NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3432 8.1744 110.9433 61.3958 70.3242 173.4289 6 N 4.7617 7.9994 118.7832 53.3794 39.2009 173.3562 7 S 4.4316 8.1623 112.2770 57.5930 64.8158 172.7814 8 D 4.8988 8.5032 121.7601 54.4077 42.4818 174.3552 9 F 5.3517 7.8904 115.2072 55.3520 41.3586 173.9423 10 V 4.5903 8.8459 112.6573 59.5524 35.2234 174.8481 11 V 4.8421 8.5861 123.0553 61.2689 34.3410 174.4079 12 I 5.0103 9.0530 128.2362 59.4286 40.9389 174.0184 13 K 5.0435 9.1388 129.0328 54.1539 34.3616 175.1447 14 A 4.3018 8.7663 130.3367 52.3447 19.2384 177.3395 15 L 4.7461 8.8870 121.7651 54.2705 42.5498 175.8719 16 E 4.6710 7.6584 115.5603 55.1147 32.0236 174.5538 17 D 4.4299 8.3750 119.6048 55.7432 41.3146 177.0778 18 G 3.8831 8.4293 110.5209 45.4431 0.0000 173.8188 19 V 3.8559 7.5994 119.7955 63.1512 32.8094 174.3480 20 N 5.3062 9.1159 124.8741 51.4827 41.3954 173.5344 21 V 4.4958 8.8182 124.9691 61.3768 33.5312 174.2338 22 I 4.4997 8.7049 130.1386 59.3807 39.5858 175.0414 23 G 4.1361 8.8949 115.4340 45.1145 0.0000 172.6604 24 L 5.3540 8.8073 126.7849 53.6173 43.6908 176.5126 25 T 4.4376 8.6627 114.1656 61.4870 69.3280 174.3522 26 R 4.1166 7.9544 126.4222 57.1991 30.7903 174.9022 27 G 3.7670 8.8720 109.3069 44.1538 0.0000 172.8325 28 A 4.0566 8.7634 121.2692 54.6516 18.6015 177.8247 29 D 4.8274 7.8130 113.5315 53.3517 42.6048 176.1459 30 T 4.7155 8.2621 122.0388 61.3862 69.4501 172.6525 31 R 4.8178 8.9206 122.7706 53.6896 33.8949 174.3741 32 F 5.1896 8.7625 118.0401 57.9265 38.8792 175.5882 33 H 4.9601 9.4054 119.1410 56.5068 30.5841 174.4436 34 H 4.8449 7.6806 117.8276 54.6704 33.4479 171.7991 35 S 4.8314 8.3047 119.6099 56.3958 64.4209 172.2961 36 E 4.5232 8.9918 129.1666 54.5231 31.3598 174.4366 37 K 4.9475 8.6054 126.6037 55.1732 33.5333 175.8350 38 L 4.9811 8.8864 125.2931 53.0953 44.8683 176.0407 39 D 4.8885 9.1941 122.8944 52.4722 43.2635 175.9294 40 K 3.9263 8.7315 121.5614 58.6481 32.2616 177.0150 41 G 4.0352 9.1001 115.5433 45.2590 0.0000 173.5324 42 E 4.2246 8.0565 119.6497 56.3278 30.7709 176.0443 43 V 4.9339 8.3057 122.2097 60.9895 34.3213 174.2045 44 L 4.7075 9.2784 129.7311 53.2844 44.7640 174.8161 45 I 5.0245 8.4923 126.8336 59.7162 38.8042 174.7297 46 A 4.7185 8.9299 129.4111 50.0708 21.8412 175.3358 47 Q 4.7994 8.5852 120.7431 54.9550 30.4297 175.7876 48 F 4.7240 8.4249 120.3872 58.0263 39.9119 175.1942 49 T 4.6756 8.7806 111.2209 60.2609 71.8520 172.9382 50 E 4.0066 8.9809 121.2076 59.6179 29.5456 177.5520 51 H 4.5012 8.1467 114.1121 56.5367 29.8080 174.2779 52 T 5.2330 8.1230 116.8472 61.8317 70.8867 174.5335 53 S 4.9820 8.9673 119.8399 57.9630 64.8888 173.3990 54 A 4.9512 7.9136 121.4498 51.0580 22.6708 175.1642 55 I 4.9545 8.5115 120.4466 59.3960 40.7560 174.6583 56 K 4.5635 8.9924 128.4348 54.5616 34.5827 174.7065 57 V 4.7765 8.3876 126.7871 61.2758 33.3616 174.5758 58 R 4.5504 9.1904 127.4189 55.6488 32.6769 176.9338 59 G 4.2224 8.9458 108.3818 44.4875 0.0000 172.7525 60 K 4.6075 9.5871 118.5933 55.6811 32.9034 176.5857 61 A 5.0663 8.5355 124.8298 50.8331 23.3438 173.8156 62 Y 5.1435 9.0167 121.9829 56.1400 41.1369 174.5409 63 I 4.9521 8.4072 127.0706 59.4912 40.9581 174.3119 64 Q 5.0277 9.0847 125.8015 54.2733 31.9681 174.8522 65 T 4.8588 8.7080 112.9946 59.4505 72.5196 174.5004 66 R 3.7081 8.5849 120.8764 59.7879 29.7459 176.4189 67 H 4.6661 8.1195 112.1270 55.3064 29.2549 173.9967 68 G 3.7362 7.0684 106.4354 44.1231 0.0000 173.3250 69 V 4.7099 7.7765 112.2446 60.0741 34.4276 175.1845 70 I 4.3480 7.8860 120.5104 60.3405 41.9550 172.6437 71 E 5.3254 8.6846 126.3411 54.5132 31.5838 176.1972 72 S 4.5724 8.7876 119.2646 58.2388 64.8774 172.8729 73 E 4.8431 8.5265 119.2621 54.4447 33.7817 176.1236 74 G 3.7314 8.5739 108.7598 45.9658 0.0000 173.8672 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 5 T 8.17 4.34 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 6 N 8.00 4.76 0.00 2.79 2.84 0.00 0.00 7.18 6.75 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 7 S 8.16 4.43 0.00 4.11 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 8 D 8.50 4.90 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.89 5.35 0.00 2.98 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 10 V 8.85 4.59 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.82 0.00 0.00 11 V 8.59 4.84 2.13 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 1.06 0.00 0.00 1.17 0.00 0.00 12 I 9.05 5.01 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.91 0.00 0.00 13 K 9.14 5.04 0.00 1.88 1.81 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 14 A 8.77 4.30 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.89 4.75 0.00 1.60 1.70 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.67 