NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 K 4.3322 8.3144 120.1339 56.5203 33.5988 174.6966 32 S 4.3612 8.7322 115.7390 58.7297 64.7326 172.2273 33 C 4.6932 7.6779 117.8481 60.3510 36.2871 172.0930 34 C 4.8190 7.5969 111.5620 57.1692 32.1833 173.6194 35 S 4.6050 8.6308 113.7480 59.2243 62.9929 174.6062 36 C 4.6510 7.9378 113.6638 58.5765 31.4614 173.5880 37 C 4.8801 7.5661 117.8597 58.3709 28.9701 173.3130 38 P 4.9293 0.0000 0.0000 59.9474 30.0373 177.3862 39 V 4.3759 7.7365 114.3101 65.5624 34.4525 173.2409 40 G 3.8430 8.7314 105.5944 46.4905 0.0000 172.3663 41 C 3.7052 7.8234 121.1115 58.3253 32.4697 173.3338 42 A 3.9204 8.4099 126.2237 55.4693 18.2090 179.8372 43 K 3.4171 7.9874 116.6225 58.7651 32.4165 177.3875 44 C 4.9722 7.4358 114.6838 58.8464 27.8937 175.4428 45 S 3.8238 8.0002 113.6994 62.0850 63.3365 174.6372 46 Q 4.5155 8.0422 123.7244 54.0494 29.3410 177.4798 47 G 4.6096 7.5671 112.3685 45.5136 0.0000 170.8997 48 C 4.5242 8.5043 128.5407 59.7128 29.2354 172.6591 49 I 4.1426 7.8131 113.8306 60.0459 37.6905 176.0557 50 C 4.6205 7.8723 121.1765 58.2434 32.3801 173.9584 51 K 4.5132 7.9944 127.9085 52.8072 31.9475 176.9262 52 E 4.8760 7.2424 113.5448 57.0627 31.5909 175.3673 53 A 5.9056 7.8951 135.0000 52.7094 19.7959 175.3572 54 S 4.6158 8.6423 119.8262 56.8314 63.0079 174.4180 55 D 5.1999 7.5424 129.5890 54.3979 39.9224 176.9134 56 K 4.3126 6.9514 118.5882 55.6974 34.7306 173.1353 57 C 5.2392 8.5898 118.6611 56.6510 32.4560 173.6788 58 S 4.6757 8.4519 111.9366 58.2144 63.5607 174.2054 59 C 4.6815 8.2001 114.6488 58.6999 31.3938 173.5697 60 C 4.5898 8.0675 113.6052 59.3897 29.5009 173.6265 61 A 4.3316 8.7755 129.7738 52.7326 18.8566 177.4708 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 31 K 8.31 4.33 0.00 1.76 1.81 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.38 7.81 32 S 8.73 4.36 0.00 3.97 3.91 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 33 C 7.68 4.69 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.60 4.82 0.00 3.07 2.99 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 35 S 8.63 4.61 0.00 3.87 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 36 C 7.94 4.65 0.00 3.05 3.02 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 0.00 0.00 0.00 37 C 7.57 4.88 0.00 2.94 2.86 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 38 P 0.00 4.93 0.00 2.17 2.27 0.00 3.43 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 39 V 7.74 4.38 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 0.62 0.00 0.00 0.93 0.00 0.00 40 G 8.73 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 41 C 7.82 3.71 0.00 2.96 2.84 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 42 A 8.41 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.99 3.42 0.00 1.72 1.87 0.00 1.73 0.00 0.00 1.96 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 44 C 7.44 4.97 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 45 S 8.00 3.82 0.00 3.72 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 46 Q 8.04 4.52 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.18 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 47 G 7.57 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.50 4.52 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 4.14 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 1.42 0.65 0.95 0.00 0.00 50 C 7.87 4.62 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.99 4.51 0.00 1.73 1.69 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.32 7.81 52 E 7.24 4.88 0.00 1.88 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 2.03 2.11 0.00 53 A 7.90 5.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.64 4.62 0.00 3.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.54 5.20 0.00 2.79 2.84 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 56 K 6.95 4.31 0.00 1.72 1.57 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.20 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.33 7.81 57 C 8.59 5.24 0.00 3.23 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.45 4.68 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.20 4.68 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.07 4.59 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 4.33 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00