NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9688 8.3549 109.7358 45.1165 0.0000 176.6174 2 S 4.5025 8.7882 111.1966 56.5917 65.6206 171.5113 3 P 4.3037 0.0000 0.0000 62.9336 32.8415 175.9230 4 T 4.7245 7.9687 113.4946 60.0859 71.9224 172.2570 5 F 4.0301 8.6823 123.1419 59.2562 41.0085 175.0521 6 K 3.5901 8.7323 120.7527 56.5233 31.4264 174.1808 7 C 4.4093 8.2629 119.0024 58.9435 31.9701 172.1806 8 A 5.4768 8.3176 127.3915 49.8542 22.1148 174.2928 9 V 4.3997 7.7020 109.7373 60.7404 36.4315 174.9285 10 K 4.7156 8.1871 120.5089 54.6278 33.1399 174.0341 11 A 3.7280 8.3443 125.3288 50.9214 18.4598 178.0757 12 L 4.0228 7.8001 122.1888 57.0277 42.1587 176.6884 13 F 5.5787 7.5327 116.9544 55.6410 42.8210 173.5734 14 D 5.2076 9.0426 117.9139 52.5062 41.6111 174.6596 15 Y 4.1687 8.4373 121.1963 55.0416 42.0693 175.5559 16 K 4.9371 7.2098 119.0189 55.2651 32.4835 174.6668 17 A 4.5497 8.2571 123.9014 53.1365 21.2066 178.1583 18 Q 4.1961 8.9753 118.3376 57.1651 29.2374 173.3111 19 R 4.7436 7.4181 110.8770 55.4826 31.6164 174.2208 20 E 4.7320 9.5798 125.2560 54.7042 29.9896 175.6460 21 D 4.6125 8.2841 111.7589 55.9110 38.8946 173.8954 22 E 5.8555 7.2340 117.3685 56.2733 32.2910 174.8580 23 L 5.2758 7.6361 122.2909 53.3907 45.8508 176.2007 24 T 4.7654 8.4046 112.1877 61.9505 67.5088 174.0802 25 F 4.5300 7.5698 114.6102 56.9964 38.0678 174.8413 26 I 4.7802 8.2073 115.9362 58.5001 39.8811 174.4804 27 K 4.5392 8.2890 121.2034 57.5027 32.1408 176.2609 28 S 4.4943 9.1695 120.4728 57.5486 62.7470 169.3468 29 A 4.2022 8.0953 122.0880 52.9433 19.3081 176.7392 30 I 4.6452 8.3835 121.6631 58.8174 39.1122 175.3311 31 I 4.4119 7.8368 127.9736 60.5839 39.1502 175.1717 32 Q 4.7816 8.2525 121.9534 54.6869 32.8732 173.5320 33 N 3.9163 8.4953 119.1206 53.7317 36.0699 173.5914 34 V 5.2612 7.4644 120.1695 59.7902 35.5427 174.4148 35 E 4.5215 8.3201 119.7386 55.1431 31.7047 175.8505 36 K 3.6423 7.8216 126.9847 57.0171 33.2761 175.8716 37 Q 4.4961 9.7893 121.5010 55.7859 32.8934 173.8532 38 E 3.7803 9.6889 121.7215 55.9783 29.2631 172.2437 39 G 4.0921 7.3224 111.3967 44.6115 0.0000 176.2052 40 G 4.7122 9.4653 110.3851 44.2921 0.0000 173.8121 41 W 4.9524 7.8432 118.0989 54.6039 33.4038 176.8565 42 W 5.0438 9.8584 124.7755 55.4203 31.9321 174.9893 43 R 3.8797 8.4379 119.1050 53.7362 33.9847 173.2661 44 G 4.7529 8.7650 103.4473 43.9869 0.0000 173.4815 45 D 4.6839 8.5734 122.7532 53.8888 40.3394 175.5327 46 Y 4.4096 7.5427 116.1559 54.9289 40.0029 173.6343 47 G 3.6492 6.9965 109.0015 44.9054 0.0000 175.3475 48 G 3.3015 8.3272 111.0645 47.4143 0.0000 173.4049 49 K 4.3255 7.1338 119.1529 55.4145 33.6304 176.6200 50 K 4.2385 8.0288 120.4919 56.5121 32.6469 172.5327 51 Q 3.7569 8.4991 125.8572 56.3317 26.0946 174.0421 52 L 4.5095 7.5795 121.6893 53.9088 43.4786 179.5275 53 W 4.8714 8.8995 126.2012 56.4357 33.9004 172.5073 54 F 5.4608 8.8212 121.7484 55.2955 43.1589 172.6188 55 P 2.9700 0.0000 0.0000 62.5356 32.6963 176.5441 56 S 3.8559 7.9469 116.0443 58.4124 63.8170 174.9761 57 N 4.8899 7.9142 116.2779 53.7038 39.9541 174.5082 58 Y 4.3763 7.7065 114.1181 57.3678 39.6553 174.9960 59 V 4.0985 6.4858 111.6267 59.5083 35.5033 173.9871 60 E 4.4161 7.4707 115.5200 55.6832 32.1448 175.5182 61 E 4.5081 9.1744 126.8979 59.1402 27.1935 175.9872 62 M 2.9389 7.9192 111.5254 56.3778 29.1489 177.8299 63 V 4.0582 7.9898 124.4793 62.8887 31.2010 176.4962 64 N 4.9273 8.3098 117.0449 50.1660 40.5618 175.5601 65 P 4.5785 0.0000 0.0000 60.3821 31.0769 173.0982 66 E 3.6886 8.7921 129.6848 56.7890 29.4002 174.1081 67 G 3.9125 8.0294 105.4523 45.2758 0.0000 173.2645 68 I 4.1390 8.3571 124.9725 59.9924 39.0568 174.5564 69 H 5.0874 7.5197 117.0147 53.8543 31.3249 176.2715 70 R 4.5808 8.0917 127.6774 56.4652 29.0475 176.1173 71 D 4.5455 8.7420 115.8509 54.1737 41.0354 175.8956 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 G 8.35 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.79 4.50 0.00 3.92 3.78 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 3 P 0.00 4.30 0.00 2.03 2.00 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 4 T 7.97 4.72 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 5 F 8.68 4.03 0.00 2.98 3.10 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 0.00 0.00 0.00 0.00 6 K 8.73 3.59 0.00 1.98 1.82 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.57 7.81 7 C 8.26 4.41 0.00 2.97 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 8 A 8.32 5.48 1.25 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 0.00 0.00 0.00 9 V 7.70 4.40 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 1.20 0.00 0.00 0.66 0.00 0.00 10 K 8.19 4.72 0.00 1.62 1.55 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.33 7.81 11 A 8.34 3.73 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 12 L 7.80 4.02 0.00 0.28 1.35 0.62 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.53 5.58 0.00 2.89 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 D 9.04 5.21 0.00 2.70 2.71 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 0.00 0.00 0.00 0.00 15 Y 8.44 4.17 0.00 1.61 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.21 