NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.6740 8.1593 117.3293 63.5843 70.0419 172.7588 6 I 4.3861 8.5822 119.1436 58.3639 40.7970 172.5340 7 R 5.1133 9.2404 124.7930 54.9767 32.4430 176.4522 8 V 4.7113 8.6220 118.7104 59.4849 36.3549 174.5218 9 I 4.8243 8.5924 122.3144 59.7481 40.0370 175.0658 10 V 4.5777 8.7101 128.5947 61.4109 33.1350 175.0742 11 S 4.7375 8.8621 125.3231 58.4634 63.8065 173.8665 12 V 4.6755 8.3445 117.1740 59.4597 35.5209 175.2980 13 D 4.5628 9.3017 124.0706 52.9020 40.9833 176.8680 14 K 3.8678 8.8628 126.6070 59.2340 32.2128 177.6113 15 A 4.8453 7.6240 118.8616 51.6133 19.3377 177.6077 16 K 4.6388 8.5130 118.0350 57.5359 36.8428 176.5086 17 F 4.9001 8.1545 119.9272 55.4563 40.9542 174.2746 18 N 4.5767 7.2786 125.3489 50.3815 40.1064 172.6290 19 P 4.1754 0.0000 0.0000 66.3817 30.7569 177.8757 20 H 4.2952 8.0216 114.9260 57.9215 28.8129 176.2609 21 E 4.2666 8.1447 119.4510 56.7955 29.5052 178.4076 22 V 3.7584 7.3687 112.5189 63.5512 31.5334 177.7251 23 L 4.3606 6.9656 122.1247 57.4856 41.5412 178.8987 24 G 4.0080 7.5095 104.5406 47.0667 0.0000 174.0226 25 I 4.2977 7.7307 110.8285 60.3664 37.8655 176.1626 26 G 3.9068 8.7147 109.0165 45.4155 0.0000 174.0556 27 G 4.2112 8.1799 107.8309 45.5096 0.0000 172.6613 28 H 5.2971 8.6843 114.6736 53.8188 32.5210 172.5498 29 I 4.2584 8.3847 120.2915 61.4767 37.4350 175.5686 30 V 4.2247 9.0155 126.4669 64.5233 33.1207 175.6367 31 Y 4.5746 7.5880 119.5908 56.6364 42.2037 172.7645 32 Q 4.7462 7.9211 125.8356 54.1340 30.1454 175.6306 33 F 4.4422 8.7409 123.6935 57.6909 39.1714 175.9379 34 K 4.2469 8.9964 120.9268 57.9110 32.6429 177.7903 35 L 4.6070 8.0604 116.1359 54.5025 42.7477 176.2219 36 I 4.6718 7.4067 111.1923 58.3093 40.6936 174.0564 37 P 4.7375 0.0000 0.0000 61.5837 30.0939 174.2816 38 A 5.2244 7.8501 128.1672 51.4380 23.6603 175.4218 39 V 4.9033 8.8548 118.9063 60.0839 35.2420 174.5368 40 V 4.4152 9.0673 125.9585 62.7494 32.5991 175.1399 41 V 4.9337 8.8421 120.7121 59.7119 35.9969 174.1252 42 D 5.4827 8.7563 123.9728 52.8717 43.0161 175.9904 43 V 4.7177 8.6627 121.5067 59.2632 35.4049 172.1816 44 P 4.4073 0.0000 0.0000 63.0696 31.7635 177.0418 45 A 4.0025 8.9458 126.3277 55.1921 18.3786 178.1269 46 N 4.6339 8.0872 109.7261 53.4566 38.0600 175.9473 47 A 4.3561 8.0367 121.1470 52.9772 18.9315 179.2782 48 V 3.6063 7.8455 117.5942 65.8830 31.3801 178.0194 49 G 3.6421 8.0445 103.8804 47.6540 0.0000 175.3817 50 K 4.1298 7.9911 120.4796 59.1535 32.0896 178.6817 51 L 3.9377 8.5637 121.0254 58.5419 41.6932 179.2086 52 K 3.9266 8.2587 117.0409 58.6310 32.0296 178.0359 53 K 4.3569 7.8859 117.4533 55.4968 33.0356 176.0593 54 M 4.0304 7.2821 119.1603 55.3965 32.9684 174.1504 55 P 4.3486 0.0000 0.0000 63.9803 32.3267 177.5828 56 G 4.1265 8.9725 109.0799 45.5888 0.0000 173.1768 57 V 3.8153 7.3427 119.0214 63.1306 31.4507 174.9134 58 E 4.4593 9.0531 127.9944 57.8478 30.8737 176.9314 59 K 4.5544 7.6675 118.8926 54.8919 36.0724 174.7817 60 V 4.4168 8.3481 126.5712 61.2338 33.0820 174.4239 61 E 4.7499 8.6877 126.8964 54.6050 33.0157 175.3165 62 F 4.8239 8.7053 120.0644 56.0594 41.2829 175.0352 63 D 4.7371 8.0565 120.3342 54.2530 41.9683 175.2243 64 H 5.0616 8.5908 119.5089 54.1924 32.8819 172.6646 65 Q 4.6151 8.5515 119.1421 54.2734 30.6075 175.1612 66 A 4.7524 8.2641 123.6905 50.5096 21.2776 177.3395 67 V 3.8901 8.2578 113.6193 61.6404 31.7798 176.3171 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 5 T 8.16 4.67 4.26 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 1.27 0.00 0.00 6 I 8.58 4.39 1.96 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.12 0.96 0.00 0.00 7 R 9.24 5.11 0.00 2.03 1.83 0.00 3.12 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 8 V 8.62 4.71 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 0.30 0.00 0.00 0.80 0.00 0.00 9 I 8.59 4.82 1.86 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 1.21 0.98 1.00 0.00 0.00 10 V 8.71 4.58 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 0.85 0.00 0.00 0.86 0.00 0.00 11 S 8.86 4.74 0.00 3.73 3.69 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 12 V 8.34 4.68 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.78 0.00 0.00 13 D 9.30 4.56 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 3.87 0.00 1.81 1.94 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.50 7.81 15 A 7.62 4.85 1.29 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 0.00 0.00 0.00 0.00 0.00 16 K 8.51 4.64 0.00 1.75 1.90 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.40 