NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5358 8.3049 120.3269 54.1729 35.3967 176.1159 2 K 3.5963 8.5292 117.0876 58.6726 31.1074 176.5332 3 A 4.2109 9.3308 135.0000 54.3615 20.6134 180.3939 4 K 3.8551 8.2402 116.8525 59.5708 32.2110 177.8360 5 E 4.0730 7.6740 115.3750 58.9469 29.7492 177.4279 6 L 4.0260 7.6950 118.6579 55.1261 42.1459 176.7326 7 R 3.8471 8.4777 116.1128 57.4947 28.5156 176.0253 8 E 4.2781 7.9583 112.3882 55.3282 30.0781 173.3986 9 K 3.8231 7.9287 125.8972 55.4156 32.5173 175.9499 10 S 4.0797 8.7878 117.8629 62.1597 62.1034 176.7599 11 V 3.4904 7.8709 121.6491 65.8405 31.0858 177.4845 12 E 3.9563 8.1792 117.1498 59.4347 29.3714 178.8385 13 E 3.9377 7.9335 118.3342 59.7227 29.5590 179.1988 14 L 3.9739 7.6998 118.1844 58.2352 41.5867 179.6263 15 N 4.3696 7.5348 114.9554 56.6746 37.4443 176.4042 16 T 3.9634 8.1680 119.4041 66.0138 68.3710 176.0613 17 E 4.7905 8.7484 121.2360 58.8537 29.5616 178.8947 18 L 3.8988 8.0504 121.4544 58.3653 41.7365 179.1038 19 L 3.9802 7.7553 117.9278 57.8894 41.5643 178.8009 20 N 5.0268 8.1166 117.1001 56.4956 38.4847 176.8004 21 L 4.1805 8.3402 120.2391 56.1083 41.5818 176.4722 22 L 3.9275 7.9445 123.5249 56.6025 42.4572 176.5061 23 R 4.5125 9.0958 128.6910 57.7929 28.8923 178.1299 24 E 4.0577 7.5082 117.6302 58.7782 29.8960 178.3455 25 Q 4.3495 8.2223 118.1956 57.2604 30.4248 177.0306 26 F 4.2652 8.0776 121.3000 61.1965 39.5736 176.3935 27 N 3.7758 8.8042 116.2077 56.3388 38.3650 177.0874 28 L 3.9502 7.8885 119.4632 58.0494 41.7467 179.6868 29 R 3.9044 7.5353 117.5882 59.5347 30.0537 178.9096 30 M 3.8287 7.6598 118.3723 58.3810 31.6787 178.7214 31 Q 4.6186 8.6585 119.7644 58.9506 29.4560 177.8911 32 A 4.1524 8.5273 120.7304 54.5312 18.3325 178.8424 33 A 4.2485 7.5303 118.6774 54.4014 19.1573 178.6068 34 S 4.5766 7.8618 112.0234 56.9857 64.4105 177.0185 35 G 3.8386 8.6097 117.3300 45.8389 0.0000 179.5409 36 Q 2.7794 9.9668 124.0274 56.2230 28.6274 174.4237 37 L 4.0222 8.6989 123.3809 56.0519 42.8038 175.8282 38 Q 4.7252 8.5561 126.3323 56.4168 29.2350 176.2110 39 Q 4.6535 7.7312 117.8775 54.5933 29.1716 176.4125 40 S 4.0951 8.3775 117.6599 61.7402 63.4418 176.0229 41 H 4.1029 8.5544 119.2821 58.1940 27.4803 176.8781 42 L 3.8698 7.1533 120.5582 57.8447 41.5938 179.0553 43 L 4.0933 7.7804 117.0719 57.4972 40.3636 178.9650 44 K 4.0142 8.3051 120.0384 61.6073 32.3653 176.7793 45 Q 4.3771 8.5876 120.0956 56.8310 31.2201 173.2212 46 V 3.4631 8.8612 118.4479 65.0813 31.8790 175.3071 47 R 4.1229 7.8844 116.7207 59.6684 30.2384 179.0328 48 R 3.8921 7.3935 115.5247 59.4625 30.0802 178.6664 49 D 4.3412 7.9806 117.8662 57.5259 40.8423 178.5901 50 V 3.5674 8.6854 119.4642 66.5029 31.1771 177.4203 51 A 4.2103 8.7179 120.8801 55.3034 18.1399 179.3138 52 R 4.2330 8.7863 115.5249 59.6097 30.1329 179.0665 53 V 3.5815 8.1256 116.7729 66.4401 31.6494 178.2601 54 K 4.1125 8.7036 117.3323 59.5028 31.8581 179.2432 55 T 4.0560 8.6203 116.8766 67.7543 68.7862 175.7737 56 L 4.6109 8.1471 121.6244 54.6827 44.8071 174.5882 57 L 3.9880 8.6727 121.1894 56.2823 39.6241 176.0549 58 N 4.1394 7.6834 113.4937 56.0122 39.0730 176.1551 59 E 4.0233 8.5570 117.0840 59.8598 30.4463 179.8787 60 K 3.6015 8.4100 119.9613 58.7740 32.1193 176.4004 61 A 3.9964 8.7716 126.5194 53.8941 17.8791 177.8391 62 G 4.9066 7.7668 120.9107 46.6211 0.0000 171.5057 63 A 4.1777 7.6906 125.8074 52.3015 19.2608 176.5263 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 4.54 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.53 3.60 0.00 1.89 1.60 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 3 A 9.33 4.21 1.30 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 0.00 0.00 4 K 8.24 3.86 0.00 1.73 1.92 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 5 E 7.67 4.07 0.00 2.05 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 2.61 2.40 0.00 6 L 7.70 4.03 0.00 1.92 1.61 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.48 3.85 0.00 1.87 1.95 0.00 3.27 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 8 E 7.96 4.28 0.00 2.34 1.96 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 2.31 2.56 0.00 9 K 7.93 3.82 0.00 2.20 1.79 0.00 1.58 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 10 S 8.79 4.08 0.00 4.