NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2377 8.1701 117.3741 63.2166 69.8767 173.4978 3 A 4.0943 8.3585 127.6330 51.5230 19.2449 175.2206 4 L 4.5880 8.4093 121.1308 52.8673 44.3730 175.4245 5 A 4.1056 8.2402 125.2696 51.5458 19.0761 177.3056 6 K 4.0639 8.4215 122.7093 55.3430 32.1554 175.3234 7 P 4.5577 0.0000 0.0000 61.4997 32.4937 175.5744 8 Q 4.0633 8.4248 120.1743 56.6305 29.1277 175.4218 9 M 4.7155 8.6418 122.5653 54.8169 33.6366 175.4583 10 R 4.6255 7.6185 117.9728 55.0814 33.4396 175.4795 11 G 4.0236 8.6383 106.6606 46.7944 0.0000 176.2310 12 L 3.9914 7.3540 118.8320 57.1877 41.5684 178.8072 13 L 3.9265 7.8631 119.7343 58.0968 42.1562 178.6786 14 A 4.0054 7.9486 120.3141 55.1031 18.4087 179.4163 15 R 3.8456 8.1604 117.3128 59.5586 30.2147 178.7906 16 R 3.9649 8.0287 118.5905 59.1532 30.0661 178.1709 17 L 3.9685 8.1462 120.2633 58.1506 42.2462 178.7204 18 R 3.8895 8.1472 118.6330 59.5683 30.1005 177.9864 19 F 4.0402 8.1829 120.0504 61.8837 39.3091 176.7415 20 H 4.3897 8.4273 115.1605 58.3487 28.5711 177.8722 21 I 3.7712 8.0116 122.1895 64.1648 36.9232 178.5437 22 V 3.7051 7.7942 119.1671 65.8779 31.3428 178.3861 23 G 3.4758 7.8350 105.1613 47.6431 0.0000 175.5475 24 A 4.0440 8.3811 123.4930 54.8386 18.3773 179.5191 25 F 4.1804 8.3157 119.2502 61.7504 39.5066 177.3087 26 M 3.8896 8.0973 118.2886 58.3696 31.6716 178.9613 27 V 3.6238 7.8103 118.4154 65.9887 31.6661 178.3087 28 S 4.1890 8.0863 115.0169 61.5699 62.6665 176.6523 29 L 4.0080 7.7799 121.8363 57.6706 41.2262 179.8797 30 G 3.5954 8.1511 105.7423 47.6457 0.0000 175.6462 31 F 4.2865 8.7406 123.3282 60.8881 39.4686 176.8195 32 A 3.8486 8.5537 120.8533 55.6620 17.9645 179.5133 33 T 3.7856 7.7269 112.4788 66.8108 68.8665 176.1860 34 F 4.3664 8.4034 122.3986 61.4978 39.4206 176.4855 35 Y 3.4188 8.3109 119.4310 60.1989 38.4373 178.6633 36 K 4.5565 8.3565 118.5673 55.7215 32.3869 177.1322 37 F 4.8696 8.3976 121.2483 59.6318 46.8826 175.6257 38 A 3.0842 7.6061 121.1347 53.1274 18.7675 177.3081 39 V 3.7943 6.7845 112.9217 63.6521 33.4354 177.0103 40 A 3.8747 7.2172 120.7365 55.3991 18.2343 179.2975 41 E 3.9076 7.8805 115.8430 59.0594 29.5741 179.4180 42 K 3.7339 7.2948 119.5102 59.3852 32.1988 178.8022 43 R 3.9158 7.8909 118.8270 59.4656 29.9916 178.6285 44 K 4.0458 7.9601 118.1633 59.3446 31.9481 179.3335 45 K 3.9429 8.3487 119.8070 59.2858 32.1163 178.5716 46 A 3.9629 8.1760 121.2507 55.5811 18.3044 179.3262 47 Y 3.6783 8.1564 114.8264 61.0278 37.8869 178.4471 48 A 4.1846 8.4275 121.8790 55.4030 18.2865 179.4959 49 D 4.3285 8.7103 117.1691 57.2725 40.9609 178.4402 50 F 4.0229 8.0737 120.1870 61.5677 39.5257 176.4981 51 Y 4.4162 8.2399 114.9109 59.4023 37.5735 177.4752 52 R 4.1030 7.6120 119.8381 58.9315 30.3774 178.2011 53 N 5.0448 7.8221 113.9150 52.7432 39.6204 174.1730 54 Y 4.0501 7.6788 119.5103 57.3453 39.5797 174.8323 55 D 4.4904 7.7636 125.9574 51.9865 42.8983 176.3543 56 S 3.7968 7.8542 123.5343 61.5117 63.0287 176.2137 57 M 4.1371 7.9505 121.8628 57.9806 31.8343 178.4037 58 K 3.9555 8.2143 119.8696 59.4013 32.3569 178.2966 59 D 4.3731 8.1939 118.4357 57.4391 41.1533 178.0811 60 F 4.3870 8.5556 121.2213 61.2689 39.3161 176.5406 61 E 3.6678 8.7286 119.4114 59.2878 29.3935 178.7099 62 E 3.8970 8.1778 118.4104 59.7834 29.4244 179.3209 63 M 3.9083 7.9741 118.6942 58.1167 31.8536 178.8474 64 R 3.9455 8.1113 119.2686 59.5118 30.0624 178.8212 65 K 3.9041 7.9655 116.8076 59.1918 32.0861 178.6648 66 A 4.1780 7.6764 119.4513 52.4258 18.3855 177.8142 67 G 3.7993 8.0017 105.7396 46.3473 0.0000 175.1958 68 I 3.7904 7.1192 115.0488 62.2237 38.0847 176.2834 69 F 4.9035 7.5537 119.2662 56.9746 39.8415 175.5186 70 Q 4.3180 8.9036 122.7322 57.8422 29.1439 177.2174 71 S 4.4425 8.1554 110.0151 58.4685 64.0301 173.6965 72 A 4.6052 7.9313 123.0475 50.4539 20.8535 175.7761 73 K 4.2518 8.7838 121.1492 57.0128 32.3599 176.8184 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 T 8.17 4.24 4.24 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 1.21 0.00 0.00 3 A 8.36 4.09 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.41 4.59 0.00 1.63 1.59 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.24 4.11 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 6 K 8.42 4.06 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.56 0.00 2.21 2.04 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 8 Q 8.42 4.06 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.64 4.72 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 10 R 7.62 4.63 0.00 1.82 1.78 0.00 3.28 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 11 G 8.64 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 12 L 7.35 3.99 0.00 1.75 1.72 0.91 0.52 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 13 L 7.86 3.93 0.00 1.76 1.66 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.95 4.01 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 15 R 8.16 3.85 0.00 1.96 2.17 0.00 3.22 