NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5269 8.2227 120.1903 53.8408 41.7264 176.7617 8 L 3.8650 8.1526 121.9878 55.9878 42.2452 175.8631 9 Q 4.5741 8.8113 117.9293 54.7582 31.1154 174.3362 10 C 4.5731 8.4972 119.1246 56.6739 41.1560 173.9438 11 L 3.9904 8.7808 125.6333 58.0602 41.3788 177.2254 12 C 4.4719 8.2196 117.6785 56.5833 39.9984 173.6545 13 V 3.7701 8.3384 125.4192 64.5942 31.7658 176.1943 14 K 4.7096 7.4884 116.5209 54.9579 36.4152 176.9086 15 T 4.4879 8.1315 114.2916 62.9122 70.4934 175.5819 16 T 4.4985 7.8328 105.2859 63.1236 71.5471 174.0625 17 S 4.0906 8.2591 117.3046 59.5201 63.7713 174.2998 18 Q 4.5978 7.5962 119.5340 55.2031 32.0690 173.6274 19 V 4.1867 7.7544 120.6178 61.1381 33.5095 171.6846 20 R 4.2732 8.1435 122.3042 54.7349 30.3915 175.5172 21 P 4.2518 0.0000 0.0000 65.3697 31.4855 177.0592 22 R 4.3240 7.8858 116.3131 56.7631 29.8538 176.0276 23 H 4.8955 8.4081 115.2763 56.2233 31.2127 174.2273 24 I 4.2312 7.7045 120.0811 61.4191 37.1445 175.3472 25 T 4.1470 8.0332 123.6776 65.1609 69.3422 174.7840 26 S 4.7600 7.5414 115.5392 57.3817 64.9336 172.2202 27 L 4.6675 8.2191 125.6254 53.7119 45.1977 174.2365 28 E 4.6380 9.2982 127.5964 54.3833 32.1843 174.3692 29 V 4.5002 8.4640 127.0354 61.4012 33.2355 174.6176 30 I 4.5479 8.5643 128.8866 59.4124 39.8016 175.0661 31 K 4.7401 8.6494 127.6807 54.7251 33.8808 175.4668 32 A 4.3078 8.0814 126.2286 51.0370 19.3566 177.5521 33 G 3.7087 7.9012 103.1199 45.6736 0.0000 173.0097 34 P 4.3471 0.0000 0.0000 63.4501 30.5984 176.4324 35 H 4.7783 7.6787 112.2359 54.3474 29.9768 172.5138 36 C 5.1032 7.3705 117.9347 55.7241 45.5641 172.3697 37 P 4.5216 0.0000 0.0000 63.0641 30.4666 176.0198 38 T 4.7554 7.4945 113.6177 62.4235 72.3320 173.7649 39 A 4.3403 8.6943 127.4036 52.1600 19.4010 176.6833 40 Q 4.5890 8.9205 119.6341 54.1768 32.7677 174.9111 41 L 5.8328 7.9969 120.7365 51.5586 42.8106 175.3446 42 I 4.1863 7.9338 122.8290 61.0749 39.1261 174.7232 43 A 4.7432 9.1525 127.0060 50.6221 22.3491 175.4466 44 T 4.5163 8.2641 119.3425 62.4309 69.0448 175.3621 45 L 4.4524 8.1665 126.5366 54.0278 42.3106 178.5024 46 K 3.9646 8.3574 121.2372 58.8272 32.2688 177.1104 47 N 4.6954 7.8789 114.3637 53.0221 38.3726 176.3557 48 G 4.7402 7.4758 116.7444 45.8678 0.0000 172.9395 49 R 4.4094 7.8234 120.1334 54.3769 31.2196 176.1998 50 K 4.4379 8.5287 122.6784 56.3517 33.0184 176.2458 51 I 4.6984 8.6398 115.9852 59.3173 41.0651 173.4864 52 C 5.1445 8.2914 120.6010 55.5631 41.6901 173.9313 53 L 4.4309 8.6752 124.9149 54.4624 42.3980 175.9498 54 D 4.9350 8.3351 118.6699 51.3585 41.9793 176.6334 55 L 3.4527 8.0691 120.0622 55.3738 43.7685 176.0715 56 Q 3.2281 8.6028 115.8976 56.3144 26.7863 174.2134 57 A 4.4953 7.8059 118.5775 50.7572 21.1961 175.5733 58 P 4.2187 0.0000 0.0000 66.1287 31.4580 178.4586 59 L 4.2779 8.1823 118.7739 57.6945 41.2650 179.0245 60 Y 4.2276 7.9808 116.5291 59.7645 38.0885 177.8615 61 K 3.6635 7.1965 119.8552 59.3475 32.1019 179.1200 62 K 3.9546 7.3603 117.4544 59.4684 31.9394 179.6173 63 I 3.7187 7.8516 119.9942 64.5582 37.0269 178.5871 64 I 3.7328 8.0900 120.8960 64.3328 36.8976 178.3380 65 K 3.8949 8.1543 119.3902 59.1982 31.5487 178.7481 66 K 3.8019 8.1007 119.5450 59.8430 31.8683 178.5927 67 L 4.0201 7.7991 117.2380 58.0194 41.7103 179.2903 68 L 4.1394 7.8843 117.4424 57.6575 41.5751 179.1561 69 E 3.9965 7.8588 117.2123 59.3724 29.6069 177.3167 70 S 4.0542 7.5522 117.3121 59.0868 63.7279 172.2033 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 7 D 8.22 4.53 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.86 0.00 1.65 1.68 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.81 4.57 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 10 C 8.50 4.57 0.00 2.97 3.02 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 0.00 0.00 0.00 0.00 11 L 8.78 3.99 0.00 1.80 1.71 0.90 0.74 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 12 C 8.22 4.47 0.00 2.95 3.04 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 13 V 8.34 3.77 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 0.80 0.00 0.00 0.93 0.00 0.00 14 K 7.49 4.71 0.00 1.73 1.63 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.42 7.81 15 T 8.13 4.49 4.24 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 1.20 0.00 0.00 16 T 7.83 4.50 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 1.21 0.00 0.00 17 S 8.26 4.09 0.00 3.86 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 18 Q 7.60 4.60 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 19 V 7.75 4.19 2.10 