NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 Y 4.8355 8.1449 118.3178 58.3147 39.8758 174.0864 22 I 4.4287 8.3341 121.3251 59.0712 42.1538 172.6970 23 K 4.8266 9.7786 129.5981 56.5004 34.0238 175.3344 24 L 5.1131 9.1013 126.2539 53.0810 46.2391 175.3143 25 K 4.9676 8.9830 123.2471 55.2236 34.1810 175.5849 26 V 4.7066 9.2333 126.0047 61.4732 33.5414 174.3006 27 I 5.5815 8.1891 129.3031 58.9879 39.6632 176.0038 28 G 4.0259 8.0973 114.6585 44.5235 0.0000 174.2982 29 Q 4.0635 8.5898 120.2936 58.6484 29.2032 176.9704 30 D 4.3758 7.9226 116.5242 55.0010 39.4897 177.2046 31 S 4.4920 8.2377 114.8660 58.0181 61.1888 168.9378 32 S 4.3505 8.5057 115.8680 58.7452 64.0370 173.4197 33 E 5.0373 8.7563 120.6732 55.0736 32.3268 174.6253 34 I 4.5596 8.8760 126.0368 59.7203 39.9537 174.7784 35 H 5.3957 8.6644 123.5613 54.5944 30.6101 174.5510 36 F 4.8958 8.9690 120.0105 55.5017 43.1033 173.8984 37 K 4.5800 8.9077 125.0526 56.2986 32.8638 176.3287 38 V 4.6906 8.8006 120.3374 59.3046 35.7777 175.0670 39 K 3.3020 8.6341 125.9821 56.0457 32.4358 176.6134 40 M 3.9981 8.3797 126.0820 58.2655 32.9796 176.9710 41 T 4.5804 7.3352 114.0566 62.2765 68.4320 174.4557 42 T 4.5598 7.0937 116.0715 61.7653 73.1347 174.3518 43 H 4.2008 8.7935 122.0624 56.7805 29.2230 176.2148 44 L 4.0676 9.2969 123.7279 56.2315 41.3641 179.6739 45 K 4.0393 7.5996 120.8310 59.1771 32.2901 177.6315 46 K 4.0612 7.6919 121.0372 58.8315 32.1096 178.1304 47 L 3.6252 7.7667 119.9292 58.3200 41.8688 178.9077 48 K 2.9127 7.7954 118.4609 58.9998 31.8470 179.1994 49 E 4.0065 8.2418 117.9455 59.3482 29.6985 178.8638 50 S 4.2561 8.4705 114.7197 61.2059 62.3902 175.5507 51 Y 4.2031 8.3950 122.3745 61.2162 38.6727 177.8116 52 C 4.3249 8.4734 117.6025 63.0280 28.2714 176.3617 53 Q 3.9888 8.6030 120.0887 58.9124 28.1121 178.4510 54 R 3.8798 8.0476 118.8252 59.2619 30.1685 177.6342 55 Q 4.3465 7.7768 114.4576 54.8425 28.9934 176.1350 56 G 3.9539 7.6670 107.5398 46.2716 0.0000 174.0355 57 V 4.5188 7.3902 111.4753 58.2131 34.5018 174.2353 58 P 4.4551 0.0000 0.0000 62.6085 31.9198 176.1104 59 M 4.4546 8.2803 120.7461 56.6264 32.8677 176.3355 60 N 4.7346 9.0403 120.2028 53.2948 36.8946 175.5710 61 S 4.4630 7.9218 112.1644 59.2632 63.9276 173.7662 62 L 5.3295 7.8715 119.6485 52.6502 44.6615 176.0127 63 R 4.9403 9.1474 118.3997 54.4999 32.8396 174.5578 64 F 5.0975 8.9042 118.5728 55.7568 42.2976 174.0476 65 L 5.3407 9.5637 124.0662 52.9254 45.3466 175.2243 66 F 5.0756 8.8774 123.9800 57.0288 42.6325 174.7560 67 E 3.7571 9.2977 125.4607 57.4139 26.9408 175.2525 68 G 3.9565 8.4049 101.5244 46.1891 0.0000 173.8158 69 Q 4.5571 7.8859 117.5759 53.2766 32.4683 174.7221 70 R 4.6878 8.6000 119.4373 56.0676 30.0985 176.6557 71 I 4.0369 8.6843 124.0782 61.6569 37.8050 174.7889 72 A 4.8367 8.5874 124.5129 50.0267 22.3841 177.0934 73 D 4.2932 8.7096 118.6173 57.3992 41.1092 179.1584 74 N 4.4966 8.0185 115.3687 55.5212 38.0520 175.4041 75 H 4.5850 7.5805 115.2126 55.6876 27.9946 174.0433 76 T 4.8615 7.9827 115.1101 59.4322 70.9673 173.0136 77 P 4.2879 0.0000 0.0000 64.8532 31.3407 178.2879 78 K 3.7022 7.8208 119.5692 59.7984 32.2582 177.7044 79 E 4.2136 7.7032 113.7971 56.3372 30.8787 177.9270 80 L 3.7341 9.0833 115.8578 54.7348 40.4128 175.3402 81 G 3.9272 7.9576 105.6186 46.5729 0.0000 173.6673 82 M 3.9215 7.4713 118.2495 54.7768 32.3226 176.1114 83 E 4.6783 8.3091 122.9454 53.9283 32.6273 175.1894 84 E 3.9597 8.4145 119.6083 57.8043 30.0204 177.1808 85 E 3.8974 8.5649 122.4166 56.8797 28.5532 174.6983 86 D 4.6825 7.6805 119.2278 54.5405 42.1377 175.3587 87 V 4.8570 8.4830 120.8519 61.3511 33.7066 174.6054 88 I 4.8454 9.1227 