NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.3224 8.0393 114.0042 61.5170 33.6039 173.3085 2 R 4.5566 8.9395 118.3800 54.1329 32.8768 172.8688 3 D 4.7814 8.3100 117.8964 52.8292 45.4193 176.5904 4 G 3.5595 7.0048 107.9957 45.3979 0.0000 171.3615 5 Y 4.6119 8.1357 117.3194 57.7295 39.2766 175.1247 6 I 4.2005 8.9874 124.6713 60.2834 39.6466 175.2450 7 A 4.8773 8.1783 132.5514 51.5464 20.6620 175.6417 8 Q 4.1856 7.8484 112.5771 53.7474 33.0199 172.6360 9 P 4.3622 0.0000 0.0000 62.9317 32.1210 176.5919 10 E 4.0391 8.9638 120.9570 58.8191 29.8631 177.0424 11 N 4.9207 7.0681 115.3996 52.2650 42.3268 174.2890 12 C 5.0007 7.5659 118.7953 57.3603 45.4491 172.8629 13 V 4.4229 8.1326 113.2518 60.5344 34.8872 175.6072 14 Y 4.5060 8.3093 122.9705 57.6508 41.4505 173.3136 15 H 5.0327 8.8816 114.0995 54.7444 33.5104 172.5305 16 C 4.8855 8.3383 118.2051 54.8143 45.2342 172.2585 17 F 4.8631 8.3243 117.3367 55.0357 41.4893 175.8311 18 P 4.7814 0.0000 0.0000 61.6617 30.1642 177.8628 19 G 4.0827 8.3531 103.9410 44.4987 0.0000 174.4910 20 S 4.8339 8.1820 125.6406 58.8368 63.4807 176.4213 21 S 4.2955 8.2468 120.2835 61.5293 63.0618 175.6461 22 G 3.3181 7.9963 108.9105 47.3353 0.0000 175.5214 23 C 4.4902 8.3083 118.9083 57.7726 40.9925 174.7178 24 D 4.2841 7.8539 119.8059 57.9778 40.7715 177.9780 25 T 3.8201 7.3492 109.8647 65.0391 68.3501 176.2606 26 L 4.0553 7.6162 121.9688 57.2100 41.5660 178.7713 27 C 4.1692 8.5677 118.7218 59.7257 44.6773 175.8544 28 K 4.2895 8.3132 121.7293 58.6767 31.4592 178.6724 29 E 4.2266 8.4634 116.0358 57.6577 29.8013 177.9248 30 K 4.5242 7.4285 118.1129 55.5905 32.8603 176.2056 31 G 3.8084 8.2234 107.5846 46.1326 0.0000 173.5784 32 G 4.0276 8.3391 106.8876 45.0626 0.0000 175.4240 33 T 4.3120 8.6073 121.1798 65.4682 69.3887 175.3235 34 S 4.9166 7.9018 116.9484 57.1383 65.7201 173.1344 35 G 4.5244 8.1224 108.2031 46.0036 0.0000 171.4167 36 H 4.7428 8.3539 115.5542 55.1311 32.5196 172.4351 37 C 4.9476 9.0921 116.9554 57.0806 39.3592 172.9183 38 G 4.5127 8.2347 104.7654 46.0606 0.0000 172.0459 39 F 5.0529 9.2008 122.1478 55.9113 42.3552 174.0148 40 K 3.7736 8.0996 127.7384 54.0439 33.7109 175.4392 41 V 4.1135 8.2699 127.9220 64.1715 32.2745 174.4022 42 G 4.1760 9.2012 114.2308 46.0170 0.0000 173.4543 43 H 4.5571 8.8229 113.8944 55.5677 31.1835 177.0756 44 G 3.3804 7.2005 108.5046 45.0461 0.0000 171.2022 45 L 3.7834 7.6276 124.8765 54.9426 42.9958 176.8129 46 A 5.2437 8.0452 127.4205 49.5810 22.2665 173.3610 47 C 5.2225 8.8396 113.2095 54.8646 42.6654 173.5940 48 W 5.3394 9.0237 129.8463 55.7947 33.8523 173.2147 49 C 5.3115 7.8010 120.6150 55.4043 42.8681 172.6264 50 N 4.9276 9.2473 119.1076 51.7660 41.3095 173.5182 51 A 3.6892 8.4720 123.7797 52.7267 16.0254 176.7967 52 L 4.7710 7.7913 122.3734 51.7081 44.1448 176.1088 53 P 4.7443 0.0000 0.0000 62.0432 32.1932 176.5519 54 D 4.6303 8.4458 117.5737 55.6590 40.7146 177.0998 55 N 4.5915 7.9254 115.8460 53.0080 38.1862 174.9714 56 V 4.1498 7.3827 119.3432 61.4347 32.8676 175.0847 57 G 4.1408 8.3196 115.2484 44.1599 0.0000 172.4476 58 I 4.5711 7.5603 113.2288 59.3334 40.9573 173.7930 59 I 4.0764 7.7691 122.1106 61.6128 37.0789 176.3107 60 V 4.5740 9.2476 126.8660 61.2292 34.3258 174.0664 61 E 4.6994 8.8728 123.2258 55.1442 32.8554 174.6962 62 G 3.8390 8.6665 113.3222 45.7294 0.0000 174.8260 63 E 3.9068 8.3584 118.9707 55.8812 27.8810 177.2747 64 K 4.3026 8.3130 116.8219 56.7069 37.0537 171.7531 65 C 5.1282 8.6552 118.7048 56.0331 39.7340 173.3944 66 H 5.0473 9.2283 120.0306 55.0239 32.0108 173.7920 67 S 4.2176 8.3348 115.0626 59.1637 63.4004 174.1697 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 V 8.04 4.32 2.15 0.00 0.00 0.00 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 0.92 0.00 0.00 2 R 8.94 4.56 0.00 1.71 1.96 0.00 2.82 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 3 D 8.31 4.78 0.00 2.45 2.40 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 4 G 7.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.14 4.61 0.00 2.94 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 6 I 8.99 4.20 1.83 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 1.30 1.39 1.05 0.00 0.00 7 A 8.18 4.88 1.22 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 0.00 0.00 0.00 8 Q 7.85 4.19 0.00 1.71 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 1.16 1.47 0.00 9 P 0.00 4.36 0.00 2.09 1.97 0.00 3.54 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 10 E 8.96 4.04 0.00 1.38 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 2.16 2.20 0.00 11 N 7.07 4.92 0.00 2.76 2.67 0.00 0.00 7.41 8.03 0.00 0.00 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 C 7.57 5.00 0.00 2.85 