NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3444 8.2544 119.7064 56.3794 30.3253 174.1043 9 N 4.7232 8.4411 121.2670 52.9636 41.1595 172.7238 10 E 4.1501 8.9883 117.3069 57.6531 31.0693 176.2884 11 L 4.4448 7.8610 116.3890 54.6393 41.6425 176.3208 12 E 4.4608 7.9503 120.0068 56.7252 31.3277 176.5314 13 E 4.4666 7.6233 116.5960 56.3137 29.1042 176.2034 14 M 4.6099 7.8779 118.3762 55.1803 34.1873 176.4521 15 Q 4.3536 7.8931 115.5876 56.5673 29.4413 177.2283 16 R 4.0730 7.4208 120.5350 58.8353 30.4804 178.6840 17 R 4.3814 8.1559 118.1961 57.8751 29.9696 178.6546 18 A 4.0349 7.5277 121.5664 54.6533 18.2379 178.1574 19 D 4.5801 7.6554 113.0130 54.9246 41.2758 177.1836 20 Q 4.2240 7.7156 119.5040 58.8254 29.2620 176.7255 21 L 4.2577 7.9124 118.0516 55.6795 41.7215 177.7108 22 A 4.4524 7.4177 117.4840 52.7964 19.3312 178.1469 23 D 4.3316 7.6863 116.8074 55.5893 41.6574 178.0464 24 E 4.2946 8.0204 117.8065 57.8510 30.2133 178.0546 25 S 4.4556 7.7903 116.3027 59.4313 61.5238 175.7616 26 L 4.2481 7.4211 122.6692 57.1307 42.1497 178.0787 27 E 4.2880 8.1265 119.3716 58.7691 29.4579 178.4744 28 S 4.3157 8.0579 113.6601 60.6849 63.2633 175.7600 29 T 4.0379 7.6079 114.9518 63.7438 67.0275 175.7659 30 R 4.1547 7.2338 118.6399 58.7327 30.8187 178.7014 31 R 4.0209 7.7610 116.5346 59.0478 30.1512 178.8287 32 M 4.1871 8.2069 118.9654 58.2443 31.7165 178.1618 33 L 3.9331 7.4209 120.0575 58.4056 42.2090 178.7726 34 Q 4.9606 7.8861 120.1100 58.1227 29.2291 177.6971 35 L 4.1003 7.7354 119.5209 56.8106 41.5395 179.4470 36 V 3.7717 7.5736 118.1378 65.6414 31.9103 177.4566 37 E 4.0130 7.6997 117.0191 59.7006 29.2345 179.3614 38 E 4.0581 8.1746 117.9185 59.1607 29.1103 179.4014 39 S 4.1615 7.6241 114.5362 60.7698 62.8874 176.5713 40 K 3.7996 8.4494 123.0490 59.5545 32.0621 178.5935 41 D 4.3171 8.7706 119.2437 57.3475 40.6902 178.3836 42 A 4.3148 8.0371 118.1235 53.3883 18.5919 178.6101 43 G 3.8316 7.3609 104.4726 46.5558 0.0000 176.2016 44 I 3.7061 8.1272 122.7706 64.3580 37.1593 178.6899 45 R 3.9451 7.9795 118.6541 59.6435 29.7302 179.2094 46 T 3.9083 7.8594 114.9665 66.4089 68.2443 176.5331 47 L 4.0117 7.7868 121.0054 57.7465 41.7711 179.6961 48 V 3.6706 8.1151 119.3516 65.0409 31.0502 178.3729 49 M 4.0508 8.0629 119.4206 58.2403 31.9679 178.5625 50 L 4.2897 7.7160 118.8364 57.2332 41.6471 179.2049 51 D 4.2439 7.8566 118.3672 57.2154 41.3589 177.8756 52 E 3.9553 7.8501 118.8435 59.6304 29.5491 179.3294 53 Q 4.0797 8.6663 118.3393 59.1549 28.6008 179.2775 54 G 3.7638 7.6233 105.1566 47.9533 0.0000 175.1416 55 E 4.4262 8.1638 121.8483 58.6397 29.6457 179.1379 56 Q 4.0128 8.0427 118.0609 58.9275 28.6598 178.6332 57 L 4.1884 8.1525 119.0398 56.7022 41.5395 178.7431 58 D 4.4562 8.0563 119.3727 56.6234 41.2827 178.7426 59 R 4.0108 7.8876 118.1007 59.3725 29.8889 179.0470 60 V 3.6002 7.5265 116.8400 65.8894 31.8603 177.4556 61 E 4.0756 7.8976 119.2447 59.2347 29.5232 178.3302 62 E 4.0904 8.2757 118.8675 59.5233 29.5133 179.5759 63 G 3.6705 8.1265 105.5101 48.3290 0.0000 175.6701 64 M 4.3705 7.9327 120.4665 57.6371 31.9325 178.5333 65 N 4.4110 8.0480 116.4340 56.0583 39.0715 176.6239 66 H 4.0451 8.8377 119.9926 59.3257 29.8772 177.3790 67 I 3.7009 8.2911 121.8372 64.5036 36.5996 177.9585 68 N 4.3477 8.3528 117.4008 56.0497 38.7931 176.2895 69 Q 4.2773 8.0089 120.8143 58.9565 29.2159 177.0645 70 D 4.5516 7.8748 119.0422 56.8372 40.9666 178.6275 71 M 4.0997 8.2065 119.8878 58.2028 31.7217 178.7864 72 K 4.0724 7.4194 118.2506 59.0648 31.9268 178.7464 73 E 4.0454 7.7575 118.5613 59.0984 29.6207 178.4671 74 A 4.1647 7.8315 120.3777 54.1324 18.4159 178.3334 75 E 4.1394 7.7496 115.6248 57.3504 29.9898 177.3645 76 K 4.3081 7.6225 118.1362 58.9928 33.0278 177.3357 77 N 4.6019 8.0090 113.4474 54.7316 38.8548 175.7596 78 L 4.2665 7.6635 117.9772 56.4518 42.5638 178.3438 79 K 4.0982 7.9458 119.7231 59.4226 32.3272 178.4316 80 D 4.5567 8.0215 116.9151 56.3733 41.0642 177.0431 81 L 4.5178 7.2280 118.3826 53.9234 40.9852 176.6997 82 G 4.3633 8.1227 110.2605 45.9145 0.0000 170.8697 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 8 R 8.25 4.34 0.00 1.82 1.99 0.00 3.11 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 9 N 8.44 4.72 0.00 2.83 2.74 0.00 0.00 7.09 6.77 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 10 E 8.99 4.15 0.00 1.99 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 2.27 2.32 0.00 11 L 7.86 4.44 0.00 1.63 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.95 4.46 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 13 E 7.62 4.47 0.00 1.93 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 2.30 2.33 0.00 14 M 7.88 4.61 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 15 Q 7.89 4.35 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 16 R 7.42 4.07 0.00 2.03 1.96 0.00 3.12 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 1.63 1.86 0.00 17 R 8.16 4.38 0.00 1.82 2.07 0.00 3.56 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.49 0.00 18 A 7.53 4.03 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 19 D 7.66 4.58 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.72 4.22 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.62 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 21 L 7.91 4.26 0.00 1.77 1.68 0.92 0.63 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 22 A 7.42 4.45 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 23 D 7.69 4.33 0.00 2.87 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 24 E 8.02 4.29 0.00 2.00 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 2.35 2.51 0.00 25 S 7.79 4.46 0.00 3.