NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6643 8.3044 120.6138 55.2819 33.4622 174.8784 2 K 4.0069 8.7162 127.9065 55.8780 32.0797 170.8515 3 V 3.9126 8.5123 117.7074 59.0252 33.7672 177.7471 4 R 3.7565 7.6403 121.7681 56.4961 29.6795 175.8662 5 A 4.5984 8.2014 118.0402 52.4421 20.9000 176.4977 6 S 4.9067 7.6167 110.9910 55.9033 62.1904 173.4575 7 V 3.1410 7.1682 118.5622 61.6819 31.9609 174.1216 8 K 3.7325 7.9427 129.4541 54.0260 33.3862 177.2982 9 K 4.3140 8.1871 121.9872 57.2406 32.7255 174.1829 10 L 4.6462 7.5916 117.1701 56.2715 49.8100 179.4372 11 C 4.7546 7.7492 127.7802 58.8558 29.4152 176.0341 12 R 4.4492 8.5903 112.0529 56.4546 30.7331 176.5268 13 N 4.7034 8.0655 115.1669 53.3390 38.6276 173.7244 14 C 4.6661 7.8832 117.3718 59.0755 28.8599 172.7929 15 K 4.0638 8.4867 126.0118 57.2424 32.7389 173.5826 16 I 3.8954 7.7837 123.7169 62.5704 34.1506 172.8576 17 V 4.2126 7.4949 129.9509 63.4901 33.3543 175.0704 18 K 4.9406 7.7436 106.7703 56.8349 33.7419 175.5575 19 R 4.2825 7.3111 120.6339 56.8973 31.4796 178.3793 20 D 4.3743 9.7226 118.4168 54.9826 39.3836 174.7374 21 G 3.8327 7.8173 106.6948 45.0372 0.0000 173.5132 22 V 4.0834 8.0074 121.0687 60.6726 32.7292 174.3954 23 I 4.2509 8.4993 129.9216 62.3250 36.6593 175.7395 24 R 4.6284 8.3178 125.6564 54.3161 33.8654 174.9713 25 V 4.7514 8.0738 118.1973 61.5033 34.7421 174.0328 26 I 4.8486 8.4398 127.5920 59.5477 40.7791 173.6403 27 C 5.2349 8.8423 126.8860 56.4370 33.7288 174.0247 28 S 4.5203 8.9127 119.3094 58.8110 62.4446 173.5263 29 A 4.5272 7.4707 121.0871 53.0398 21.3544 176.4655 30 E 4.6280 7.4150 112.3605 53.5716 32.2749 175.9142 31 P 4.2929 0.0000 0.0000 65.3095 31.6684 178.5493 32 K 4.0240 7.2992 117.1569 58.9823 32.1209 177.6315 33 H 4.4193 7.8842 115.2760 57.8539 29.1493 174.0456 34 K 4.4555 8.0703 121.9309 56.6773 32.2250 176.0743 35 Q 5.3649 8.2228 125.8696 53.5258 31.4163 174.4187 36 R 4.7691 7.5936 121.3147 55.7515 33.0058 175.2086 37 Q 4.0033 8.6479 116.2199 55.5621 29.3931 177.8008 38 G 3.8090 8.4320 106.6227 46.7788 0.0000 172.5586 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 4.66 0.00 2.05 2.05 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 2.57 2.55 0.00 2 K 8.72 4.01 0.00 1.83 1.65 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 3 V 8.51 3.91 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 0.80 0.00 0.00 0.93 0.00 0.00 4 R 7.64 3.76 0.00 1.93 1.92 0.00 3.17 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 A 8.20 4.60 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.62 4.91 0.00 3.82 3.78 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 7 V 7.17 3.14 2.31 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 0.68 0.00 0.00 0.95 0.00 0.00 8 K 7.94 3.73 0.00 1.88 1.91 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 K 8.19 4.31 0.00 1.87 1.86 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.52 7.81 10 L 7.59 4.65 0.00 1.37 1.19 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.75 4.75 0.00 3.12 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 12 R 8.59 4.45 0.00 1.92 2.07 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 13 N 8.07 4.70 0.00 2.83 2.87 0.00 0.00 7.16 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 14 C 7.88 4.67 0.00 2.96 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 15 K 8.49 4.06 0.00 1.66 1.81 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.43 7.81 16 I 7.78 3.90 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.38 0.93 0.00 0.00 17 V 7.49 4.21 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 0.98 0.00 0.00 0.93 0.00 0.00 18 K 7.74 4.94 0.00 1.76 1.61 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.30 7.81 19 R 7.31 4.28 0.00 1.91 1.82 0.00 3.32 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 20 D 9.72 4.37 0.00 2.83 2.79 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 0.00 0.00 0.00 0.00 21 G 7.82 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 22 V 8.01 4.08 2.15 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 0.96 0.00 0.00 0.97 0.00 0.00 23 I 8.50 4.25 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.91 0.00 0.00 24 R 8.32 4.63 0.00 1.82 1.86 0.00 3.17 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 25 V 8.07 4.75 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 1.11 0.00 0.00 0.99 0.00 0.00 26 I 8.44 4.85 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.91 0.00 0.00 27 C 8.84 5.23 0.00 3.06 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 28 S 8.91 4.52 0.00 4.02 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 29 A 7.47 4.53 1.23 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 0.00 0.00 0.00 30 E 7.42 4.63 0.00 1.51 1.57 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 2.22 2.18 0.00 31 P 0.00 4.29 0.00 2.16 2.08 0.00 3.57 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 32 K 7.30 4.02 0.00 1.88 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.42 7.81 33 H 7.88 4.42 0.00 3.24 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.07 4.46 0.00 1.80 1.93 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.30 7.81 35 Q 8.22 5.36 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 36 R 7.59 4.77 0.00 1.75 1.67 0.00 3.31 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 37 Q 8.65 4.00 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 38 G 8.43 3.81 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 0.00 0.00 0.00