NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2272 8.1701 110.9387 60.9016 70.0944 173.4152 3 A 3.8237 8.5668 127.6250 51.9928 18.7401 175.8537 4 L 4.1368 8.7476 125.6237 54.3323 43.4308 175.4153 5 A 4.2473 8.2561 125.6093 50.9552 19.4003 177.0873 6 K 3.9340 8.4487 121.6792 55.9611 32.4023 175.3287 7 P 4.5516 0.0000 0.0000 61.7475 32.4655 175.4516 8 Q 4.1333 8.3882 120.5836 56.4118 29.3120 175.4701 9 M 4.7058 8.6206 122.4350 54.8086 33.9751 175.4448 10 R 4.5902 7.8033 117.4482 55.1856 32.8805 175.4196 11 G 4.0070 8.6372 106.8774 46.8831 0.0000 176.2456 12 L 4.0347 7.9788 121.8328 57.2355 41.5659 178.6587 13 L 3.9511 7.8700 119.6924 58.0485 42.1112 178.7247 14 A 3.9847 7.9169 120.3056 55.0870 18.4299 179.4086 15 R 3.8308 8.4681 117.6914 59.5333 30.2016 178.6158 16 R 3.9352 8.0688 118.5154 59.3515 30.0583 178.0802 17 L 3.9965 8.2793 120.3418 58.2774 42.0788 179.1182 18 R 3.9248 8.2038 117.9163 59.2728 30.0329 178.5583 19 F 4.0863 8.3060 120.2674 62.0352 39.3258 176.9700 20 H 4.2812 8.4579 115.2317 58.4550 28.4365 177.9586 21 I 3.8367 8.0068 122.1208 64.0945 36.8913 178.4632 22 V 3.6470 7.9740 119.3074 65.8643 31.2846 178.0123 23 G 3.6064 7.9745 105.3369 47.9942 0.0000 175.3697 24 A 3.9976 8.4204 123.8670 54.6463 18.4163 179.4478 25 F 4.0598 8.5278 119.3394 61.6418 39.5007 177.1030 26 M 3.9302 8.4647 118.5579 58.5421 31.8401 178.8551 27 V 3.5739 8.0145 118.4307 66.0344 31.6370 178.0029 28 S 4.1031 8.2890 115.1938 61.7192 62.6327 176.6932 29 L 3.9425 7.5801 121.4293 57.7037 41.3268 179.8402 30 G 3.6215 7.9260 105.4640 47.7153 0.0000 175.3266 31 F 4.0480 8.7885 123.4982 60.9275 39.4399 176.8249 32 A 3.9796 8.5903 120.6574 55.6386 17.9487 179.5650 33 T 3.8079 7.9415 113.0411 66.9051 68.7963 176.0767 34 F 4.2882 8.5968 122.7946 61.5887 39.3692 176.4888 35 Y 3.3517 7.8962 119.0492 59.8799 38.0478 176.9298 36 K 4.3695 8.3449 117.1982 56.6885 30.2307 177.7227 37 F 4.2509 7.4291 120.6383 59.7151 42.6909 176.5601 38 A 3.5161 8.1907 122.1200 53.7508 18.3737 177.2080 39 V 3.7933 7.1715 112.5343 64.2241 33.7264 177.6113 40 A 3.8822 7.4768 120.5028 55.2786 18.5492 179.3376 41 E 3.8778 7.5034 116.8155 59.2778 29.4018 179.5364 42 K 3.7567 7.2321 118.8405 59.2678 32.2139 178.7681 43 R 3.9229 8.0969 119.2081 59.5073 29.9873 178.5662 44 K 3.9988 7.9761 118.2221 59.5007 31.9610 179.2789 45 K 3.9871 8.2796 119.6148 59.1071 32.1101 178.7708 46 A 3.9410 8.3671 121.6262 55.3517 18.3204 179.2760 47 Y 3.7584 8.2542 114.9476 61.0521 37.7637 178.3838 48 A 4.1616 8.1142 120.4897 55.5704 18.9213 179.1937 49 D 4.4597 8.4799 117.5182 57.2763 40.6954 178.6408 50 F 3.8536 8.0122 120.1900 61.4084 39.7436 176.2349 51 Y 4.4038 8.1760 114.3321 58.7050 37.7557 177.5142 52 R 4.0059 7.6692 120.3047 58.9816 30.2158 177.1917 53 N 5.0178 7.8165 112.4776 52.8371 39.4226 173.6471 54 Y 3.9779 7.7060 119.6477 57.4011 39.3917 175.2155 55 D 4.5168 7.7173 126.0126 52.1091 42.8647 176.4349 56 S 3.7031 7.9277 123.5720 61.3774 63.2092 176.1428 57 M 4.1199 7.9475 121.9905 57.9954 31.7603 178.3940 58 K 3.9574 8.5418 120.0879 59.4238 32.3864 178.2987 59 D 4.3741 8.1575 118.4449 57.3409 41.1199 177.9895 60 F 4.3539 8.5254 121.1822 61.4348 39.4438 176.6973 61 E 3.6316 8.8389 119.2639 59.1419 29.5335 178.3209 62 E 3.9031 8.2524 118.6703 60.0034 29.5530 179.5028 63 M 3.9432 7.9548 118.3905 58.0625 32.0020 178.7167 64 R 3.8851 8.3167 119.2457 59.5428 30.0030 178.7717 65 K 3.9549 8.2773 116.8272 59.2235 32.1182 178.5751 66 A 4.2064 7.6238 118.6768 52.7170 18.3695 177.9762 67 G 3.8117 7.8253 105.6522 45.6666 0.0000 175.0456 68 I 3.7434 7.0063 114.6005 62.0966 38.0824 176.1777 69 F 4.8445 7.4600 119.7836 56.4370 39.8449 175.7448 70 Q 4.2337 8.9158 122.9085 58.3343 29.0157 176.8041 71 S 4.5595 8.1905 110.3458 58.3674 63.6713 174.8017 72 A 4.6700 7.4769 123.6165 51.5017 19.7367 176.3532 73 K 4.2409 8.3350 119.7587 56.6772 32.2003 177.3931 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 4.23 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 8.57 3.82 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 4 L 8.75 4.14 0.00 1.65 1.61 0.92 0.85 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 5 A 8.26 4.25 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 8.45 3.93 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.55 0.00 2.21 2.02 0.00 3.81 0.00 0.00 3.76 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 8.39 4.13 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 9 M 8.62 4.71 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 2.74 2.50 0.00 10 R 7.80 4.59 0.00 1.77 1.81 0.00 3.35 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 11 G 8.64 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 0.00 0.00 0.00 12 L 7.98 4.03 0.00 1.69 1.72 0.91 0.48 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 13 L 7.87 3.95 0.00 1.75 1.66 0.93 1.19 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 7.92 3.98 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 15 R 8.47 