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 16 R 8.03 3.96 0.00 1.97 2.12 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 17 L 8.15 3.97 0.00 1.83 1.88 0.95 0.73 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 R 8.15 3.89 0.00 1.95 2.22 0.00 3.18 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 1.69 1.67 0.00 19 F 8.18 4.04 0.00 3.20 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.43 4.39 0.00 3.39 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.01 3.77 1.95 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 1.63 0.84 0.90 0.00 0.00 22 V 7.79 3.71 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 0.95 0.00 0.00 0.91 0.00 0.00 23 G 7.83 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 24 A 8.38 4.04 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 25 F 8.32 4.18 0.00 3.11 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 26 M 8.10 3.89 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 3.06 0.00 27 V 7.81 3.62 2.22 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 1.11 0.00 0.00 1.00 0.00 0.00 28 S 8.09 4.19 0.00 4.02 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 29 L 7.78 4.01 0.00 1.67 1.54 0.38 0.38 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 30 G 8.15 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.74 4.29 0.00 3.11 3.34 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 32 A 8.55 3.85 1.39 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 0.00 0.00 0.00 33 T 7.73 3.79 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 1.17 0.00 0.00 34 F 8.40 4.37 0.00 3.17 3.29 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 0.00 35 Y 8.31 3.42 0.00 2.22 2.65 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 36 K 8.36 4.56 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.61 7.81 37 F 8.40 4.87 0.00 2.83 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 38 A 7.61 3.08 0.48 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 39 V 6.78 3.79 0.83 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 0.69 0.00 0.00 0.41 0.00 0.00 40 A 7.22 3.87 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 41 E 7.88 3.91 0.00 1.94 1.98 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 2.51 2.34 0.00 42 K 7.29 3.73 0.00 1.49 1.72 0.00 1.40 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.28 7.81 43 R 7.89 3.92 0.00 2.05 2.08 0.00 3.25 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 44 K 7.96 4.05 0.00 2.00 1.87 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 45 K 8.35 3.94 0.00 1.89 1.78 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.47 7.81 46 A 8.18 3.96 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.16 3.68 0.00 3.22 3.23 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 48 A 8.43 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.71 4.33 0.00 2.68 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 50 F 8.07 4.02 0.00 2.81 2.81 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 0.00 0.00 0.00 0.00 51 Y 8.24 4.42 0.00 3.42 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 52 R 7.61 4.10 0.00 2.00 2.13 0.00 3.22 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 53 N 7.82 5.04 0.00 2.69 2.75 0.00 0.00 6.85 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.68 4.05 0.00 2.81 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 55 D 7.76 4.49 0.00 2.56 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 56 S 7.85 3.80 0.00 4.16 4.15 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 57 M 7.95 4.14 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 58 K 8.21 3.96 0.00 1.93 1.89 0.00 1.60 0.00 0.00 1.51 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 59 D 8.19 4.37 0.00 2.95 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 60 F 8.56 4.39 0.00 3.19 3.33 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 61 E 8.73 3.67 0.00 2.33 1.92 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 2.33 2.39 0.00 62 E 8.18 3.90 0.00 2.25 1.96 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 2.31 2.49 0.00 63 M 7.97 3.91 0.00 1.63 2.27 0.00 0.00 0.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.49 0.00 64 R 8.11 3.95 0.00 1.21 1.74 0.00 3.29 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 65 K 7.97 3.90 0.00 1.87 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.51 7.81 66 A 7.68 4.18 1.29 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 0.00 0.00 0.00 67 G 8.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.12 3.79 1.60 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.36 0.72 0.00 0.00 69 F 7.55 4.90 0.00 3.38 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 70 Q 8.90 4.32 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 71 S 8.16 4.44 0.00 3.97 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 72 A 7.93 4.61 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 73 K 8.78 4.25 0.00 1.79 1.75 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.39 7.81