NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4399 0.0000 0.0000 62.9351 32.8509 177.4173 6 T 3.7261 8.1783 117.0133 66.5745 68.8890 173.4199 7 D 4.2956 8.7147 119.7261 55.7481 38.5803 172.0817 8 C 4.5226 8.0494 116.8633 59.2576 28.5805 174.0023 9 S 4.5076 7.7526 115.8553 58.1064 63.2873 175.1684 10 I 3.7769 8.0764 120.5035 63.7054 36.6501 178.8461 11 V 3.5242 7.6681 119.2531 66.2195 31.5423 177.9508 12 S 4.1435 7.5670 115.2495 61.4386 62.6277 176.5203 13 F 4.0488 7.8673 121.8929 61.3738 39.1606 177.1394 14 L 3.8544 8.0042 118.3237 57.7216 41.3007 179.4498 15 A 3.9929 7.8422 120.1813 55.2550 18.1115 179.8931 16 R 3.8000 7.7518 115.4920 58.6709 30.0504 177.9195 17 L 4.3584 7.0589 117.8168 53.9655 42.0514 176.2919 18 G 3.9663 8.0407 104.0747 46.4056 0.0000 173.5699 19 C 5.0351 8.4212 116.7252 57.9010 30.9550 175.1994 20 S 4.6572 8.6426 116.2766 59.1421 63.3939 174.8845 21 S 4.5374 8.2668 117.7498 60.0082 63.6543 174.6560 22 C 4.7782 7.8396 116.3472 59.6197 28.9401 174.9834 23 L 4.1285 8.0429 122.9052 58.3641 41.5999 177.9275 24 D 4.3411 8.2532 117.4111 57.7479 40.4293 177.9355 25 Y 3.9320 7.8262 117.0572 61.0609 37.8736 178.5722 26 F 4.0750 8.4036 118.2848 60.7274 39.1164 177.5975 27 T 3.9479 8.0657 112.4665 65.4803 66.9842 176.5064 28 T 3.9817 8.0211 116.4344 65.7428 68.5070 175.6273 29 Q 4.4272 7.6241 117.2612 55.4896 29.4790 176.5110 30 G 3.9011 7.9233 108.3827 44.8764 0.0000 173.4575 31 L 4.4799 7.6015 120.5728 54.0885 41.5509 176.5285 32 T 4.7825 8.2628 115.6123 60.7098 69.6469 173.6638 33 T 4.6015 7.5665 109.3248 60.3141 71.5273 174.2507 34 I 3.4001 7.8405 124.4276 64.7291 36.7834 178.3293 35 Y 4.3028 7.7935 116.0333 61.1894 37.6517 178.4933 36 Q 4.2629 8.0069 118.7386 57.6812 28.6025 176.9756 37 I 4.3394 7.6361 111.7930 60.4009 38.0174 177.1614 38 E 3.8555 8.4301 122.5651 59.7369 29.3021 177.5667 39 H 4.7798 8.2125 113.1010 56.2337 29.9661 175.0570 40 Y 4.0011 7.8620 117.0558 58.3634 38.3347 176.5670 41 S 4.7210 8.3553 119.1870 57.0039 66.3495 175.4923 42 M 3.8996 7.6634 121.5161 58.8922 31.6795 178.4932 43 D 4.4438 7.8197 118.4724 57.4201 41.1569 178.3781 44 D 4.3422 7.9712 119.0012 57.2504 40.8043 178.4090 45 L 4.1420 8.1581 120.5727 57.5949 42.0192 178.6664 46 A 3.9415 7.7283 121.6368 55.3426 18.0951 179.5758 47 S 4.3324 7.4273 110.2902 61.4339 62.7991 175.7608 48 L 4.0679 7.6315 121.2716 55.1603 41.7619 177.2782 49 K 3.9896 8.1899 116.2553 57.0178 30.3891 176.4725 50 I 3.4555 6.9956 119.7522 60.0344 38.0136 174.6048 51 P 4.5606 0.0000 0.0000 62.2340 33.4357 177.1295 52 E 3.9839 8.6584 118.8679 59.3608 29.8671 178.6926 53 Q 4.0034 8.2744 119.3465 58.5158 29.2282 177.2875 54 F 4.0640 8.1301 116.6761 57.9678 39.8341 178.1265 55 R 4.0578 7.8217 118.8427 59.4436 30.0602 178.3802 56 H 4.5668 7.8682 114.2233 58.0288 28.5608 177.5877 57 A 4.0655 6.9269 122.1408 55.1877 18.0166 179.3784 58 I 4.0905 7.8728 118.1950 64.2854 37.1269 178.4046 59 W 4.2002 8.3268 128.9344 60.3710 30.6417 177.8398 60 K 4.0195 8.3995 119.4026 59.5643 31.5539 179.0656 61 G 3.8723 8.1008 105.2248 47.7361 0.0000 175.8229 62 I 3.4899 7.6427 122.1101 63.9518 37.0816 178.3953 63 L 3.6890 7.1026 118.5184 57.9070 41.3255 179.2771 64 D 4.3292 7.9696 118.1962 57.5573 40.5408 178.1706 65 H 4.0940 7.7861 117.4913 59.3105 29.6842 176.9444 66 R 3.9112 7.7814 120.1432 59.4835 29.9425 178.4345 67 Q 3.9911 7.8895 117.6533 58.8574 28.4710 178.8562 68 L 4.0556 7.5236 119.8048 58.8579 40.5703 178.4230 69 H 4.2255 7.7294 117.9573 57.4432 30.2129 174.7534 70 E 4.5893 7.1052 119.2906 54.1016 31.3827 175.1947 71 F 4.2288 8.7496 126.0183 58.4591 39.4917 175.0587 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 5 P 0.00 4.44 0.00 2.20 2.21 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 6 T 8.18 3.73 4.28 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 1.27 0.00 0.00 7 D 8.71 4.30 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 8 C 8.05 4.52 0.00 3.15 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 9 S 7.75 4.51 0.00 4.09 4.04 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 10 I 8.08 3.78 1.70 0.00 0.00 0.67 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 0.47 0.20 0.00 0.00 11 V 7.67 3.52 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 1.07 0.00 0.00 0.94 0.00 0.00 12 S 7.57 4.14 0.00 4.12 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 13 F 7.87 4.05 0.00 3.05 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 14 L 8.00 3.85 0.00 1.91 1.93 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.84 3.99 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 16 R 7.75 3.80 0.00 1.75 1.86 0.00 3.29 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 17 L 