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.42 4.25 0.00 2.07 1.64 0.92 0.77 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 27 E 8.13 4.29 0.00 2.28 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 2.30 2.35 0.00 28 S 8.06 4.32 0.00 4.13 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 4.04 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 30 R 7.23 4.15 0.00 2.06 1.94 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.88 0.00 31 R 7.76 4.02 0.00 1.82 1.99 0.00 3.16 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 32 M 8.21 4.19 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 33 L 7.42 3.93 0.00 2.04 1.86 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.89 4.96 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 35 L 7.74 4.10 0.00 1.85 1.70 0.94 1.23 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 36 V 7.57 3.77 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 0.96 0.00 0.00 0.97 0.00 0.00 37 E 7.70 4.01 0.00 2.09 1.99 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 2.33 2.43 0.00 38 E 8.17 4.06 0.00 2.05 1.99 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 2.33 2.50 0.00 39 S 7.62 4.16 0.00 4.16 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.45 3.80 0.00 1.85 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 D 8.77 4.32 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.31 1.32 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 0.00 0.00 43 G 7.36 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.13 3.71 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 1.52 0.83 0.91 0.00 0.00 45 R 7.98 3.95 0.00 1.87 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 46 T 7.86 3.91 4.42 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 1.21 0.00 0.00 47 L 7.79 4.01 0.00 1.89 1.70 0.92 0.80 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 48 V 8.12 3.67 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 0.87 0.00 0.00 0.93 0.00 0.00 49 M 8.06 4.05 0.00 2.10 2.33 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 2.84 2.57 0.00 50 L 7.72 4.29 0.00 1.80 1.73 0.92 1.10 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 51 D 7.86 4.24 0.00 2.74 2.79 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 52 E 7.85 3.96 0.00 2.12 1.99 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 2.33 2.52 0.00 53 Q 8.67 4.08 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 54 G 7.62 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.16 4.43 0.00 2.20 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 2.32 2.34 0.00 56 Q 8.04 4.01 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 57 L 8.15 4.19 0.00 1.74 1.71 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.06 4.46 0.00 2.83 2.69 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 59 R 7.89 4.01 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 60 V 7.53 3.60 2.23 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 0.79 0.00 0.00 0.98 0.00 0.00 61 E 7.90 4.08 0.00 2.18 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 2.31 2.35 0.00 62 E 8.28 4.09 0.00 2.28 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 2.35 2.48 0.00 63 G 8.13 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.93 4.37 0.00 2.08 2.13 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 2.62 2.88 0.00 65 N 8.05 4.41 0.00 2.86 2.86 0.00 0.00 6.79 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.84 4.05 0.00 3.35 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.29 3.70 1.97 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 1.43 0.60 0.92 0.00 0.00 68 N 8.35 4.35 0.00 2.91 2.85 0.00 0.00 6.95 6.67 0.00 0.00 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 Q 8.01 4.28 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 70 D 7.87 4.55 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.21 4.10 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.87 0.00 72 K 7.42 4.07 0.00 2.04 1.87 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.47 1.60 7.81 73 E 7.76 4.05 0.00 2.13 2.16 0.00 0.00 0.00 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 2.36 0.00 74 A 7.83 4.16 1.31 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 0.00 0.00 75 E 7.75 4.14 0.00 2.17 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 2.32 2.31 0.00 76 K 7.62 4.31 0.00 1.87 1.93 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 77 N 8.01 4.60 0.00 2.75 2.85 0.00 0.00 6.89 7.85 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 78 L 7.66 4.27 0.00 1.74 1.72 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.95 4.10 0.00 1.95 1.95 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.46 7.81 80 D 8.02 4.56 0.00 2.72 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 81 L 7.23 4.52 0.00 1.63 1.59 0.92 0.91 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 82 G 8.12 4.36 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 0.00