NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4609 8.1633 118.3285 55.2041 33.3830 173.8795 2 Q 4.4935 8.4784 122.1420 53.1454 30.1219 173.3602 3 I 4.5197 9.1438 119.5656 59.3261 41.2571 174.1138 4 F 5.1584 8.8238 122.3359 55.9616 41.3569 174.9717 5 V 4.6285 9.2221 124.1006 61.1858 33.5340 174.3992 6 K 4.9233 8.9469 128.6958 55.8643 33.8543 177.1315 7 T 5.2614 8.2463 114.2960 59.8194 71.0940 174.4082 8 L 4.7360 8.3262 121.2248 55.6653 42.0705 176.7586 9 T 4.6189 7.4234 106.0079 61.2288 69.4069 173.3710 10 G 3.9307 8.4547 107.4887 47.5770 0.0000 173.9462 11 K 4.7377 7.5073 118.7990 54.4637 35.7081 174.8595 12 T 5.2307 8.5516 121.5648 61.8853 72.2645 173.2065 13 I 4.7090 8.7541 125.1535 59.8658 40.9977 174.4221 14 T 4.7355 8.5143 121.8721 61.8220 70.6111 173.9589 15 L 4.5909 8.4594 125.4166 52.6611 45.6761 175.4107 16 E 4.4080 8.9438 125.2893 56.5658 29.5593 175.3834 17 V 4.6195 8.6412 123.0331 59.8307 35.0418 174.7171 18 E 4.7830 9.1863 118.8751 54.6231 33.7208 174.6322 19 P 4.4475 0.0000 0.0000 64.5141 31.5878 177.5660 20 S 4.6596 7.8570 113.0778 58.1467 63.5319 173.3032 21 D 4.7973 7.6361 121.2501 53.7890 42.1770 176.3811 22 T 4.6498 8.0922 112.3724 61.0527 70.1934 175.7879 23 I 3.7112 8.5854 124.7132 64.6581 37.1302 178.4978 24 E 3.9257 7.9446 119.1660 59.2958 29.4281 178.7075 25 N 4.3793 8.0959 116.7693 56.0331 38.5716 177.6374 26 V 3.5550 7.5914 119.2502 66.0074 31.7747 178.0657 27 K 4.0675 8.3282 118.1874 59.4444 31.9341 179.2055 28 A 4.0228 7.9932 120.9414 54.8995 18.3752 179.8256 29 K 3.9172 7.9179 116.9990 59.8349 32.1117 179.7291 30 I 3.7835 7.8173 119.9548 64.2249 36.9428 178.2982 31 Q 4.6066 7.9813 121.9459 58.6213 28.6059 177.6579 32 D 4.4800 7.7225 118.6296 56.2607 41.0598 178.4820 33 K 4.1790 7.5727 118.0586 59.2644 32.5224 178.7795 34 E 4.2103 8.2574 118.1566 57.4143 29.5597 178.1272 35 G 4.4313 8.3662 105.4271 46.5435 0.0000 172.6510 36 I 4.5137 7.5256 119.2677 57.9644 39.4225 173.7920 37 P 4.6320 0.0000 0.0000 62.0216 32.1591 175.7624 38 P 4.2825 0.0000 0.0000 65.8884 31.6528 178.3245 39 D 4.4180 8.1587 117.6835 56.7156 41.0517 176.6921 40 Q 4.6406 7.8134 117.3603 55.7737 29.1361 174.5526 41 Q 5.1339 8.0257 116.0623 54.1881 32.4312 175.5622 42 R 4.5150 8.8194 121.0957 54.4419 33.8378 174.3939 43 L 4.7399 8.4881 125.0288 53.8812 43.2679 175.9693 44 I 5.0274 8.8149 124.8742 59.4549 41.0177 174.5124 45 F 4.8059 9.0645 127.5729 57.0278 43.2882 174.0430 46 A 3.6466 8.6925 126.2872 53.1097 16.1668 176.7595 47 G 3.8734 8.4230 102.9669 47.4347 0.0000 175.2964 48 K 4.5227 7.8259 118.0285 54.6465 36.4217 175.9872 49 Q 4.4942 8.6335 123.6019 55.8712 29.3923 175.6639 50 L 3.8666 8.4111 124.1248 53.5718 42.6909 176.6401 51 E 4.3921 8.8432 122.1432 55.9891 30.2695 177.8219 52 D 4.1532 8.8508 121.3426 56.9306 41.3571 179.1368 53 G 3.6999 8.0159 107.1628 47.6975 0.0000 174.3401 54 R 4.2199 7.6168 118.8033 56.1326 30.9119 175.6295 55 T 5.7319 7.7658 108.8786 59.6069 71.3709 173.7787 56 L 4.2646 8.3476 119.5504 57.6666 42.2721 179.4850 57 S 4.1452 8.0840 113.4526 60.9735 63.2811 176.1850 58 D 4.1880 7.5165 119.9732 56.6200 40.5249 176.6620 59 Y 4.4690 7.7298 114.9893 57.1920 38.7815 175.3171 60 N 4.0736 7.8424 116.0887 54.6811 37.3197 173.1690 61 I 4.2965 7.6579 118.5051 59.3407 40.2267 175.6520 62 Q 4.8398 8.2708 124.1228 53.5289 31.9808 175.3625 63 K 4.0882 8.3918 116.6407 58.3141 33.0485 176.2400 64 E 4.2233 8.7458 117.4936 57.5573 28.0025 174.8985 65 S 4.6425 7.6503 113.6681 58.7711 64.0426 173.7013 66 T 5.1047 8.7649 121.1250 63.0209 69.6245 174.0020 67 L 5.1057 8.8961 124.0739 53.4515 46.7361 175.4913 68 H 5.1049 9.1273 118.1604 54.2427 29.8391 173.1461 69 L 4.8478 8.7928 126.6275 54.1235 43.7344 175.5799 70 V 4.5083 8.6768 124.3887 61.0885 35.7470 173.6781 71 L 5.6973 8.3754 123.1180 52.3115 43.2864 176.0698 72 R 4.5918 8.4970 124.1904 54.9262 31.9854 174.8759 73 L 4.8849 8.3153 123.3144 52.9799 45.3150 175.0188 74 R 4.7894 8.1710 117.2967 55.2206 33.8266 177.0846 75 G 4.2388 7.8428 106.1143 42.2986 0.0000 173.5537 76 G 3.4235 8.2553 112.2127 45.6967 0.0000 170.6608 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 8.16 4.46 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.71 0.00 2 Q 8.48 4.49 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 3 I 9.14 4.52 1.97 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 1.28 0.57 0.92 0.00 0.00 4 F 8.82 5.16 0.00 3.08 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 5 V 9.22 4.63 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 1.08 0.00 0.00 0.95 0.00 0.00 6 K 8.95 4.92 0.00 1.80 1.65 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.37 7.81 7 T 8.25 5.26 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 8 L 8.33 4.74 0.00 1.65 1.72 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.42 4.62 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 10 G 8.45 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 11 K 7.51 4.74 0.00 1.88 1.61 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 12 T 8.55 5.23 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 1.37 0.00 0.00 13 I 8.75 4.71 1.89 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 1.25 1.04 0.91 0.00 0.00 14 T 8.51 4.74 4.16 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 0.00 0.00 0.00 