3.83 0.00 1.87 2.19 0.00 3.09 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 16 R 8.07 3.94 0.00 2.03 2.15 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 17 L 8.28 4.00 0.00 1.88 1.86 0.95 1.14 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 18 R 8.20 3.92 0.00 2.19 2.03 0.00 3.20 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 19 F 8.31 4.09 0.00 3.09 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 8.46 4.28 0.00 3.41 3.40 0.00 5.86 0.00 0.00 0.00 0.00 6.94 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 3.84 1.96 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 1.65 0.89 0.92 0.00 0.00 22 V 7.97 3.65 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 1.03 0.00 0.00 0.90 0.00 0.00 23 G 7.97 3.61 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 0.00 0.00 0.00 24 A 8.42 4.00 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 25 F 8.53 4.06 0.00 3.18 3.32 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 0.00 26 M 8.46 3.93 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 27 V 8.01 3.57 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 0.90 0.00 0.00 0.96 0.00 0.00 28 S 8.29 4.10 0.00 3.85 3.81 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 29 L 7.58 3.94 0.00 1.66 1.58 0.29 0.42 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 30 G 7.93 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.05 0.00 3.13 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 3.98 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 33 T 7.94 3.81 4.43 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 1.18 0.00 0.00 34 F 8.60 4.29 0.00 3.03 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 35 Y 7.90 3.35 0.00 2.48 2.80 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 36 K 8.34 4.37 0.00 1.93 1.83 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.65 7.81 37 F 7.43 4.25 0.00 2.94 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.52 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.17 3.79 0.76 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 0.72 0.00 0.00 0.30 0.00 0.00 40 A 7.48 3.88 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 41 E 7.50 3.88 0.00 1.79 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 2.51 2.47 0.00 42 K 7.23 3.76 0.00 1.65 1.70 0.00 1.62 0.00 0.00 1.42 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.23 7.81 43 R 8.10 3.92 0.00 1.94 2.01 0.00 3.11 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 44 K 7.98 4.00 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.67 7.81 45 K 8.28 3.99 0.00 1.82 1.84 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.45 7.81 46 A 8.37 3.94 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 47 Y 8.25 3.76 0.00 3.17 3.21 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 0.00 0.00 0.00 48 A 8.11 4.16 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 49 D 8.48 4.46 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.85 0.00 2.83 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 51 Y 8.18 4.40 0.00 3.27 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 52 R 7.67 4.01 0.00 1.99 1.99 0.00 3.22 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 53 N 7.82 5.02 0.00 2.67 2.73 0.00 0.00 6.84 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 7.71 3.98 0.00 2.80 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.52 0.00 2.56 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.70 0.00 4.18 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 0.00 57 M 7.95 4.12 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 58 K 8.54 3.96 0.00 1.98 1.86 0.00 1.59 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 59 D 8.16 4.37 0.00 2.92 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.35 0.00 3.16 3.32 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 0.00 61 E 8.84 3.63 0.00 2.29 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 2.33 2.37 0.00 62 E 8.25 3.90 0.00 2.22 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 2.32 2.56 0.00 63 M 7.95 3.94 0.00 1.64 2.32 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.50 0.00 64 R 8.32 3.89 0.00 1.06 1.77 0.00 3.33 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 1.59 1.89 0.00 65 K 8.28 3.95 0.00 1.71 1.82 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.60 7.81 66 A 7.62 4.21 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 67 G 7.83 3.81 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 0.00 0.00 0.00 68 I 7.01 3.74 1.52 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.73 0.00 0.00 69 F 7.46 4.84 0.00 3.37 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 70 Q 8.92 4.23 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 71 S 8.19 4.56 0.00 4.02 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 0.00 72 A 7.48 4.67 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 73 K 8.34 4.24 0.00 1.80 1.76 0.00 2.05 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.41 7.81