NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5319 8.1833 119.4397 57.6263 41.5057 177.0554 2 L 3.9778 7.8435 120.2760 57.0982 41.4142 177.8497 3 D 4.4354 8.2926 118.9776 57.4195 41.3041 178.5148 4 G 3.6067 7.9484 105.5144 47.8650 0.0000 175.4434 5 I 3.5488 7.3333 121.3261 63.9200 36.8351 177.8135 6 D 4.5295 8.1273 118.8659 57.5284 40.7563 178.7468 7 K 4.0075 7.6040 117.1518 59.3661 32.0572 179.3439 8 A 3.5848 7.7541 121.5282 54.8091 18.1414 179.3621 9 Q 3.9023 9.3719 118.4035 59.3146 29.0973 178.2380 10 E 3.9347 7.9276 120.1868 59.2581 29.6607 178.3690 11 E 4.1258 8.0655 119.1510 59.5446 29.3682 178.2232 12 H 4.0662 8.3922 118.3032 59.3059 29.7302 176.8059 13 E 3.9071 8.0302 119.7500 59.2506 29.5183 178.5691 14 K 3.7726 7.8393 117.4355 58.8102 32.1057 177.2846 15 Y 4.6939 7.2092 111.2445 56.5993 40.1678 174.6263 16 H 3.7744 9.3025 117.1028 56.1027 26.9943 175.3201 17 S 4.2993 7.9716 111.5237 58.3083 63.8537 174.1650 18 N 4.7069 8.3559 119.0236 52.4251 40.4212 176.3794 19 W 4.4089 8.7533 119.6127 60.0171 28.1225 178.6512 20 R 2.8517 6.4603 118.1113 58.4659 29.3410 178.7080 21 A 3.8699 7.5537 119.9795 55.4878 18.5760 179.3931 22 M 4.3726 7.9798 116.5678 58.5033 31.9784 178.8227 23 A 4.2382 8.5658 121.2922 55.5883 18.4227 179.9767 24 S 4.1067 7.7979 111.8672 61.6971 62.9369 176.2652 25 D 4.3271 8.4748 121.3101 56.5157 40.6301 177.9033 26 F 4.5896 8.0405 114.2999 55.8542 40.1187 175.0233 27 N 4.2805 8.1718 115.0767 54.4171 36.5562 174.0169 28 L 4.7810 7.7842 115.5154 52.0212 44.4605 175.6794 29 P 4.5265 0.0000 0.0000 62.2220 32.9366 175.5505 30 P 4.1400 0.0000 0.0000 65.9465 30.8150 178.5534 31 V 3.4795 7.6589 117.4165 65.8927 31.1576 178.0758 32 V 3.5607 7.6418 115.4579 65.9898 31.5757 177.3611 33 A 4.2458 7.8458 120.3959 55.2305 18.3019 179.7337 34 K 3.9279 9.4874 117.1790 59.5330 32.0247 179.1453 35 E 3.9494 8.2649 119.6468 59.2964 29.6026 178.8952 36 I 3.6865 7.5463 119.7358 64.4045 36.9235 178.5512 37 V 3.6368 7.8164 117.4342 65.9182 31.5171 177.4162 38 A 4.1317 7.7913 119.7230 55.2441 18.2445 179.3979 39 S 4.4930 7.7864 112.6995 60.0595 63.3201 174.5975 40 C 4.3346 7.7133 121.8220 58.5595 31.4841 173.4976 41 D 4.4319 8.6360 129.6240 57.2185 40.2394 178.9565 42 K 4.0307 7.9449 117.9731 59.4502 32.3306 177.9647 43 C 4.3170 7.9818 114.6034 61.7479 28.1684 174.3188 44 Q 3.9967 7.9076 121.5834 58.2116 29.0457 176.0323 45 L 4.2192 7.9760 126.8960 54.2419 41.5782 178.0923 46 K 4.3757 8.3966 129.8990 55.2880 31.8270 176.8792 47 G 3.7774 7.6369 116.6153 44.8180 0.0000 175.4614 48 E 3.3806 9.8874 126.1059 55.7593 29.6460 176.4699 49 A 3.8436 9.0495 114.6128 52.9086 19.8963 179.4675 50 M 4.7996 7.8707 115.0782 53.7334 35.3703 176.1803 51 H 3.9170 9.6617 123.2531 57.4863 28.2611 172.9675 52 G 3.9162 7.7950 107.1001 46.1916 0.0000 173.0402 53 Q 4.2743 8.5044 118.1563 55.1778 28.7420 174.6442 54 V 3.1914 7.5098 121.9148 62.1152 32.0628 171.7997 55 D 4.4732 8.4736 121.1218 54.4862 41.0992 176.0939 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 F 8.18 4.53 0.00 3.16 3.17 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 0.00 0.00 0.00 2 L 7.84 3.98 0.00 1.81 1.73 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.29 4.44 0.00 2.69 2.72 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 4 G 7.95 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.33 3.55 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.87 0.00 0.00 6 D 8.13 4.53 0.00 2.80 2.76 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 7 K 7.60 4.01 0.00 1.96 2.01 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.46 7.81 8 A 7.75 3.58 0.57 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 0.00 0.00 9 Q 9.37 3.90 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 10 E 7.93 3.93 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 2.33 2.32 0.00 11 E 8.07 4.13 0.00 2.41 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 2.50 2.63 0.00 12 H 8.39 4.07 0.00 3.39 