NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.3245 8.1844 120.6312 54.2931 43.1257 176.3187 14 S 4.1087 8.8769 118.5498 57.5485 62.9623 173.3644 15 P 3.9620 0.0000 0.0000 65.1188 32.3268 176.2030 16 Q 4.2495 8.0961 115.6901 56.3333 28.5166 175.7570 17 Y 4.7559 7.5177 113.6522 56.8473 40.2692 175.5733 18 N 4.6182 7.9222 118.6633 52.1338 39.3932 175.6007 19 W 4.3073 8.3214 117.8536 59.3452 28.0749 178.3193 20 V 3.3925 6.7822 119.0972 65.8502 31.0271 177.4550 21 A 3.9241 8.4040 120.5264 55.4635 18.1634 178.9514 22 C 4.3905 8.5083 115.1528 59.9152 37.2360 176.6181 23 G 3.6387 8.3110 107.4697 47.9778 0.0000 175.6177 24 I 3.7302 7.8189 122.8658 63.8858 37.0264 178.1882 25 L 3.8788 7.9497 120.8987 58.2433 41.9860 178.5398 26 E 4.0322 8.5324 119.5992 59.1894 29.4314 178.8938 27 G 3.7738 8.6695 106.2166 47.8310 0.0000 175.6605 28 G 3.7028 8.4723 109.0510 47.6490 0.0000 175.7755 29 L 4.0497 8.3138 122.0502 57.1887 41.6705 179.7856 30 K 4.0390 8.3601 118.5452 59.1984 31.7753 179.2680 31 A 4.0263 8.1893 120.5338 54.9629 18.3930 179.1131 32 A 4.1834 8.2412 117.9723 52.5546 18.6140 177.9029 33 G 3.8695 7.6323 104.5257 46.8895 0.0000 175.1809 34 V 4.1024 7.6911 114.5415 61.4167 32.9863 176.5181 35 L 4.5822 7.7622 121.6903 53.9669 42.7074 175.1609 36 E 4.7746 8.6640 122.6943 53.8604 32.9150 174.8030 37 E 3.9220 8.6945 120.1591 57.4081 30.0828 176.2615 38 G 3.8517 8.4292 111.6161 46.4933 0.0000 173.1147 39 Q 4.4717 7.7111 119.2555 55.0136 30.5321 174.2100 40 Y 4.9369 8.7692 121.9913 56.3127 41.0469 176.4238 41 N 4.2659 8.6730 120.6506 57.3454 38.9694 177.2842 42 R 3.9058 7.9948 119.3761 59.3151 30.2073 177.9288 43 E 3.9909 8.3664 118.0320 59.7277 29.4961 179.1037 44 L 3.9931 8.0745 119.7048 57.9459 41.9977 178.8462 45 A 3.9949 8.0335 120.7382 55.3616 18.3196 179.4270 46 E 3.9088 8.3992 116.8976 59.3798 29.3388 179.5867 47 A 3.9837 8.1024 120.7052 55.3741 18.3258 179.6842 48 I 3.6636 7.9603 117.0590 64.6219 37.0683 178.3152 49 A 4.1681 8.4767 121.6258 54.9116 18.0818 179.5521 50 A 4.0854 8.4207 119.7409 55.1437 18.1721 179.9621 51 K 4.1638 7.9371 116.6153 58.4875 32.1589 178.1749 52 G 4.0853 7.3578 104.5772 45.0282 0.0000 173.3891 53 E 4.3074 7.8710 120.5821 55.2591 30.9771 177.7965 54 G 4.2176 8.2132 111.1427 46.1789 0.0000 174.4329 55 F 4.0845 8.6889 122.1622 61.2546 39.6969 177.8680 56 W 4.0887 8.4354 120.1805 59.7347 29.1450 178.5616 57 T 4.2558 8.0360 108.3119 64.4125 68.4831 176.5087 58 T 4.0621 7.4230 111.5946 64.5284 69.4058 176.7335 59 Q 3.9262 7.5170 118.7883 55.8747 29.0255 176.1486 60 F 4.6418 7.5014 118.9292 54.0515 41.9239 173.5867 61 P 4.2290 0.0000 0.0000 65.8631 31.0168 178.4953 62 Q 3.6359 7.7716 117.3523 58.6878 28.5306 178.5578 63 I 3.1702 7.1226 120.3851 63.8068 37.2364 178.5178 64 G 3.5820 7.7523 106.4661 47.6910 0.0000 175.1420 65 D 4.3340 8.1917 120.9772 56.9183 41.1977 178.2669 66 W 4.4637 8.2054 119.7548 59.8961 28.9996 177.6333 67 N 4.3305 8.5891 117.1418 57.2627 38.2897 176.7347 68 E 4.0134 8.1648 119.0508 59.4456 29.4105 179.1941 69 D 4.4217 8.4518 119.2050 57.2288 40.8257 178.8631 70 Q 3.9406 8.5007 118.6079 58.9985 28.8383 178.2074 71 A 4.0282 8.2473 121.7370 55.3838 18.3016 179.6092 72 A 3.9359 8.3869 119.0340 55.2769 18.5002 179.6373 73 A 3.9720 8.2581 119.5622 55.4291 18.4104 179.9321 74 L 3.9468 8.4721 117.6531 57.8976 41.6626 179.6193 75 A 4.1374 8.2134 120.7102 55.0533 18.2418 179.5549 76 D 4.3128 8.1690 117.6739 57.5756 40.9684 178.9554 77 R 4.0942 8.2398 118.4291 59.3385 30.0367 178.8354 78 A 4.0374 8.4586 120.8493 55.3586 18.3858 179.4781 79 Q 4.2246 8.1797 119.3964 59.2239 28.9000 178.6613 80 T 3.9890 7.8792 115.9302 66.5414 68.6053 175.4989 81 C 4.6897 8.3831 116.0922 56.9347 40.3054 174.0497 82 G 3.9600 7.8227 108.5877 46.5380 0.0000 175.2870 83 L 4.2290 8.3067 122.4755 56.6795 42.0712 177.7255 84 V 4.6555 7.2751 109.8683 59.4278 36.4324 175.0356 85 K 4.4275 8.8532 122.5922 55.7388 33.3913 176.6645 86 A 4.6514 8.5423 124.2896 52.0273 19.0274 177.5236 87 D 4.4870 8.7923 120.0709 54.8711 41.7386 176.9971 88 T 4.1684 8.0874 116.6070 63.8305 68.6952 174.8800 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 13 L 8.18 4.32 0.00 1.68 1.79 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.88 4.11 0.00 3.97 3.79 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 0.00 0.00 0.00 15 P 0.00 3.96 0.00 2.04 2.00 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 16 Q 8.10 4.25 0.00 1.85 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.41 1.80 0.00 17 Y 7.52 4.76 0.00 2.96 2.91 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 7.92 4.62 0.00 2.57 2.83 0.00 0.00 5.99 8.88 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 19 W 8.32 4.31 0.00 3.66 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 20 V 6.78 3.39 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 -0.38 0.00 0.00 21 A 8.40 3.92 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 22 C 8.51 4.39 0.00 3.29 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 23 G 8.31 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 0.00 0.00 0.00 24 I 7.82 3.73 2.00 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 1.39 0.69 0.89 0.00 0.00 25 L 7.95 3.88 0.00 1.74 1.86 0.91 0.77 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 26 E 8.53 4.03 0.00 2.09 