127.1760 59.3009 41.1484 173.6812 89 E 4.8059 9.2368 129.4253 55.0181 31.0366 175.2896 90 V 4.3173 7.7247 124.4880 59.8821 33.5093 174.8470 91 Y 4.8486 8.7963 120.7157 55.9466 42.1794 175.0228 92 Q 4.5727 8.7849 120.6310 56.1786 29.9488 175.5582 93 E 4.3702 9.0350 122.3886 55.5322 30.9291 177.1508 94 Q 3.9420 9.1178 123.8084 59.4947 29.1127 178.2254 95 T 3.8409 8.0404 106.5647 63.5890 68.4289 174.9604 96 G 3.7685 8.3027 107.5423 44.8529 0.0000 173.6310 97 G 4.2741 8.3050 114.3285 45.8451 0.0000 174.0461 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 21 Y 8.14 4.84 0.00 2.89 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 22 I 8.33 4.43 1.85 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 1.11 0.31 0.93 0.00 0.00 23 K 9.78 4.83 0.00 1.93 2.04 0.00 1.41 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.47 7.81 24 L 9.10 5.11 0.00 1.62 1.49 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.98 4.97 0.00 1.75 1.77 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.32 7.81 26 V 9.23 4.71 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 0.57 0.00 0.00 0.94 0.00 0.00 27 I 8.19 5.58 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.27 0.96 0.00 0.00 28 G 8.10 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 29 Q 8.59 4.06 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 30 D 7.92 4.38 0.00 2.82 2.81 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 31 S 8.24 4.49 0.00 3.98 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 0.00 32 S 8.51 4.35 0.00 3.94 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 33 E 8.76 5.04 0.00 1.89 1.97 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 2.26 2.44 0.00 34 I 8.88 4.56 2.21 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 1.26 0.87 0.71 0.00 0.00 35 H 8.66 5.40 0.00 2.91 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.97 4.90 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.91 4.58 0.00 1.81 1.79 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.36 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.56 1.50 7.81 38 V 8.80 4.69 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 0.86 0.00 0.00 39 K 8.63 3.30 0.00 1.23 1.45 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.57 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.05 0.51 7.81 40 M 8.38 4.00 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 41 T 7.34 4.58 4.15 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 1.14 0.00 0.00 42 T 7.09 4.56 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 1.19 0.00 0.00 43 H 8.79 4.20 0.00 3.15 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.30 4.07 0.00 1.64 1.54 0.79 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.60 4.04 0.00 1.96 1.77 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.66 7.81 46 K 7.69 4.06 0.00 1.88 1.90 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.36 7.81 47 L 7.77 3.63 0.00 1.48 1.59 0.26 -0.01 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 48 K 7.80 2.91 0.00 1.63 1.35 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.63 7.81 49 E 8.24 4.01 0.00 2.20 2.18 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 2.48 2.31 0.00 50 S 8.47 4.26 0.00 3.97 4.23 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 0.00 0.00 0.00 0.00 51 Y 8.39 4.20 0.00 3.08 3.27 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 52 C 8.47 4.32 0.00 3.29 3.33 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 53 Q 8.60 3.99 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 54 R 8.05 3.88 0.00 1.95 1.89 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 55 Q 7.78 4.35 