NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4103 8.4293 120.2294 55.8378 31.4423 176.3800 3 S 4.6214 7.4988 112.2268 54.7750 67.2135 172.8883 4 F 3.9141 9.2326 125.9364 62.1500 39.4600 178.5761 5 L 4.0553 8.0890 118.9221 57.9612 41.9837 179.0667 6 L 3.9927 7.5986 118.1326 57.8995 41.6827 179.5608 7 S 4.2621 7.6604 113.5382 61.4588 62.7392 176.7333 8 K 3.8736 7.6212 122.1008 59.0543 31.7595 179.4203 9 V 3.7384 8.3424 119.0861 66.2186 31.6660 178.3372 10 S 4.2076 8.5507 114.3303 61.2324 62.7937 176.1441 11 F 3.9690 8.3838 124.4888 61.1506 39.0901 177.3276 12 V 3.6634 8.1152 117.9633 65.8376 31.2668 178.0850 13 I 3.7933 7.8829 119.7389 64.4068 37.0972 178.3735 14 K 3.9959 7.8597 119.9828 59.0175 31.8372 178.8819 15 K 3.7141 7.7266 120.0754 59.4267 32.1300 178.7134 16 I 3.6446 7.7642 120.0980 64.4741 37.0780 178.1766 17 R 3.8593 8.0101 119.2836 59.6454 29.8479 178.5592 18 L 3.9636 7.8028 118.3069 57.7324 41.4170 178.9298 19 E 3.9810 8.0447 117.6638 59.5018 29.5673 178.9578 20 K 4.3629 8.0761 115.0682 55.7127 32.3462 177.4770 21 G 3.9241 8.0975 107.4851 46.4371 0.0000 173.9840 22 M 4.3899 7.8260 118.9335 54.7121 32.9710 176.4352 23 T 4.4408 9.2772 112.9920 60.3373 70.8801 175.6767 24 Q 3.9793 8.6628 120.8655 59.3751 28.5180 179.2606 25 E 3.9992 8.0755 119.9963 59.3056 29.7488 177.7333 26 D 4.3601 8.2284 117.6631 57.6223 40.9476 178.5587 27 L 3.8706 8.1537 119.7113 58.6876 42.2116 179.5235 28 A 4.0678 8.1778 120.3755 55.1604 18.1588 178.9324 29 Y 4.0568 8.2168 118.2524 60.7176 38.8546 177.5573 30 K 3.4034 8.3853 120.5776 58.6097 32.1959 176.9844 31 S 4.5207 7.2635 109.9701 57.0742 63.7094 173.3837 32 N 4.0841 8.7005 117.1215 55.0157 35.9982 173.4939 33 L 4.8843 7.7877 115.3406 51.7692 46.0168 177.0260 34 D 4.5351 8.5621 118.7757 54.6918 42.7289 177.3882 35 R 3.9998 8.6596 122.2553 59.7431 29.3508 179.2496 36 T 3.9130 8.0515 110.0250 64.5878 68.8440 175.8058 37 Y 4.1397 7.9599 121.9230 60.5432 38.8918 177.9294 38 I 3.5565 7.5724 120.5492 64.3420 37.1264 178.1517 39 S 4.1125 7.7943 113.9029 61.5668 62.2247 176.6272 40 G 3.4820 8.0715 108.2803 47.6333 0.0000 175.5797 41 I 3.5348 7.5565 122.3429 64.4186 36.9071 178.4095 42 E 4.0206 7.7091 117.8553 58.9261 29.2722 178.6536 43 R 4.2654 8.0076 116.6795 56.0044 30.4541 175.6313 44 N 4.2652 7.8453 114.6282 54.7239 38.0304 174.2453 45 S 4.7476 7.9064 109.0868 57.6247 62.9718 174.2252 46 R 4.5513 7.5519 118.4786 54.5481 33.4514 174.6917 47 N 4.7356 8.6831 121.5313 51.7399 38.3282 174.0492 48 L 4.5087 8.0359 124.6908 54.8638 42.0918 178.0001 49 T 4.1594 8.2136 116.5118 63.2603 70.5034 175.7782 50 I 3.7131 8.3518 124.7968 64.7718 37.3611 178.6496 51 K 3.9099 8.1742 118.5734 59.8746 31.7730 179.3453 52 S 4.1320 7.8919 114.6487 61.2725 62.7930 175.9929 53 L 3.7821 8.0609 123.2860 58.2920 41.7818 178.5035 54 E 3.7956 8.5920 119.2502 59.5569 29.6040 178.9358 55 L 3.9880 7.6786 118.2946 57.7542 41.5441 179.5811 56 I 3.7364 7.8690 120.0682 64.4239 37.0860 178.3852 57 M 3.8745 8.0677 120.0363 58.2295 31.6484 178.7644 58 K 4.0890 8.2139 119.6991 58.9820 32.0269 179.2552 59 G 3.5421 7.5110 105.3041 47.6325 0.0000 175.1575 60 L 4.2006 7.9618 118.3633 53.8364 42.5430 176.5181 61 E 3.8168 7.8212 117.8314 57.2279 27.2779 174.9055 62 V 4.5428 7.6162 115.7637 58.9040 35.0952 176.3275 63 S 4.3851 8.5146 117.2991 57.8725 65.2376 174.6942 64 D 4.2540 8.6799 124.9786 58.4375 40.6842 179.1184 65 V 3.7009 8.2091 117.2829 67.0133 30.7643 178.0423 66 V 3.9782 8.3571 119.9590 64.0248 31.2333 178.3316 67 F 3.9163 8.4066 121.6272 61.3423 39.2348 177.2552 68 F 4.4539 8.1900 117.0728 60.3705 38.1688 177.4924 69 E 4.0366 8.3448 118.3455 