NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2943 8.4449 118.7988 55.6059 30.7117 175.1863 4 I 3.6827 8.5009 124.4554 61.8018 37.7302 173.9581 5 K 4.5468 9.2847 126.5836 54.7167 35.8211 174.3289 6 H 4.7456 8.1031 120.6619 54.6265 32.4565 171.7378 7 Y 4.9257 8.0895 123.1725 56.1553 41.6953 174.6750 8 Q 4.8112 8.2009 122.4066 54.4797 32.3727 173.7875 9 F 5.1290 9.4201 125.3580 55.8635 42.5011 174.5342 10 N 5.2075 9.1798 121.9407 52.2419 39.3304 172.8749 11 V 4.7265 8.5535 125.4944 60.7069 34.0131 175.5434 12 V 3.9768 8.8338 128.6477 62.5826 31.2262 174.7737 13 M 4.7527 8.4707 127.0795 53.8888 34.7249 175.5421 14 T 4.2952 8.7734 119.9678 64.8105 70.2135 174.2168 15 C 4.8904 7.4926 114.1882 55.6150 32.5885 174.4904 16 S 4.4516 7.9196 115.3286 60.2978 62.3546 176.5731 17 G 3.5847 8.0117 109.8188 47.8104 0.0000 175.3841 18 C 4.1478 8.0210 119.2319 62.7305 27.7186 176.4544 19 S 4.2575 8.0924 115.4695 61.3485 62.6113 176.4118 20 G 3.6617 8.2236 109.1763 47.5109 0.0000 175.5283 21 A 3.9806 8.1413 123.0897 54.8034 18.3717 179.9453 22 V 3.4606 7.5946 116.3840 66.0048 31.6226 177.4644 23 N 4.2121 8.1633 116.8454 56.7328 38.2092 176.1945 24 K 3.7901 8.2581 121.0714 60.0806 32.0030 179.0618 25 V 3.7056 7.2989 110.8062 64.1714 31.6112 178.3700 26 L 4.1829 7.8242 118.6423 58.0353 41.3380 179.4847 27 T 3.9051 8.4359 116.0081 66.4260 68.0935 176.5200 28 K 4.1327 7.6779 118.2914 58.2434 32.3856 178.1378 29 L 4.5412 7.8455 118.4113 53.6039 42.0214 176.2008 30 E 4.5766 7.6313 119.2663 55.5789 29.8802 174.8660 31 P 4.8778 0.0000 0.0000 62.9154 31.9535 176.6026 32 D 4.3649 8.0180 121.4311 57.1462 40.7199 176.1500 33 V 4.4987 8.3874 120.8527 62.1367 31.4781 176.0008 34 S 4.6204 9.0262 123.1918 59.3401 64.4494 174.5797 35 K 4.6931 7.9901 121.3613 54.9542 35.5918 174.5929 36 I 5.0929 8.5171 127.1236 59.6171 40.4824 174.4955 37 D 4.7314 9.2920 125.7405 52.9127 44.1963 173.8840 38 I 5.0227 8.5358 126.2739 59.4553 40.7419 174.9621 39 S 4.5731 8.6858 120.9835 56.4463 64.4727 174.2225 40 L 3.9512 8.8573 129.5116 58.4196 42.2829 178.8369 41 E 3.9571 8.2391 116.1605 59.3818 29.4289 178.1924 42 K 4.1945 8.3849 115.3390 56.2611 32.5269 176.9594 43 Q 3.6658 8.0064 117.5505 56.8693 26.9621 172.6215 44 L 5.2611 7.5678 116.4456 53.1377 44.9809 175.8727 45 V 4.7942 8.8311 121.0559 61.3749 35.0442 173.7846 46 D 5.5107 9.3150 127.4861 52.5357 44.2569 175.2003 47 V 4.9911 8.8053 122.3899 61.3626 35.4559 173.5345 48 Y 4.9978 9.2056 125.3798 56.7660 40.1522 174.7001 49 T 5.8446 8.7850 117.8116 61.2346 71.3817 174.0110 50 T 4.2826 8.6246 113.4210 62.7203 69.5903 175.2204 51 L 4.3575 7.8317 122.4503 53.3323 42.7595 175.4362 52 P 4.5730 0.0000 0.0000 62.2949 33.1750 176.7290 53 Y 3.0625 8.6874 123.2223 61.0881 38.5576 178.7031 54 D 4.4632 8.3183 118.8502 57.4294 40.5074 178.4696 55 F 4.0323 8.2631 120.6574 61.0869 39.2751 176.8685 56 I 3.7260 7.4543 119.1104 63.2078 37.2512 177.7589 57 L 3.3797 7.8573 121.6714 58.0132 41.7763 178.7088 58 E 3.7504 7.6220 118.5094 59.2354 29.3466 178.6915 59 K 3.6119 6.9581 116.5246 59.6269 32.4460 178.9899 60 I 3.7519 7.1155 119.8264 64.0846 36.9803 178.6281 61 K 3.9500 7.7544 119.0493 59.0443 31.6323 179.2556 62 K 3.6998 8.0027 118.6475 59.2057 32.0434 178.4019 63 T 4.1495 7.4420 108.3292 62.2833 69.1624 175.8542 64 G 3.9005 8.5415 110.0821 45.0530 0.0000 173.5034 65 K 4.1843 7.3892 119.0202 55.2743 33.0452 176.4436 66 E 3.9660 8.6853 124.6095 56.5026 30.7823 175.5081 67 V 4.4216 8.2805 127.4510 61.8123 31.5766 175.5798 68 R 4.3027 8.9465 128.9092 59.1447 30.4381 177.3823 69 S 4.6969 7.8609 110.8745 57.5267 66.2402 173.4569 70 G 5.2108 8.6423 107.3750 43.2785 0.0000 170.7664 71 K 4.2296 7.5325 117.6981 56.8865 35.1344 175.0152 72 Q 4.5594 8.3484 119.6691 55.1704 29.4149 174.4397 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 3 E 8.44 4.29 0.00 2.07 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 0.00 2.18 2.41 0.00 4 I 8.50 3.68 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 1.01 0.00 0.00 5 K 9.28 4.55 0.00 1.48 1.03 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.48 7.81 6 H 8.10 4.75 0.00 2.97 2.95 0.00 5.81 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 7 Y 8.09 4.93 0.00 2.82 2.31 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 8 Q 8.20 4.81 0.00 1.89 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.53 0.00 9 F 9.42 5.13 0.00 2.94 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 10 N 9.18 5.21 0.00 2.87 2.76 0.00 0.00 6.65 7.35 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 11 V 8.55 4.73 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 0.81 0.00 0.00 0.95 0.00 0.00 12 V 8.83 3.98 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 0.80 0.00 0.00 1.00 0.00 0.00 13 M 8.47 4.75 0.00 2.00 1.93 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 2.66 2.50 0.00 14 T 8.77 4.30 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 15 C 7.49 4.89 0.00 3.06 3.03 