NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4863 8.2048 119.7466 54.8151 34.0674 175.9064 2 K 3.8969 7.5311 114.0386 54.2277 34.2314 175.5884 3 K 3.9906 8.0992 117.6761 56.8428 30.5276 175.2917 4 D 4.3535 7.9967 115.2727 54.5489 39.6672 173.2835 5 I 4.3439 10.9519 114.6313 61.2540 40.3960 174.9079 6 H 3.8281 8.6330 114.4110 56.3784 27.4060 171.3405 7 P 4.4607 0.0000 0.0000 62.1822 30.8153 177.4692 8 K 4.2179 7.6425 117.2458 56.2339 33.7267 176.7755 9 Y 4.7140 8.8964 129.6551 58.5524 41.6342 171.9105 10 E 3.7740 8.4604 129.0258 57.1408 27.6614 174.1711 11 E 4.1745 7.9829 120.8095 56.0391 30.5871 177.7994 12 I 4.2087 8.1317 117.6464 60.0353 39.3422 174.6890 13 T 3.8335 6.8146 109.7494 62.1865 71.4442 171.7805 14 A 4.7505 8.1094 124.1851 49.4081 18.6051 175.9492 15 S 4.2190 7.9083 117.9958 59.3553 63.9044 173.7084 16 C 4.7979 8.0878 118.0535 59.2573 32.0535 174.9668 17 S 4.4732 8.4068 110.9436 58.7491 63.3896 174.6061 18 C 3.8708 8.3849 118.3422 61.0259 26.6446 177.4060 19 G 3.8560 5.9474 115.9761 45.5330 0.0000 171.1683 20 N 4.1151 8.5092 119.5582 54.2966 38.5215 175.1089 21 V 4.4394 7.0848 122.5506 60.7599 34.0347 173.2191 22 M 5.3395 7.9108 128.0376 55.7515 34.4903 175.8679 23 K 4.1245 7.3874 120.2602 56.4087 33.4789 174.7602 24 I 4.5572 8.0321 117.9771 59.7528 39.5321 175.0699 25 R 4.6782 8.0703 123.8818 55.7002 33.4434 171.8831 26 S 5.2082 7.9955 114.1859 59.7877 66.6012 173.9393 27 T 4.0568 7.3386 113.1538 64.5994 72.2041 173.7035 28 V 4.0985 8.2941 118.6433 59.5760 34.0989 177.3283 29 G 3.6856 8.0234 107.2790 44.7665 0.0000 171.3349 30 H 5.0581 8.3975 115.0071 54.1553 34.2799 173.7808 31 D 4.5532 8.7828 119.7735 53.6496 41.1861 180.1285 32 L 3.9471 10.2182 128.0841 55.4163 40.9091 172.1727 33 N 5.0871 7.7699 115.4410 52.6104 40.8218 173.4004 34 L 4.2030 8.4045 118.5736 57.5810 46.6203 171.2878 35 D 4.9898 9.4216 119.6097 54.7275 40.1390 173.8886 36 V 4.4659 8.0770 122.5726 61.0129 34.1662 174.2779 37 C 4.5469 8.6468 126.3124 58.8541 32.4408 172.9991 38 S 4.6461 8.5589 118.1629 57.9358 62.9800 174.1324 39 K 4.1967 7.7527 118.0428 58.0074 33.6985 177.7549 40 C 4.1639 9.1288 120.2737 59.9491 29.1214 175.5523 41 H 5.0406 9.1023 111.5313 53.1541 33.7825 171.0101 42 P 4.7740 0.0000 0.0000 62.4099 28.6663 176.2537 43 F 4.1986 8.1800 118.6225 57.7160 39.9577 175.0703 44 F 5.6253 9.3586 116.9919 55.0223 40.5190 174.4576 45 T 3.2549 7.1689 118.5479 61.8203 68.8950 171.4920 46 G 4.2866 8.0582 114.3836 44.7361 0.0000 172.1955 47 K 5.3511 8.3064 127.2350 54.1845 35.8139 175.0419 48 Q 4.5603 8.3277 119.9032 54.6245 31.6674 176.1025 49 R 4.0713 8.2560 122.8558 56.7820 30.8245 174.9851 50 D 4.2583 8.4757 113.3830 55.3980 40.7099 173.8227 51 V 4.1720 9.0409 115.5475 64.2141 33.7926 177.4996 52 A 3.8839 8.3552 123.3777 55.4002 18.7273 179.0087 53 T 3.8124 8.2576 110.1013 65.2617 67.3574 176.2637 54 G 4.3099 7.8183 108.0601 45.9356 0.0000 174.0169 55 G 4.6136 8.5315 104.3997 43.2710 0.0000 173.7781 56 R 4.7502 7.7393 113.5210 56.6381 34.5379 176.3619 57 V 3.7633 7.5789 118.4153 65.5813 32.2979 176.2496 58 D 4.3141 8.2287 119.1618 54.8214 40.2757 176.7505 59 R 4.6776 8.3209 114.8278 55.6773 32.4864 176.6882 60 F 4.1757 9.6109 119.4883 60.2859 38.8662 175.2902 61 N 4.7049 7.5933 117.2092 55.0941 39.7517 176.2648 62 K 4.6244 7.7083 117.5797 57.3446 32.6435 177.5345 63 R 4.5280 8.0075 116.1401 56.0229 31.2988 174.5802 64 F 4.3359 8.3969 118.5161 58.9155 38.9929 175.7339 65 N 4.4061 7.6040 118.8064 54.5126 38.9126 176.7117 66 I 3.6583 8.2206 117.7397 64.2522 37.9792 176.8618 67 P 4.1441 0.0000 0.0000 65.0459 31.1334 177.8443 68 G 3.6596 7.5329 107.1880 48.4761 0.0000 175.0763 69 S 4.6027 7.4724 117.1835 56.4198 62.7042 174.6550 70 K 4.3602 7.5945 122.8844 56.6998 32.0854 176.9998 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 1 M 8.20 4.49 0.00 1.85 2.03 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 2 K 7.53 3.90 0.00 1.72 1.66 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.04 1.30 7.81 3 K 8.10 3.99 0.00 2.46 2.30 0.00 1.83 0.00 0.00 2.06 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.52 7.81 4 D 8.00 4.35 0.00 2.92 3.13 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 0.00 5 I 10.95 4.34 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 1.16 0.44 0.88 0.00 0.00 6 H 8.63 3.83 0.00 3.17 3.55 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.46 0.00 2.20 2.11 0.00 3.72 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 1.93 1.97 0.00 8 K 7.64 4.22 0.00 1.80 1.78 0.00 1.89 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 1.49 1.70 7.81 9 Y 8.90 4.71 0.00 3.28 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 10 E 8.46 3.77 0.00 2.49 2.12 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 2.27 2.43 0.00 11 E 7.98 4.17 0.00 2.18 1.86 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 2.33 2.24 0.00 12 I 8.13 4.21 1.87 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 1.48 0.54 0.92 0.00 0.00 13 T 6.81 3.83 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 14 A 8.11 4.75 1.24 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 0.00 0.00 0.00 15 S 7.91 4.22 0.00 3.