NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3127 8.3044 120.3263 53.2638 34.1387 174.8003 2 K 4.2168 7.9818 132.5455 52.1003 33.4900 173.4353 3 P 4.5369 0.0000 0.0000 63.2030 32.8105 174.9836 4 V 4.7782 8.1590 119.3497 61.4528 35.2780 174.1519 5 T 4.9964 8.1889 112.4323 58.8886 72.0415 174.6283 6 L 3.4960 8.6814 122.8288 59.5660 39.8087 179.1537 7 Y 4.3184 7.4497 115.8247 60.6539 37.9290 177.5036 8 D 4.3310 8.1700 119.3159 57.1500 41.2857 178.4875 9 V 3.5142 7.4422 118.1079 65.7674 31.5348 177.6422 10 A 3.9856 7.9267 120.5279 55.2693 17.9027 179.0777 11 E 3.8858 8.4922 118.0545 59.6332 29.4184 178.5317 12 Y 3.7080 7.8014 117.8361 60.6793 39.0841 177.4493 13 A 4.2027 8.2180 119.9326 52.8901 18.6224 177.7240 14 G 3.7274 7.7347 104.8084 46.6065 0.0000 173.2566 15 V 4.4974 7.6360 113.1871 58.8282 35.3110 175.7625 16 S 4.6192 8.1407 114.0793 57.8146 64.7787 174.3719 17 Y 4.2306 7.9527 122.9498 59.7822 37.4586 177.6899 18 Q 4.1670 7.2359 120.5507 57.6588 28.6924 178.2877 19 T 3.8513 7.5191 116.1903 66.4980 68.8322 176.1592 20 V 3.7460 7.5910 119.8651 66.2786 31.6027 178.2712 21 S 4.2052 8.2051 113.4954 60.9788 62.8541 176.2136 22 R 4.0466 7.7171 122.4284 59.2104 29.5140 178.5612 23 V 3.6460 7.7045 117.3743 66.1052 31.7650 177.7392 24 V 3.7435 7.8802 116.2304 65.0542 31.4513 176.4508 25 N 4.7905 8.4181 114.8461 52.8118 39.4200 175.5732 26 Q 3.3548 7.9932 114.3397 56.9006 25.6290 172.0674 27 A 4.5652 7.7790 120.7334 51.0185 21.2362 175.9265 28 S 4.4548 7.6749 111.3063 60.7216 64.4729 175.5770 29 H 4.7641 7.5229 122.9831 54.7608 28.3967 175.0168 30 V 4.1492 8.1469 120.0021 61.7267 32.4383 176.6047 31 S 4.6388 8.3580 111.4097 57.1489 64.9068 178.5349 32 A 4.1207 7.8290 121.8993 54.4074 18.1710 179.6491 33 K 3.7130 8.0169 116.2427 60.3871 32.5321 179.1654 34 T 4.0412 8.1365 115.6845 66.0059 68.4478 176.7477 35 R 3.9010 7.5178 120.7177 59.9276 29.8298 178.2896 36 E 4.1088 7.5035 116.2492 58.7706 29.2865 179.0200 37 K 4.2129 8.0951 119.0198 58.9201 32.2756 179.3511 38 V 3.6527 7.7218 118.2098 66.0295 31.3397 177.7213 39 E 4.0482 8.0342 116.9458 59.2423 29.3677 178.9752 40 A 4.1662 7.8751 120.5430 54.8961 18.3003 179.5377 41 A 3.9318 8.0395 119.3773 55.6913 18.4078 179.5739 42 M 4.0022 8.2723 116.4661 58.6302 31.6898 178.6423 43 A 4.1036 7.4282 120.0801 54.9137 18.9411 179.1334 44 E 3.9256 7.8364 115.9534 59.5028 29.7929 179.0435 45 L 4.0083 7.3902 118.8890 54.8440 43.2454 175.4765 46 N 4.1412 8.0180 116.5020 53.5970 35.9101 171.6568 47 Y 4.4068 8.2861 119.7805 57.9471 39.6614 175.6540 48 I 4.3013 8.4392 128.8103 58.6910 38.9643 173.7433 49 P 4.3631 0.0000 0.0000 62.5072 32.5739 175.6811 50 N 4.6866 8.5075 118.4110 52.4103 39.3318 176.8598 51 R 3.9908 8.5171 122.9497 58.8022 30.0573 179.3078 52 V 3.5515 7.7113 117.9065 65.9468 31.5020 177.7717 53 A 3.9803 7.9276 120.0842 55.1504 18.2272 179.1730 54 Q 3.9305 8.2521 117.9230 58.6688 28.9785 178.0670 55 Q 4.2062 7.7075 118.7194 57.9601 29.0656 177.6822 56 L 3.9102 7.9855 120.2638 58.2538 42.3554 178.6359 57 A 4.3797 7.6217 118.3070 53.5367 18.7234 179.7753 58 G 3.7603 7.3153 106.9107 44.3007 0.0000 170.6357 59 K 3.7122 8.0840 125.9081 55.1732 33.1013 174.7899 60 Q 4.2436 8.3274 122.7395 55.4494 29.5239 175.6609 61 S 4.3059 8.3191 115.0239 57.8482 63.2235 173.8946 62 L 4.1864 8.4356 127.9703 55.3277 41.8658 176.0492 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 M 8.30 4.31 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 K 7.98 4.22 0.00 1.75 1.72 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.57 7.81 3 P 0.00 4.54 0.00 2.15 2.07 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 4 V 8.16 4.78 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 0.81 0.00 0.00 1.05 0.00 0.00 5 T 8.19 5.00 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 6 L 8.68 3.50 0.00 1.77 1.99 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.45 4.32 0.00 3.05 2.88 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 8 D 8.17 4.33 0.00 2.75 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 9 V 7.44 3.51 1.76 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 1.07 0.00 0.00 0.25 0.00 0.00 10 A 7.93 3.99 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 3.89 0.00 2.22 2.24 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 