NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3644 8.3044 120.3278 56.0887 33.2123 175.5930 2 K 3.7786 7.4528 117.9631 56.0462 32.7389 173.9408 3 R 4.5497 8.3781 126.6054 54.9341 33.3491 175.4404 4 T 3.8752 8.5263 112.1498 64.5072 67.4218 174.0206 5 W 4.6379 8.1068 131.1475 56.0199 30.3413 175.2693 6 Q 4.1635 7.5159 125.8707 52.2331 28.4189 173.0583 7 P 3.2622 0.0000 0.0000 62.8709 32.1601 176.7582 8 N 4.4011 8.3375 118.4943 52.0871 40.8447 174.8671 9 R 3.8876 8.7005 127.4905 59.8674 30.2259 178.3651 10 R 3.8528 7.9314 117.0687 59.7305 29.8269 178.2502 11 K 3.8944 8.1329 118.6292 59.6905 31.8278 178.1792 12 R 4.1034 8.2099 118.3901 58.7651 30.1476 177.9273 13 A 4.1981 8.7137 120.3608 53.8768 18.3405 178.8238 14 K 4.1436 8.3860 117.4149 58.1355 32.5384 178.3218 15 T 4.2410 7.4105 114.7388 65.5976 69.0040 175.5345 16 H 4.8570 7.4513 114.2751 55.3449 29.3891 175.4138 17 G 4.2733 7.8800 108.7673 44.1379 0.0000 174.6497 18 F 4.1767 8.6971 121.5622 61.3879 39.5366 177.6526 19 R 3.9779 8.2288 116.9256 58.8922 29.5942 178.5137 20 A 3.9174 7.8882 120.5166 55.1868 18.5342 179.3011 21 R 3.8859 7.9254 115.8527 59.9778 29.9796 179.2470 22 M 3.8940 7.4152 116.7154 58.0483 31.9807 178.1565 23 R 3.9717 7.5670 117.9850 58.8306 30.6924 176.6064 24 T 4.3490 6.8767 111.5443 60.4817 68.0798 173.4929 25 P 4.5075 0.0000 0.0000 64.9497 31.3771 178.5193 26 G 3.5529 7.9444 105.2692 46.7604 0.0000 175.9655 27 G 4.2469 7.7657 108.8345 47.4268 0.0000 175.3530 28 R 3.8327 7.5792 120.9671 59.2299 30.1805 178.9964 29 K 3.8389 7.5657 117.3333 60.1368 31.9493 178.6975 30 V 3.5494 7.9157 118.2735 65.3860 31.1867 177.7758 31 L 3.9032 7.7432 117.6161 57.9952 41.8237 179.3016 32 K 3.8871 8.2478 119.7200 59.9137 31.9497 178.5589 33 R 4.0670 8.0412 115.7683 58.9552 29.6517 178.7494 34 R 3.8208 8.3145 119.2666 59.5518 29.9532 178.7900 35 R 3.9807 9.0920 119.0682 58.7806 29.8628 178.7874 36 Q 4.0117 8.1236 118.1652 59.4021 29.0485 179.9019 37 K 4.0666 8.7221 119.9628 57.1152 33.3002 176.0883 38 G 3.6690 8.8403 106.8364 45.8598 0.0000 173.3436 39 R 4.5178 7.6741 115.7992 54.7889 32.0183 177.8799 40 W 4.6125 8.5840 120.0572 58.2570 29.6146 176.6939 41 R 4.6247 7.8142 116.1400 54.1095 31.7329 175.1086 42 L 4.2113 8.8615 124.0685 57.1905 41.9854 177.6431 43 T 4.8049 7.5194 112.1500 60.6196 71.7965 171.9647 44 P 4.4011 0.0000 0.0000 62.3600 32.0261 176.1875 45 A 4.3088 8.3197 124.5212 51.6457 19.3480 177.4756 46 V 4.1074 7.8193 117.3871 62.5433 34.4777 171.6167 47 R 5.0934 8.5424 128.1511 54.8681 34.4687 174.2614 48 K 4.6555 8.5386 123.1564 57.6274 36.4703 175.8887 49 R 4.2092 9.1717 114.1754 55.9919 29.5102 175.6411 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 M 8.30 4.36 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 K 7.45 3.78 0.00 1.80 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.51 7.81 3 R 8.38 4.55 0.00 1.89 1.94 0.00 3.46 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 4 T 8.53 3.88 4.31 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 1.27 0.00 0.00 5 W 8.11 4.64 0.00 3.39 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 6 Q 7.52 4.16 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.55 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 7 P 0.00 3.26 0.00 1.94 2.09 0.00 3.47 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 8 N 8.34 4.40 0.00 2.60 2.51 0.00 0.00 7.15 7.65 0.00 0.00 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 R 8.70 3.89 0.00 1.94 1.99 0.00 3.28 0.00 0.00 3.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 10 R 7.93 3.85 0.00 1.87 1.92 0.00 3.19 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 8.13 3.89 0.00 1.95 1.96 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.55 7.81 12 R 8.21 4.10 0.00 2.14 2.15 0.00 3.54 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 13 A 8.71 4.20 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 14 K 8.39 4.14 0.00 1.84 1.85 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 15 T 7.41 4.24 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 0.89 0.00 0.00 16 H 7.45 4.86 0.00 3.13 3.30 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.88 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 0.00 0.00 0.00 0.00 18 F 8.70 4.18 0.00 3.16 3.07 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 19 R 8.23 3.98 0.00 1.95 2.01 0.00 3.26 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 20 A 7.89 3.92 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 21 R 7.93 3.89 0.00 1.77 1.96 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 22 M 7.42 3.89 0.00 1.89 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 23 R 7.57 3.97 0.00 1.97 2.07 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 24 T 6.88 4.35 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 1.27 0.00 0.00 25 P 0.00 4.51 0.00 2.29 2.27 0.00 3.72 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 2.06 2.01 0.00 26 G 7.94 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 27 G 7.77 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 28 R 7.58 3.83 0.00 1.95 1.99 0.00 3.12 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 29 K 7.57 3.84 0.00 1.74 1.87 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.60 7.81 30 V 7.92 3.55 2.22 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 1.11 0.00 0.00 0.99 0.00 0.00 31 L 7.74 3.90 0.00 1.85 1.77 0.66 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.25 3.89 0.00 1.96 1.96 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 33 R 8.04 4.07 0.00 2.11 2.17 0.00 2.84 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 34 R 8.31 3.82 0.00 2.04 2.07 0.00 3.14 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 35 R 9.09 3.98 0.00 1.97 1.96 0.00 3.20 0.00 0.00 3.21 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 36 Q 8.12 4.01 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 37 K 8.72 4.07 0.00 1.75 2.01 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.45 7.81 38 G 8.84 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 39 R 7.67 4.52 0.00 1.87 1.91 0.00 3.28 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 40 W 8.58 4.61 0.00 3.26 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 41 R 7.81 4.62 0.00 1.82 1.97 0.00 3.25 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 42 L 8.86 4.21 0.00 1.77 1.87 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.52 4.80 4.39 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 1.31 0.00 0.00 44 P 0.00 4.40 0.00 2.10 1.99 0.00 3.83 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 2.04 2.08 0.00 45 A 8.32 4.31 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 46 V 7.82 4.11 2.16 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 0.81 0.00 0.00 1.04 0.00 0.00 47 R 8.54 5.09 0.00 1.81 1.87 0.00 3.34 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 48 K 8.54 4.66 0.00 1.80 1.15 0.00 1.42 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.50 7.81 49 R 9.17 4.21 0.00 1.88 1.91 0.00 3.12 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00