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.09 4.80 0.00 2.89 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 17 S 8.41 4.47 0.00 3.92 3.86 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 18 C 8.38 3.87 0.00 3.15 2.89 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 19 G 5.95 3.86 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 0.00 0.00 0.00 20 N 8.51 4.12 0.00 2.67 2.83 0.00 0.00 6.65 7.71 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 21 V 7.08 4.44 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 0.74 0.00 0.00 0.92 0.00 0.00 22 M 7.91 5.34 0.00 2.06 2.10 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 2.36 2.24 0.00 23 K 7.39 4.12 0.00 1.78 1.67 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.43 7.81 24 I 8.03 4.56 2.05 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 1.23 1.05 0.91 0.00 0.00 25 R 8.07 4.68 0.00 1.94 1.77 0.00 3.03 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 26 S 8.00 5.21 0.00 3.74 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 27 T 7.34 4.06 4.33 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 1.19 0.00 0.00 28 V 8.29 4.10 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 0.67 0.00 0.00 0.86 0.00 0.00 29 G 8.02 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 30 H 8.40 5.06 0.00 3.05 3.19 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.78 4.55 0.00 2.66 2.17 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 32 L 10.22 3.95 0.00 1.88 1.77 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.77 5.09 0.00 2.99 2.96 0.00 0.00 5.80 7.79 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 34 L 8.40 4.20 0.00 1.56 1.40 0.94 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 D 9.42 4.99 0.00 2.84 2.88 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 0.00 0.00 0.00 36 V 8.08 4.47 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 0.89 0.00 0.00 1.00 0.00 0.00 37 C 8.65 4.55 0.00 2.93 2.88 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 0.00 0.00 0.00 38 S 8.56 4.65 0.00 3.80 3.77 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 0.00 0.00 0.00 0.00 39 K 7.75 4.20 0.00 1.73 1.57 0.00 2.04 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.38 7.81 40 C 9.13 4.16 0.00 3.15 2.77 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 0.00 0.00 0.00 0.00 41 H 9.10 5.04 0.00 3.10 3.33 0.00 5.93 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 42 P 0.00 4.77 0.00 2.10 2.06 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 43 F 8.18 4.20 0.00 2.85 3.12 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 44 F 9.36 5.63 0.00 3.36 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.17 3.25 3.99 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 1.15 0.00 0.00 46 G 8.06 4.29 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 0.00 47 K 8.31 5.35 0.00 1.73 1.81 0.00 1.11 0.00 0.00 2.35 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.21 7.81 48 Q 8.33 4.56 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 49 R 8.26 4.07 0.00 1.80 1.74 0.00 3.44 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 50 D 8.48 4.26 0.00 2.71 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 51 V 9.04 4.17 2.32 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 1.02 0.00 0.00 1.04 0.00 0.00 52 A 8.36 3.88 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 53 T 8.26 3.81 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 54 G 7.82 4.31 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 0.00 55 G 8.53 4.61 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 56 R 7.74 4.75 0.00 2.19 2.17 0.00 3.27 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.88 0.00 57 V 7.58 3.76 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 0.79 0.00 0.00 0.95 0.00 0.00 58 D 8.23 4.31 0.00 2.72 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.68 0.00 2.08 2.03 0.00 3.17 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 60 F 9.61 4.18 0.00 2.92 3.19 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 61 N 7.59 4.70 0.00 2.88 2.76 0.00 0.00 7.07 7.10 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 62 K 7.71 4.62 0.00 1.82 1.84 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.45 7.81 63 R 8.01 4.53 0.00 1.73 1.89 0.00 3.28 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 64 F 8.40 4.34 0.00 3.03 3.02 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 65 N 7.60 4.41 0.00 2.84 2.63 0.00 0.00 7.07 7.76 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 66 I 8.22 3.66 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.22 0.87 0.00 0.00 67 P 0.00 4.14 0.00 1.38 1.80 0.00 3.45 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 68 G 7.53 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 0.00 0.00 0.00 69 S 7.47 4.60 0.00 3.84 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 70 K 7.59 4.36 0.00 1.77 1.66 0.00 1.11 0.00 0.00 2.31 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.34 7.81