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 13 V 8.13 4.42 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 0.35 0.00 0.00 0.80 0.00 0.00 14 Y 8.31 4.51 0.00 3.28 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.88 5.03 0.00 2.87 2.97 0.00 5.89 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.34 4.89 0.00 3.06 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 17 F 8.32 4.86 0.00 3.24 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.78 0.00 2.11 2.14 0.00 3.82 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 2.16 0.00 19 G 8.35 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 0.00 0.00 0.00 20 S 8.18 4.83 0.00 3.96 3.97 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 21 S 8.25 4.30 0.00 4.01 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 0.00 22 G 8.00 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 0.00 0.00 0.00 23 C 8.31 4.49 0.00 3.04 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 24 D 7.85 4.28 0.00 2.87 2.76 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 25 T 7.35 3.82 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 1.20 0.00 0.00 26 L 7.62 4.06 0.00 1.42 1.15 0.37 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.57 4.17 0.00 3.02 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 28 K 8.31 4.29 0.00 2.05 1.84 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.41 7.81 29 E 8.46 4.23 0.00 2.13 2.09 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 2.54 2.41 0.00 30 K 7.43 4.52 0.00 1.92 1.89 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.72 1.74 7.81 31 G 8.22 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 32 G 8.34 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.31 4.25 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 1.22 0.00 0.00 34 S 7.90 4.92 0.00 3.85 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 35 G 8.12 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.35 4.74 0.00 3.29 3.45 0.00 5.46 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 9.09 4.95 0.00 2.99 3.20 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 38 G 8.23 4.51 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 0.00 39 F 9.20 5.05 0.00 3.08 2.92 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 40 K 8.10 3.77 0.00 0.87 1.16 0.00 1.31 0.00 0.00 1.18 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.97 1.17 7.81 41 V 8.27 4.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.06 0.00 0.00 42 G 9.20 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 43 H 8.82 4.56 0.00 3.05 3.14 0.00 5.80 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 44 G 7.20 3.38 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 0.00 45 L 7.63 3.78 0.00 1.64 1.57 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.05 5.24 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.84 5.22 0.00 3.14 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 9.02 5.34 0.00 3.43 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 C 7.80 5.31 0.00 2.67 2.76 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 50 N 9.25 4.93 0.00 2.72 2.73 0.00 0.00 7.21 7.87 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 51 A 8.47 3.69 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.77 0.00 1.63 1.51 0.81 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.74 0.00 2.40 1.97 0.00 3.57 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 54 D 8.45 4.63 0.00 2.65 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 55 N 7.93 4.59 0.00 2.81 2.91 0.00 0.00 5.97 7.67 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 56 V 7.38 4.15 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 0.84 0.00 0.00 1.01 0.00 0.00 57 G 8.32 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 0.00 0.00 0.00 58 I 7.56 4.57 2.01 0.00 0.00 0.75 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 0.59 0.82 0.00 0.00 59 I 7.77 4.08 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.72 0.00 0.00 60 V 9.25 4.57 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 0.70 0.00 0.00 0.93 0.00 0.00 61 E 8.87 4.70 0.00 2.10 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 62 G 8.67 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 0.00 0.00 0.00 63 E 8.36 3.91 0.00 1.88 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 64 K 8.31 4.30 0.00 1.68 1.67 0.00 1.47 0.00 0.00 0.61 0.00 0.00 3.02 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.14 1.20 7.81 65 C 8.66 5.13 0.00 3.05 2.96 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 66 H 9.23 5.05 0.00 3.16 3.27 0.00 5.33 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.33 4.22 0.00 3.69 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00