NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2714 8.2549 119.7020 55.1262 30.3999 174.9956 2 P 4.0459 0.0000 0.0000 61.1206 31.1506 174.9806 3 D 4.2828 8.4999 124.8080 53.8442 42.1306 176.6269 4 F 4.3716 8.5661 122.6221 59.4801 38.0862 177.7221 5 C 4.6459 8.1811 118.4973 58.9049 40.0519 174.1125 6 L 4.5298 7.8594 118.3231 54.4026 41.7649 176.3349 7 E 4.3661 7.8035 119.3867 54.7904 30.2814 175.0230 8 P 4.3706 0.0000 0.0000 61.4711 32.0964 174.6446 9 P 3.6513 0.0000 0.0000 62.7039 31.4076 175.2698 10 Y 4.6232 7.8886 121.7322 56.0960 40.0927 175.4078 11 T 4.2348 7.7138 124.8053 64.5717 68.8604 176.2457 12 G 3.7281 6.7826 104.8035 44.0571 0.0000 171.3463 13 P 4.3181 0.0000 0.0000 65.0798 32.1051 177.9732 14 C 4.4452 7.9736 116.3880 56.9905 40.6394 173.3972 15 G 4.0708 8.2739 109.2037 45.6859 0.0000 173.8922 16 A 4.2731 7.7750 122.5718 50.7787 20.7320 177.7733 17 R 4.6520 8.1081 118.3580 54.3540 29.8122 172.7186 18 I 4.4173 8.4026 122.6830 59.0860 39.7932 174.8398 19 I 4.3201 8.2715 128.1525 61.0091 37.8957 175.3315 20 R 4.8652 8.3816 124.8946 54.6893 34.9607 173.5534 21 Y 5.6167 9.5009 117.7125 56.6280 41.0669 175.3608 22 F 5.7525 9.5870 116.7548 55.4671 42.0216 172.8093 23 Y 4.4202 10.1172 122.9440 57.2813 39.6071 174.6261 24 N 4.6872 8.1104 126.4640 51.5415 38.9617 174.8233 25 A 3.8405 8.4784 129.3374 54.6366 18.9527 178.8390 26 K 3.9952 7.9999 115.9304 58.8488 32.2966 177.4120 27 A 4.3469 7.9738 119.0862 51.2169 19.8602 176.6553 28 G 3.8213 8.5455 104.0311 45.6672 0.0000 173.2720 29 L 4.4864 6.8003 116.9529 54.3919 44.0300 174.4133 30 C 4.9247 8.6216 117.6743 56.5751 38.5532 173.2117 31 Q 4.8890 8.6658 122.5231 54.0751 32.5049 174.6576 32 T 4.9020 8.3382 110.6232 61.2128 70.7406 173.6918 33 F 4.9963 8.7915 117.0058 55.9782 42.3889 172.8681 34 V 4.3078 8.4652 119.5946 62.1523 32.9744 173.6219 35 Y 4.8091 8.8868 129.9602 55.8987 40.4669 176.4089 36 G 3.9394 8.2898 113.6221 46.2477 0.0000 174.9847 37 G 3.7478 6.2666 107.6758 45.2888 0.0000 172.4236 38 C 5.0273 6.7354 111.2067 54.0208 44.6714 173.0211 39 R 3.8468 8.8622 115.8595 56.9282 27.2069 176.8672 40 A 4.2546 8.4125 118.9559 52.6035 18.9232 178.3564 41 K 4.3724 8.2473 120.5433 54.8359 34.0433 177.1840 42 R 3.5828 8.0157 117.8235 58.6465 30.4353 177.4991 43 N 4.7633 7.7802 118.3583 51.3090 37.4391 174.2211 44 N 5.0874 6.4849 116.5165 52.7545 41.7328 173.1159 45 F 5.0566 9.4991 124.7335 55.6389 42.5348 176.4064 46 K 4.5153 8.8665 121.6698 58.1086 32.7163 177.5900 47 S 4.5122 7.6938 112.7438 55.7042 67.0485 174.6749 48 A 3.3015 7.4368 124.2836 54.9092 18.0484 179.9418 49 E 3.7873 7.8013 116.6908 59.6533 29.5865 179.1217 50 D 4.2689 7.9907 118.8204 57.3476 40.8613 178.0199 51 C 2.4500 7.6579 118.7136 59.0961 44.8015 175.6687 52 L 3.8234 7.9412 120.9183 57.6669 40.9317 179.4917 53 R 3.7832 7.6891 117.7417 59.6672 30.0825 178.3516 54 T 4.1588 7.4666 114.3364 65.5807 69.0536 174.9158 55 C 4.4796 8.2461 116.1126 55.8520 42.0977 174.1223 56 G 3.8298 7.3990 109.3115 47.4281 0.0000 174.0152 57 G 3.8231 8.8966 111.7278 45.0575 0.0000 173.1273 58 A 4.0097 7.2412 127.5141 52.2894 18.2267 177.5931 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 4.27 0.00 1.81 1.99 0.00 3.34 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 2 P 0.00 4.05 0.00 2.15 2.04 0.00 3.70 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 2.04 2.14 0.00 3 D 8.50 4.28 0.00 2.60 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 4 F 8.57 4.37 0.00 3.22 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 5 C 8.18 4.65 0.00 2.92 3.14 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 6 L 7.86 4.53 0.00 1.75 1.74 0.94 1.22 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 7 E 7.80 4.37 0.00 2.10 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 2.41 2.49 0.00 8 P 0.00 4.37 0.00 1.98 1.91 0.00 3.68 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 2.02 2.07 0.00 9 P 0.00 3.65 0.00 0.49 0.49 0.00 3.27 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 10 Y 7.89 4.62 0.00 2.82 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 