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 0.69 0.00 0.00 0.97 0.00 0.00 20 R 8.14 4.27 0.00 1.87 1.80 0.00 3.02 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 21 P 0.00 4.25 0.00 2.07 2.12 0.00 3.71 0.00 0.00 3.72 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 22 R 7.89 4.32 0.00 1.73 1.85 0.00 3.14 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 23 H 8.41 4.90 0.00 3.41 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.70 4.23 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 1.44 0.50 0.95 0.00 0.00 25 T 8.03 4.15 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 1.22 0.00 0.00 26 S 7.54 4.76 0.00 3.90 3.71 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 27 L 8.22 4.67 0.00 1.66 1.49 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.30 4.64 0.00 2.05 1.75 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 2.18 2.21 0.00 29 V 8.46 4.50 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 0.86 0.00 0.00 0.95 0.00 0.00 30 I 8.56 4.55 1.87 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 1.10 0.75 0.92 0.00 0.00 31 K 8.65 4.74 0.00 1.76 1.70 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.43 7.81 32 A 8.08 4.31 1.21 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 33 G 7.90 3.71 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 0.00 0.00 0.00 34 P 0.00 4.35 0.00 2.06 2.08 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 35 H 7.68 4.78 0.00 3.35 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.37 5.10 0.00 3.04 2.98 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 37 P 0.00 4.52 0.00 2.19 2.10 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 38 T 7.49 4.76 4.22 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 0.00 0.00 0.00 1.18 0.00 0.00 39 A 8.69 4.34 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.92 4.59 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.49 0.00 41 L 8.00 5.83 0.00 1.49 1.49 0.81 0.80 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 42 I 7.93 4.19 1.86 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 1.27 0.61 0.91 0.00 0.00 43 A 9.15 4.74 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 44 T 8.26 4.52 4.24 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 1.26 0.00 0.00 45 L 8.17 4.45 0.00 1.96 1.59 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.36 3.96 0.00 1.89 1.86 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.45 7.81 47 N 7.88 4.70 0.00 2.85 2.89 0.00 0.00 6.78 6.88 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 48 G 7.48 4.74 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 0.00 0.00 0.00 49 R 7.82 4.41 0.00 1.91 1.85 0.00 3.17 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 50 K 8.53 4.44 0.00 1.74 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.42 7.81 51 I 8.64 4.70 1.87 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 1.23 1.27 0.91 0.00 0.00 52 C 8.29 5.14 0.00 2.93 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 53 L 8.68 4.43 0.00 1.53 1.66 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.34 4.94 0.00 2.71 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 55 L 8.07 3.45 0.00 1.54 1.46 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.60 3.23 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 57 A 7.81 4.50 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 58 P 0.00 4.22 0.00 2.21 2.32 0.00 3.76 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 2.09 2.02 0.00 59 L 8.18 4.28 0.00 1.77 1.86 1.01 0.84 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 60 Y 7.98 4.23 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.20 3.66 0.00 1.56 1.76 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.75 1.16 7.81 62 K 7.36 3.95 0.00 1.96 1.83 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.64 7.81 63 I 7.85 3.72 1.92 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 1.85 0.91 0.94 0.00 0.00 64 I 8.09 3.73 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 0.94 0.00 0.00 65 K 8.15 3.89 0.00 2.00 1.83 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.69 7.81 66 K 8.10 3.80 0.00 1.87 1.99 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.56 7.81 67 L 7.80 4.02 0.00 1.93 1.72 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.88 4.14 0.00 1.89 1.74 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.86 4.00 0.00 1.95 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 0.00 2.34 2.52 0.00 70 S 7.55 4.05 0.00 3.99 3.82 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