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 16 S 7.92 4.45 0.00 4.07 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 17 G 8.01 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.15 0.00 3.11 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 19 S 8.09 4.26 0.00 4.05 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 0.00 20 G 8.22 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 21 A 8.14 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 3.46 2.19 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 0.94 0.00 0.00 0.91 0.00 0.00 23 N 8.16 4.21 0.00 3.01 3.00 0.00 0.00 6.88 6.33 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 24 K 8.26 3.79 0.00 2.03 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.51 7.81 25 V 7.30 3.71 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 0.80 0.00 0.00 0.95 0.00 0.00 26 L 7.82 4.18 0.00 1.83 1.76 0.95 1.01 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 27 T 8.44 3.91 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 28 K 7.68 4.13 0.00 1.95 1.90 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.66 7.81 29 L 7.85 4.54 0.00 1.88 1.80 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.63 4.58 0.00 2.05 1.91 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 2.62 2.34 0.00 31 P 0.00 4.88 0.00 2.18 2.14 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 32 D 8.02 4.36 0.00 2.92 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 33 V 8.39 4.50 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 1.13 0.00 0.00 1.05 0.00 0.00 34 S 9.03 4.62 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.69 0.00 1.66 1.52 0.00 1.16 0.00 0.00 0.74 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.41 7.81 36 I 8.52 5.09 1.93 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 1.32 0.88 1.03 0.00 0.00 37 D 9.29 4.73 0.00 2.95 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 38 I 8.54 5.02 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 0.94 0.00 0.00 39 S 8.69 4.57 0.00 3.90 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 40 L 8.86 3.95 0.00 1.73 1.66 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.24 3.96 0.00 1.99 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 2.32 2.40 0.00 42 K 8.38 4.19 0.00 1.73 1.87 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.42 7.81 43 Q 8.01 3.67 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 44 L 7.57 5.26 0.00 1.60 1.59 0.95 1.20 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 45 V 8.83 4.79 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 1.14 0.00 0.00 0.97 0.00 0.00 46 D 9.31 5.51 0.00 2.89 2.59 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 0.00 0.00 0.00 47 V 8.81 4.99 2.35 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 1.15 0.00 0.00 1.18 0.00 0.00 48 Y 9.21 5.00 0.00 2.97 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 49 T 8.79 5.84 4.40 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 1.58 0.00 0.00 50 T 8.62 4.28 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 1.23 0.00 0.00 51 L 7.83 4.36 0.00 1.81 1.53 0.86 0.74 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 52 P 0.00 4.57 0.00 2.27 2.06 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 53 Y 8.69 3.06 0.00 2.80 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 54 D 8.32 4.46 0.00 2.83 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 55 F 8.26 4.03 0.00 3.17 3.24 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 56 I 7.45 3.73 1.79 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.98 0.81 0.00 0.00 57 L 7.86 3.38 0.00 1.27 1.62 0.86 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 58 E 7.62 3.75 0.00 2.10 1.66 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 2.20 2.27 0.00 59 K 6.96 3.61 0.00 1.44 1.64 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.81 1.00 7.81 60 I 7.12 3.75 1.59 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 0.63 0.00 0.00 61 K 7.75 3.95 0.00 1.73 1.78 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.59 7.81 62 K 8.00 3.70 0.00 1.85 1.81 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.37 7.81 63 T 7.44 4.15 4.19 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 1.15 0.00 0.00 64 G 8.54 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.39 4.18 0.00 1.72 1.72 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.49 7.81 66 E 8.69 3.97 0.00 2.04 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 2.38 2.31 0.00 67 V 8.28 4.42 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 0.95 0.00 0.00 0.82 0.00 0.00 68 R 8.95 4.30 0.00 1.97 2.00 0.00 3.28 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 69 S 7.86 4.70 0.00 3.88 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 70 G 8.64 5.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.53 4.23 0.00 1.75 1.86 0.00 1.41 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.17 1.16 7.81 72 Q 8.35 4.56 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00