NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1837 8.2549 119.6876 54.8914 31.7274 175.0359 2 P 4.0232 0.0000 0.0000 62.1495 31.8213 176.4046 3 D 4.4133 8.4069 121.7962 56.9811 41.7230 178.5747 4 F 4.3690 7.9099 114.6793 59.6065 37.6239 177.7404 5 C 4.7124 7.6282 116.4328 59.0539 40.0414 174.6399 6 L 4.3736 7.7663 118.8176 53.9302 42.0724 176.4137 7 E 4.3366 7.5968 119.4597 54.7025 30.3091 174.9821 8 P 4.3822 0.0000 0.0000 61.5171 32.0943 174.3804 9 P 3.5676 0.0000 0.0000 62.7235 31.3346 175.2145 10 Y 4.6485 7.8026 121.0065 56.1077 40.5572 175.4073 11 T 4.1601 8.2993 125.2535 65.0628 68.8735 176.0142 12 G 3.7117 6.8201 105.1366 44.0475 0.0000 171.1348 13 P 4.3668 0.0000 0.0000 64.3465 32.0888 177.6107 14 C 4.5147 7.8418 116.8361 56.9810 40.7641 173.2621 15 L 4.7414 8.0741 119.7259 54.6949 41.6806 176.7961 16 A 4.3163 7.7290 121.6066 50.8998 20.9759 177.7938 17 R 4.7455 7.9566 116.6601 54.6283 29.3799 173.2747 18 I 4.3714 8.3040 122.3084 59.2811 39.6701 175.6035 19 I 4.1930 8.2830 128.4947 61.2721 37.7554 175.4389 20 R 4.8485 8.3381 124.9287 54.6974 35.0914 173.4659 21 Y 5.6837 9.4850 117.6687 56.5281 41.2538 175.3391 22 F 5.7571 9.4810 117.0434 55.3934 42.1067 172.8498 23 Y 4.4746 10.1062 122.4872 57.0308 40.2694 173.9644 24 N 4.8107 8.0541 125.8461 51.3303 38.7609 174.7342 25 A 3.9212 8.2349 129.2918 54.7442 18.7860 178.9513 26 K 4.0538 8.1141 114.7558 58.6538 32.2006 177.8141 27 A 4.3437 7.9480 119.4943 51.3883 20.4092 177.6281 28 G 4.0640 8.4064 103.4012 45.1470 0.0000 172.7763 29 L 4.9496 7.0038 117.9457 52.7448 46.3447 175.8672 30 C 4.9791 8.6625 117.6484 56.2717 40.7626 173.2063 31 Q 4.9048 8.5359 121.4999 54.0859 32.8005 174.7177 32 T 4.8479 8.4473 110.7528 61.5539 70.5852 173.6249 33 F 4.9973 8.7694 116.6575 56.0542 41.9757 172.8455 34 V 4.3557 8.4214 119.8841 62.0097 32.3976 174.1562 35 Y 4.8077 8.7827 129.9818 55.9416 40.4215 176.5431 36 G 3.7223 8.3153 113.5904 46.4525 0.0000 175.0581 37 G 3.7686 6.2014 107.2778 45.2513 0.0000 172.4861 38 C 4.9760 6.8233 112.0402 54.7601 44.6836 173.1825 39 R 3.8406 8.8616 116.4969 57.0926 27.0520 176.8433 40 A 4.2396 8.3586 119.3296 52.4524 18.9828 178.5635 41 K 4.3159 8.3261 121.2035 55.1142 33.7020 177.3721 42 R 3.4729 7.9787 117.9483 58.8376 30.3789 177.5702 43 N 4.8350 7.7232 118.0507 51.4699 37.4815 174.3397 44 N 5.1508 6.6430 116.5809 52.7373 41.7898 173.1010 45 F 5.0413 9.5458 124.6644 55.6269 42.5539 176.4438 46 K 4.4535 8.8629 121.8977 58.1835 32.8215 177.8184 47 S 4.5058 7.7795 112.7829 55.4526 67.3093 174.6042 48 A 3.3700 7.3035 124.6232 54.8396 18.0630 179.7810 49 E 3.7258 7.7770 117.3999 59.5111 29.6725 178.5527 50 D 4.2765 7.9645 118.8218 57.4524 40.8592 178.0208 51 C 2.4500 7.5345 118.2648 59.1109 42.9669 175.7193 52 L 3.7891 7.9385 120.8344 57.7341 40.9246 179.6830 53 R 3.9499 7.8975 117.0992 58.5836 30.0125 178.1745 54 T 4.3668 7.1329 114.0878 64.2304 69.7874 174.6704 55 C 4.5284 8.2057 115.8543 55.6316 42.1935 174.1029 56 G 3.7888 7.2757 109.2471 47.3710 0.0000 174.1672 57 G 3.8649 8.9069 111.9689 45.0474 0.0000 173.1446 58 A 4.0657 7.2546 127.2086 52.4219 18.2417 177.2688 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 R 8.25 4.18 0.00 1.65 1.69 0.00 3.34 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 2 P 0.00 4.02 0.00 0.63 1.51 0.00 3.22 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 3 D 8.41 4.41 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.91 4.37 0.00 3.20 3.34 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 0.00 5 C 7.63 4.71 0.00 2.97 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 6 L 7.77 4.37 0.00 1.75 1.76 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.60 4.34 0.00 2.17 1.89 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 2.42 2.44 0.00 8 P 0.00 4.38 0.00 2.06 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.57 0.00 0.77 0.49 0.00 3.22 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.00 10 Y 7.80 4.65 0.00 2.78 2.89 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 11 T 8.30 