NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4946 0.0000 0.0000 62.4101 33.7628 174.8047 2 I 4.8159 8.1959 121.3221 59.1635 40.2443 173.2201 3 A 4.7998 9.3289 129.7910 49.9699 22.2763 174.2789 4 Q 4.9664 8.6949 122.5791 54.2609 31.7632 174.4466 5 I 4.4565 9.0413 127.5134 59.8563 39.9722 174.1890 6 H 5.3069 8.8428 124.9583 54.4088 29.7259 174.6095 7 I 4.6175 8.3493 116.7216 58.5059 41.1118 175.0199 8 L 4.6203 8.3848 123.8640 54.5096 42.4821 176.9289 9 E 4.0625 9.0656 121.3765 57.1746 30.3586 176.6562 10 G 3.6573 8.8280 109.5180 45.6988 0.0000 174.7353 11 R 4.3526 7.6539 119.4383 55.4211 31.2325 176.9409 12 S 4.4428 8.5041 115.7988 58.0755 65.2292 175.2419 13 D 4.3617 8.5509 122.2935 57.4508 40.5286 178.7272 14 E 3.9112 8.0861 119.3527 59.4262 29.6638 178.7716 15 Q 4.0060 8.0086 117.9321 58.9873 28.7926 178.9694 16 K 4.0040 8.1299 119.5114 59.2929 32.0836 179.3568 17 E 3.9884 8.2961 119.2122 59.5759 29.3545 179.5268 18 T 3.8309 7.9403 115.7882 66.4194 68.4775 176.2552 19 L 3.9069 8.1366 122.6388 58.5438 42.1362 179.1306 20 I 3.6644 7.7545 119.3767 64.2928 36.9860 178.4671 21 R 3.8375 7.8355 119.2286 59.5305 29.9867 178.2495 22 E 3.9480 8.5553 118.7634 59.5988 29.5267 179.7231 23 V 3.5811 8.0544 118.2739 66.0394 31.5514 178.2779 24 S 4.1460 7.9672 114.5026 61.5603 62.5962 176.5602 25 E 3.9390 8.2714 121.0848 59.3573 29.2446 179.1584 26 A 4.0151 8.1906 120.9302 55.2446 18.4106 179.8662 27 I 3.6796 7.8632 118.2296 64.4575 37.2605 178.5676 28 S 4.1199 8.1504 114.0240 61.4610 62.4116 176.2400 29 R 3.9113 8.3761 121.8012 59.5146 29.6051 178.6053 30 S 4.2561 8.0944 114.0612 60.7978 62.9469 175.6896 31 L 4.4987 7.6501 117.9418 53.1892 42.7377 175.8111 32 D 4.3685 7.7140 116.4236 55.6208 38.7544 173.3624 33 A 4.8009 7.7277 119.9060 49.2742 21.8189 175.5732 34 P 4.3190 0.0000 0.0000 62.4139 32.2668 177.4358 35 L 3.9257 8.7767 124.8169 58.4355 42.0729 178.9723 36 T 4.0406 7.8413 107.0138 63.6197 68.7998 174.8618 37 S 4.3528 8.0059 116.1155 58.9704 63.7135 174.0044 38 V 4.2277 7.5213 122.6797 62.2949 32.0945 175.2536 39 R 4.7182 8.7481 126.7918 54.2964 33.2223 174.7575 40 V 4.8714 8.4698 122.8752 61.0625 34.5024 174.4275 41 I 4.5557 8.9647 128.0986 59.5643 40.1625 174.2860 42 I 4.7289 8.3918 127.5314 59.8915 39.2343 175.1182 43 T 4.5193 8.9554 123.5767 61.7521 71.2199 173.1606 44 E 4.9406 8.8344 126.2145 55.9139 31.0715 175.7501 45 M 4.8349 8.8468 122.6809 53.2051 35.1456 175.7069 46 A 4.7147 8.4511 125.0887 51.2070 19.3296 178.5905 47 K 4.1350 8.5028 120.8333 59.3477 32.2334 178.3833 48 G 3.9650 7.9861 105.0068 45.9884 0.0000 173.4768 49 H 4.9281 8.6055 115.7232 55.0689 29.7157 173.5817 50 F 5.0978 8.2393 122.7687 56.2611 41.3245 173.8075 51 G 4.2047 8.3702 116.3376 43.5686 0.0000 172.2753 52 I 4.1329 8.1396 122.3779 60.0826 39.9186 176.0254 53 G 3.7978 9.5140 113.6941 46.4524 0.0000 174.2137 54 G 3.9137 8.4765 106.5585 44.8699 0.0000 173.7870 55 E 4.7038 7.5501 118.6550 53.7314 32.4054 175.5409 56 L 4.3251 8.2506 121.4646 54.6764 42.5861 178.1330 57 A 3.8997 9.0368 127.5438 55.2563 18.6011 179.6183 58 S 4.2068 8.2713 109.4347 60.7671 62.7302 175.3462 59 K 4.6292 7.8094 119.1978 55.6122 32.8679 176.2062 60 V 3.9533 7.7089 124.8868 64.4368 31.6741 173.7116 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 P 0.00 4.49 0.00 2.09 2.03 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.20 4.82 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 1.27 0.71 0.90 0.00 0.00 3 A 9.33 4.80 1.19 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 0.00 0.00 4 Q 8.69 4.97 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.65 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 5 I 9.04 4.46 1.83 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 1.21 0.48 0.88 0.00 0.00 6 H 8.84 5.31 0.00 2.90 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.35 4.62 1.82 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 1.17 1.27 0.86 0.00 0.00 8 L 8.38 4.62 0.00 1.53 1.65 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.07 4.06 0.00 2.02 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 0.00 2.37 2.27 0.00 10 G 8.83 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 11 R 7.65 