NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1651 8.3101 121.7885 54.7588 34.1091 175.1308 20 A 4.8709 6.9547 130.7924 52.2151 20.8810 174.2531 21 K 4.6962 8.0150 122.7943 54.3214 35.1465 175.8736 22 V 3.4902 7.8705 123.9855 65.5660 31.7885 177.2994 23 K 4.3599 7.8963 119.3336 59.5122 32.4182 177.7744 24 A 4.2263 8.1396 121.2929 55.6282 18.4670 180.1159 25 T 4.4641 7.5094 112.0945 62.8017 67.7149 174.4036 26 L 4.5928 8.2944 118.6610 53.7283 46.8017 178.0408 27 G 4.0343 8.6137 112.2747 45.7634 0.0000 175.1374 28 E 4.1825 8.6450 117.5596 54.9806 28.1539 175.5100 29 F 4.8366 7.5832 117.3113 54.7806 40.6203 175.8591 30 D 4.7524 8.5109 121.0570 52.3600 42.0817 176.9110 31 L 4.7830 8.3870 132.3703 55.3115 39.4298 177.1496 32 R 4.3992 7.5333 112.7574 57.2756 33.0094 174.0705 33 D 4.2680 7.8034 117.0937 53.2667 39.7382 175.2505 34 Y 4.3891 7.8163 122.0550 57.9785 38.0792 176.6972 35 R 4.7027 7.8481 119.5856 56.4472 31.3917 176.1374 36 N 5.0438 7.5549 110.9804 51.8718 39.8129 175.5577 37 V 2.9999 7.5084 106.4376 64.4219 32.2138 177.6018 38 E 3.8786 8.8921 125.6037 60.4146 29.9602 178.6805 39 V 3.5907 7.7126 117.9149 65.9838 31.6330 177.9297 40 L 4.2214 8.4441 118.8140 57.6017 41.7712 179.2381 41 K 3.3975 9.9189 119.5197 59.5740 31.7278 177.7563 42 R 4.1062 7.4386 115.6479 57.3290 30.2549 176.5435 43 F 4.3025 8.8795 117.2600 59.0118 39.7637 176.0843 44 L 5.3185 7.5504 118.7949 53.5640 42.9191 175.6536 45 S 5.0293 7.9167 113.9974 56.9249 65.3020 174.2707 46 E 4.0614 8.7847 118.0661 59.5616 29.6081 177.8092 47 T 4.3721 7.8151 114.2655 63.3935 69.2926 176.2740 48 G 4.0995 7.7825 108.6885 44.8513 0.0000 174.1586 49 K 4.2490 7.7291 118.9900 56.0908 32.8608 175.7640 50 I 4.4495 8.0065 121.6790 61.1371 37.8039 175.9150 51 L 4.3991 8.2364 126.8352 53.5725 42.8969 175.5327 52 P 4.4633 0.0000 0.0000 63.1957 31.9873 176.5943 53 R 4.2491 8.6151 116.8940 58.6752 30.6628 179.1163 54 R 4.3702 7.9137 113.3257 56.4900 29.9026 176.2404 55 R 4.8450 8.5446 118.6402 57.9164 37.7400 177.7641 56 T 4.0121 8.2479 108.5844 62.8169 69.0170 176.2847 57 G 4.0353 8.3091 107.7365 45.6017 0.0000 173.2836 58 L 4.4919 7.6611 119.2408 53.8015 42.5627 177.0056 59 S 4.3800 8.6712 116.3043 57.1476 63.4916 173.9033 60 A 3.7494 8.0268 121.6198 55.5529 17.9230 179.5763 61 K 3.4391 7.4635 111.0966 59.7588 32.2574 178.2354 62 E 4.0046 8.3254 117.0721 60.0730 29.4120 179.2420 63 Q 3.9670 8.2986 119.9486 58.8418 28.8523 178.7702 64 R 4.0111 8.4343 119.4120 59.2191 30.6173 178.6215 65 I 3.6306 7.8637 119.0102 65.1644 36.9492 177.0268 66 L 4.0208 8.2342 121.4740 56.6840 41.8529 178.2554 67 A 3.9235 7.9066 118.8082 55.3708 18.6471 179.4183 68 K 3.8099 8.2488 118.1180 60.0592 32.2645 178.9087 69 T 4.2145 7.5633 108.0594 63.9717 69.0555 177.0352 70 I 3.6527 7.7087 123.2961 64.3698 36.9427 178.1922 71 K 3.8358 7.8349 117.8817 59.5176 32.1375 179.1340 72 R 3.9698 7.5065 116.5899 59.4512 30.0148 178.7946 73 A 4.0488 7.8330 119.7726 55.4740 18.3854 179.8545 74 R 4.4208 7.6138 117.2707 58.9581 29.6788 179.3848 75 I 4.0370 7.5222 118.9924 64.1744 37.1934 177.7029 76 L 4.3969 7.6758 115.9234 54.3989 41.3648 177.1842 77 G 4.0214 7.5660 106.1333 46.5145 0.0000 175.0568 78 L 4.2873 8.3061 121.8059 55.3286 42.4912 177.2771 79 L 4.6732 7.4293 118.6374 51.6113 43.8900 174.3778 80 P 4.6544 0.0000 0.0000 63.0546 31.7584 176.2253 81 F 4.2592 8.4936 117.0482 58.7949 39.5765 175.1840 82 T 4.4258 7.2297 113.3111 61.9181 70.0009 171.3643 83 E 4.8686 8.4068 117.8815 55.4778 32.4308 175.9553 84 K 4.3711 8.7739 121.9097 55.4794 33.2787 176.9699 85 L 4.0144 8.5641 124.6602 55.0275 42.1881 176.8660 86 V 4.1108 8.1428 122.5196 62.3969 33.2832 174.4846 87 R 3.6886 8.2479 125.0406 56.7632 27.3297 175.9290 88 K 4.1499 7.9021 121.5099 56.0551 32.2200 175.8958 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 19 K 8.31 4.17 0.00 1.71 1.89 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 6.95 4.87 1.30 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 0.00 0.00 0.00 21 K 8.02 4.70 0.00 1.77 1.74 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.34 7.81 22 V 7.87 3.49 1.83 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 -0.33 0.00 0.00 0.73 0.00 0.00 23 K 7.90 4.36 0.00 2.10 1.92 0.00 2.04 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 24 A 8.14 4.23 1.33 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 0.00 0.00 25 T 7.51 4.46 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 26 L 8.29 4.59 0.00 1.95 1.90 0.54 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.61 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 0.00 0.00 0.00 28 E 8.64 4.18 0.00 1.97 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 2.25 2.28 0.00 29 F 7.58 4.84 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 30 D 8.51 4.75 0.00 2.75 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 31 L 8.39 4.78 0.00 1.77 1.91 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.53 4.40 0.00 2.03 2.05 0.00 3.27 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 33 D 7.80 