NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 I 4.0032 8.0249 121.4331 60.0078 38.6285 174.8671 7 P 3.5560 0.0000 0.0000 62.4036 31.8566 175.5184 8 I 3.0329 7.2580 124.9839 63.7142 38.9817 176.5469 9 W 4.5276 5.7127 112.8142 56.9156 27.7448 176.1104 10 E 4.6142 8.6399 119.8921 56.8263 31.3096 176.5545 11 R 4.2620 7.2350 113.7485 55.8351 30.6448 175.4788 12 Y 4.7946 7.0596 114.6589 57.4484 39.7323 175.2610 13 T 4.9634 6.9573 108.7083 60.0563 72.1551 173.0340 14 L 4.7214 9.5405 123.0838 53.2732 44.8803 177.0770 15 T 4.4390 8.0400 112.8835 60.9466 71.6915 175.6216 16 I 3.5219 8.1384 120.7329 64.3128 36.9901 178.4706 17 E 4.0315 7.9026 119.4009 59.1250 29.7339 178.9542 18 E 3.9498 7.9144 120.0465 58.5569 29.3645 179.2959 19 A 4.1332 8.8123 122.1254 55.2534 18.5633 179.5438 20 S 4.0561 8.6491 113.4398 62.3708 62.5598 176.4487 21 K 4.1582 8.0258 121.2885 58.5706 31.8871 178.2888 22 Y 3.9985 8.7180 121.2614 60.2261 40.4156 177.8874 23 F 4.2029 8.5450 119.6962 55.1189 37.4644 175.2535 24 R 4.5984 7.4146 120.6503 55.2284 30.0838 175.7199 25 I 4.5891 7.6250 119.6936 58.1449 41.7413 174.7388 26 G 3.7555 8.7838 114.2122 46.1417 0.0000 173.4556 27 E 3.9940 9.1403 126.6816 59.7612 29.4031 178.6701 28 N 4.4328 8.1531 115.6171 55.8758 38.4906 177.5049 29 K 3.9826 8.4532 120.5336 59.4686 32.3859 179.0442 30 L 3.9557 8.0077 118.7712 58.2274 41.4134 179.6676 31 R 4.0198 7.9331 117.7637 59.3696 30.1252 178.7133 32 R 4.0666 8.1441 118.0434 58.8706 29.7642 178.7564 33 L 4.1023 8.8990 119.7672 58.0834 41.5085 178.7296 34 A 3.9686 8.1883 119.2458 55.6940 18.4235 178.9480 35 E 3.9668 8.0731 116.8176 59.2508 29.7141 179.3976 36 E 4.1914 7.8652 118.1288 58.0179 31.2961 177.5595 37 N 4.7873 8.9588 118.6979 51.1139 34.2985 175.6712 38 K 3.4200 7.7618 120.4391 60.1005 32.8717 177.8416 39 N 4.6573 7.7891 113.6186 52.6423 39.0065 174.8523 40 A 3.6712 8.2775 122.9921 52.4789 18.4929 178.8478 41 N 4.4844 8.2945 118.2879 54.1566 39.3427 175.1584 42 W 4.9838 6.5984 112.7792 56.6490 30.4391 175.3437 43 L 4.8701 6.7874 120.4977 55.0760 41.9888 176.4866 44 I 4.4431 8.2070 120.6000 60.3094 41.3439 174.3482 45 M 4.3894 8.7261 128.0270 54.3986 32.2438 176.5153 46 N 4.5156 8.9957 123.9854 52.1375 37.2481 174.8317 47 G 4.2170 9.2859 114.0527 45.1639 0.0000 171.3772 48 N 4.9450 7.5542 114.1360 53.4811 44.5612 175.0345 49 R 4.1685 7.9251 118.2393 55.7644 30.8180 175.5052 50 I 4.5716 8.1367 123.7149 60.9358 38.4606 175.0563 51 Q 4.7140 8.7842 125.6139 54.4769 32.2912 173.9846 52 I 4.7166 10.2211 125.4352 60.1093 39.3494 175.1377 53 K 4.1824 8.7500 127.5254 56.3195 33.2159 177.5139 54 R 4.4182 8.3427 121.2808 58.1664 30.5183 178.2710 55 K 4.1209 7.8831 117.8075 59.8138 31.7344 178.9838 56 Q 4.1851 8.0196 118.7316 58.9242 29.1160 178.4125 57 F 4.1583 7.8881 119.2805 60.9926 39.3703 176.9667 58 E 4.3112 9.3637 119.2397 59.8267 29.4477 179.1055 59 K 4.3021 7.8924 116.6537 58.4784 32.1823 178.0437 60 I 4.4502 8.2135 112.2799 61.3004 39.2248 177.9504 61 I 4.1748 7.8467 120.7490 65.0915 38.0835 176.1501 62 D 4.6049 7.9117 116.3288 55.9858 40.8272 177.4184 63 T 4.1872 7.7077 115.9344 65.5068 69.1508 174.6718 64 L 4.2049 7.8763 125.4319 54.9535 41.6070 176.5841 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 6 I 8.02 4.00 1.77 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 1.40 1.04 0.80 0.00 0.00 7 P 0.00 3.56 0.00 2.18 2.23 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 8 I 7.26 3.03 1.36 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.01 -0.39 0.00 0.00 9 W 5.71 4.53 0.00 3.48 3.43 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 10 E 8.64 4.61 0.00 2.01 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 0.00 2.46 2.48 0.00 11 R 7.24 4.26 0.00 1.51 1.70 0.00 2.78 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 0.00 12 Y 7.06 4.79 0.00 3.12 3.24 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 13 T 6.96 4.96 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 1.35 0.00 0.00 14 L 9.54 4.72 0.00 1.57 1.60 0.67 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.04 4.44 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 16 I 8.14 3.52 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.14 0.93 0.00 0.00 17 E 7.90 4.03 0.00 2.17 2.19 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 2.33 2.21 0.00 18 E 7.91 3.95 0.00 1.95 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 2.22 2.29 0.00 19 A 8.81 