NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.0671 8.0549 120.3969 63.1630 33.2464 177.1215 5 C 4.5945 8.1793 113.5853 55.7507 40.2558 172.2585 6 S 4.6682 8.5726 113.8128 57.5158 64.7290 173.8986 7 E 4.0683 8.1108 121.0990 56.3888 29.7884 176.8441 8 Q 3.8374 8.4145 121.3371 55.5299 29.3628 176.3121 9 A 3.0777 7.6190 123.9088 52.1160 18.1618 176.8687 10 E 4.6017 8.0800 123.0398 55.0325 31.4613 176.7588 11 T 4.3035 8.6524 114.5483 62.4758 69.4939 175.7769 12 G 4.2084 8.1708 109.5923 43.9322 0.0000 171.4071 13 P 4.3670 0.0000 0.0000 65.3301 31.7613 178.0060 14 C 4.4965 7.9664 115.8363 57.1316 40.6406 173.6167 15 R 4.5995 8.2373 119.2803 56.0401 30.3368 176.3235 16 A 4.3654 7.4823 120.7200 51.4219 21.0560 177.1441 17 M 4.7666 8.3535 117.3952 54.0095 34.0313 173.6877 18 I 4.5567 8.4633 126.5959 58.9037 40.3209 175.0292 19 S 4.3319 8.9018 122.9541 58.5896 62.9387 173.1609 20 R 4.9014 8.3679 125.2703 54.6971 35.2282 173.6129 21 W 5.7699 9.6305 118.9802 55.5518 33.1223 174.6992 22 Y 5.6545 9.2366 120.1045 55.4086 41.5513 173.6850 23 F 4.6341 9.7601 123.9731 57.6846 40.6431 174.2751 24 D 4.7060 7.6123 126.2964 52.5988 41.7389 177.4060 25 V 3.6477 8.5074 120.6267 64.7923 32.0993 178.1895 26 T 3.9842 8.0011 115.3767 66.8371 68.5532 175.4501 27 E 3.9781 8.8203 119.8541 56.6501 29.7620 178.2394 28 G 3.8510 7.9523 106.4948 45.6742 0.0000 172.9134 29 K 4.7751 6.8264 117.0681 54.8234 36.6223 174.8429 30 C 5.0731 8.7892 117.6597 57.1617 42.2019 173.0632 31 A 4.9462 8.7525 122.9864 49.6680 22.7256 173.8199 32 P 4.2679 0.0000 0.0000 62.3451 32.3670 175.7078 33 F 4.7119 8.5360 116.3289 55.8196 41.9065 172.7520 34 F 5.0683 8.5582 118.4243 56.4465 39.9471 174.7007 35 Y 4.9853 8.7577 125.4717 55.8969 40.8079 176.5917 36 G 3.8631 8.3306 113.0942 46.6064 0.0000 175.2368 37 G 3.9309 7.0376 107.6867 45.1472 0.0000 171.7489 38 C 4.9488 6.4406 111.4879 54.3459 45.3716 175.4822 39 G 3.5201 9.4197 107.9867 47.9044 0.0000 173.1201 40 G 3.9384 9.3648 109.7923 45.8764 0.0000 170.8062 41 N 4.9976 8.1774 119.6415 51.3977 40.4498 174.7751 42 R 3.9086 8.3314 116.0243 58.2991 30.7334 177.5862 43 N 4.4777 7.8173 118.2398 52.0127 36.7123 174.7543 44 N 4.8573 6.2507 116.5167 52.8053 40.5558 172.9498 45 F 5.2556 9.5391 125.0290 55.4388 42.3750 176.5648 46 D 4.5850 9.1881 122.8123 56.6333 41.6867 177.0996 47 T 4.6713 7.7623 107.9061 58.9714 73.0700 174.3046 48 E 2.8896 7.1294 122.4450 58.9815 29.4658 179.0237 49 E 3.7510 7.6262 118.1686 59.5323 29.6930 178.5836 50 Y 4.1281 7.7265 119.1812 60.4408 38.7889 176.8161 51 C 2.5249 7.8605 119.4840 59.6651 43.5463 175.7416 52 M 3.7129 7.7505 118.2187 57.7832 31.4667 178.4145 53 A 3.9572 7.3410 120.7490 54.9702 18.6359 179.3265 54 V 3.5821 6.7398 114.7744 64.3456 31.7239 175.3055 55 C 4.1685 7.6589 120.0878 56.6874 41.4384 173.4608 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 4 V 8.05 4.07 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 1.04 0.00 0.00 0.95 0.00 0.00 5 C 8.18 4.59 0.00 3.04 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 6 S 8.57 4.67 0.00 3.98 3.99 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 7 E 8.11 4.07 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 8 Q 8.41 3.84 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 9 A 7.62 3.08 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.60 0.00 1.94 1.91 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 2.15 2.34 0.00 11 T 8.65 4.30 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 12 G 8.17 4.21 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 0.00 13 P 0.00 4.37 0.00 2.16 2.19 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 