NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1044 8.3101 121.7904 54.8558 34.1666 176.2384 20 A 4.0720 7.2895 127.0027 49.6195 20.2057 174.7258 21 K 4.3333 8.5514 122.4267 57.1865 34.2068 176.8709 22 V 3.8131 7.9857 124.1572 64.9442 31.4278 177.8630 23 K 4.4014 8.3524 119.7903 59.5464 31.8549 178.6121 24 A 4.2058 7.9185 119.6224 55.1655 18.7086 179.2681 25 T 3.9864 7.9733 114.4276 64.9194 68.3534 174.4113 26 L 4.7944 6.9275 118.0344 52.7029 44.6734 176.9046 27 G 4.1004 8.1885 111.0239 45.1665 0.0000 173.1968 28 E 4.1034 8.7421 122.3987 56.4479 30.3843 176.8548 29 F 4.7278 7.5324 116.8431 56.0722 40.2693 172.8884 30 D 4.5764 8.6425 122.4324 53.6982 41.3383 176.5134 31 L 5.3008 8.2838 129.2180 55.8902 41.1493 177.3616 32 R 4.5444 7.9038 114.2175 57.0007 33.5670 175.3481 33 D 4.4536 7.7176 118.4160 53.6260 40.0562 175.1504 34 Y 4.6626 7.9747 126.2777 57.3079 38.1756 177.0011 35 R 4.4297 7.7479 119.1274 58.3836 34.6100 176.5816 36 N 4.6943 8.0356 115.6307 53.7085 35.4608 176.4682 37 V 3.4670 7.4816 115.3484 65.2363 32.0434 177.9758 38 E 3.9491 8.0888 116.8259 60.0842 29.5274 178.9914 39 V 3.3052 7.9742 118.3613 65.0089 31.4904 177.5494 40 L 4.0854 7.7611 117.7034 58.2313 41.5697 179.4818 41 K 3.7822 8.5633 118.6963 59.7574 31.9473 178.2492 42 R 3.8882 7.5628 118.4292 58.8179 30.2273 176.8695 43 F 4.7603 7.5315 116.2423 57.7152 38.6365 176.5316 44 L 4.3361 7.8227 124.0640 53.9068 43.3307 173.4006 45 S 3.8500 8.0106 119.7344 57.4476 64.4612 172.0823 46 E 4.8087 8.4899 122.7682 56.0210 28.1310 177.1481 47 T 4.7444 7.9969 112.7259 63.1549 74.7190 175.9384 48 G 4.0354 8.5091 109.0020 45.3688 0.0000 174.5981 49 K 3.7944 7.8380 117.7746 56.8032 32.4099 176.3046 50 I 3.8724 8.2484 123.4566 61.2514 37.2634 175.8475 51 L 4.1566 8.2891 127.6399 54.4761 41.7631 175.9828 52 P 4.3409 0.0000 0.0000 63.0583 32.3040 177.4026 53 R 3.8512 8.7123 119.4350 59.7898 30.3359 179.3958 54 R 4.6330 7.6749 115.8487 55.3482 29.1630 176.5940 55 R 4.8194 7.6205 116.0656 57.7456 37.7400 178.1823 56 T 4.0401 7.9592 107.8226 63.0958 69.3086 175.4517 57 G 3.6899 8.1950 108.4099 46.2122 0.0000 172.7207 58 L 4.8840 7.4471 116.6454 52.5766 44.7579 177.2775 59 S 4.4430 9.2734 115.2360 57.1035 64.6691 174.8188 60 A 3.9603 8.4958 125.6635 55.6010 17.8930 179.9540 61 K 3.9824 7.9535 117.0381 59.4945 32.3403 178.5809 62 E 3.9635 7.9838 118.6525 59.1333 29.4405 178.3976 63 Q 3.8570 8.1651 119.4526 60.4489 29.0232 178.6275 64 R 3.7378 7.6709 116.1853 60.1700 30.0375 178.3168 65 I 3.6426 7.8198 111.6000 64.9944 37.5573 177.3709 66 L 3.8941 8.0388 121.4956 57.9624 41.7665 178.5080 67 A 4.0018 8.5956 120.5716 55.2726 18.3358 179.5879 68 K 3.9581 8.3772 118.5099 59.7090 32.4075 178.8871 69 T 4.1619 8.0649 109.5107 63.7909 68.8957 177.0909 70 I 3.6779 8.0379 123.7231 64.3169 36.9635 177.9264 71 K 3.7110 8.0757 118.3065 59.8046 32.2635 178.8299 72 R 3.9830 7.6797 117.5565 59.5180 30.1499 178.7728 73 A 4.0898 7.8885 119.5476 55.4071 18.2465 179.6584 74 R 4.0641 7.8346 116.1784 57.8470 30.2265 178.3051 75 I 4.3422 7.9957 119.9686 63.0983 37.8791 177.3473 76 L 4.4110 7.7322 116.3442 54.7549 40.9272 178.8673 77 G 4.0148 7.9277 106.1452 46.0009 0.0000 175.4200 78 L 4.0434 7.2804 119.7043 57.5699 42.1068 177.5778 79 L 4.2409 7.4362 117.9025 53.8913 42.6593 175.1218 80 P 4.6207 0.0000 0.0000 62.5463 32.0892 176.8161 81 F 4.2289 8.7415 119.9137 60.3032 39.5997 176.3029 82 T 4.8338 7.3884 112.9039 62.5140 72.2091 172.9549 83 E 4.8616 8.7976 122.9812 53.8874 32.1671 175.8082 84 K 4.1016 8.8007 122.9700 56.7676 33.3500 176.4242 85 L 4.1819 8.4278 125.3432 54.9685 43.4217 178.3700 86 V 4.0748 8.0642 123.5527 60.5959 31.4429 175.7557 87 R 3.9189 8.4617 125.9766 57.8991 30.4069 176.8027 88 K 4.0282 8.3353 121.4222 57.8468 31.8962 174.4883 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 19 K 8.31 4.10 0.00 1.72 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.29 4.07 1.25 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 0.00 0.00 0.00 21 K 8.55 4.33 0.00 1.82 1.82 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.47 7.81 22 V 7.99 3.81 2.43 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 0.62 0.00 0.00 1.06 0.00 0.00 23 K 8.35 4.40 0.00 2.15 1.89 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.68 7.81 24 A 7.92 4.21 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 25 T 7.97 3.99 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 nan 0.00 0.00 26 L 6.93 4.79 0.00 1.69 1.46 0.38 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.19 4.10 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 0.00 0.00 0.00 28 E 8.74 4.10 0.00 1.95 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 2.25 2.22 0.00 29 F 7.53 4.73 0.00 3.14 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 30 D 8.64 4.58 0.00 2.80 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 31 L 8.28 5.30 0.00 1.91 1.93 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.90 4.54 0.00 1.96 1.99 0.00 3.17 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 1.60 1.58 0.00 33 D 7.72 4.45 0.00 2.92 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 34 Y 7.97 4.66 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 35 R 7.75 4.43 0.00 1.66 1.83 0.00 3.08 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 0.00 36 N 8.04 4.69 0.00 2.98 3.09 0.00 0.00 6.