NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4900 0.0000 0.0000 62.3912 33.7910 174.6283 2 F 5.2352 8.8133 123.7577 56.4349 41.2480 172.7877 3 I 4.1905 9.0355 128.7787 59.3976 39.8052 173.8214 4 E 4.7458 8.2867 128.2446 54.4435 31.5232 174.4927 5 C 4.6900 9.0042 125.1168 58.3606 30.8882 172.6435 6 H 5.4838 8.8572 122.1877 54.3717 29.5145 174.4274 7 I 4.8431 8.7088 116.4031 58.4434 41.4940 174.6868 8 A 5.1567 8.7787 124.3839 51.5726 18.8990 177.6922 9 T 4.2572 8.4836 111.2159 61.9536 69.9480 174.3200 10 G 3.9496 8.5769 110.8621 45.4914 0.0000 171.0837 11 L 3.3769 8.7061 124.7594 54.5781 40.0403 175.3004 12 S 4.4579 8.2063 118.1606 57.4757 65.3026 175.1029 13 V 3.5685 8.3711 122.5474 65.2219 30.8703 178.3186 14 A 3.9474 7.9273 120.7735 54.8639 18.2219 179.4610 15 R 3.8706 7.8070 117.3490 59.3494 30.1046 178.9447 16 K 3.9608 8.2823 118.5030 59.5594 32.0762 179.2318 17 Q 3.9886 8.2976 118.5521 59.1021 28.5413 178.9174 18 Q 3.9337 8.2127 120.4492 58.9322 29.0355 177.7730 19 L 3.9264 8.1764 121.6988 58.3912 42.0635 179.1003 20 I 3.7022 7.9170 119.5372 64.4049 36.9526 178.5250 21 R 3.9285 7.9315 118.8316 59.5057 29.9165 178.8546 22 D 4.3314 8.4068 118.8604 57.3035 40.8225 179.0135 23 V 3.5752 8.1621 119.1098 66.0060 31.4499 178.0958 24 I 3.6913 7.8723 119.5054 64.3654 36.8959 177.7600 25 D 4.2997 8.3023 119.0300 57.5818 41.0295 178.5905 26 V 3.5957 7.9262 118.6030 66.2260 31.4575 178.1718 27 T 3.8790 8.0643 115.6143 66.4141 68.2117 176.2002 28 N 4.5475 8.2687 120.4737 56.0788 38.7891 176.9933 29 K 3.9588 8.0893 118.8850 59.4806 32.2834 179.2900 30 S 4.3048 8.2998 113.5934 60.8289 63.2388 175.0106 31 I 4.2226 7.7139 112.4275 59.4258 38.1284 176.3260 32 G 3.9088 8.4842 109.6186 45.6320 0.0000 174.1184 33 S 4.1463 7.7561 116.7699 58.0966 63.4209 173.3386 34 D 4.4467 8.6942 124.8622 53.7028 41.8223 175.1481 35 P 4.2253 0.0000 0.0000 65.4831 31.4519 177.9074 36 K 4.2894 8.3208 115.4994 57.9165 32.7406 177.3757 37 I 4.4507 8.0403 112.6954 60.5723 37.8408 174.6450 38 I 4.6417 7.4720 121.7658 60.3406 38.5006 174.8886 39 N 5.1846 9.2488 124.0686 51.4162 41.9781 173.6576 40 V 4.9874 8.5356 122.0257 61.0112 34.9745 174.1306 41 L 4.8217 9.0391 129.1369 53.3212 44.9743 174.7036 42 L 5.1662 8.6508 126.3687 53.1633 43.5265 176.2805 43 V 4.4596 8.9806 123.0703 59.9111 34.5764 174.1708 44 E 5.1910 8.7467 123.2916 55.0071 31.9651 174.9758 45 H 5.0858 9.0148 119.3195 53.4687 33.5739 173.0914 46 A 4.2998 8.5951 123.7817 52.1952 19.2806 178.7484 47 E 3.8103 8.8647 120.9430 59.4154 29.6559 179.2387 48 A 4.1932 7.9098 119.6281 54.1048 18.5292 177.4017 49 N 4.7151 8.1659 112.2115 53.3703 39.3064 174.8574 50 M 4.6380 7.6867 118.1101 53.2356 34.3679 175.1631 51 S 4.6309 8.4962 116.8030 56.5140 65.1269 172.7644 52 I 4.3406 8.2815 128.3645 60.8729 38.7625 175.9685 53 S 3.6129 9.4289 120.5592 59.8614 60.1515 172.9835 54 G 3.9410 8.2716 103.7270 46.2713 0.0000 174.1694 55 R 4.1950 7.8573 118.4423 55.3009 31.1245 176.0681 56 I 4.3093 8.0521 122.7616 59.5055 38.4787 174.5684 57 H 4.2248 8.8475 126.3860 55.9337 30.3004 175.1624 58 G 3.5256 8.2934 114.7343 45.9787 0.0000 172.1166 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 P 0.00 4.49 0.00 2.12 2.06 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 2 F 8.81 5.24 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 9.04 4.19 1.81 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 1.06 0.64 0.82 0.00 0.00 4 E 8.29 4.75 0.00 1.31 1.53 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 1.87 2.13 0.00 5 C 9.00 4.69 0.00 2.79 2.77 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 6 H 8.86 5.48 0.00 3.04 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.71 4.84 1.88 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 1.16 0.85 0.91 0.00 0.00 8 A 8.78 5.16 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 9 T 8.48 4.26 4.23 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 0.00 0.00 0.00 1.27 0.00 0.00 10 G 8.58 3.95 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 0.00 11 L 8.71 3.38 0.00 1.76 1.69 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.21 4.46 0.00 4.04 