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 17 D 8.37 4.43 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 3.88 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 0.00 0.00 0.00 19 V 7.60 3.86 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 1.03 0.00 0.00 1.05 0.00 0.00 20 N 9.12 5.31 0.00 2.64 2.59 0.00 0.00 6.26 7.73 0.00 0.00 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 V 8.82 4.50 2.02 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 0.97 0.00 0.00 0.89 0.00 0.00 22 I 8.70 4.50 1.51 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.34 -0.37 0.00 0.00 23 G 8.89 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 0.00 0.00 0.00 0.00 24 L 8.81 5.35 0.00 1.93 1.69 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.66 4.44 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 1.37 0.00 0.00 26 R 7.95 4.12 0.00 1.86 1.94 0.00 3.21 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.76 4.06 1.30 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 0.00 0.00 29 D 7.81 4.83 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.72 4.27 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 1.27 0.00 0.00 31 R 8.92 4.82 0.00 1.86 2.02 0.00 2.79 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 32 F 8.76 5.19 0.00 2.85 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 33 H 9.41 4.96 0.00 3.14 3.50 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.68 4.84 0.00 3.13 2.96 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.30 4.83 0.00 3.69 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.99 4.52 0.00 2.13 1.75 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 2.22 2.30 0.00 37 K 8.61 4.95 0.00 1.66 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.42 7.81 38 L 8.89 4.98 0.00 1.54 1.53 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.19 4.89 0.00 2.58 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.73 3.93 0.00 1.70 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.31 7.81 41 G 9.10 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 4.22 0.00 2.06 1.88 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 2.32 2.26 0.00 43 V 8.31 4.93 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 0.81 0.00 0.00 0.96 0.00 0.00 44 L 9.28 4.71 0.00 1.70 1.45 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.02 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.65 0.00 0.00 46 A 8.93 4.72 1.11 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 0.00 0.00 47 Q 8.59 4.80 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 48 F 8.42 4.72 0.00 3.04 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 49 T 8.78 4.68 4.30 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 1.31 0.00 0.00 50 E 8.98 4.01 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 51 H 8.15 4.50 0.00 3.21 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.12 5.23 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 53 S 8.97 4.98 0.00 3.77 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 0.00 54 A 7.91 4.95 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 55 I 8.51 4.95 1.88 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.90 0.00 0.00 56 K 8.99 4.56 0.00 1.79 1.56 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 57 V 8.39 4.78 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.19 4.55 0.00 1.75 1.79 0.00 3.18 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 59 G 8.95 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 0.00 0.00 0.00 0.00 60 K 9.59 4.61 0.00 1.85 1.78 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.25 7.81 61 A 8.54 5.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.02 5.14 0.00 3.03 2.81 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 63 I 8.41 4.95 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.83 0.00 0.00 64 Q 9.08 5.03 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 65 T 8.71 4.86 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 1.16 0.00 0.00 66 R 8.58 3.71 0.00 1.67 1.75 0.00 3.39 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 67 H 8.12 4.67 0.00 3.18 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.07 3.74 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 0.00 0.00 0.00 69 V 7.78 4.71 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.97 0.00 0.00 70 I 7.89 4.35 1.82 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 1.22 1.13 0.85 0.00 0.00 71 E 8.68 5.33 0.00 1.91 1.88 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 2.42 2.45 0.00 72 S 8.79 4.57 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.53 4.84 0.00 1.82 1.85 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 2.21 2.30 0.00 74 G 8.57 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00