59.0044 29.0974 178.6954 70 M 4.1335 7.4020 117.7256 57.4341 32.4014 177.4068 71 L 3.7289 7.6199 120.0680 58.3151 41.8461 178.8701 72 I 3.7047 7.9977 120.1227 64.8055 37.7442 178.1823 73 K 4.0991 7.7034 117.6785 59.3618 31.5932 179.1521 74 E 3.8546 8.0999 119.0156 59.2772 29.6881 178.6137 75 I 3.9074 8.0066 119.1003 63.7018 37.1877 177.2486 76 L 4.5740 7.3175 117.4008 54.5781 41.8498 177.9430 77 K 3.8201 8.2516 120.3410 59.6384 33.0829 176.3241 78 H 4.4680 7.6732 118.7678 55.3881 30.1925 173.9151 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 2 E 8.43 4.41 0.00 1.98 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 0.00 2.23 2.38 0.00 3 S 7.50 4.62 0.00 4.12 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 4 F 9.23 3.91 0.00 3.20 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 5 L 8.09 4.06 0.00 1.90 1.75 1.02 0.73 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 6 L 7.60 3.99 0.00 1.99 1.71 1.01 0.86 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 7 S 7.66 4.26 0.00 4.00 4.06 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 8 K 7.62 3.87 0.00 1.81 1.81 0.00 1.58 0.00 0.00 1.28 0.00 0.00 2.43 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.95 1.16 7.81 9 V 8.34 3.74 2.28 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 1.23 0.00 0.00 1.16 0.00 0.00 10 S 8.55 4.21 0.00 4.20 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 11 F 8.38 3.97 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.12 3.66 2.12 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 0.58 0.00 0.00 0.95 0.00 0.00 13 I 7.88 3.79 1.89 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 1.57 0.91 0.90 0.00 0.00 14 K 7.86 4.00 0.00 1.73 1.66 0.00 1.50 0.00 0.00 1.38 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.43 7.81 15 K 7.73 3.71 0.00 1.78 1.87 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.45 7.81 16 I 7.76 3.64 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 0.93 0.00 0.00 17 R 8.01 3.86 0.00 1.89 2.08 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 18 L 7.80 3.96 0.00 1.71 1.65 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.04 3.98 0.00 2.18 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 2.34 2.48 0.00 20 K 8.08 4.36 0.00 1.71 1.84 0.00 2.01 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 21 G 8.10 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 22 M 7.83 4.39 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 23 T 9.28 4.44 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 1.20 0.00 0.00 24 Q 8.66 3.98 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 25 E 8.08 4.00 0.00 2.01 1.94 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 2.32 2.38 0.00 26 D 8.23 4.36 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.87 0.00 1.78 1.87 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.18 4.07 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.22 4.06 0.00 3.00 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 30 K 8.39 3.40 0.00 1.97 1.85 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 31 S 7.26 4.52 0.00 4.10 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 32 N 8.70 4.08 0.00 2.75 2.87 0.00 0.00 6.66 6.15 0.00 0.00 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 L 7.79 4.88 0.00 1.66 1.65 1.10 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.56 4.54 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.66 4.00 0.00 2.10 2.21 0.00 3.03 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 36 T 8.05 3.91 4.29 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 1.24 0.00 0.00 37 Y 7.96 4.14 0.00 3.12 3.04 