NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 2.0000 8.3049 120.2637 53.9943 34.0101 175.1605 2 K 3.9678 7.7411 115.3427 55.9425 37.1855 172.8856 3 K 3.7920 8.2441 113.3611 56.9285 30.0374 173.3898 4 D 4.4818 7.7835 123.8710 55.4842 39.1944 177.8248 5 I 4.3086 7.3096 111.2045 59.7618 40.3240 174.5335 6 H 3.9412 8.8924 121.6074 56.0487 27.6465 172.9022 7 P 5.2259 0.0000 0.0000 63.3555 31.6616 177.5178 8 K 4.7359 8.0457 121.8270 55.4186 37.0125 174.1961 9 Y 4.7434 8.5684 120.9887 58.0625 42.4457 171.4170 10 E 4.0115 6.7255 121.5640 55.9609 28.8744 176.0763 11 E 4.4692 8.6017 123.2767 55.5808 31.6087 175.8731 12 I 4.8171 8.1445 114.4355 59.8780 40.3692 175.1823 13 T 4.6535 7.9548 111.8766 60.9872 72.0380 171.4914 14 A 5.0087 8.4340 121.5112 51.1074 23.0289 175.6819 15 S 4.6407 9.6329 116.0617 58.1073 66.1196 173.9807 16 C 4.7032 8.1123 116.8028 59.6042 30.9054 174.9998 17 S 4.4926 8.8499 118.3486 58.0981 63.3398 174.6779 18 C 4.3192 7.9599 123.6363 61.1012 28.6348 174.9129 19 G 3.9766 7.9204 107.2705 45.4697 0.0000 175.5407 20 N 4.8762 8.0116 121.8008 50.1877 40.4958 172.8704 21 V 4.7993 7.4338 128.6283 61.8358 32.1318 170.7458 22 M 5.1743 7.5946 121.1313 53.8556 31.8479 175.1982 23 K 4.2093 8.2672 120.4618 56.2994 33.8297 176.2314 24 I 3.7825 8.3716 120.3848 61.1379 38.1536 175.9339 25 R 4.7724 8.6341 126.1930 56.7733 32.8637 174.9267 26 S 4.7788 8.1077 110.3351 58.3936 65.5056 177.2064 27 T 4.5944 8.2110 124.1419 62.2083 69.0157 172.3831 28 V 3.8182 7.5055 111.8003 61.5442 40.3000 172.4321 29 G 4.2631 6.9108 108.0883 44.5435 0.0000 175.1006 30 H 4.9358 8.7979 122.2201 53.9067 33.6034 170.9141 31 D 5.0306 8.4342 128.5952 52.2017 40.2200 178.2868 32 L 3.8707 9.2391 118.8503 54.0237 40.8841 172.7321 33 N 5.1423 7.9530 111.4988 53.4300 40.5298 172.7079 34 L 4.7964 7.3358 125.3050 52.5542 42.3582 174.5112 35 D 4.8815 9.4874 134.6019 54.8161 40.6080 173.6671 36 V 4.4960 8.3158 115.9973 60.3724 34.9760 173.8014 37 C 4.2425 8.8852 126.5541 59.0006 31.7057 173.3450 38 S 4.6386 8.7985 122.2938 58.9685 61.9076 174.0726 39 K 4.5667 7.4896 114.7706 54.8453 32.9155 175.6515 40 C 4.5616 7.2679 119.8225 58.1767 34.7084 173.3406 41 H 4.9823 8.2765 119.7399 53.1397 33.2572 172.8369 42 P 4.9193 0.0000 0.0000 63.3355 28.1922 174.9968 43 F 4.6863 8.8511 125.8004 58.1332 40.2769 174.4096 44 F 5.8555 8.5134 117.0869 55.1885 41.1332 173.8549 45 T 3.5715 7.9812 109.1589 61.3447 70.0942 172.0384 46 G 4.3357 8.1139 115.2496 45.3295 0.0000 172.6632 47 K 5.0550 8.5329 124.4060 54.6701 36.2798 175.9150 48 Q 4.8170 8.4394 121.4871 55.3225 30.0874 176.9204 49 R 4.0052 8.3400 119.0749 59.3755 30.0126 177.4915 50 D 4.4818 7.8068 116.6459 55.9648 40.6014 177.8071 51 V 4.0281 7.3393 117.8993 64.3454 32.0519 177.6111 52 A 3.8572 8.2993 121.0756 54.5822 18.4319 177.7093 53 T 4.0645 7.1316 110.3831 63.1415 68.0979 172.9983 54 G 4.4004 8.8165 120.7177 46.2713 0.0000 176.3587 55 G 3.5754 8.1717 109.2945 47.9529 0.0000 175.5515 56 R 4.1991 8.1557 114.9872 56.7656 29.6904 177.8502 57 V 3.7831 7.6771 119.2586 65.8057 31.6337 177.2962 58 D 4.7047 7.6085 114.0495 54.5053 43.3969 175.0174 59 R 4.3321 9.1588 115.5888 54.8879 30.7107 177.5190 60 F 4.4809 9.8998 129.1963 59.4187 40.5072 173.9399 61 N 4.5115 9.2528 115.6041 54.6314 41.4318 175.7574 62 K 4.1665 8.0502 113.0146 56.9385 31.9735 177.0982 63 R 4.4704 7.9649 120.7610 56.4275 32.4554 177.2245 64 F 3.7965 8.3677 119.5206 61.1193 38.7576 176.2778 65 N 4.3172 8.3650 115.5675 56.3693 36.8125 176.7861 66 I 3.8372 7.8345 121.6052 63.7512 37.0795 176.6018 67 P 4.2765 0.0000 0.0000 65.3188 31.0287 178.1902 68 G 3.8905 7.6738 103.9985 47.4868 0.0000 174.5838 69 S 4.5268 7.6678 117.5895 55.5259 62.4109 174.4167 70 K 3.9681 7.8883 122.9729 58.1935 31.9275 177.1134 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 2.00 0.00 1.61 1.77 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.85 0.00 2 K 7.74 3.97 0.00 1.72 1.65 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.38 7.81 3 K 8.24 3.79 0.00 1.90 1.79 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.44 1.49 7.81 4 D 7.78 4.48 0.00 2.42 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 5 I 7.31 4.31 1.86 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 1.27 0.80 0.82 0.00 0.00 6 H 8.89 3.94 0.00 3.25 3.30 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 5.23 0.00 2.12 2.07 0.00 3.43 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 8 K 8.05 4.74 0.00 1.65 1.75 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.38 7.81 9 Y 8.57 4.74 0.00 3.06 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 6.73 4.01 0.00 1.41 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 11 E 8.60 4.47 0.00 1.97 1.83 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 2.44 2.24 0.00 12 I 8.14 4.82 1.85 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 1.38 0.64 0.89 0.00 0.00 13 T 7.95 4.65 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 