NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5139 8.3244 119.4041 56.6308 40.5131 173.5376 2 K 3.5750 8.3576 124.0285 55.7321 31.2142 173.5495 3 D 4.4155 9.4730 127.5162 53.9570 41.8711 175.7840 4 P 4.1474 0.0000 0.0000 65.5287 31.1543 177.4149 5 N 4.0969 7.2115 115.2775 55.1017 38.7415 173.9589 6 A 3.0044 7.3070 131.4215 51.5873 18.3880 174.5730 7 P 4.9762 0.0000 0.0000 62.2885 33.5168 174.7840 8 K 4.7096 8.5442 115.7971 55.4930 36.0419 175.7199 9 R 4.0385 8.3242 121.5518 53.6062 31.8397 174.7074 10 P 4.4253 0.0000 0.0000 62.3076 32.4865 175.7921 11 P 4.6168 0.0000 0.0000 62.8244 32.3802 175.4912 12 S 4.4309 8.5294 111.2565 57.5336 63.7093 175.4108 13 A 4.0735 8.8214 129.3234 55.4897 18.4137 179.2298 14 F 2.4946 7.7025 115.4747 58.6885 39.5648 176.9108 15 F 4.1204 8.4188 122.8622 61.6940 38.8741 176.8710 16 L 3.9779 7.2975 117.0631 56.9418 41.5816 178.6089 17 F 3.9208 7.2295 120.4199 60.6327 39.5773 176.2820 18 C 3.5561 7.5411 118.5461 62.8333 30.9403 175.4416 19 S 3.8605 6.9402 112.7215 61.4008 61.8275 176.0710 20 E 3.9224 7.5562 120.4557 58.9582 29.6598 177.4779 21 Y 4.1986 7.2385 114.2597 58.1643 38.9485 177.1657 22 R 4.1769 7.6237 123.1709 58.1470 30.4229 176.2977 23 P 4.3150 0.0000 0.0000 65.2489 31.2602 178.3227 24 K 3.8537 7.9292 118.0970 59.4352 32.0398 178.9283 25 I 3.8328 7.6487 112.5594 64.0731 37.6935 177.8180 26 K 4.2201 7.9317 121.5589 58.4943 31.9212 178.5701 27 G 3.7517 8.1698 105.8422 47.8743 0.0000 174.9710 28 E 4.3324 7.7203 117.8844 56.3144 31.2980 177.1220 29 H 4.9342 8.0808 116.5104 53.6225 29.2474 173.0215 30 P 4.8151 0.0000 0.0000 62.4362 31.0420 178.4974 31 G 4.2085 8.5362 105.7229 46.4238 0.0000 173.9579 32 L 4.2456 8.0081 119.3212 54.1009 42.5474 177.3551 33 S 4.6798 8.3020 116.5016 57.3129 65.8584 175.3058 34 I 3.7853 8.5753 124.7548 64.7393 36.7740 178.9194 35 G 3.5547 7.9918 105.9755 47.7870 0.0000 175.1393 36 D 4.3215 8.1741 121.3868 56.9383 41.2839 177.9995 37 V 3.5845 8.1568 118.7688 66.5530 31.2367 177.9331 38 A 4.3097 7.7740 119.4060 55.1925 18.4936 179.3651 39 K 4.0365 8.6673 117.6805 59.4052 32.0839 179.1397 40 K 3.8863 8.4595 119.6079 59.9203 32.1225 178.8455 41 L 4.3225 8.2037 119.0918 57.9750 41.5377 179.8436 42 G 3.6672 8.5830 105.8568 47.6209 0.0000 175.7432 43 E 3.9468 8.0477 120.3428 59.6387 29.4842 178.8978 44 M 4.0282 8.1039 117.5983 58.3542 32.3466 178.3224 45 W 3.8602 8.1223 129.5888 59.8754 30.5717 177.3849 46 N 4.0249 8.5267 115.9093 56.7476 38.1768 176.8271 47 N 4.4865 8.3958 116.3574 54.4645 39.0161 175.9899 48 T 3.7036 7.5288 118.3279 63.3894 69.1997 173.3747 49 A 4.0050 8.6742 128.5249 52.4939 19.2843 177.7383 50 A 3.8997 8.7690 123.7393 55.6212 18.0665 179.8135 51 D 4.4352 8.0421 115.3318 56.9663 41.1491 177.2991 52 D 4.4367 8.2523 118.0450 55.6177 41.4747 177.8654 53 K 4.4456 7.8310 118.4781 57.6493 32.1465 178.4896 54 Q 4.3299 7.4615 120.4829 58.1360 28.6772 177.2180 55 P 4.1537 0.0000 0.0000 66.2350 31.3097 178.1017 56 Y 4.2552 7.8895 114.9113 60.9711 37.9337 177.7163 57 E 4.1201 8.7415 118.4355 59.6228 29.3630 179.0236 58 K 3.9239 8.6074 119.8568 58.9603 32.4561 178.2121 59 K 4.0286 8.2268 119.6567 59.7329 32.1640 178.3274 60 A 4.0024 8.2813 120.6552 55.4780 18.2102 179.4958 61 A 4.0536 8.1498 118.9526 54.8973 17.8315 180.1313 62 K 3.9560 8.2365 117.7838 59.6435 32.2195 179.5071 63 L 4.1892 7.8741 118.8587 57.8341 39.9642 178.9787 64 K 3.9705 7.9585 121.4687 59.7511 32.0404 178.4373 65 E 4.0618 8.1207 117.4472 59.3731 29.3674 179.0531 66 K 4.1706 7.5714 118.1725 59.1898 32.6805 177.5845 67 Y 4.0519 8.7672 118.6909 59.7092 37.9778 177.2137 68 E 3.9729 7.2221 122.6501 58.7436 30.3641 178.9847 69 K 4.0293 8.2226 120.0457 59.1159 32.7177 177.4882 70 D 4.7841 7.7572 116.3996 54.6649 41.9901 178.3962 71 I 3.7061 7.5841 120.2317 63.9064 36.8218 177.5483 72 A 3.8823 7.1705 121.3200 55.0668 18.0736 178.8086 73 A 4.3233 7.5957 117.4194 53.6479 19.6957 176.9259 74 Y 4.4854 7.8790 117.8935 57.7273 39.8137 174.1419 75 R 4.4510 6.3413 117.3623 54.6951 31.7600 174.7545 76 A 4.3179 7.8519 120.4956 51.7510 21.5625 176.6685 77 K 4.1466 8.3700 121.7999 56.9370 33.2745 176.3231 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 F 8.32 4.51 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 3.58 0.00 1.78 1.80 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 D 9.47 4.42 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 4.15 0.00 2.01 2.10 0.00 3.69 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 2.03 2.11 0.00 5 N 7.21 4.10 0.00 2.56 2.88 0.00 0.00 7.07 7.27 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 6 A 7.31 3.00 1.13 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 0.00 0.00 7 P 0.00 4.98 0.00 2.22 1.88 0.00 3.02 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.77 0.00 8 K 8.54 4.71 0.00 1.77 1.73 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.42 7.81 9 R 8.32 4.04 0.00 1.70 1.58 0.00 3.35 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 10 P 0.00 4.43 0.00 2.03 1.98 0.00 3.51 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 11 P 0.00 4.62 0.00 2.28 1.96 0.00 3.83 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 2.20 2.20 0.00 12 S 8.53 4.43 0.00 3.94 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 13 A 8.82 4.07 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.70 