7.06 4.36 0.00 1.10 1.51 0.77 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.04 3.97 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 0.00 0.00 0.00 19 C 8.42 5.04 0.00 3.02 3.02 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 0.00 0.00 0.00 20 S 8.64 4.66 0.00 3.94 3.88 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 21 S 8.27 4.54 0.00 3.80 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.84 4.78 0.00 3.09 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 23 L 8.04 4.13 0.00 1.81 1.72 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.25 4.34 0.00 2.63 2.33 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 25 Y 7.83 3.93 0.00 3.06 2.73 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 26 F 8.40 4.08 0.00 3.27 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 3.95 4.30 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 1.30 0.00 0.00 28 T 8.02 3.98 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 1.16 0.00 0.00 29 Q 7.62 4.43 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 5.45 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 30 G 7.92 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 0.00 0.00 0.00 31 L 7.60 4.48 0.00 1.92 1.82 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.26 4.78 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 1.30 0.00 0.00 33 T 7.57 4.60 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 34 I 7.84 3.40 1.32 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.46 0.32 0.00 0.00 35 Y 7.79 4.30 0.00 2.99 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 36 Q 8.01 4.26 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.21 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 37 I 7.64 4.34 1.93 0.00 0.00 0.81 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 0.86 0.72 0.00 0.00 38 E 8.43 3.86 0.00 2.00 1.95 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 2.03 2.24 0.00 39 H 8.21 4.78 0.00 3.32 3.42 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.86 4.00 0.00 3.11 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 41 S 8.36 4.72 0.00 3.92 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 42 M 7.66 3.90 0.00 1.79 1.80 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.28 0.00 43 D 7.82 4.44 0.00 2.60 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.34 0.00 2.95 2.61 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 45 L 8.16 4.14 0.00 2.00 1.86 1.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.73 3.94 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 47 S 7.43 4.33 0.00 4.18 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 48 L 7.63 4.07 0.00 1.57 1.45 0.80 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.19 3.99 0.00 1.99 2.08 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.43 7.81 50 I 7.00 3.46 1.75 0.00 0.00 0.62 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 0.17 0.93 0.00 0.00 51 P 0.00 4.56 0.00 2.36 2.17 0.00 3.47 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.00 0.00 52 E 8.66 3.98 0.00 2.07 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 2.45 2.39 0.00 53 Q 8.27 4.00 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 54 F 8.13 4.06 0.00 3.16 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.06 0.00 2.06 1.98 0.00 3.21 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 56 H 7.87 4.57 0.00 3.46 3.61 0.00 5.46 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 6.93 4.07 1.23 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 0.00 0.00 0.00 58 I 7.87 4.09 2.18 0.00 0.00 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 1.64 1.32 1.21 0.00 0.00 59 W 8.33 4.20 0.00 3.65 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.40 4.02 0.00 2.16 2.01 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 61 G 8.10 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.64 3.49 1.66 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.14 0.61 0.00 0.00 63 L 7.10 3.69 0.00 1.69 1.49 0.46 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.97 4.33 0.00 2.85 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 65 H 7.79 4.09 0.00 3.07 3.42 0.00 5.96 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.78 3.91 0.00 1.82 1.94 0.00 3.03 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 67 Q 7.89 3.99 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 68 L 7.52 4.06 0.00 1.73 1.78 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.73 4.23 0.00 3.06 3.55 0.00 5.92 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.11 4.59 0.00 2.06 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 71 F 8.75 4.23 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00