4.16 4.11 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 0.00 0.00 0.00 1.17 0.00 0.00 12 G 6.82 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 13 P 0.00 4.37 0.00 2.18 2.19 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.84 4.51 0.00 2.86 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 15 L 8.07 4.74 0.00 1.56 1.60 0.88 0.73 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 16 A 7.73 4.32 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 4.75 0.00 1.72 1.75 0.00 3.19 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.30 4.37 2.01 0.00 0.00 0.78 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 0.61 0.97 0.00 0.00 19 I 8.28 4.19 1.80 0.00 0.00 0.83 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 0.40 0.68 0.00 0.00 20 R 8.34 4.85 0.00 0.79 1.88 0.00 3.42 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 21 Y 9.48 5.68 0.00 3.16 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 22 F 9.48 5.76 0.00 3.10 2.92 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 0.00 0.00 0.00 23 Y 10.11 4.47 0.00 3.09 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 24 N 8.05 4.81 0.00 2.36 2.45 0.00 0.00 6.72 8.89 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 25 A 8.23 3.92 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 26 K 8.11 4.05 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.39 7.81 27 A 7.95 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 28 G 8.41 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.00 4.95 0.00 1.49 1.46 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.66 4.98 0.00 2.86 3.10 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 31 Q 8.54 4.90 0.00 1.42 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 32 T 8.45 4.85 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 33 F 8.77 5.00 0.00 3.04 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 34 V 8.42 4.36 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 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 8.78 4.81 0.00 2.49 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 36 G 8.32 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 0.00 0.00 0.00 37 G 6.20 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.82 4.98 0.00 3.05 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 39 R 8.86 3.84 0.00 2.26 2.25 0.00 3.27 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.36 4.24 0.88 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 0.00 0.00 41 K 8.33 4.32 0.00 1.72 1.67 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.06 7.81 42 R 7.98 3.47 0.00 0.76 0.66 0.00 2.56 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.24 0.00 43 N 7.72 4.84 0.00 3.24 2.90 0.00 0.00 6.69 7.79 0.00 0.00 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 N 6.64 5.15 0.00 2.67 2.56 0.00 0.00 7.08 7.02 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 45 F 9.55 5.04 0.00 3.29 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 46 K 8.86 4.45 0.00 1.84 1.95 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.78 4.51 0.00 3.85 3.88 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 48 A 7.30 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.78 3.73 0.00 1.94 1.87 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 2.30 2.33 0.00 50 D 7.96 4.28 0.00 2.97 2.89 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 51 C 7.53 2.45 0.00 2.70 3.01 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 0.00 0.00 0.00 52 L 7.94 3.79 0.00 1.71 1.61 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.90 3.95 0.00 1.84 1.94 0.00 3.10 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 54 T 7.13 4.37 4.16 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 1.63 0.00 0.00 55 C 8.21 4.53 0.00 2.74 2.29 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 56 G 7.28 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 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 58 A 7.25 4.07 1.05 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 0.00 0.00