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.03 3.91 0.00 2.00 2.04 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 2.25 2.31 0.00 14 K 7.84 3.77 0.00 1.50 0.74 0.00 1.71 0.00 0.00 1.95 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.56 7.81 15 Y 7.21 4.69 0.00 2.92 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 16 H 9.30 3.77 0.00 3.12 3.36 0.00 5.66 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 17 S 7.97 4.30 0.00 3.97 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 18 N 8.36 4.71 0.00 2.59 2.60 0.00 0.00 6.65 7.68 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 19 W 8.75 4.41 0.00 3.62 3.42 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 0.00 20 R 6.46 2.85 0.00 1.22 1.41 0.00 2.69 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 21 A 7.55 3.87 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 22 M 7.98 4.37 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.74 0.00 23 A 8.57 4.24 1.69 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 0.00 0.00 24 S 7.80 4.11 0.00 3.97 3.90 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 25 D 8.47 4.33 0.00 2.77 2.20 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 0.00 26 F 8.04 4.59 0.00 3.04 3.11 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 27 N 8.17 4.28 0.00 2.88 2.90 0.00 0.00 6.78 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 28 L 7.78 4.78 0.00 1.70 1.58 0.89 1.07 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 29 P 0.00 4.53 0.00 2.24 2.19 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 30 P 0.00 4.14 0.00 1.63 1.36 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 31 V 7.66 3.48 2.06 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 0.99 0.00 0.00 0.87 0.00 0.00 32 V 7.64 3.56 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 0.84 0.00 0.00 0.90 0.00 0.00 33 A 7.85 4.25 1.64 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 0.00 0.00 34 K 9.49 3.93 0.00 1.70 1.68 0.00 0.67 0.00 0.00 1.09 0.00 0.00 2.56 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.59 0.69 7.81 35 E 8.26 3.95 0.00 2.13 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 0.00 2.30 2.50 0.00 36 I 7.55 3.69 2.07 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 1.39 1.14 0.85 0.00 0.00 37 V 7.82 3.64 2.35 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 0.91 0.00 0.00 1.21 0.00 0.00 38 A 7.79 4.13 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 39 S 7.79 4.49 0.00 3.97 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 40 C 7.71 4.33 0.00 2.90 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 41 D 8.64 4.43 0.00 2.74 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 42 K 7.94 4.03 0.00 1.74 1.81 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.48 7.81 43 C 7.98 4.32 0.00 3.08 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 4.00 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 45 L 7.98 4.22 0.00 1.68 1.64 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.40 4.38 0.00 1.72 1.75 0.00 1.95 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.42 7.81 47 G 7.64 3.78 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 0.00 0.00 0.00 48 E 9.89 3.38 0.00 2.05 1.18 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 2.22 2.30 0.00 49 A 9.05 3.84 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 50 M 7.87 4.80 0.00 1.97 1.26 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 2.52 0.00 51 H 9.66 3.92 0.00 3.21 3.36 0.00 5.94 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 52 G 7.80 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 0.00 0.00 0.00 53 Q 8.50 4.27 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.14 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 54 V 7.51 3.19 2.06 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 0.79 0.00 0.00 0.89 0.00 0.00 55 D 8.47 4.47 0.00 2.67 2.51 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 0.00