4.13 1.28 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 0.00 0.00 20 S 8.65 4.06 0.00 4.03 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 0.00 21 K 8.03 4.16 0.00 1.96 1.88 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.64 7.81 22 Y 8.72 4.00 0.00 2.95 3.04 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 23 F 8.54 4.20 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.41 4.60 0.00 1.72 1.94 0.00 3.35 0.00 0.00 3.71 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 25 I 7.63 4.59 2.07 0.00 0.00 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 1.43 0.79 0.92 0.00 0.00 26 G 8.78 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.14 3.99 0.00 2.05 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 2.40 2.44 0.00 28 N 8.15 4.43 0.00 2.82 2.87 0.00 0.00 7.19 7.44 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 29 K 8.45 3.98 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 30 L 8.01 3.96 0.00 1.83 1.75 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.93 4.02 0.00 1.91 1.95 0.00 3.10 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 32 R 8.14 4.07 0.00 2.10 1.99 0.00 3.37 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 33 L 8.90 4.10 0.00 2.01 2.10 0.83 -0.02 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 34 A 8.19 3.97 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 35 E 8.07 3.97 0.00 2.08 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 0.00 2.42 2.52 0.00 36 E 7.87 4.19 0.00 2.06 2.29 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 2.34 2.33 0.00 37 N 8.96 4.79 0.00 2.64 2.98 0.00 0.00 6.57 7.35 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 38 K 7.76 3.42 0.00 1.70 1.89 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.21 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.54 1.41 7.81 39 N 7.79 4.66 0.00 2.60 2.73 0.00 0.00 6.80 7.30 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 40 A 8.28 3.67 -0.22 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 41 N 8.29 4.48 0.00 2.66 2.87 0.00 0.00 6.82 7.96 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 42 W 6.60 4.98 0.00 3.64 3.28 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 43 L 6.79 4.87 0.00 1.45 0.13 0.63 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.21 4.44 1.92 0.00 0.00 1.00 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 0.60 1.00 0.00 0.00 45 M 8.73 4.39 0.00 1.88 2.01 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 2.51 2.53 0.00 46 N 9.00 4.52 0.00 2.70 2.79 0.00 0.00 7.09 7.90 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 47 G 9.29 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 48 N 7.55 4.94 0.00 2.64 2.76 0.00 0.00 7.00 7.65 0.00 0.00 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 R 7.93 4.17 0.00 1.90 1.82 0.00 3.15 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 50 I 8.14 4.57 1.90 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 1.23 0.49 0.99 0.00 0.00 51 Q 8.78 4.71 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.37 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 52 I 10.22 4.72 1.73 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 0.55 0.00 0.00 53 K 8.75 4.18 0.00 2.22 1.88 0.00 1.75 0.00 0.00 2.01 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.53 7.81 54 R 8.34 4.42 0.00 2.34 2.22 0.00 2.85 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 55 K 7.88 4.12 0.00 1.97 1.94 0.00 1.68 0.00 0.00 1.92 0.00 0.00 3.15 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.62 1.71 7.81 56 Q 8.02 4.19 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.15 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 57 F 7.89 4.16 0.00 3.08 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 58 E 9.36 4.31 0.00 2.35 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 2.49 2.55 0.00 59 K 7.89 4.30 0.00 1.90 1.91 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.77 1.66 7.81 60 I 8.21 4.45 1.85 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.69 0.89 0.00 0.00 61 I 7.85 4.17 2.04 0.00 0.00 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 1.41 1.17 1.01 0.00 0.00 62 D 7.91 4.60 0.00 2.72 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 63 T 7.71 4.19 4.33 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 0.00 0.00 0.00 1.22 0.00 0.00 64 L 7.88 4.20 0.00 1.71 1.62 1.14 0.90 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