NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4035 8.1133 117.4210 56.2079 31.9620 173.2112 2 I 4.7993 8.5836 119.1451 59.3529 40.2205 173.3638 3 C 4.5185 9.5105 124.6612 55.3684 43.5088 173.1640 4 Y 4.8115 7.1043 120.4335 57.3575 39.0859 174.5914 5 N 5.2051 8.1480 118.1351 53.1650 37.8487 172.2611 6 H 5.2887 7.8796 117.2185 55.4199 32.0277 175.2887 7 L 3.6398 8.2320 120.6732 54.9808 40.8794 172.5651 8 G 4.3654 9.6436 106.3461 46.2029 0.0000 173.5517 9 T 4.0515 7.1375 120.9332 63.4293 71.8691 172.9877 10 K 4.2790 7.3210 123.5179 54.3987 31.7422 174.3885 11 P 4.8444 0.0000 0.0000 62.1634 31.7413 175.2757 12 P 4.4271 0.0000 0.0000 64.8300 31.9594 176.4237 13 T 4.5829 7.8397 108.9056 61.2005 70.5988 173.9881 14 T 4.8425 8.2703 112.7923 60.1945 72.3616 173.3265 15 E 4.2990 8.9325 124.8167 55.5914 30.3270 175.2221 16 T 4.4829 8.4126 122.6971 62.4558 67.2296 174.5638 17 C 5.0605 9.0551 125.1310 54.6183 46.7361 173.2442 18 Q 4.3799 8.6162 120.4832 55.7698 28.9707 175.9745 19 E 4.4176 7.8742 118.7792 55.7929 30.2874 177.3274 20 D 4.6742 8.9443 121.4455 56.3921 41.4365 176.2921 21 S 4.7496 7.6494 113.2589 57.3164 66.1669 170.9615 22 C 5.3521 9.0559 119.6941 53.8400 41.0480 172.1585 23 Y 5.1931 8.3533 117.8501 55.0713 41.0238 174.4620 24 K 4.3363 8.1719 122.9685 54.8269 33.8841 174.7680 25 N 5.4736 8.7992 127.3255 51.9184 41.0745 174.3868 26 I 4.4452 7.6180 118.0702 59.8233 38.4134 175.0934 27 W 4.3104 7.4703 115.6436 53.1889 30.2607 175.8807 28 T 3.6269 8.6394 116.3124 60.1155 67.1689 171.4077 29 F 4.4135 7.2834 125.7930 59.2796 44.2710 175.8175 30 D 4.6635 8.6347 115.3257 53.5140 39.4129 175.5970 31 N 4.2066 7.7070 115.3949 54.0348 35.6906 172.3349 32 I 4.5576 8.1726 117.7718 59.9711 42.5661 175.2743 33 I 4.4991 8.3249 126.4684 59.7420 37.2872 174.7415 34 R 4.6865 8.6594 126.3776 54.7894 32.8006 173.9674 35 R 4.5741 7.5778 119.9453 57.0206 32.6992 173.3979 36 G 3.5909 6.1480 105.3793 46.0780 0.0000 170.4981 37 C 4.7892 8.6603 115.9239 54.4441 41.6842 173.2689 38 G 4.0745 8.7189 120.8217 44.7358 0.0000 174.7273 39 C 3.8627 9.1801 125.4407 55.4040 41.2736 172.7069 40 F 3.7869 8.5176 110.2195 58.6493 35.2274 174.2608 41 T 4.3788 7.8331 114.9772 59.3073 68.3861 171.2615 42 P 4.1592 0.0000 0.0000 63.3703 31.6443 177.4261 43 R 4.2222 8.4676 126.4960 54.9534 28.9415 176.8111 44 G 3.9404 7.7456 115.1200 45.7220 0.0000 171.1679 45 D 4.3156 7.6156 113.8881 55.5583 39.0961 174.1459 46 M 4.4690 7.5233 116.4246 52.6165 34.2723 174.8872 47 P 4.0078 0.0000 0.0000 62.7230 31.4274 175.5599 48 G 4.1624 8.1518 108.2312 42.0724 0.0000 170.5306 49 P 4.9003 0.0000 0.0000 61.7680 33.1774 175.3539 50 Y 4.5370 8.8028 118.5541 57.3025 39.1659 175.2218 51 C 5.5597 9.0718 120.5716 55.3089 44.6233 173.5695 52 C 5.1845 9.3348 123.1987 53.8659 47.3690 172.9147 53 E 4.9654 8.1255 115.5009 54.4729 28.9353 174.8492 54 S 4.5799 7.4097 110.9307 57.1216 66.0903 172.5330 55 D 4.2490 8.4728 124.7218 55.3935 40.9930 174.3385 56 K 3.8393 8.1921 130.1249 55.3658 31.7613 174.9154 57 C 3.7973 8.5185 117.3627 57.5317 41.7035 172.3109 58 N 3.9275 8.0883 119.0531 53.8506 36.1316 173.4284 59 L 4.1141 7.7472 123.5658 55.7276 43.0377 173.5539 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 8.11 4.40 0.00 1.89 2.16 0.00 2.81 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 2 I 8.58 4.80 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.03 1.02 0.00 0.00 3 C 9.51 4.52 0.00 2.59 2.53 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 4 Y 7.10 4.81 0.00 2.84 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 5 N 8.15 5.21 0.00 2.63 2.61 0.00 0.00 7.01 9.16 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 6 H 7.88 5.29 0.00 3.44 3.30 0.00 5.88 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.23 3.64 0.00 2.06 1.79 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.64 4.37 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 0.00 9 T 7.14 4.05 4.24 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 1.20 0.00 0.00 10 K 7.32 4.28 0.00 1.51 1.58 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.31 