NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 D 4.6327 8.3644 119.5562 50.7503 41.0308 173.4605 25 N 4.5048 7.4216 127.4798 52.1733 41.8503 173.7342 26 I 3.7913 8.6092 126.5260 64.0906 39.3179 177.2076 27 Q 4.1439 8.0896 117.9035 58.0058 28.6077 177.1523 28 G 3.6529 7.7604 105.3479 46.5039 0.0000 173.9232 29 I 4.0815 7.4292 122.0050 60.3350 36.6441 176.4042 30 T 4.2677 8.0587 116.6450 60.5739 71.2485 175.5029 31 K 3.6140 8.2890 121.4552 59.0908 31.9748 177.8106 32 P 4.2590 0.0000 0.0000 65.6254 31.2688 178.0281 33 A 3.9921 7.7969 120.3812 55.1567 18.1982 179.7249 34 I 3.6887 7.8537 117.9026 64.6800 37.1931 178.6703 35 R 3.9619 8.2676 118.8979 59.7412 29.8682 179.3951 36 R 3.9885 8.2782 117.5624 58.9872 30.1108 179.1481 37 L 3.9440 8.1827 118.8420 57.6511 41.5956 179.3295 38 A 3.9567 8.1984 120.8713 55.0508 18.2453 179.5461 39 R 4.0293 8.2454 118.9219 59.1643 29.9691 178.6383 40 R 4.0204 8.0952 117.3163 59.1034 29.9811 177.5847 41 G 4.0213 7.6500 103.1656 44.3565 0.0000 174.1219 42 G 3.7854 8.2146 108.0750 45.3785 0.0000 173.7933 43 V 4.2188 7.8545 120.1138 60.8110 32.2862 176.4267 44 K 4.1231 8.6255 127.3523 57.5787 32.7142 177.5714 45 R 4.6523 7.8342 117.0301 54.0258 32.8152 174.6971 46 I 4.5896 7.9444 114.9712 58.5115 40.8733 175.1570 47 S 4.2261 8.2924 116.2969 57.8292 62.6458 175.3354 48 G 3.7535 8.6759 112.2907 47.8164 0.0000 175.5090 49 L 4.2002 7.8197 120.0552 56.8406 41.5955 179.1695 50 I 3.7149 7.5838 120.4601 63.9798 36.8568 177.7700 51 Y 4.2363 7.1385 117.2474 61.4174 37.8221 178.6532 52 E 4.1021 8.2699 118.7310 59.0611 29.5905 178.9502 53 E 3.9419 7.9362 119.5367 59.5668 29.7067 179.0388 54 T 3.8776 8.3421 116.2000 66.5831 68.5013 176.7066 55 R 4.0531 8.0903 120.2264 59.3459 30.1856 179.3048 56 G 3.5882 8.1335 105.1112 47.8238 0.0000 175.7873 57 V 3.6163 7.8688 121.3659 65.5241 31.4586 177.7340 58 L 3.9918 8.3598 120.4003 58.1035 41.8835 178.8185 59 K 3.9474 8.2575 119.5609 59.4715 32.1090 178.9525 60 V 3.8182 7.7649 119.7102 65.4137 31.4932 177.5667 61 F 4.0135 8.3228 120.3803 61.5376 39.2230 177.1717 62 L 4.0112 8.4360 118.6077 57.7265 41.5307 179.1217 63 E 3.9821 8.6009 119.0334 59.6018 29.4026 179.3875 64 N 4.3655 8.0358 116.2174 56.2853 38.6172 177.7914 65 V 3.4094 7.4656 119.5995 65.8927 31.4705 178.1690 66 I 3.6694 8.1606 119.9408 64.2277 36.9381 177.9925 67 R 3.8932 7.7961 119.5536 60.0081 29.8788 178.2383 68 D 4.4016 8.1630 118.0315 57.0782 40.7745 178.6977 69 A 4.1660 8.3713 121.7462 55.3443 18.3932 179.9319 70 V 3.5841 8.1677 117.1625 66.3883 31.5102 178.1700 71 T 3.8629 8.1541 115.6582 66.9452 68.2836 175.8814 72 Y 3.8743 8.0964 121.1921 60.7735 38.9417 177.6248 73 T 3.8144 8.1591 116.8209 66.6671 68.4671 176.1398 74 E 3.9655 8.4302 121.2757 59.5602 29.4994 178.1804 75 H 3.9731 8.1317 117.0087 58.9699 29.8390 175.9981 76 A 4.1271 7.3960 119.7001 50.7474 18.6075 176.9265 77 K 3.7218 7.8707 116.6232 58.1109 30.3753 175.2511 78 R 4.6492 7.7870 115.1150 54.4882 32.7658 176.1441 79 K 4.4072 8.4640 118.2000 56.2980 33.7783 175.7313 80 T 4.5081 7.6272 114.8755 61.6867 70.3038 173.8567 81 V 3.9490 8.7166 126.7183 62.3774 32.3332 175.9313 82 T 4.5728 8.5592 117.7107 59.8570 72.2482 175.4211 83 A 4.0996 8.5117 124.8725 56.2813 18.3542 180.4140 84 M 4.1265 8.0635 118.2527 59.6625 31.5173 180.6819 85 D 4.5788 7.9762 118.2501 57.6316 40.9899 178.9196 86 V 3.5917 7.6890 118.3330 65.9501 31.6690 178.1278 87 V 3.5486 8.1453 118.3812 66.1975 31.1357 177.1434 88 Y 3.8154 7.8069 117.7148 60.7168 38.6379 177.8500 89 A 4.1127 7.9176 121.3291 55.1822 18.2780 179.6260 90 L 3.9002 7.8623 116.5835 57.7990 41.7623 179.6651 91 K 4.0273 7.5758 116.7995 58.6555 31.9414 177.2765 92 R 3.9934 7.3067 122.7587 56.2953 30.0352 176.1484 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 24 D 8.36 4.63 0.00 2.71 2.57 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 0.00 25 N 7.42 4.50 0.00 2.92 2.72 0.00 0.00 6.70 6.52 0.00 0.00 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 I 8.61 3.79 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.08 0.92 0.00 0.00 27 Q 8.09 4.14 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 28 G 7.76 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.43 4.08 1.95 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 1.55 0.90 0.93 0.00 0.00 30 T 8.06 4.27 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 1.23 0.00 0.00 31 K 8.29 3.61 0.00 1.49 1.23 0.00 0.78 0.00 0.00 1.28 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 1.06 7.81 32 P 0.00 4.26 0.00 2.26 2.30 0.00 3.56 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 2.05 2.00 0.00 33 A 7.80 3.99 1.40 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 0.00 0.00 34 I 7.85 3.69 2.28 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.74 1.01 0.00 0.00 35 R 8.27 3.96 0.00 2.09 2.05 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.16 0.00 36 R 8.28 3.99 0.00 2.00 1.98 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 37 L 8.18 3.94 0.00 1.85 1.69 0.91 0.85 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 38 A 8.20 3.96 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 39 R 8.25 4.03 0.00 2.02 2.10 0.00 3.16 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 40 R 8.10 4.02 0.00 1.91 2.11 0.00 3.29 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 41 G 7.65 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 42 G 8.21 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 0.00 0.00 0.00 43 V 7.85 4.