11 T 7.71 4.23 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 1.18 0.00 0.00 12 G 6.78 3.73 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 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.18 2.20 0.00 3.79 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 1.98 2.03 0.00 14 C 7.97 4.45 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 G 8.27 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 0.00 0.00 0.00 16 A 7.77 4.27 1.16 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 0.00 0.00 0.00 17 R 8.11 4.65 0.00 1.72 1.75 0.00 3.33 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 18 I 8.40 4.42 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 0.97 0.00 0.00 19 I 8.27 4.32 1.81 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 0.41 0.72 0.00 0.00 20 R 8.38 4.87 0.00 0.88 1.91 0.00 3.43 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 21 Y 9.50 5.62 0.00 3.18 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 22 F 9.59 5.75 0.00 3.13 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 23 Y 10.12 4.42 0.00 3.03 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 24 N 8.11 4.69 0.00 2.23 2.44 0.00 0.00 6.68 7.80 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 25 A 8.48 3.84 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.00 4.00 0.00 1.74 2.06 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.39 7.81 27 A 7.97 4.35 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 28 G 8.55 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 0.00 0.00 0.00 29 L 6.80 4.49 0.00 1.66 1.67 0.75 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.62 4.92 0.00 2.90 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 4.89 0.00 1.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 32 T 8.34 4.90 4.05 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 0.61 0.00 0.00 33 F 8.79 5.00 0.00 3.09 3.18 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 34 V 8.47 4.31 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 0.87 0.00 0.00 0.90 0.00 0.00 35 Y 8.89 4.81 0.00 2.54 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 8.29 3.94 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 0.00 0.00 0.00 37 G 6.27 3.75 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 0.00 0.00 0.00 38 C 6.74 5.03 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 3.85 0.00 2.22 2.24 0.00 3.31 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 A 8.41 4.25 0.99 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 0.00 0.00 41 K 8.25 4.37 0.00 1.73 1.67 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.10 1.17 7.81 42 R 8.02 3.58 0.00 0.88 0.66 0.00 2.31 0.00 0.00 2.83 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.24 0.00 43 N 7.78 4.76 0.00 3.19 2.86 0.00 0.00 6.70 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 6.48 5.09 0.00 2.66 2.54 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 9.50 5.06 0.00 3.31 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 8.87 4.52 0.00 1.84 1.94 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 S 7.69 4.51 0.00 4.01 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 48 A 7.44 3.30 0.93 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 0.00 0.00 49 E 7.80 3.79 0.00 1.98 1.94 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 2.34 2.39 0.00 50 D 7.99 4.27 0.00 2.93 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 51 C 7.66 2.45 0.00 2.84 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 52 L 7.94 3.82 0.00 1.71 1.62 0.85 0.69 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 53 R 7.69 3.78 0.00 1.83 2.01 0.00 3.24 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 1.60 1.63 0.00 54 T 7.47 4.16 4.08 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 0.00 0.00 0.00 1.62 0.00 0.00 55 C 8.25 4.48 0.00 2.74 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.90 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 0.00 0.00 0.00 58 A 7.24 4.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00