2.49 0.00 1.51 1.88 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 15 F 8.42 4.12 0.00 3.14 3.20 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 16 L 7.30 3.98 0.00 2.10 1.94 1.09 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.23 3.92 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.54 3.56 0.00 2.25 2.50 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 19 S 6.94 3.86 0.00 3.58 3.68 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 20 E 7.56 3.92 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 2.20 1.60 0.00 21 Y 7.24 4.20 0.00 2.27 2.82 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 22 R 7.62 4.18 0.00 1.98 1.81 0.00 3.01 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 23 P 0.00 4.32 0.00 2.24 2.22 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 24 K 7.93 3.85 0.00 1.81 1.91 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.17 7.81 25 I 7.65 3.83 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.88 0.97 0.00 0.00 26 K 7.93 4.22 0.00 1.85 1.96 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.53 7.81 27 G 8.17 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.72 4.33 0.00 2.01 1.93 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 2.33 2.50 0.00 29 H 8.08 4.93 0.00 3.30 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.82 0.00 2.18 2.14 0.00 3.74 0.00 0.00 3.80 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 31 G 8.54 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 0.00 0.00 0.00 0.00 32 L 8.01 4.25 0.00 1.67 1.63 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.30 4.68 0.00 4.05 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 34 I 8.58 3.79 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.28 0.95 0.00 0.00 35 G 7.99 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.17 4.32 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.58 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.00 0.00 0.00 38 A 7.77 4.31 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 39 K 8.67 4.04 0.00 2.01 1.87 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 40 K 8.46 3.89 0.00 1.85 1.88 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.54 7.81 41 L 8.20 4.32 0.00 2.26 1.84 0.88 1.01 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 42 G 8.58 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 43 E 8.05 3.95 0.00 2.23 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 2.42 2.36 0.00 44 M 8.10 4.03 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 45 W 8.12 3.86 0.00 2.45 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.53 4.02 0.00 2.91 2.83 0.00 0.00 7.39 7.98 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 47 N 8.40 4.49 0.00 2.81 2.83 0.00 0.00 7.10 7.41 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 48 T 7.53 3.70 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 1.24 0.00 0.00 49 A 8.67 4.01 1.29 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 50 A 8.77 3.90 1.27 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 0.00 0.00 51 D 8.04 4.44 0.00 2.79 2.67 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 52 D 8.25 4.44 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.45 0.00 1.93 1.79 0.00 1.28 0.00 0.00 0.87 0.00 0.00 2.13 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.60 1.21 7.81 54 Q 7.46 4.33 0.00 2.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 55 P 0.00 4.15 0.00 1.65 1.95 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 56 Y 7.89 4.26 0.00 3.55 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 57 E 8.74 4.12 0.00 2.31 2.38 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 2.53 2.40 0.00 58 K 8.61 3.92 0.00 1.81 2.07 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.52 7.81 59 K 8.23 4.03 0.00 2.06 2.00 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.49 7.81 60 A 8.28 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.96 0.00 2.03 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 63 L 7.87 4.19 0.00 1.96 1.97 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.96 3.97 0.00 2.05 2.03 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.49 7.81 65 E 8.12 4.06 0.00 2.19 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 2.39 2.56 0.00 66 K 7.57 4.17 0.00 1.82 2.01 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.62 7.81 67 Y 8.77 4.05 0.00 3.16 2.95 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 68 E 7.22 3.97 0.00 2.18 2.09 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 2.57 2.64 0.00 69 K 8.22 4.03 0.00 1.90 1.96 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.53 7.81 70 D 7.76 4.78 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.58 3.71 1.70 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.36 0.89 0.00 0.00 72 A 7.17 3.88 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 73 A 7.60 4.32 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 74 Y 7.88 4.49 0.00 2.70 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 75 R 6.34 4.45 0.00 1.70 1.71 0.00 2.97 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.05 0.00 76 A 7.85 4.32 1.16 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 0.00 0.00 77 K 8.37 4.15 0.00 1.66 1.62 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.33 7.81