NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4064 8.3049 120.3486 55.3642 32.6961 173.9398 2 E 4.4185 7.7846 120.3083 51.3243 31.8177 173.7389 3 P 4.2216 0.0000 0.0000 62.8271 32.7451 174.1882 4 N 4.8757 8.3382 117.0946 51.2711 40.4746 173.0533 5 P 4.4114 0.0000 0.0000 65.8356 31.9510 177.8798 6 N 4.5645 7.9130 110.9755 53.9983 38.2911 176.2903 7 R 4.4095 7.6029 119.3243 55.0090 29.0386 175.9993 8 Q 4.2259 7.5405 116.3619 55.0501 29.8481 175.0284 9 P 4.3383 0.0000 0.0000 62.5156 31.9625 176.4308 10 V 3.9953 8.1131 120.6951 60.3554 31.7238 175.6352 11 E 4.1141 8.6103 123.7707 55.5707 30.3901 176.0625 12 L 4.2319 7.9414 118.7621 54.6518 45.0098 172.9303 13 N 4.9048 8.0344 123.5105 50.8187 39.3428 175.8037 14 R 3.8749 8.4929 119.5779 58.8256 30.2073 176.9081 15 T 4.3236 8.2148 112.1109 63.2369 70.4741 175.7854 16 S 4.1317 8.5025 117.6878 61.1713 62.1050 175.9545 17 L 4.0514 7.9064 122.1251 59.1096 40.3227 178.4325 18 Y 4.0969 8.3419 115.8383 59.9807 37.9261 177.8406 19 L 4.5341 7.6976 120.0348 56.6189 42.5640 179.0464 20 G 3.5254 7.9614 105.5338 47.7451 0.0000 175.3930 21 L 4.0320 9.5713 123.2778 58.6420 41.9085 177.9130 22 L 4.0639 8.2560 120.2552 56.1169 41.8734 178.5759 23 L 3.7746 8.0279 119.3005 58.1178 42.6197 179.6293 24 I 3.6739 8.2551 118.9925 63.9947 38.0487 177.5661 25 L 3.9593 7.7726 121.1157 57.9547 41.8932 179.3641 26 V 3.6235 8.3537 119.6057 64.7560 31.4786 177.8518 27 L 3.9007 8.0380 121.3177 58.2753 41.4883 178.3995 28 A 4.0697 8.1283 119.7374 54.6760 18.3613 178.9094 29 L 4.0485 7.7625 117.9923 58.9651 42.7312 178.7381 30 L 4.0340 8.1469 119.6901 57.8929 41.6051 177.7963 31 F 3.9264 8.2784 120.8530 59.7377 39.0616 177.2111 32 S 4.5516 8.6080 114.3481 60.6255 62.2505 175.6768 33 S 4.6244 8.6722 117.4399 62.2459 62.9139 176.5563 34 Y 3.9316 7.8712 114.1995 59.4010 37.8202 176.5375 35 F 4.7100 9.3649 118.8247 59.5251 39.8885 177.6120 36 F 4.5433 8.1816 117.1222 58.5175 39.0236 174.8236 37 N 4.4475 8.5310 123.6595 54.0082 40.2770 173.3648 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 4.41 0.00 1.99 2.07 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 2.48 2.57 0.00 2 E 7.78 4.42 0.00 2.07 1.84 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 2.23 2.30 0.00 3 P 0.00 4.22 0.00 2.16 2.11 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 4 N 8.34 4.88 0.00 2.69 2.74 0.00 0.00 7.03 7.69 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 5 P 0.00 4.41 0.00 2.26 2.28 0.00 3.75 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 2.07 1.98 0.00 6 N 7.91 4.56 0.00 2.78 2.88 0.00 0.00 7.00 7.54 0.00 0.00 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 R 7.60 4.41 0.00 1.89 1.90 0.00 3.33 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 8 Q 7.54 4.23 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 9 P 0.00 4.34 0.00 2.20 2.09 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 10 V 8.11 4.00 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 0.77 0.00 0.00 0.93 0.00 0.00 11 E 8.61 4.11 0.00 2.09 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 2.27 2.23 0.00 12 L 7.94 4.23 0.00 1.57 1.54 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.03 4.90 0.00 2.94 2.89 0.00 0.00 5.85 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 R 8.49 3.87 0.00 1.71 1.87 0.00 2.91 0.00 0.00 2.70 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 15 T 8.21 4.32 4.14 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 1.23 0.00 0.00 16 S 8.50 4.13 0.00 4.03 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 17 L 7.91 4.05 0.00 2.02 1.97 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.34 4.10 0.00 2.90 3.12 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 0.00 0.00 0.00 0.00 19 L 7.70 4.53 0.00 1.87 1.72 0.98 0.84 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 20 G 7.96 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.57 4.03 0.00 1.76 1.62 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.26 4.06 0.00 1.72 1.70 0.92 0.53 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 23 L 8.03 3.77 0.00 1.75 1.90 0.88 1.40 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 24 I 8.26 3.67 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 1.40 1.39 0.99 0.00 0.00 25 L 7.77 3.96 0.00 1.94 1.75 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.35 3.62 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 0.74 0.00 0.00 0.95 0.00 0.00 27 L 8.04 3.90 0.00 2.09 1.85 0.71 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.13 4.07 1.43 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 0.00 0.00 0.00 29 L 7.76 4.05 0.00 1.68 1.89 0.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.15 4.03 0.00 1.85 1.82 0.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.28 3.93 0.00 3.12 3.19 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 32 S 8.61 4.55 0.00 3.97 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 33 S 8.67 4.62 0.00 3.59 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 34 Y 7.87 3.93 0.00 2.41 2.66 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 0.00 0.00 0.00 0.00 35 F 9.36 4.71 0.00 3.09 2.80 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 36 F 8.18 4.54 0.00 3.20 2.96 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 37 N 8.53 4.45 0.00 2.83 2.79 0.00 0.00 7.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00