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.48 3.47 2.05 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 0.92 0.00 0.00 0.94 0.00 0.00 38 E 8.09 3.95 0.00 1.85 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 2.27 2.38 0.00 39 V 7.97 3.31 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 0.56 0.00 0.00 0.83 0.00 0.00 40 L 7.76 4.09 0.00 1.73 1.80 1.07 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 41 K 8.56 3.78 0.00 1.58 1.94 0.00 1.75 0.00 0.00 1.58 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.42 7.81 42 R 7.56 3.89 0.00 1.47 1.16 0.00 3.03 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 43 F 7.53 4.76 0.00 3.24 2.94 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 0.00 0.00 0.00 44 L 7.82 4.34 0.00 1.77 1.66 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.01 3.85 0.00 4.22 4.08 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 46 E 8.49 4.81 0.00 1.98 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 2.30 2.26 0.00 47 T 8.00 4.74 4.26 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 1.22 0.00 0.00 48 G 8.51 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 49 K 7.84 3.79 0.00 1.77 1.80 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.44 7.81 50 I 8.25 3.87 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.91 0.00 0.00 51 L 8.29 4.16 0.00 1.85 1.69 1.02 0.85 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 52 P 0.00 4.34 0.00 2.12 2.22 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 53 R 8.71 3.85 0.00 1.90 1.96 0.00 3.22 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 54 R 7.67 4.63 0.00 1.83 1.93 0.00 3.34 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 55 R 7.62 4.82 0.00 1.98 1.93 0.00 3.30 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 56 T 7.96 4.04 4.13 0.00 0.00 0.00 0.00 0.00 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 57 G 8.19 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 0.00 0.00 0.00 58 L 7.45 4.88 0.00 1.64 1.58 0.82 0.75 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 59 S 9.27 4.44 0.00 3.83 3.92 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 0.00 0.00 0.00 60 A 8.50 3.96 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 61 K 7.95 3.98 0.00 1.82 1.79 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 E 7.98 3.96 0.00 2.23 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 2.34 2.32 0.00 63 Q 8.17 3.86 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 64 R 7.67 3.74 0.00 2.19 1.86 0.00 3.19 0.00 0.00 3.21 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 65 I 7.82 3.64 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.80 0.90 0.00 0.00 66 L 8.04 3.89 0.00 1.67 1.69 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.60 4.00 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 68 K 8.38 3.96 0.00 1.90 1.96 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 69 T 8.06 4.16 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 1.32 0.00 0.00 70 I 8.04 3.68 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.94 0.89 0.00 0.00 71 K 8.08 3.71 0.00 1.83 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 72 R 7.68 3.98 0.00 1.98 1.83 0.00 3.09 0.00 0.00 2.81 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 73 A 7.89 4.09 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 74 R 7.83 4.06 0.00 1.33 1.04 0.00 2.92 0.00 0.00 2.67 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.64 0.00 75 I 8.00 4.34 2.01 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 1.64 1.63 0.96 0.00 0.00 76 L 7.73 4.41 0.00 1.90 1.75 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.93 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 78 L 7.28 4.04 0.00 1.70 1.67 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.44 4.24 0.00 1.72 1.51 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.62 0.00 2.04 1.99 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 81 F 8.74 4.23 0.00 3.06 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 82 T 7.39 4.83 4.32 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 1.25 0.00 0.00 83 E 8.80 4.86 0.00 1.93 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 2.26 2.22 0.00 84 K 8.80 4.10 0.00 1.79 1.87 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 85 L 8.43 4.18 0.00 1.61 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.06 4.07 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 0.72 0.00 0.00 0.93 0.00 0.00 87 R 8.46 3.92 0.00 1.76 1.86 0.00 3.45 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 88 K 8.34 4.03 0.00 1.83 1.70 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.16 1.33 7.81