4.94 0.00 1.55 1.51 0.00 1.56 0.00 0.00 2.34 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.37 7.81 17 A 8.26 4.55 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.98 4.20 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.32 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 19 R 7.42 4.74 0.00 1.80 1.81 0.00 3.33 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 20 E 9.58 4.73 0.00 2.06 2.00 0.00 0.00 0.00 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 2.63 0.00 21 D 8.28 4.61 0.00 3.01 3.08 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 0.00 0.00 0.00 22 E 7.23 5.86 0.00 2.32 1.80 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 1.72 2.30 0.00 23 L 7.64 5.28 0.00 2.19 1.78 1.18 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.40 4.77 4.44 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 1.31 0.00 0.00 25 F 7.57 4.53 0.00 2.58 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 26 I 8.21 4.78 1.96 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 1.47 0.85 1.02 0.00 0.00 27 K 8.29 4.54 0.00 1.85 1.84 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.62 1.57 7.81 28 S 9.17 4.49 0.00 3.90 4.33 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 29 A 8.10 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.38 4.65 1.90 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 1.48 1.85 0.92 0.00 0.00 31 I 7.84 4.41 1.43 0.00 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.00 0.78 0.00 0.00 32 Q 8.25 4.78 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.14 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 33 N 8.50 3.92 0.00 3.12 2.84 0.00 0.00 6.71 7.56 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 34 V 7.46 5.26 2.38 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 1.07 0.00 0.00 1.40 0.00 0.00 35 E 8.32 4.52 0.00 1.84 1.68 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 1.88 2.03 0.00 36 K 7.82 3.64 0.00 1.53 1.61 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.40 1.08 7.81 37 Q 9.79 4.50 0.00 2.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.08 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 38 E 9.69 3.78 0.00 2.00 1.92 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 2.19 2.11 0.00 39 G 7.32 4.09 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 0.00 40 G 9.47 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 7.84 4.95 0.00 3.40 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 42 W 9.86 5.04 0.00 3.29 3.15 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 0.00 43 R 8.44 3.88 0.00 1.14 1.38 0.00 2.80 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 44 G 8.76 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.57 4.68 0.00 2.86 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.54 4.41 0.00 2.75 2.95 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 47 G 7.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 3.30 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 0.00 0.00 0.00 49 K 7.13 4.33 0.00 1.65 1.84 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.57 7.81 50 K 8.03 4.24 0.00 1.66 1.67 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.46 7.81 51 Q 8.50 3.76 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.59 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 52 L 7.58 4.51 0.00 1.66 0.94 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.90 4.87 0.00 3.53 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 54 F 8.82 5.46 0.00 2.76 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 55 P 0.00 2.97 0.00 2.43 1.80 0.00 3.93 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.63 0.00 56 S 7.95 3.86 0.00 4.02 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 57 N 7.91 4.89 0.00 2.82 3.11 0.00 0.00 6.94 7.55 0.00 0.00 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 Y 7.71 4.38 0.00 3.21 3.25 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 0.00 59 V 6.49 4.10 1.44 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 0.52 0.00 0.00 -0.99 0.00 0.00 60 E 7.47 4.42 0.00 1.66 1.58 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 2.09 2.03 0.00 61 E 9.17 4.51 0.00 2.07 1.98 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 2.72 2.62 0.00 62 M 7.92 2.94 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 63 V 7.99 4.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.89 0.00 0.00 64 N 8.31 4.93 0.00 2.59 2.67 0.00 0.00 6.85 8.03 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 65 P 0.00 4.58 0.00 2.02 1.86 0.00 3.82 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 2.01 2.10 0.00 66 E 8.79 3.69 0.00 2.09 1.92 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 2.20 2.27 0.00 67 G 8.03 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 68 I 8.36 4.14 1.82 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 1.41 0.58 0.79 0.00 0.00 69 H 7.52 5.09 0.00 3.27 3.33 0.00 5.53 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.09 4.58 0.00 1.80 1.45 0.00 3.28 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 71 D 8.74 4.55 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00