14 C 7.97 4.50 0.00 2.90 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 15 R 8.24 4.60 0.00 1.73 1.86 0.00 3.17 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 16 A 7.48 4.37 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 17 M 8.35 4.77 0.00 1.78 1.79 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 18 I 8.46 4.56 2.08 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 1.14 0.59 1.01 0.00 0.00 19 S 8.90 4.33 0.00 4.02 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 20 R 8.37 4.90 0.00 0.83 1.84 0.00 3.35 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 21 W 9.63 5.77 0.00 3.51 3.31 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 0.00 0.00 0.00 0.00 22 Y 9.24 5.65 0.00 3.07 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 23 F 9.76 4.63 0.00 3.07 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.61 4.71 0.00 2.28 2.28 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 25 V 8.51 3.65 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 0.95 0.00 0.00 0.96 0.00 0.00 26 T 8.00 3.98 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 27 E 8.82 3.98 0.00 1.97 1.87 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 2.28 2.20 0.00 28 G 7.95 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 0.00 0.00 0.00 29 K 6.83 4.78 0.00 1.90 1.84 0.00 1.32 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.30 7.81 30 C 8.79 5.07 0.00 2.92 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.75 4.95 0.95 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 0.00 0.00 32 P 0.00 4.27 0.00 1.42 1.04 0.00 3.47 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.95 0.00 33 F 8.54 4.71 0.00 3.04 3.03 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 0.00 0.00 0.00 0.00 34 F 8.56 5.07 0.00 2.99 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 35 Y 8.76 4.99 0.00 2.62 2.78 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 36 G 8.33 3.86 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 0.00 0.00 0.00 37 G 7.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.44 4.95 0.00 3.05 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 39 G 9.42 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 9.36 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 0.00 0.00 0.00 41 N 8.18 5.00 0.00 2.72 2.75 0.00 0.00 5.90 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 42 R 8.33 3.91 0.00 1.79 1.98 0.00 3.21 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 43 N 7.82 4.48 0.00 2.92 2.83 0.00 0.00 6.87 7.91 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 44 N 6.25 4.86 0.00 2.59 2.42 0.00 0.00 7.09 7.02 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 45 F 9.54 5.26 0.00 3.37 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 46 D 9.19 4.58 0.00 2.73 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 47 T 7.76 4.67 4.11 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 1.24 0.00 0.00 48 E 7.13 2.89 0.00 1.16 1.12 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 1.89 1.84 0.00 49 E 7.63 3.75 0.00 1.98 1.91 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 2.31 2.32 0.00 50 Y 7.73 4.13 0.00 2.94 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 51 C 7.86 2.52 0.00 2.99 3.08 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 0.00 0.00 0.00 0.00 52 M 7.75 3.71 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 53 A 7.34 3.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.74 3.58 1.44 0.00 0.00 0.00 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 0.27 0.00 0.00 55 C 7.66 4.17 0.00 2.61 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00