NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3068 8.2993 120.1375 56.2634 34.2745 174.4911 3 V 4.2138 7.2943 116.0098 61.2995 33.4098 170.0337 4 R 4.7097 8.0492 120.7225 55.5814 37.7400 179.8771 5 A 4.6982 7.1240 128.2411 54.4520 20.6289 180.2801 6 S 3.7060 7.3827 100.5000 60.1688 59.4699 172.1521 7 V 4.5101 7.5451 120.7614 60.5721 34.6130 175.0880 8 K 4.4586 8.6551 122.9424 55.5818 33.5286 175.7601 9 R 4.2956 8.1210 118.3153 56.5497 29.2505 174.5547 10 I 3.7981 7.8427 122.6338 63.2701 37.2484 176.0778 11 C 4.3572 8.3783 115.1402 58.4911 30.8707 175.2984 12 D 4.7255 8.8252 120.9502 55.0619 39.7252 176.9099 13 K 4.3878 7.9899 118.8695 56.3958 33.3305 176.1861 14 C 4.2459 7.8576 116.2087 60.3382 28.6080 172.7771 15 K 4.3612 7.8964 114.8642 55.8063 35.8997 175.1946 16 V 4.2616 8.6537 125.3795 62.8098 32.4685 175.0691 17 I 4.7001 8.5069 127.4638 59.3154 40.7175 176.1036 18 R 5.4669 7.8181 121.1655 55.2429 31.6847 174.8866 19 R 4.3038 7.5341 119.6918 56.4463 32.1537 176.1310 20 H 4.2968 9.0058 127.8191 55.4966 29.7300 176.2527 21 G 4.9192 7.7071 116.9941 46.7137 0.0000 173.1424 22 R 3.8357 6.9978 118.8899 56.6874 30.8754 175.7488 23 V 4.5070 7.7000 119.6000 60.4852 32.2819 174.1653 24 Y 5.2000 7.6852 127.2936 56.3829 39.5781 175.8622 25 V 4.8154 7.7703 113.9609 61.8218 33.2278 171.1872 26 I 4.6671 8.3721 123.2581 60.0290 40.1433 174.1408 27 C 4.6905 7.9438 127.2487 58.2620 33.4803 172.4044 28 E 4.2220 8.6553 116.1273 57.7173 29.8597 175.9665 29 N 4.8501 7.7923 117.0659 50.8838 39.9167 174.0871 30 P 4.5100 0.0000 0.0000 63.6535 31.0752 176.8812 31 K 4.4590 7.9642 118.1476 56.9468 33.8012 176.4181 32 H 5.1059 8.9337 116.9930 55.2300 29.8500 173.8243 33 K 4.8139 8.1704 116.5701 55.3986 35.0285 174.7815 34 Q 4.7169 8.6451 120.6282 55.0736 33.3463 174.3988 35 R 4.6885 8.1845 114.6039 55.7692 34.6536 175.3137 36 Q 4.3192 8.4949 123.9576 56.1733 28.7622 175.0273 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 2 K 8.30 4.31 0.00 1.77 1.94 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.37 7.81 3 V 7.29 4.21 2.10 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 0.69 0.00 0.00 0.94 0.00 0.00 4 R 8.05 4.71 0.00 1.79 1.79 0.00 3.16 0.00 0.00 3.24 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 5 A 7.12 4.70 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 6 S 7.38 3.71 0.00 3.90 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 7 V 7.55 4.51 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 0.98 0.00 0.00 1.07 0.00 0.00 8 K 8.66 4.46 0.00 1.72 1.77 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.47 7.81 9 R 8.12 4.30 0.00 1.97 2.12 0.00 3.21 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 10 I 7.84 3.80 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.84 0.00 0.00 11 C 8.38 4.36 0.00 3.10 3.13 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 12 D 8.83 4.73 0.00 2.70 2.74 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 0.00 0.00 0.00 0.00 13 K 7.99 4.39 0.00 1.70 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.36 7.81 14 C 7.86 4.25 0.00 2.98 2.94 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 15 K 7.90 4.36 0.00 1.66 1.66 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.37 7.81 16 V 8.65 4.26 2.10 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 0.91 0.00 0.00 nan 0.00 0.00 17 I 8.51 4.70 2.27 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 1.13 0.00 0.00 18 R 7.82 5.47 0.00 1.70 1.74 0.00 3.20 0.00 0.00 3.77 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 19 R 7.53 4.30 0.00 1.90 1.87 0.00 3.33 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 20 H 9.01 4.30 0.00 3.30 3.43 0.00 6.11 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 21 G 7.71 4.92 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 0.00 0.00 0.00 22 R 7.00 3.84 0.00 1.60 1.24 0.00 3.32 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 23 V 7.70 4.51 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.88 0.00 0.00 24 Y 7.69 5.20 0.00 3.21 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 25 V 7.77 4.82 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 1.08 0.00 0.00 1.02 0.00 0.00 26 I 8.37 4.67 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.55 0.87 0.00 0.00 27 C 7.94 4.69 0.00 2.99 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.22 0.00 1.97 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 2.27 2.31 0.00 29 N 7.79 4.85 0.00 2.62 2.81 0.00 0.00 7.17 8.03 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 30 P 0.00 4.51 0.00 2.04 2.07 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 31 K 7.96 4.46 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.45 7.81 32 H 8.93 5.11 0.00 3.14 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.17 4.81 0.00 1.68 1.74 0.00 1.50 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.41 7.81 34 Q 8.65 4.72 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 35 R 8.18 4.69 0.00 1.76 1.92 0.00 3.04 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 36 Q 8.49 4.32 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00