NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4475 8.1844 120.6264 54.3253 43.2548 176.0985 2 C 4.1444 9.0625 123.5915 59.3837 31.8262 172.3670 3 L 4.7356 8.3745 126.4479 54.5613 41.8827 176.0446 4 V 4.2381 7.2774 115.3568 63.1491 34.1619 175.7593 5 C 4.5292 7.7821 113.3358 57.7364 30.5699 174.3128 6 S 3.9861 7.7518 112.4136 59.7542 60.0078 169.6379 7 D 4.8937 7.2151 118.8971 51.6609 44.7804 173.8936 8 E 4.2835 8.5741 120.5383 56.0818 29.2667 177.0386 9 A 4.3305 8.3525 127.7078 51.6203 19.5344 177.2447 10 S 4.3157 8.6936 116.1253 59.1336 63.8777 174.8186 11 G 4.1025 6.5646 110.3294 45.0832 0.0000 171.8336 12 C 4.5270 8.2524 114.8110 58.1936 30.7234 172.9500 13 H 4.4529 8.5029 116.7798 56.3276 34.1128 172.2377 14 Y 4.1912 8.4678 123.0613 59.0020 34.4704 172.0161 15 G 3.9785 9.1850 119.2559 46.6856 0.0000 172.9218 16 V 4.4574 7.1652 118.3681 60.7597 36.0509 173.9620 17 L 4.2380 8.4926 125.8105 55.2634 41.2535 175.3723 18 T 5.0575 8.1928 116.1638 59.7965 72.9586 172.8776 19 C 4.6193 8.3658 116.3351 57.8716 31.4956 173.1309 20 G 3.7616 8.7040 106.0248 49.1093 0.0000 176.2435 21 S 4.4329 8.0224 116.2828 61.3916 62.8866 176.2834 22 C 4.5137 8.1126 118.6460 62.3575 27.9708 175.2584 23 K 4.2184 7.7577 122.6409 59.5532 31.6726 178.8129 24 V 3.7493 7.8543 117.8159 65.8420 31.5841 177.7590 25 F 4.3554 8.6171 120.5196 61.5420 39.1490 176.9577 26 F 4.0196 8.3051 119.7089 61.1803 39.0408 177.0490 27 K 3.6769 8.1931 118.9484 59.0028 31.7124 179.1272 28 R 3.9627 7.6865 118.6108 58.9184 29.9973 178.4445 29 A 3.6656 7.6870 118.5421 54.0678 18.2446 178.0059 30 V 3.8020 6.9365 114.9813 62.8304 33.8447 176.1494 31 E 4.4197 7.4367 119.6708 53.7900 28.9103 175.2523 32 G 4.0445 7.0867 106.6894 46.1848 0.0000 170.9086 33 Q 4.3410 8.5194 118.2613 54.4779 31.0951 174.5100 34 H 4.5318 7.6755 115.9624 54.4624 33.0202 173.6253 35 N 4.8928 7.3089 117.1145 52.1467 39.6426 173.2699 36 Y 5.0003 7.4077 115.8867 55.9058 41.3918 175.6480 37 L 4.7532 8.1465 123.1530 53.9920 44.2584 176.7604 38 C 4.9649 8.2659 120.1317 59.3679 30.4144 174.3099 39 A 4.5138 8.1982 121.6384 53.2399 19.7501 179.4921 40 G 4.2496 7.8285 101.9954 45.9695 0.0000 173.1139 41 R 4.1432 7.9215 115.6592 53.3781 32.7458 175.2797 42 N 4.1445 8.9482 118.8552 55.0787 37.1719 171.9115 43 D 4.7852 7.8147 119.6559 54.9502 41.8096 177.5842 44 C 4.2215 7.9280 114.3436 57.6021 30.1033 172.6698 45 I 4.2639 8.0988 122.5147 60.0168 38.1689 175.1951 46 I 4.4126 8.1981 125.7420 59.6217 38.7729 174.4459 47 D 4.4983 7.9907 125.2527 52.4244 41.2466 175.2964 48 K 4.1110 8.7564 118.7850 59.0704 32.8947 177.6916 49 I 4.3245 7.5004 115.6197 63.2892 39.3420 177.4886 50 R 4.2745 7.8057 116.6426 56.9908 30.0165 178.1750 51 R 4.0804 7.7446 116.5496 58.0315 29.5966 177.9166 52 K 4.0939 7.4081 117.1346 58.1869 32.3139 177.9987 53 N 4.6521 7.6809 115.8910 54.3807 38.8824 175.1123 54 C 4.5382 7.1634 117.6479 58.2245 34.9236 171.3970 55 P 4.5329 0.0000 0.0000 62.6003 31.8120 175.8709 56 A 4.6702 7.9674 122.6384 55.2994 20.3036 180.0064 57 C 4.2119 8.1553 113.1941 63.1809 28.0649 176.4708 58 R 3.9452 8.0336 119.1380 59.3274 29.3181 178.2648 59 Y 4.5876 8.2613 119.3752 60.7986 38.8379 177.8650 60 R 3.8647 8.0804 118.7019 58.7823 30.3359 178.8427 61 K 3.9327 8.3910 119.9742 59.6603 32.3126 178.7782 62 C 4.1477 8.0875 114.8130 61.2991 28.9513 175.8729 63 L 3.9095 7.5744 121.2937 57.6447 40.9551 179.4394 64 Q 4.0349 7.7444 116.5463 58.7359 28.6556 178.2868 65 A 4.1861 7.5090 121.0014 54.6702 18.3676 177.6934 66 G 3.9999 7.2198 104.7964 45.8879 0.0000 174.0728 67 M 4.0598 7.7003 119.6545 55.0955 32.2265 175.8462 68 N 4.8283 8.3919 117.4756 53.2620 41.9708 174.0770 69 L 4.3549 8.8552 126.9534 55.0127 42.5372 177.3570 70 E 4.9142 7.7772 113.3999 55.4914 32.5789 174.5050 71 A 4.7958 7.2462 128.0897 51.5936 19.0122 177.2944 72 R 4.1674 8.4979 118.9822 59.0728 29.9617 174.2844 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 L 8.18 4.45 0.00 1.64 1.66 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 2 C 9.06 4.14 0.00 2.97 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 3 L 8.37 4.74 0.00 1.60 1.62 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.28 4.24 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 0.90 0.00 0.00 0.93 0.00 0.00 5 C 7.78 4.53 0.00 3.20 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 6 S 7.75 3.99 0.00 3.93 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 7 D 7.22 4.89 0.00 2.83 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.57 4.28 0.00 1.99 1.90 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 2.30 2.29 0.00 9 A 8.35 4.33 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 10 S 8.69 4.32 0.00 3.98 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 11 G 6.56 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.25 4.53 0.00 3.16 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.50 4.45 0.00 2.91 2.48 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.47 4.19 0.00 3.24 2.55 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 15 G 9.19 