4.27 0.00 2.55 2.54 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 34 Y 7.82 4.39 0.00 3.10 3.07 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 0.00 0.00 0.00 35 R 7.85 4.70 0.00 1.72 1.85 0.00 3.10 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 36 N 7.55 5.04 0.00 2.68 2.66 0.00 0.00 6.97 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 37 V 7.51 3.00 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 0.89 0.00 0.00 0.92 0.00 0.00 38 E 8.89 3.88 0.00 1.90 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 2.31 2.40 0.00 39 V 7.71 3.59 2.19 0.00 0.00 0.00 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 40 L 8.44 4.22 0.00 1.83 1.73 0.96 1.06 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 41 K 9.92 3.40 0.00 1.86 1.90 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 42 R 7.44 4.11 0.00 1.84 1.49 0.00 3.01 0.00 0.00 3.06 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 43 F 8.88 4.30 0.00 3.29 3.07 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 0.00 0.00 0.00 44 L 7.55 5.32 0.00 1.69 1.61 1.03 0.75 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 45 S 7.92 5.03 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.06 0.00 1.98 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 0.00 2.30 2.27 0.00 47 T 7.82 4.37 4.25 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 0.00 0.00 0.00 1.23 0.00 0.00 48 G 7.78 4.10 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 0.00 0.00 0.00 49 K 7.73 4.25 0.00 1.85 1.76 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.48 7.81 50 I 8.01 4.45 1.89 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 1.36 0.75 0.93 0.00 0.00 51 L 8.24 4.40 0.00 1.72 1.64 0.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.46 0.00 2.09 2.06 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 53 R 8.62 4.25 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 54 R 7.91 4.37 0.00 1.82 1.96 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 55 R 8.54 4.85 0.00 1.80 1.90 0.00 3.29 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 56 T 8.25 4.01 4.57 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 1.55 0.00 0.00 57 G 8.31 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 0.00 0.00 0.00 58 L 7.66 4.49 0.00 1.71 1.63 1.20 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.67 4.38 0.00 4.02 4.02 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 60 A 8.03 3.75 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 61 K 7.46 3.44 0.00 1.82 1.69 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 62 E 8.33 4.00 0.00 2.20 2.21 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 2.36 2.55 0.00 63 Q 8.30 3.97 0.00 2.30 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 64 R 8.43 4.01 0.00 1.95 1.94 0.00 3.21 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 1.63 1.66 0.00 65 I 7.86 3.63 1.85 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 1.51 1.02 0.91 0.00 0.00 66 L 8.23 4.02 0.00 1.57 1.62 0.39 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.91 3.92 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 68 K 8.25 3.81 0.00 2.03 1.83 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 69 T 7.56 4.21 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 1.31 0.00 0.00 70 I 7.71 3.65 1.94 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 1.46 1.10 0.87 0.00 0.00 71 K 7.83 3.84 0.00 1.88 1.90 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.57 7.81 72 R 7.51 3.97 0.00 2.09 1.78 0.00 3.10 0.00 0.00 2.81 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 73 A 7.83 4.05 1.38 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 0.00 0.00 0.00 74 R 7.61 4.42 0.00 1.11 0.66 0.00 2.94 0.00 0.00 2.82 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.49 0.00 75 I 7.52 4.04 2.08 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 1.73 0.78 0.95 0.00 0.00 76 L 7.68 4.40 0.00 1.81 1.73 0.93 0.86 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 77 G 7.57 4.02 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 0.00 0.00 0.00 78 L 8.31 4.29 0.00 1.62 1.73 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.43 4.67 0.00 1.51 1.43 0.93 1.00 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 80 P 0.00 4.65 0.00 2.38 2.07 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 81 F 8.49 4.26 0.00 3.05 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 82 T 7.23 4.43 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 1.28 0.00 0.00 83 E 8.41 4.87 0.00 1.98 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 2.19 2.31 0.00 84 K 8.77 4.37 0.00 1.67 1.78 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 85 L 8.56 4.01 0.00 1.62 1.62 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.14 4.11 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 0.78 0.00 0.00 0.98 0.00 0.00 87 R 8.25 3.69 0.00 1.97 1.93 0.00 3.27 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 88 K 7.90 4.15 0.00 1.75 1.66 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.36 7.81