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 13 V 8.37 3.57 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 0.82 0.00 0.00 0.97 0.00 0.00 14 A 7.93 3.95 1.33 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 0.00 0.00 0.00 15 R 7.81 3.87 0.00 1.88 2.11 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 16 K 8.28 3.96 0.00 1.97 1.83 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.70 7.81 17 Q 8.30 3.99 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 18 Q 8.21 3.93 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 19 L 8.18 3.93 0.00 1.86 1.89 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.92 3.70 2.03 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 1.52 0.62 0.92 0.00 0.00 21 R 7.93 3.93 0.00 2.05 1.98 0.00 3.34 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 22 D 8.41 4.33 0.00 2.89 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 23 V 8.16 3.58 2.23 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 1.02 0.00 0.00 0.98 0.00 0.00 24 I 7.87 3.69 2.03 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 1.42 0.57 0.92 0.00 0.00 25 D 8.30 4.30 0.00 2.78 2.80 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 0.00 0.00 0.00 0.00 26 V 7.93 3.60 2.26 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 1.04 0.00 0.00 0.93 0.00 0.00 27 T 8.06 3.88 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 1.22 0.00 0.00 28 N 8.27 4.55 0.00 2.81 3.04 0.00 0.00 6.78 7.38 0.00 0.00 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 8.09 3.96 0.00 1.85 1.86 0.00 1.65 0.00 0.00 2.05 0.00 0.00 3.26 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.49 7.81 30 S 8.30 4.30 0.00 3.99 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 4.22 1.87 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 1.36 0.75 0.91 0.00 0.00 32 G 8.48 3.91 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 0.00 0.00 0.00 33 S 7.76 4.15 0.00 3.91 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 34 D 8.69 4.45 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.22 2.11 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 36 K 8.32 4.29 0.00 1.88 1.93 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.38 7.81 37 I 8.04 4.45 1.88 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 1.41 0.79 0.92 0.00 0.00 38 I 7.47 4.64 1.89 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 1.25 0.80 0.94 0.00 0.00 39 N 9.25 5.18 0.00 2.78 2.76 0.00 0.00 6.02 7.87 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 40 V 8.54 4.99 2.11 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 0.77 0.00 0.00 0.95 0.00 0.00 41 L 9.04 4.82 0.00 2.02 1.51 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.65 5.17 0.00 1.53 1.55 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.98 4.46 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.90 0.00 0.00 44 E 8.75 5.19 0.00 1.80 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 2.20 2.27 0.00 45 H 9.01 5.09 0.00 3.02 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.60 4.30 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 47 E 8.86 3.81 0.00 1.69 1.51 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 2.32 2.14 0.00 48 A 7.91 4.19 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 49 N 8.17 4.72 0.00 2.86 2.85 0.00 0.00 6.78 7.72 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 50 M 7.69 4.64 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 51 S 8.50 4.63 0.00 3.77 3.69 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 52 I 8.28 4.34 1.87 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 1.40 0.85 0.91 0.00 0.00 53 S 9.43 3.61 0.00 3.99 3.92 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 0.00 0.00 0.00 54 G 8.27 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 55 R 7.86 4.19 0.00 2.01 1.87 0.00 3.14 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 56 I 8.05 4.31 1.87 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 1.30 1.12 0.92 0.00 0.00 57 H 8.85 4.22 0.00 3.09 3.23 0.00 5.91 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 58 G 8.29 3.53 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 0.00 0.00 0.00