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 44 K 8.63 4.12 0.00 1.77 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.39 7.81 45 R 7.83 4.65 0.00 1.73 1.78 0.00 3.14 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 46 I 7.94 4.59 1.69 0.00 0.00 0.45 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 0.43 0.83 0.00 0.00 47 S 8.29 4.23 0.00 3.83 3.69 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 48 G 8.68 3.75 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 0.00 0.00 0.00 49 L 7.82 4.20 0.00 1.71 1.71 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.58 3.71 1.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.75 0.76 0.00 0.00 51 Y 7.14 4.24 0.00 3.06 2.95 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 52 E 8.27 4.10 0.00 2.02 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 2.47 2.35 0.00 53 E 7.94 3.94 0.00 2.03 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 2.28 2.38 0.00 54 T 8.34 3.88 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 1.21 0.00 0.00 55 R 8.09 4.05 0.00 2.05 2.02 0.00 3.35 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 56 G 8.13 3.59 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 0.00 0.00 0.00 57 V 7.87 3.62 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 1.00 0.00 0.00 0.97 0.00 0.00 58 L 8.36 3.99 0.00 1.81 1.87 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.26 3.95 0.00 1.99 1.99 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 60 V 7.76 3.82 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 1.10 0.00 0.00 1.01 0.00 0.00 61 F 8.32 4.01 0.00 3.14 3.19 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 0.00 62 L 8.44 4.01 0.00 1.79 1.75 1.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.60 3.98 0.00 2.13 2.01 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 2.34 2.55 0.00 64 N 8.04 4.37 0.00 2.69 2.74 0.00 0.00 6.68 7.83 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 65 V 7.47 3.41 1.71 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 1.02 0.00 0.00 0.06 0.00 0.00 66 I 8.16 3.67 1.99 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 1.42 0.59 0.92 0.00 0.00 67 R 7.80 3.89 0.00 2.00 2.12 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 68 D 8.16 4.40 0.00 2.74 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 69 A 8.37 4.17 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 70 V 8.17 3.58 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 1.12 0.00 0.00 1.01 0.00 0.00 71 T 8.15 3.86 4.47 0.00 0.00 0.00 0.00 0.00 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 72 Y 8.10 3.87 0.00 3.11 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 73 T 8.16 3.81 4.39 0.00 0.00 0.00 0.00 0.00 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 74 E 8.43 3.97 0.00 2.05 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 0.00 2.29 2.33 0.00 75 H 8.13 3.97 0.00 3.15 3.15 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.40 4.13 1.05 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 0.00 0.00 77 K 7.87 3.72 0.00 1.80 1.83 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.46 7.81 78 R 7.79 4.65 0.00 1.85 1.80 0.00 3.10 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 79 K 8.46 4.41 0.00 1.65 1.77 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.47 7.81 80 T 7.63 4.51 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 1.22 0.00 0.00 81 V 8.72 3.95 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 0.86 0.00 0.00 0.95 0.00 0.00 82 T 8.56 4.57 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 83 A 8.51 4.10 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 84 M 8.06 4.13 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.20 0.00 85 D 7.98 4.58 0.00 2.99 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 86 V 7.69 3.59 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 1.10 0.00 0.00 1.02 0.00 0.00 87 V 8.15 3.55 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 0.93 0.00 0.00 0.97 0.00 0.00 88 Y 7.81 3.82 0.00 2.64 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 89 A 7.92 4.11 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 90 L 7.86 3.90 0.00 1.76 1.76 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.58 4.03 0.00 1.58 1.70 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.65 1.49 7.81 92 R 7.31 3.99 0.00 1.72 1.73 0.00 3.03 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00