NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2641 8.0385 120.6295 54.6948 43.7940 178.0043 2 A 3.7413 8.2170 119.7891 52.5801 18.7494 175.4450 3 A 3.8129 8.1127 119.3798 52.6469 17.6517 176.3280 4 V 3.9387 7.5625 114.7561 62.5683 32.5258 176.7256 5 S 4.6744 8.4248 118.6356 57.1748 66.8925 173.8346 6 V 4.4647 8.0239 116.0116 59.4478 34.6531 175.0726 7 D 4.6589 8.6754 122.6426 54.0003 40.8703 176.6416 8 C 5.0180 8.5886 125.1351 56.7984 36.5895 175.5340 9 S 4.0870 8.0730 115.7722 60.5399 62.9812 175.0413 10 E 4.5273 8.3627 119.4725 56.2713 29.3103 174.9620 11 Y 4.4323 7.4563 117.1320 55.5115 39.9224 173.9443 12 P 5.0203 0.0000 0.0000 61.8816 31.7324 175.2059 13 K 4.5707 8.8889 118.4696 53.6931 34.5297 176.1946 14 P 4.4240 0.0000 0.0000 64.6808 31.6129 176.2971 15 A 4.8405 7.3085 118.3974 50.2031 21.8264 174.3201 16 C 5.1565 8.4984 117.4718 54.9737 43.2389 174.5551 17 T 4.3173 8.3918 113.0776 61.9062 69.1502 173.8836 18 L 4.7290 8.2242 121.1011 54.6689 42.3160 176.8403 19 E 4.2735 8.1260 115.8382 55.8724 30.7383 175.3371 20 Y 4.7818 8.4164 121.6407 56.5719 39.0658 175.5346 21 R 4.4774 8.1697 127.1925 53.2288 31.6704 173.0788 22 P 4.7523 0.0000 0.0000 62.5793 33.3339 175.6082 23 L 4.7410 8.6519 120.3767 53.1322 45.7816 174.5591 24 C 5.0169 8.9810 124.9240 55.0343 44.1714 173.5651 25 G 4.5790 9.2797 114.9329 45.4402 0.0000 174.2772 26 S 4.4603 9.5411 114.3592 59.3048 63.0990 174.7470 27 D 4.6089 8.1059 119.5772 53.0548 39.6693 175.9030 28 N 4.3172 8.3445 116.4343 54.6037 36.5883 173.7596 29 K 4.6234 8.3249 116.8103 54.9609 35.0198 175.8448 30 T 4.7111 8.2719 120.5213 63.3496 69.3042 173.9451 31 Y 4.2370 9.2609 125.3692 56.7218 39.6718 177.4789 32 G 3.7431 8.8784 111.3369 48.5391 0.0000 173.0060 33 N 5.8105 7.6889 114.6028 50.9893 39.9554 174.6781 34 K 3.9369 8.7737 117.9575 59.8503 31.9145 178.9845 35 C 4.5722 8.2764 118.2144 59.8308 39.9559 174.9599 36 N 4.2985 8.6828 118.6751 56.5495 38.5078 176.5796 37 F 3.6721 8.4107 122.1203 61.3914 39.6065 176.3106 38 C 3.6079 8.9992 117.0407 60.1134 34.4879 176.0647 39 N 4.2500 8.2502 117.6450 56.3016 38.0736 177.3081 40 A 3.9528 7.5737 122.2800 54.8281 18.5068 179.9125 41 V 3.1825 7.0373 117.0346 65.9736 31.5934 178.5279 42 V 3.5886 7.4972 117.5147 65.5313 31.1274 177.2606 43 E 4.1485 7.7521 118.0282 57.8460 29.4845 177.6077 44 S 4.3345 7.9062 113.0672 57.9091 63.2773 173.8432 45 N 3.9830 8.7819 119.4714 55.1043 37.9914 174.6680 46 G 4.0266 7.8561 105.5612 45.3114 0.0000 176.1244 47 T 4.0285 7.2856 106.6770 62.2626 68.7987 173.7825 48 L 4.4121 7.2386 124.6693 53.9444 43.0546 175.5074 49 T 4.6762 8.2033 116.0632 59.5470 72.3034 172.9196 50 L 4.2598 8.3322 124.1422 55.1468 42.0306 176.4243 51 S 4.4130 9.0888 123.7712 60.4054 63.7521 173.7782 52 H 4.3499 7.1542 112.1965 55.0673 30.9928 172.7729 53 F 4.4188 8.8897 118.2693 58.3255 39.5122 175.8340 54 G 3.8606 8.5230 110.2349 44.1798 0.0000 173.2597 55 K 4.2460 8.0755 117.4211 56.1401 32.6838 178.2676 56 C 4.5555 8.7393 117.6612 57.5181 41.0528 173.9280 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 8.04 4.26 0.00 1.70 1.79 0.92 0.56 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 2 A 8.22 3.74 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 3.81 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 4 V 7.56 3.94 1.91 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 0.92 0.00 0.00 0.87 0.00 0.00 5 S 8.42 4.67 0.00 3.85 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 6 V 8.02 4.46 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 0.64 0.00 0.00 1.05 0.00 0.00 7 D 8.68 4.66 0.00 2.66 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 8 C 8.59 5.02 0.00 2.92 2.94 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 9 S 8.07 4.09 0.00 4.08 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 0.00 10 E 8.36 4.53 0.00 1.78 1.80 0.00 0.00 0.00 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 2.34 0.00 11 Y 7.46 4.43 0.00 3.10 2.87 