1.19 0.00 0.00 14 A 8.43 5.01 1.19 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 0.00 0.00 15 S 9.63 4.64 0.00 3.78 3.80 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 0.00 0.00 0.00 16 C 8.11 4.70 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 4.49 0.00 3.97 3.96 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 18 C 7.96 4.32 0.00 3.21 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 19 G 7.92 3.98 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 0.00 0.00 0.00 20 N 8.01 4.88 0.00 2.68 2.70 0.00 0.00 7.17 7.59 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 21 V 7.43 4.80 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 0.71 0.00 0.00 0.95 0.00 0.00 22 M 7.59 5.17 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 23 K 8.27 4.21 0.00 1.83 1.67 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.44 7.81 24 I 8.37 3.78 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 1.22 0.97 0.90 0.00 0.00 25 R 8.63 4.77 0.00 1.73 1.72 0.00 3.37 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 26 S 8.11 4.78 0.00 3.80 3.65 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 0.00 0.00 0.00 0.00 27 T 8.21 4.59 4.18 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 1.18 0.00 0.00 28 V 7.51 3.82 1.95 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 0.51 0.00 0.00 0.83 0.00 0.00 29 G 6.91 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 0.00 0.00 0.00 30 H 8.80 4.94 0.00 3.16 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.43 5.03 0.00 2.68 1.67 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 32 L 9.24 3.87 0.00 1.93 1.71 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.95 5.14 0.00 3.01 2.92 0.00 0.00 6.16 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 34 L 7.34 4.80 0.00 1.75 0.93 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 D 9.49 4.88 0.00 2.99 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 36 V 8.32 4.50 2.19 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 0.73 0.00 0.00 1.05 0.00 0.00 37 C 8.89 4.24 0.00 2.81 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 38 S 8.80 4.64 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.49 4.57 0.00 1.61 1.62 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.27 7.81 40 C 7.27 4.56 0.00 3.16 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.28 4.98 0.00 3.15 3.32 0.00 5.93 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.92 0.00 2.13 2.11 0.00 3.22 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 43 F 8.85 4.69 0.00 2.95 3.25 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 44 F 8.51 5.86 0.00 3.22 3.09 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 T 7.98 3.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 46 G 8.11 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 0.00 0.00 0.00 0.00 47 K 8.53 5.05 0.00 1.77 1.81 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.52 7.81 48 Q 8.44 4.82 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.97 0.00 0.00 0.00 0.00 0.00 2.69 2.30 0.00 49 R 8.34 4.01 0.00 1.81 1.77 0.00 3.16 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 50 D 7.81 4.48 0.00 2.83 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 51 V 7.34 4.03 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 1.08 0.00 0.00 0.97 0.00 0.00 52 A 8.30 3.86 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.13 4.06 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 1.27 0.00 0.00 54 G 8.82 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 3.58 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 56 R 8.16 4.20 0.00 1.87 2.08 0.00 3.05 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 57 V 7.68 3.78 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.96 0.00 0.00 58 D 7.61 4.70 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 9.16 4.33 0.00 1.95 1.70 0.00 3.38 0.00 0.00 3.11 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 60 F 9.90 4.48 0.00 3.07 3.26 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 61 N 9.25 4.51 0.00 1.92 2.47 0.00 0.00 7.21 6.01 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 62 K 8.05 4.17 0.00 1.90 1.83 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.40 7.81 63 R 7.96 4.47 0.00 1.87 1.85 0.00 3.14 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 64 F 8.37 3.80 0.00 3.07 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 65 N 8.37 4.32 0.00 2.89 2.98 0.00 0.00 6.06 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.83 3.84 1.82 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 1.75 0.94 0.89 0.00 0.00 67 P 0.00 4.28 0.00 1.78 1.85 0.00 3.81 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.94 0.00 68 G 7.67 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 0.00 0.00 0.00 69 S 7.67 4.53 0.00 3.94 3.92 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 70 K 7.89 3.97 0.00 1.86 1.97 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81