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.49 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 1.06 0.00 0.00 0.93 0.00 0.00 12 E 8.18 3.96 0.00 2.46 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 2.40 2.47 0.00 13 E 7.93 3.94 0.00 2.21 2.02 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 2.55 2.53 0.00 14 L 7.70 3.97 0.00 1.82 1.73 0.92 0.77 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 15 N 7.53 4.37 0.00 2.67 2.96 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 16 T 8.17 3.96 4.43 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 1.21 0.00 0.00 17 E 8.75 4.79 0.00 2.24 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 0.00 2.29 2.55 0.00 18 L 8.05 3.90 0.00 2.02 1.88 0.91 0.47 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 19 L 7.76 3.98 0.00 1.99 1.71 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.12 5.03 0.00 2.95 2.90 0.00 0.00 7.63 6.74 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 21 L 8.34 4.18 0.00 1.69 1.68 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.94 3.93 0.00 1.54 1.87 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.10 4.51 0.00 2.12 2.34 0.00 3.93 0.00 0.00 3.57 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 24 E 7.51 4.06 0.00 2.03 2.24 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 2.32 2.29 0.00 25 Q 8.22 4.35 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 26 F 8.08 4.27 0.00 3.08 3.16 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 27 N 8.80 3.78 0.00 2.90 2.81 0.00 0.00 7.14 6.73 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 28 L 7.89 3.95 0.00 1.83 1.69 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.54 3.90 0.00 1.86 1.91 0.00 3.18 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 30 M 7.66 3.83 0.00 1.76 1.89 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 31 Q 8.66 4.62 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 32 A 8.53 4.15 1.31 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 0.00 0.00 0.00 33 A 7.53 4.25 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.58 0.00 4.20 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 35 G 8.61 3.84 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 0.00 0.00 0.00 36 Q 9.97 2.78 0.00 2.17 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.58 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 37 L 8.70 4.02 0.00 1.57 1.59 0.92 0.68 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 38 Q 8.56 4.73 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 39 Q 7.73 4.65 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 40 S 8.38 4.10 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.10 0.00 3.40 3.62 0.00 5.48 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.15 3.87 0.00 1.72 1.71 0.68 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.78 4.09 0.00 1.75 1.73 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.31 4.01 0.00 1.85 2.02 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.55 7.81 45 Q 8.59 4.38 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 5.92 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 46 V 8.86 3.46 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 0.97 0.00 0.00 1.02 0.00 0.00 47 R 7.88 4.12 0.00 1.89 1.99 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.11 0.00 48 R 7.39 3.89 0.00 1.87 1.99 0.00 3.31 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 49 D 7.98 4.34 0.00 2.93 2.72 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 50 V 8.69 3.57 2.24 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 1.01 0.00 0.00 0.99 0.00 0.00 51 A 8.72 4.21 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.79 4.23 0.00 2.07 2.02 0.00 3.15 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 53 V 8.13 3.58 2.20 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 0.83 0.00 0.00 1.07 0.00 0.00 54 K 8.70 4.11 0.00 1.91 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.59 7.81 55 T 8.62 4.06 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 L 8.15 4.61 0.00 1.74 1.65 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.67 3.99 0.00 1.86 1.81 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.68 4.14 0.00 2.69 2.72 0.00 0.00 6.86 7.66 0.00 0.00 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 E 8.56 4.02 0.00 2.18 2.24 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 2.37 2.41 0.00 60 K 8.41 3.60 0.00 1.70 2.07 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.55 7.81 61 A 8.77 4.00 1.31 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 0.00 0.00 0.00 62 G 7.77 4.91 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 0.00 0.00 0.00 63 A 7.69 4.18 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