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 56 G 7.67 3.95 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 0.00 0.00 0.00 57 V 7.39 4.52 2.13 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 0.82 0.00 0.00 1.02 0.00 0.00 58 P 0.00 4.46 0.00 2.21 1.99 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 59 M 8.28 4.45 0.00 2.02 2.01 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 2.71 2.63 0.00 60 N 9.04 4.73 0.00 2.95 3.13 0.00 0.00 6.96 7.57 0.00 0.00 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 S 7.92 4.46 0.00 4.08 4.17 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 62 L 7.87 5.33 0.00 1.53 1.21 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 63 R 9.15 4.94 0.00 1.89 2.25 0.00 2.74 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 64 F 8.90 5.10 0.00 2.96 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 65 L 9.56 5.34 0.00 1.63 1.63 1.02 0.80 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 66 F 8.88 5.08 0.00 3.04 2.87 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 67 E 9.30 3.76 0.00 1.69 1.67 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 1.47 1.47 0.00 68 G 8.40 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 0.00 0.00 0.00 69 Q 7.89 4.56 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 70 R 8.60 4.69 0.00 1.98 2.01 0.00 3.08 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 71 I 8.68 4.04 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.87 0.00 0.00 72 A 8.59 4.84 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 73 D 8.71 4.29 0.00 2.77 2.68 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 74 N 8.02 4.50 0.00 2.84 2.94 0.00 0.00 6.03 7.90 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 75 H 7.58 4.58 0.00 3.42 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.98 4.86 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 1.16 0.00 0.00 77 P 0.00 4.29 0.00 2.10 1.93 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.94 0.00 78 K 7.82 3.70 0.00 1.76 1.76 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 79 E 7.70 4.21 0.00 2.19 2.11 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 2.53 2.34 0.00 80 L 9.08 3.73 0.00 1.74 1.92 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.47 3.92 0.00 1.79 1.76 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.09 0.00 83 E 8.31 4.68 0.00 2.14 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 2.41 0.00 84 E 8.41 3.96 0.00 2.05 1.83 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 2.39 2.41 0.00 85 E 8.56 3.90 0.00 2.14 2.07 0.00 0.00 0.00 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 2.42 0.00 86 D 7.68 4.68 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.48 4.86 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 0.80 0.00 0.00 0.98 0.00 0.00 88 I 9.12 4.85 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.77 0.95 0.00 0.00 89 E 9.24 4.81 0.00 1.95 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 90 V 7.72 4.32 1.09 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 0.33 0.00 0.00 -0.14 0.00 0.00 91 Y 8.80 4.85 0.00 2.84 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 92 Q 8.78 4.57 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 93 E 9.04 4.37 0.00 2.02 1.87 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 2.32 2.63 0.00 94 Q 9.12 3.94 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 95 T 8.04 3.84 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 96 G 8.30 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 0.00 0.00 0.00 97 G 8.31 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 0.00 0.00 0.00 0.00