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 0.00 2.33 2.35 0.00 27 G 8.67 3.77 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 0.00 0.00 0.00 28 G 8.47 3.70 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 0.00 0.00 0.00 29 L 8.31 4.05 0.00 1.69 1.74 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.36 4.04 0.00 2.01 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.57 7.81 31 A 8.19 4.03 1.36 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 0.00 0.00 32 A 8.24 4.18 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 33 G 7.63 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 34 V 7.69 4.10 2.10 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 0.76 0.00 0.00 1.00 0.00 0.00 35 L 7.76 4.58 0.00 1.59 1.57 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.66 4.77 0.00 2.08 1.86 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 2.20 2.22 0.00 37 E 8.69 3.92 0.00 1.92 1.88 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 2.28 2.35 0.00 38 G 8.43 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.71 4.47 0.00 2.30 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 40 Y 8.77 4.94 0.00 3.07 2.85 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 0.00 0.00 0.00 41 N 8.67 4.27 0.00 2.94 3.27 0.00 0.00 7.16 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.99 3.91 0.00 1.98 1.93 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 43 E 8.37 3.99 0.00 2.35 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 2.48 2.51 0.00 44 L 8.07 3.99 0.00 1.92 1.86 1.02 1.22 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 45 A 8.03 3.99 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 46 E 8.40 3.91 0.00 2.20 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 2.35 2.35 0.00 47 A 8.10 3.98 1.41 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 0.00 0.00 0.00 48 I 7.96 3.66 1.90 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 1.48 0.91 0.94 0.00 0.00 49 A 8.48 4.17 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 50 A 8.42 4.09 1.41 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 0.00 0.00 0.00 51 K 7.94 4.16 0.00 1.89 1.92 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.26 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.62 7.81 52 G 7.36 4.09 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 0.00 0.00 0.00 53 E 7.87 4.31 0.00 2.15 1.93 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 2.37 2.44 0.00 54 G 8.21 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 55 F 8.69 4.08 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.44 4.09 0.00 3.54 3.27 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 0.00 57 T 8.04 4.26 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 58 T 7.42 4.06 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 1.22 0.00 0.00 59 Q 7.52 3.93 0.00 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 60 F 7.50 4.64 0.00 3.06 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 61 P 0.00 4.23 0.00 2.19 2.24 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 62 Q 7.77 3.64 0.00 1.71 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 63 I 7.12 3.17 2.03 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 1.13 0.22 1.03 0.00 0.00 64 G 7.75 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 0.00 0.00 0.00 65 D 8.19 4.33 0.00 2.71 2.83 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 66 W 8.21 4.46 0.00 3.55 3.05 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 67 N 8.59 4.33 0.00 3.02 3.10 0.00 0.00 7.28 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.16 4.01 0.00 2.25 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 2.53 0.00 69 D 8.45 4.42 0.00 2.94 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 70 Q 8.50 3.94 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 71 A 8.25 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.39 3.94 1.42 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 0.00 0.00 73 A 8.26 3.97 1.41 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 0.00 0.00 0.00 74 L 8.47 3.95 0.00 1.82 1.74 0.93 0.88 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 75 A 8.21 4.14 1.42 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 0.00 0.00 76 D 8.17 4.31 0.00 3.02 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 77 R 8.24 4.09 0.00 2.03 2.02 0.00 3.09 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 78 A 8.46 4.04 1.42 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 0.00 0.00 79 Q 8.18 4.22 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 80 T 7.88 3.99 4.49 0.00 0.00 0.00 0.00 0.00 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 81 C 8.38 4.69 0.00 3.18 3.20 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 82 G 7.82 3.96 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 0.00 0.00 0.00 83 L 8.31 4.23 0.00 1.74 1.75 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.28 4.66 2.13 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 0.93 0.00 0.00 0.93 0.00 0.00 85 K 8.85 4.43 0.00 1.23 1.66 0.00 1.48 0.00 0.00 1.47 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.16 7.81 86 A 8.54 4.65 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 87 D 8.79 4.49 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.09 4.17 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 1.16 0.00 0.00