2.35 2.35 0.00 12 Y 7.80 3.71 0.00 3.18 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 13 A 8.22 4.20 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.73 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 15 V 7.64 4.50 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 0.85 0.00 0.00 0.98 0.00 0.00 16 S 8.14 4.62 0.00 3.79 3.58 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 17 Y 7.95 4.23 0.00 2.98 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 18 Q 7.24 4.17 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.35 1.69 0.00 19 T 7.52 3.85 4.38 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 0.00 0.00 0.00 1.20 0.00 0.00 20 V 7.59 3.75 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 1.05 0.00 0.00 1.07 0.00 0.00 21 S 8.21 4.21 0.00 4.14 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 22 R 7.72 4.05 0.00 1.88 2.18 0.00 3.25 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 23 V 7.70 3.65 2.22 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 0.83 0.00 0.00 1.07 0.00 0.00 24 V 7.88 3.74 2.16 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 1.02 0.00 0.00 1.21 0.00 0.00 25 N 8.42 4.79 0.00 2.74 2.79 0.00 0.00 7.28 8.48 0.00 0.00 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 Q 7.99 3.35 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 A 7.78 4.57 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 28 S 7.67 4.45 0.00 3.54 3.64 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 29 H 7.52 4.76 0.00 3.15 3.20 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.15 4.15 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 0.81 0.00 0.00 0.92 0.00 0.00 31 S 8.36 4.64 0.00 4.03 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 32 A 7.83 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 3.71 0.00 1.74 1.89 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.54 7.81 34 T 8.14 4.04 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 1.21 0.00 0.00 35 R 7.52 3.90 0.00 2.24 2.13 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 36 E 7.50 4.11 0.00 2.14 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 2.36 2.50 0.00 37 K 8.10 4.21 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 38 V 7.72 3.65 2.25 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 1.19 0.00 0.00 1.03 0.00 0.00 39 E 8.03 4.05 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 40 A 7.88 4.17 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.04 3.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.27 4.00 0.00 2.16 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.84 0.00 43 A 7.43 4.10 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.84 3.93 0.00 1.47 1.61 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 2.40 1.89 0.00 45 L 7.39 4.01 0.00 1.51 1.65 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.02 4.14 0.00 2.83 2.89 0.00 0.00 6.94 7.54 0.00 0.00 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 Y 8.29 4.41 0.00 2.78 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.44 4.30 1.86 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 1.37 0.91 0.85 0.00 0.00 49 P 0.00 4.36 0.00 1.89 1.56 0.00 3.45 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 50 N 8.51 4.69 0.00 2.78 2.79 0.00 0.00 6.89 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 51 R 8.52 3.99 0.00 1.83 1.96 0.00 3.10 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 52 V 7.71 3.55 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 1.23 0.00 0.00 0.93 0.00 0.00 53 A 7.93 3.98 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 54 Q 8.25 3.93 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 55 Q 7.71 4.21 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 56 L 7.99 3.91 0.00 1.74 1.70 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.62 4.38 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 58 G 7.32 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 59 K 8.08 3.71 0.00 1.89 1.78 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.45 7.81 60 Q 8.33 4.24 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 61 S 8.32 4.31 0.00 3.83 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 62 L 8.44 4.19 0.00 1.62 1.52 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00