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.17 4.46 2.02 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 0.87 0.00 0.00 0.89 0.00 0.00 17 L 8.49 4.24 0.00 1.80 1.55 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.19 5.06 4.27 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 1.20 0.00 0.00 19 C 8.37 4.62 0.00 3.10 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 20 G 8.70 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 21 S 8.02 4.43 0.00 3.86 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 22 C 8.11 4.51 0.00 3.03 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 23 K 7.76 4.22 0.00 1.95 1.99 0.00 1.44 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.48 1.05 7.81 24 V 7.85 3.75 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.06 0.00 0.00 25 F 8.62 4.36 0.00 3.35 3.29 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 26 F 8.31 4.02 0.00 3.38 3.45 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 27 K 8.19 3.68 0.00 1.82 1.85 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.32 7.81 28 R 7.69 3.96 0.00 2.16 1.94 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 29 A 7.69 3.67 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.94 3.80 1.59 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 0.62 0.00 0.00 -0.16 0.00 0.00 31 E 7.44 4.42 0.00 1.91 1.81 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 2.18 2.07 0.00 32 G 7.09 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 0.00 0.00 0.00 33 Q 8.52 4.34 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.66 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 34 H 7.68 4.53 0.00 2.32 2.12 0.00 5.87 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 35 N 7.31 4.89 0.00 2.56 2.66 0.00 0.00 6.66 7.38 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 36 Y 7.41 5.00 0.00 3.04 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 37 L 8.15 4.75 0.00 1.65 1.62 0.95 0.92 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 38 C 8.27 4.96 0.00 2.98 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 39 A 8.20 4.51 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 40 G 7.83 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 0.00 0.00 0.00 0.00 41 R 7.92 4.14 0.00 1.79 1.87 0.00 3.67 0.00 0.00 3.17 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 42 N 8.95 4.14 0.00 2.87 2.90 0.00 0.00 6.78 8.49 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 43 D 7.81 4.79 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 7.93 4.22 0.00 3.10 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 45 I 8.10 4.26 1.86 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 1.41 0.86 0.90 0.00 0.00 46 I 8.20 4.41 1.86 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 1.53 0.38 0.93 0.00 0.00 47 D 7.99 4.50 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 4.11 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.59 7.81 49 I 7.50 4.32 1.85 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 1.28 1.09 0.90 0.00 0.00 50 R 7.81 4.27 0.00 2.03 2.01 0.00 3.11 0.00 0.00 3.38 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 51 R 7.74 4.08 0.00 1.87 2.28 0.00 3.16 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 52 K 7.41 4.09 0.00 1.82 1.88 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.43 7.81 53 N 7.68 4.65 0.00 2.83 2.86 0.00 0.00 6.69 7.46 0.00 0.00 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 C 7.16 4.54 0.00 3.02 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 55 P 0.00 4.53 0.00 1.75 1.87 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 1.90 1.94 0.00 56 A 7.97 4.67 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 4.21 0.00 2.99 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 58 R 8.03 3.95 0.00 1.74 1.84 0.00 2.81 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 59 Y 8.26 4.59 0.00 3.25 3.32 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 0.00 60 R 8.08 3.86 0.00 2.06 1.97 0.00 3.26 0.00 0.00 3.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 61 K 8.39 3.93 0.00 2.02 2.00 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.48 7.81 62 C 8.09 4.15 0.00 3.11 3.28 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 0.00 0.00 0.00 0.00 63 L 7.57 3.91 0.00 1.75 1.64 0.24 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.74 4.03 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 65 A 7.51 4.19 1.32 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 0.00 0.00 0.00 66 G 7.22 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 67 M 7.70 4.06 0.00 0.71 1.43 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 68 N 8.39 4.83 0.00 2.77 2.69 0.00 0.00 6.88 6.71 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 69 L 8.86 4.35 0.00 1.25 1.40 0.27 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.78 4.91 0.00 1.98 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 2.26 2.23 0.00 71 A 7.25 4.80 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 72 R 8.50 4.17 0.00 1.76 1.76 0.00 3.28 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00