7.81 17 F 8.15 4.90 0.00 3.01 3.06 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 18 N 7.28 4.58 0.00 2.57 2.38 0.00 0.00 6.93 7.71 0.00 0.00 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 P 0.00 4.18 0.00 2.18 2.40 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 20 H 8.02 4.30 0.00 3.11 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.14 4.27 0.00 1.87 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 0.00 2.33 2.39 0.00 22 V 7.37 3.76 2.12 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 0.85 0.00 0.00 0.99 0.00 0.00 23 L 6.97 4.36 0.00 1.59 1.68 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.51 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.73 4.30 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.76 0.92 0.00 0.00 26 G 8.71 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 27 G 8.18 4.21 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 28 H 8.68 5.30 0.00 3.16 3.36 0.00 5.26 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 29 I 8.38 4.26 1.88 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.92 0.00 0.00 30 V 9.02 4.22 2.25 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 0.75 0.00 0.00 1.00 0.00 0.00 31 Y 7.59 4.57 0.00 2.92 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.92 4.75 0.00 1.73 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 33 F 8.74 4.44 0.00 3.23 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 34 K 9.00 4.25 0.00 1.82 1.89 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.48 7.81 35 L 8.06 4.61 0.00 1.68 1.73 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.41 4.67 1.71 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.35 0.80 0.00 0.00 37 P 0.00 4.74 0.00 2.28 2.23 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 38 A 7.85 5.22 1.16 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 0.00 0.00 0.00 39 V 8.85 4.90 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 0.70 0.00 0.00 1.07 0.00 0.00 40 V 9.07 4.42 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 0.94 0.00 0.00 0.94 0.00 0.00 41 V 8.84 4.93 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 0.78 0.00 0.00 0.92 0.00 0.00 42 D 8.76 5.48 0.00 2.24 2.47 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 0.00 43 V 8.66 4.72 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 0.67 0.00 0.00 0.94 0.00 0.00 44 P 0.00 4.41 0.00 2.11 2.07 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 45 A 8.95 4.00 1.31 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 0.00 0.00 46 N 8.09 4.63 0.00 2.86 2.95 0.00 0.00 5.95 7.26 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 47 A 8.04 4.36 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.85 3.61 2.22 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 1.23 0.00 0.00 1.16 0.00 0.00 49 G 8.04 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.13 0.00 1.97 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 51 L 8.56 3.94 0.00 1.87 1.83 0.89 0.75 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 52 K 8.26 3.93 0.00 1.98 1.90 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.67 7.81 53 K 7.89 4.36 0.00 1.74 1.82 0.00 1.85 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 1.38 1.46 7.81 54 M 7.28 4.03 0.00 2.18 2.30 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 2.67 2.54 0.00 55 P 0.00 4.35 0.00 2.38 2.19 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 56 G 8.97 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 0.00 0.00 0.00 57 V 7.34 3.82 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 0.81 0.00 0.00 1.15 0.00 0.00 58 E 9.05 4.46 0.00 1.88 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 2.41 2.35 0.00 59 K 7.67 4.55 0.00 1.74 1.52 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.42 7.81 60 V 8.35 4.42 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 0.45 0.00 0.00 0.86 0.00 0.00 61 E 8.69 4.75 0.00 2.00 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 2.23 2.20 0.00 62 F 8.71 4.82 0.00 2.87 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 63 D 8.06 4.74 0.00 2.97 2.57 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 0.00 0.00 0.00 0.00 64 H 8.59 5.06 0.00 3.16 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.55 4.62 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 66 A 8.26 4.75 1.23 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 0.00 0.00 67 V 8.26 3.89 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 0.70 0.00 0.00 0.93 0.00 0.00