7.81 11 P 0.00 4.84 0.00 2.14 2.12 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 12 P 0.00 4.43 0.00 2.07 2.14 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 13 T 7.84 4.58 4.26 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 1.26 0.00 0.00 14 T 8.27 4.84 4.39 0.00 0.00 0.00 0.00 0.00 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 15 E 8.93 4.30 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 16 T 8.41 4.48 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 17 C 9.06 5.06 0.00 3.03 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 18 Q 8.62 4.38 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 19 E 7.87 4.42 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 20 D 8.94 4.67 0.00 2.75 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 21 S 7.65 4.75 0.00 3.23 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.06 5.35 0.00 2.96 2.98 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 23 Y 8.35 5.19 0.00 3.05 2.95 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 24 K 8.17 4.34 0.00 1.22 0.74 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.11 1.16 7.81 25 N 8.80 5.47 0.00 3.22 3.11 0.00 0.00 6.91 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 26 I 7.62 4.45 1.52 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.69 0.00 0.00 27 W 7.47 4.31 0.00 3.51 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 28 T 8.64 3.63 4.52 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 1.42 0.00 0.00 29 F 7.28 4.41 0.00 3.19 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 30 D 8.63 4.66 0.00 2.90 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 31 N 7.71 4.21 0.00 2.93 2.88 0.00 0.00 6.56 7.23 0.00 0.00 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 I 8.17 4.56 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 1.02 0.00 0.00 33 I 8.32 4.50 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.54 0.93 0.00 0.00 34 R 8.66 4.69 0.00 1.84 1.84 0.00 3.34 0.00 0.00 3.54 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 35 R 7.58 4.57 0.00 1.83 1.94 0.00 3.03 0.00 0.00 2.91 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 36 G 6.15 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.79 0.00 2.95 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 38 G 8.72 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 9.18 3.86 0.00 2.95 2.18 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.52 3.79 0.00 3.25 3.14 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 41 T 7.83 4.38 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 1.19 0.00 0.00 42 P 0.00 4.16 0.00 2.09 2.06 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 43 R 8.47 4.22 0.00 1.80 1.91 0.00 3.27 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 44 G 7.75 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 45 D 7.62 4.32 0.00 2.78 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 46 M 7.52 4.47 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 47 P 0.00 4.01 0.00 2.10 2.02 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 48 G 8.15 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.90 0.00 2.38 2.43 0.00 3.51 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 1.74 1.30 0.00 50 Y 8.80 4.54 0.00 3.07 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 51 C 9.07 5.56 0.00 2.84 2.98 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 52 C 9.33 5.18 0.00 3.14 2.98 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 53 E 8.13 4.97 0.00 2.12 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 2.16 2.26 0.00 54 S 7.41 4.58 0.00 3.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.25 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.84 0.00 1.94 1.95 0.00 2.13 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.58 7.81 57 C 8.52 3.80 0.00 3.23 3.15 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 58 N 8.09 3.93 0.00 2.93 3.04 0.00 0.00 7.35 7.80 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 59 L 7.75 4.11 0.00 1.86 1.71 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00