NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0925 8.2393 119.6790 54.9606 30.3954 174.2178 2 P 3.9839 0.0000 0.0000 62.2724 32.1477 176.5872 3 F 4.9678 8.6360 119.8220 55.5592 40.4487 174.6715 4 M 5.2490 8.3489 121.3002 53.4809 35.3398 173.9655 5 C 4.5926 8.6607 123.3323 59.3914 32.7962 174.3451 6 T 4.5204 8.6745 123.1199 61.5724 66.9873 173.4843 7 W 4.7936 7.9002 133.1814 55.6560 34.1579 173.9522 8 S 4.4158 8.1403 116.9976 58.9661 63.5772 174.4049 9 Y 3.5253 8.6920 122.3632 57.9483 38.1359 168.4057 10 C 4.2579 8.1300 117.5512 58.1886 32.0262 173.8850 11 G 3.7508 9.1620 104.5769 46.4324 0.0000 173.3894 12 K 4.4317 7.5637 119.1670 54.5995 35.5990 176.1994 13 R 4.7742 8.0150 125.3615 55.0358 32.4183 174.8974 14 F 4.9034 8.6186 118.4125 56.5534 43.7124 174.6100 15 T 4.6007 8.2348 113.7539 62.7042 68.8022 174.7012 16 R 3.5440 7.6161 118.6879 54.3404 32.7939 174.7273 17 S 3.9347 6.3338 120.3398 61.3059 62.0136 175.3992 18 D 4.5572 7.7892 121.7035 56.8189 40.7131 178.1170 19 E 3.7697 8.0090 119.1740 59.0215 29.5424 178.6414 20 L 3.6555 7.5755 118.7890 57.0254 41.0479 179.4070 21 Q 3.8978 7.7419 118.6249 59.0750 28.6124 178.5654 22 R 3.7157 7.6447 116.4219 58.2384 30.5092 177.9279 23 H 4.2585 7.6642 118.7106 58.7278 29.5146 176.8548 24 K 3.8907 8.0001 120.7888 58.6985 31.7627 178.4084 25 R 4.0548 7.1863 116.5714 58.1777 30.2470 177.5703 26 T 4.2000 7.2416 113.8149 63.9230 68.8243 174.9337 27 H 4.0960 7.1874 117.6876 57.0692 29.8492 175.8567 28 T 4.7584 7.1287 113.3483 62.0624 69.5462 173.1788 29 G 4.1491 7.3889 123.6400 43.1829 0.0000 175.2998 30 E 3.7069 8.7414 113.5302 56.6472 26.1100 174.6424 31 K 4.1875 7.9000 119.4554 56.6843 32.8085 177.0334 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 R 8.24 4.09 0.00 1.65 1.52 0.00 3.22 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 2 P 0.00 3.98 0.00 2.15 1.97 0.00 3.50 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 3 F 8.64 4.97 0.00 3.36 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.35 5.25 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 5 C 8.66 4.59 0.00 3.48 3.09 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 0.00 0.00 0.00 0.00 6 T 8.67 4.52 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 1.24 0.00 0.00 7 W 7.90 4.79 0.00 3.18 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.14 4.42 0.00 4.08 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 9 Y 8.69 3.53 0.00 3.34 3.22 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 0.00 0.00 0.00 10 C 8.13 4.26 0.00 3.47 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.16 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 4.43 0.00 1.83 1.46 0.00 1.80 0.00 0.00 1.97 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.90 1.29 7.81 13 R 8.02 4.77 0.00 1.54 1.73 0.00 3.18 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 14 F 8.62 4.90 0.00 2.99 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 15 T 8.23 4.60 4.29 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 1.27 0.00 0.00 16 R 7.62 3.54 0.00 1.70 1.58 0.00 3.09 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.00 17 S 6.33 3.93 0.00 3.71 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.79 4.56 0.00 2.70 2.54 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 0.00 0.00 0.00 0.00 19 E 8.01 3.77 0.00 1.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 20 L 7.58 3.66 0.00 1.73 1.70 1.23 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.74 3.90 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 22 R 7.64 3.72 0.00 1.68 1.90 0.00 3.14 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 23 H 7.66 4.26 0.00 2.98 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.00 3.89 0.00 1.88 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.34 7.81 25 R 7.19 4.05 0.00 1.58 1.89 0.00 3.15 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 26 T 7.24 4.20 4.06 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 1.07 0.00 0.00 27 H 7.19 4.10 0.00 2.34 1.31 0.00 5.59 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.13 4.76 4.22 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 0.00 0.00 1.35 0.00 0.00 29 G 7.39 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 0.00 0.00 0.00 30 E 8.74 3.71 0.00 2.04 1.94 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 2.23 2.32 0.00 31 K 7.90 4.19 0.00 1.80 1.71 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.38 7.81