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 38 I 7.57 3.56 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 1.61 0.79 0.88 0.00 0.00 39 S 7.79 4.11 0.00 3.99 4.03 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 0.00 0.00 0.00 40 G 8.07 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.56 3.53 1.81 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.01 0.83 0.00 0.00 42 E 7.71 4.02 0.00 2.15 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 2.27 2.28 0.00 43 R 8.01 4.27 0.00 1.74 1.93 0.00 3.28 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 44 N 7.85 4.27 0.00 2.73 2.80 0.00 0.00 7.00 7.57 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 45 S 7.91 4.75 0.00 4.00 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 46 R 7.55 4.55 0.00 1.51 1.70 0.00 3.48 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 47 N 8.68 4.74 0.00 2.68 2.79 0.00 0.00 7.12 7.78 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 48 L 8.04 4.51 0.00 1.92 1.80 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.21 4.16 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 1.25 0.00 0.00 50 I 8.35 3.71 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.88 0.98 0.00 0.00 51 K 8.17 3.91 0.00 1.79 1.87 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 52 S 7.89 4.13 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 3.78 0.00 1.86 1.71 0.89 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.59 3.80 0.00 2.21 1.91 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 2.28 2.35 0.00 55 L 7.68 3.99 0.00 1.94 1.84 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.87 3.74 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.84 0.00 0.00 57 M 8.07 3.87 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.19 0.00 58 K 8.21 4.09 0.00 1.79 1.88 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 59 G 7.51 3.54 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 0.00 60 L 7.96 4.20 0.00 1.62 1.73 0.96 1.22 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 61 E 7.82 3.82 0.00 2.06 2.00 0.00 0.00 0.00 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 2.22 0.00 62 V 7.62 4.54 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 0.81 0.00 0.00 0.96 0.00 0.00 63 S 8.51 4.39 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 64 D 8.68 4.25 0.00 2.85 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 65 V 8.21 3.70 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.02 0.00 0.00 66 V 8.36 3.98 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 1.04 0.00 0.00 0.95 0.00 0.00 67 F 8.41 3.92 0.00 3.00 2.87 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 68 F 8.19 4.45 0.00 3.35 3.08 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 0.00 0.00 0.00 69 E 8.34 4.04 0.00 2.18 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 2.40 2.61 0.00 70 M 7.40 4.13 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 71 L 7.62 3.73 0.00 1.75 1.75 1.22 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.00 3.70 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.82 0.93 0.00 0.00 73 K 7.70 4.10 0.00 1.94 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.52 7.81 74 E 8.10 3.85 0.00 2.00 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 0.00 2.27 2.18 0.00 75 I 8.01 3.91 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.83 1.16 0.00 0.00 76 L 7.32 4.57 0.00 1.92 1.69 0.95 0.78 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 77 K 8.25 3.82 0.00 1.81 2.00 0.00 1.45 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.23 1.37 7.81 78 H 7.67 4.47 0.00 3.36 3.71 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00