NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4608 8.3344 116.8097 58.1960 64.5135 172.4642 8 D 4.7775 8.3162 121.3526 52.5253 42.5665 173.5715 9 F 5.3849 8.8551 116.5503 55.2907 41.9044 173.5536 10 V 4.5219 8.8413 112.8157 59.5857 35.0526 174.7896 11 V 4.7898 8.6163 124.5549 61.5328 33.6451 174.5694 12 I 4.9052 9.2210 128.2702 59.5173 40.8204 174.0999 13 K 5.0169 9.0357 129.4572 54.3143 34.1150 175.1806 14 A 4.4252 8.7359 130.7465 52.2988 19.0021 177.4015 15 L 4.6128 8.9562 122.8365 54.7960 42.4698 176.1128 16 E 4.6756 7.6703 115.5697 54.8578 32.3500 174.4203 17 D 4.4833 8.3923 119.3090 55.5201 41.3844 176.7645 18 G 3.8668 8.6977 108.9706 46.0784 0.0000 174.0729 19 V 3.8402 7.3394 119.9439 63.2088 32.8008 174.5433 20 N 5.3254 9.1167 124.7399 51.5504 41.2540 173.6931 21 V 4.4679 8.7236 125.1790 61.5321 33.2656 174.3020 22 I 4.6363 8.6782 130.1992 59.4385 39.5879 175.0217 23 G 4.1962 8.6658 114.6610 44.9085 0.0000 172.4851 24 L 5.4725 8.7267 126.2487 53.2064 43.9486 176.3536 25 T 4.5466 8.7932 114.6343 61.8176 69.1384 174.2485 26 R 4.3183 7.8198 126.8294 56.7809 30.9758 174.9115 27 G 3.7356 8.8392 109.5903 43.8624 0.0000 173.1957 28 A 4.0870 8.6018 121.3345 54.4870 18.5749 177.8550 29 D 4.8354 7.8027 114.1044 53.2957 42.6045 176.1682 30 T 4.7441 8.2815 118.0875 61.9905 71.1472 173.1731 31 R 4.7225 8.9703 122.3983 54.2645 33.9147 174.1317 32 F 5.2083 8.6493 118.7197 57.9780 38.9128 175.3649 33 H 4.9659 9.1642 118.9481 56.3420 30.5298 174.3818 34 H 4.7504 7.7730 118.1516 55.1089 33.3701 172.1415 35 S 4.8809 8.3759 121.6627 56.7199 64.8966 173.0468 36 E 4.3119 9.2530 127.8621 54.9485 30.6996 174.8300 37 K 4.8101 8.6097 128.8127 55.5062 33.4880 175.4133 38 L 4.9709 9.0473 127.3597 53.2105 44.7259 175.8127 39 D 4.8303 9.1797 123.0891 52.0668 43.7812 175.9267 40 K 3.9821 9.1420 121.8543 58.4424 32.3572 176.8064 41 G 4.0440 9.1477 115.4393 45.3001 0.0000 173.6887 42 E 4.2544 8.0888 119.2291 56.3059 30.8283 176.1332 43 V 4.9236 8.2561 121.5572 61.0099 34.5425 174.2242 44 L 4.6975 9.1533 129.8104 53.3080 44.7710 174.8646 45 I 4.9398 8.5343 126.9942 59.7685 38.6531 174.6725 46 A 4.7341 9.0296 129.7012 50.0186 21.7483 175.4353 47 Q 4.7794 8.6185 120.9229 55.1498 30.2591 175.8742 48 F 4.7391 8.4457 120.4112 57.9943 39.9013 175.0385 49 T 4.7066 8.8245 111.3296 60.1894 71.9032 173.3531 50 E 4.0124 8.8694 121.4389 59.1429 29.7552 177.0675 51 H 4.5495 8.1690 114.1506 56.1310 29.9831 174.0144 52 T 5.1596 8.3391 117.0675 61.9687 70.8125 174.4874 53 S 4.9524 9.0484 120.2111 58.0828 64.9258 173.4991 54 A 5.0713 7.8787 121.4315 51.1508 22.5628 175.1556 55 I 4.9794 8.5428 120.5865 59.3493 40.9668 174.6897 56 K 4.5703 9.1248 128.0405 54.4537 34.9790 174.5900 57 V 4.7658 8.3999 126.6195 61.0413 33.7415 174.3298 58 R 4.4527 8.9879 128.5322 55.4765 32.5184 174.3761 59 G 4.1803 9.0478 111.9639 43.4497 0.0000 172.6588 60 K 4.5139 9.7969 121.4902 56.1834 33.1189 175.6336 61 A 5.0873 8.7620 127.6302 51.0136 23.4162 173.7118 62 Y 4.8664 9.1497 121.7462 56.0781 40.9427 174.6170 63 I 5.0577 8.2981 126.9003 59.5620 41.0837 174.3963 64 Q 5.0949 9.0989 125.0239 54.4131 32.3236 174.8261 65 T 4.9446 8.5699 112.8865 59.6860 72.2690 174.5534 66 R 3.8166 8.4435 120.2024 59.4316 30.0863 176.7798 67 H 4.5788 7.8720 113.0466 55.4222 29.2907 173.5662 68 G 3.6966 7.3091 105.8386 43.8833 0.0000 172.8019 69 V 4.3700 8.0286 119.0223 62.1759 32.6912 176.2430 70 I 4.6715 8.3453 125.7139 59.4871 42.0696 173.2260 71 E 5.1240 8.5333 125.2639 54.4757 32.6941 175.7018 72 S 4.6322 8.6473 118.7606 57.6497 65.3227 172.8234 73 E 4.9223 8.5268 120.9109 54.1991 31.7978 176.4032 74 G 3.7184 8.8493 113.5716 44.9711 0.0000 173.0802 75 K 3.9610 8.7280 120.8713 56.7969 32.0176 176.4311 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 7 S 8.33 4.46 0.00 4.02 4.06 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 0.00 0.00 0.00 8 D 8.32 4.78 0.00 2.92 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.86 5.38 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.84 4.52 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 0.58 0.00 0.00 0.86 0.00 0.00 11 V 8.62 4.79 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 1.13 0.00 0.00 1.16 0.00 0.00 12 I 9.22 4.91 1.87 0.00 0.00 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 1.09 0.42 0.92 0.00 0.00 13 K 9.04 5.02 0.00 1.88 1.77 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.74 4.43 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.96 4.61 0.00 1.59 1.73 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.68 0.00 2.02 1.89 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 2.19 2.33 0.00 17 D 8.39 4.48 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.70 