4.35 0.00 1.78 1.86 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 12 S 8.50 4.44 0.00 4.08 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 0.00 13 D 8.55 4.36 0.00 2.78 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 14 E 8.09 3.91 0.00 2.03 1.94 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 2.37 2.40 0.00 15 Q 8.01 4.01 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 16 K 8.13 4.00 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 E 8.30 3.99 0.00 2.23 1.99 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 2.32 2.34 0.00 18 T 7.94 3.83 4.39 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 1.21 0.00 0.00 19 L 8.14 3.91 0.00 1.79 1.87 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.75 3.66 2.01 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 1.39 0.86 0.90 0.00 0.00 21 R 7.84 3.84 0.00 1.91 2.04 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.56 3.95 0.00 1.97 1.99 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 2.46 2.47 0.00 23 V 8.05 3.58 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 1.02 0.00 0.00 0.94 0.00 0.00 24 S 7.97 4.15 0.00 4.11 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 25 E 8.27 3.94 0.00 2.17 1.99 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 2.33 2.32 0.00 26 A 8.19 4.02 1.38 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 27 I 7.86 3.68 2.00 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 0.98 0.91 0.00 0.00 28 S 8.15 4.12 0.00 3.89 4.05 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 0.00 0.00 0.00 29 R 8.38 3.91 0.00 1.89 2.05 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 8.09 4.26 0.00 4.15 3.91 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 31 L 7.65 4.50 0.00 1.62 1.67 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.71 4.37 0.00 2.90 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 33 A 7.73 4.80 1.21 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 34 P 0.00 4.32 0.00 2.19 1.99 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 35 L 8.78 3.93 0.00 1.71 1.67 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.84 4.04 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 37 S 8.01 4.35 0.00 3.98 4.02 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 38 V 7.52 4.23 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 0.76 0.00 0.00 1.02 0.00 0.00 39 R 8.75 4.72 0.00 1.78 1.76 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 V 8.47 4.87 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.96 4.56 1.84 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 1.21 0.71 0.87 0.00 0.00 42 I 8.39 4.73 1.84 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 1.31 0.53 0.87 0.00 0.00 43 T 8.96 4.52 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 1.19 0.00 0.00 44 E 8.83 4.94 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 45 M 8.85 4.83 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 46 A 8.45 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.50 4.14 0.00 1.76 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.44 7.81 48 G 7.99 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 49 H 8.61 4.93 0.00 3.27 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.24 5.10 0.00 3.00 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 51 G 8.37 4.20 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 0.00 0.00 0.00 52 I 8.14 4.13 1.68 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 0.79 0.42 0.83 0.00 0.00 53 G 9.51 3.80 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 0.00 0.00 0.00 54 G 8.48 3.91 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 0.00 0.00 0.00 55 E 7.55 4.70 0.00 2.10 1.78 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 2.18 2.35 0.00 56 L 8.25 4.33 0.00 1.69 1.59 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 A 9.04 3.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 4.21 0.00 4.00 4.07 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 0.00 0.00 0.00 59 K 7.81 4.63 0.00 1.86 1.90 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.32 7.81 60 V 7.71 3.95 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 0.67 0.00 0.00 0.90 0.00 0.00