0.63 0.00 0.00 15 L 8.46 4.59 0.00 1.45 1.46 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.94 4.41 0.00 1.93 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 2.25 2.30 0.00 17 V 8.64 4.62 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 0.75 0.00 0.00 0.96 0.00 0.00 18 E 9.19 4.78 0.00 2.01 1.76 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 2.19 2.35 0.00 19 P 0.00 4.45 0.00 2.19 2.27 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 20 S 7.86 4.66 0.00 3.96 3.94 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 21 D 7.64 4.80 0.00 2.85 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.09 4.65 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 23 I 8.59 3.71 2.03 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 1.73 1.02 0.89 0.00 0.00 24 E 7.94 3.93 0.00 2.18 1.95 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 2.31 2.36 0.00 25 N 8.10 4.38 0.00 3.00 2.84 0.00 0.00 6.58 7.72 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 26 V 7.59 3.55 2.24 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 1.06 0.00 0.00 1.00 0.00 0.00 27 K 8.33 4.07 0.00 1.99 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.69 7.81 28 A 7.99 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.92 0.00 2.05 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.70 7.81 30 I 7.82 3.78 2.14 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 1.40 0.77 0.91 0.00 0.00 31 Q 7.98 4.61 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 32 D 7.72 4.48 0.00 2.88 2.70 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 33 K 7.57 4.18 0.00 1.75 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.69 7.81 34 E 8.26 4.21 0.00 2.10 2.01 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 2.35 2.47 0.00 35 G 8.37 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.53 4.51 1.87 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 1.47 1.09 0.91 0.00 0.00 37 P 0.00 4.63 0.00 2.21 2.18 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 38 P 0.00 4.28 0.00 2.24 2.34 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 39 D 8.16 4.42 0.00 2.67 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.81 4.64 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 41 Q 8.03 5.13 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.17 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 42 R 8.82 4.51 0.00 1.72 1.80 0.00 3.11 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.49 4.74 0.00 1.56 1.56 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.81 5.03 2.02 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 1.10 0.58 0.88 0.00 0.00 45 F 9.06 4.81 0.00 3.06 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 46 A 8.69 3.65 1.56 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 47 G 8.42 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 48 K 7.83 4.52 0.00 2.10 1.76 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.74 7.81 49 Q 8.63 4.49 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 L 8.41 3.87 0.00 1.28 1.11 0.72 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.84 4.39 0.00 2.17 1.93 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 2.39 2.39 0.00 52 D 8.85 4.15 0.00 2.80 2.72 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 53 G 8.02 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 54 R 7.62 4.22 0.00 2.25 2.02 0.00 3.12 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 55 T 7.77 5.73 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 1.21 0.00 0.00 56 L 8.35 4.26 0.00 1.72 1.71 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.08 4.15 0.00 4.00 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 58 D 7.52 4.19 0.00 2.64 2.26 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 0.00 59 Y 7.73 4.47 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.84 4.07 0.00 2.79 2.81 0.00 0.00 6.85 7.49 0.00 0.00 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 I 7.66 4.30 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.62 0.76 0.00 0.00 62 Q 8.27 4.84 0.00 2.03 2.04 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 2.27 2.25 0.00 63 K 8.39 4.09 0.00 1.95 1.95 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.50 7.81 64 E 8.75 4.22 0.00 2.24 2.29 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 2.60 2.38 0.00 65 S 7.65 4.64 0.00 4.01 3.89 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 66 T 8.76 5.10 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 67 L 8.90 5.11 0.00 1.65 1.61 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.13 5.10 0.00 3.31 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.79 4.85 0.00 1.78 1.53 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.68 4.51 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.38 5.70 0.00 1.54 1.56 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.50 4.59 0.00 1.81 1.81 0.00 3.34 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 73 L 8.32 4.88 0.00 1.62 1.55 0.92 0.84 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 74 R 8.17 4.79 0.00 1.74 1.80 0.00 3.23 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 75 G 7.84 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 0.00 0.00 0.00 0.00 76 G 8.26 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00