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 0.00 12 P 0.00 5.02 0.00 2.21 2.10 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 13 K 8.89 4.57 0.00 1.77 1.63 0.00 1.34 0.00 0.00 1.51 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 0.52 7.81 14 P 0.00 4.42 0.00 2.18 2.19 0.00 3.67 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 1.98 1.95 0.00 15 A 7.31 4.84 1.22 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 0.00 0.00 0.00 16 C 8.50 5.16 0.00 3.00 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 17 T 8.39 4.32 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 18 L 8.22 4.73 0.00 1.68 1.75 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.13 4.27 0.00 2.12 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 2.30 2.27 0.00 20 Y 8.42 4.78 0.00 2.89 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 21 R 8.17 4.48 0.00 1.69 1.71 0.00 3.29 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 22 P 0.00 4.75 0.00 1.90 1.90 0.00 3.22 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.40 0.00 23 L 8.65 4.74 0.00 1.34 0.83 0.47 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.98 5.02 0.00 2.74 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.28 4.58 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 0.00 26 S 9.54 4.46 0.00 3.95 4.07 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 0.00 0.00 0.00 27 D 8.11 4.61 0.00 2.87 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 28 N 8.34 4.32 0.00 2.89 3.00 0.00 0.00 6.81 7.43 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 29 K 8.32 4.62 0.00 1.74 1.41 0.00 1.82 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.41 7.81 30 T 8.27 4.71 4.23 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 1.27 0.00 0.00 31 Y 9.26 4.24 0.00 3.09 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 32 G 8.88 3.74 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 33 N 7.69 5.81 0.00 2.96 3.12 0.00 0.00 6.36 6.93 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 34 K 8.77 3.94 0.00 1.89 1.92 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.51 7.81 35 C 8.28 4.57 0.00 3.23 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.68 4.30 0.00 2.97 3.12 0.00 0.00 6.92 7.11 0.00 0.00 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 F 8.41 3.67 0.00 3.01 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 38 C 9.00 3.61 0.00 1.39 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 4.25 0.00 2.84 2.91 0.00 0.00 6.91 6.94 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 40 A 7.57 3.95 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 41 V 7.04 3.18 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 0.77 0.00 0.00 -0.16 0.00 0.00 42 V 7.50 3.59 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 0.94 0.00 0.00 0.97 0.00 0.00 43 E 7.75 4.15 0.00 2.06 1.91 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 2.30 2.30 0.00 44 S 7.91 4.33 0.00 4.06 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 45 N 8.78 3.98 0.00 2.83 2.88 0.00 0.00 7.38 8.09 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 46 G 7.86 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 0.00 0.00 0.00 47 T 7.29 4.03 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 1.26 0.00 0.00 48 L 7.24 4.41 0.00 1.61 1.40 1.03 0.30 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 49 T 8.20 4.68 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 1.20 0.00 0.00 50 L 8.33 4.26 0.00 1.44 1.44 0.13 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.09 4.41 0.00 3.88 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 52 H 7.15 4.35 0.00 3.19 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.89 4.42 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.52 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.08 4.25 0.00 1.82 1.81 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.57 7.81 56 C 8.74 4.56 0.00 2.97 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