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.34 3.84 2.20 0.00 0.00 0.00 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 1.02 0.00 0.00 20 N 9.12 5.33 0.00 2.59 2.61 0.00 0.00 6.37 8.52 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 21 V 8.72 4.47 2.04 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 0.90 0.00 0.00 0.90 0.00 0.00 22 I 8.68 4.64 1.51 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.33 -0.09 0.00 0.00 23 G 8.67 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.73 5.47 0.00 1.76 1.72 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.79 4.55 4.30 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 1.38 0.00 0.00 26 R 7.82 4.32 0.00 1.90 1.96 0.00 3.20 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.60 4.09 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 29 D 7.80 4.84 0.00 2.69 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 30 T 8.28 4.74 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 1.28 0.00 0.00 31 R 8.97 4.72 0.00 1.80 1.96 0.00 2.79 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 32 F 8.65 5.21 0.00 2.91 2.86 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 0.00 0.00 0.00 33 H 9.16 4.97 0.00 3.14 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.77 4.75 0.00 3.30 3.09 0.00 5.81 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.38 4.88 0.00 3.67 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.25 4.31 0.00 2.10 1.81 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 2.27 2.30 0.00 37 K 8.61 4.81 0.00 1.78 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 9.05 4.97 0.00 1.56 1.52 0.92 0.91 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 39 D 9.18 4.83 0.00 2.57 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 9.14 3.98 0.00 1.73 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.43 7.81 41 G 9.15 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 42 E 8.09 4.25 0.00 2.05 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 2.32 2.25 0.00 43 V 8.26 4.92 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.15 4.70 0.00 1.72 1.46 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.53 4.94 1.77 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 1.30 0.77 0.75 0.00 0.00 46 A 9.03 4.73 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.62 4.78 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 48 F 8.45 4.74 0.00 3.05 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 49 T 8.82 4.71 4.30 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 1.32 0.00 0.00 50 E 8.87 4.01 0.00 1.93 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 2.08 2.28 0.00 51 H 8.17 4.55 0.00 3.29 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.34 5.16 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 53 S 9.05 4.95 0.00 3.88 4.09 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 54 A 7.88 5.07 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 55 I 8.54 4.98 1.84 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.69 0.83 0.00 0.00 56 K 9.12 4.57 0.00 1.69 1.38 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.31 7.81 57 V 8.40 4.77 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.99 4.45 0.00 1.83 1.70 0.00 3.12 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.05 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.80 4.51 0.00 1.90 1.72 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.76 5.09 1.27 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 0.00 0.00 62 Y 9.15 4.87 0.00 3.04 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 63 I 8.30 5.06 1.91 0.00 0.00 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 1.21 0.57 0.92 0.00 0.00 64 Q 9.10 5.09 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 65 T 8.57 4.94 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 66 R 8.44 3.82 0.00 1.72 1.78 0.00 3.20 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 67 H 7.87 4.58 0.00 3.18 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.31 3.70 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 0.00 0.00 0.00 69 V 8.03 4.37 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 0.17 0.00 0.00 0.86 0.00 0.00 70 I 8.35 4.67 1.80 0.00 0.00 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 1.19 1.06 0.84 0.00 0.00 71 E 8.53 5.12 0.00 1.82 1.81 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 2.12 2.11 0.00 72 S 8.65 4.63 0.00 3.97 3.96 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 73 E 8.53 4.92 0.00 1.83 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 2.20 2.28 0.00 74 G 8.85 3.72 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 0.00 0.00 0.00 75 K 8.73 3.96 0.00 1.73 1.75 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.48 7.81