NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.4172 8.2544 119.7181 55.7335 32.3991 175.9183 9 E 3.9437 8.2691 121.8754 58.0127 29.8277 175.5274 10 C 5.4112 8.8027 114.5393 55.1287 44.6597 173.6870 11 C 4.9499 8.4694 117.5603 55.3926 40.8802 174.3246 12 L 3.8043 8.4203 124.9253 56.3317 41.7378 177.4847 13 E 4.2581 7.9629 118.1442 55.0921 30.2000 173.4733 14 Y 4.7212 8.0620 123.8120 58.2814 39.0572 176.2892 15 F 4.5584 9.8146 126.3605 57.5077 40.1674 174.8945 16 K 4.0121 9.0869 128.6695 56.1349 32.4441 176.2118 17 G 3.3968 7.6468 116.9340 45.0888 0.0000 170.3426 18 A 4.5917 8.0972 125.5328 50.1579 20.5056 176.9319 19 I 3.7233 8.1982 124.8415 60.8762 37.4374 176.2449 20 P 4.4981 0.0000 0.0000 60.6641 27.9502 176.4704 21 L 3.8767 7.6172 122.0373 57.8456 41.8022 179.1283 22 R 3.7587 7.8654 114.0003 58.5995 29.5813 178.0561 23 K 4.2808 9.1434 119.6931 56.8806 32.8273 176.9966 24 L 4.3635 6.9184 118.1609 55.4827 41.9350 176.8942 25 K 4.5239 8.8304 121.6187 55.4413 33.8199 174.8230 26 T 4.3603 7.5902 111.8937 62.9649 70.5555 170.5797 27 W 5.6079 8.5359 118.4948 56.5780 30.7789 173.0818 28 Y 4.5508 7.7410 118.2451 55.7894 41.6723 172.5537 29 Q 5.1544 8.7385 119.8826 54.2873 31.1152 175.4037 30 T 4.3875 8.3124 117.1897 62.0401 69.4656 173.9191 31 S 4.2163 8.5965 118.3058 59.2385 63.6307 175.6311 32 E 3.9817 9.0332 122.6354 59.7881 29.5275 178.1433 33 D 4.5218 8.3266 116.9698 57.5433 41.0276 178.2953 34 C 4.1567 7.5973 114.7435 57.2642 40.8191 173.7667 35 S 4.1321 8.8361 118.1749 61.0378 61.9824 174.6890 36 R 4.6355 7.6059 113.7898 54.3619 31.8183 173.8788 37 D 4.9585 8.3958 116.2826 52.7888 43.0692 174.6537 38 A 4.7750 8.2962 126.0339 51.4916 23.7959 174.5998 39 I 4.4562 8.8065 120.1460 59.6248 40.2110 175.6014 40 V 4.8629 7.4962 126.8970 60.2670 32.4763 174.2777 41 F 4.7147 8.5645 127.3319 57.3315 40.2503 174.3845 42 V 4.8460 8.8308 124.5174 61.4774 32.3284 176.2706 43 T 4.8962 9.1777 119.7962 60.9907 70.5486 175.3339 44 V 3.9160 8.0414 113.9640 64.2952 31.7271 177.8239 45 Q 4.2005 8.3323 117.9146 57.0441 28.9986 175.8257 46 G 3.6262 6.9711 109.2750 45.6586 0.0000 173.6694 47 R 4.3255 7.7127 120.0542 56.3332 31.4732 175.3264 48 A 5.3464 8.3775 121.1047 50.3355 22.5444 175.3855 49 I 4.6672 9.0234 113.0262 59.3132 41.4985 173.4829 50 C 5.5914 8.8028 120.1651 55.8427 40.2454 173.0128 51 S 4.7495 8.7572 117.4726 56.8792 67.9425 173.1118 52 D 3.9411 7.9795 121.8038 52.9257 40.9906 175.1721 53 P 4.1108 0.0000 0.0000 65.6264 31.4146 177.2033 54 N 4.5317 8.5512 113.9375 54.2010 39.2361 175.7376 55 N 4.3353 8.0441 118.2993 53.1693 40.5805 174.9951 56 K 3.8563 8.5875 128.3562 59.7467 32.2977 178.5151 57 R 4.3334 7.7163 115.3636 56.6665 29.8908 178.1333 58 V 3.9208 7.4237 119.4977 65.4340 31.9714 177.8949 59 K 3.9120 7.9334 117.9087 58.9481 31.6731 178.8679 60 N 4.3479 8.0185 117.2386 56.3612 38.9461 176.8633 61 A 4.0264 7.6042 120.9847 54.8048 18.4013 179.8932 62 V 3.1499 7.4785 116.7161 65.9503 31.5248 178.2499 63 K 3.9178 7.7744 117.9402 59.6856 31.6428 178.6714 64 Y 4.0846 7.6328 118.6483 60.8612 39.2024 177.6785 65 L 3.8989 7.9014 119.3762 57.8658 41.7546 179.5683 66 Q 4.1623 8.2818 117.8020 58.5101 28.3859 178.2058 67 S 4.2718 7.6675 113.1954 60.2574 62.5998 175.2801 68 L 4.0255 7.1986 119.7483 55.0352 41.4866 176.4326 69 E 4.3719 7.4992 124.3864 56.3887 31.5774 174.8466 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 8 R 8.25 4.42 0.00 1.94 2.23 0.00 3.25 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 9 E 8.27 3.94 0.00 2.09 1.97 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 2.41 2.39 0.00 10 C 8.80 5.41 0.00 2.99 2.99 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 11 C 8.47 4.95 0.00 3.05 3.17 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 12 L 8.42 3.80 0.00 1.64 1.70 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.96 4.26 0.00 1.86 1.84 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 2.27 2.34 0.00 14 Y 8.06 4.72 0.00 2.91 2.87 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 15 F 9.81 4.56 0.00 2.99 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 16 K 9.09 4.01 0.00 1.69 1.49 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.31 7.81 17 G 7.65 3.40 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 0.00 0.00 0.00 0.00 18 A 8.10 4.59 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 19 I 8.20 3.72 1.56 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.39 0.19 0.00 0.00 20 P 0.00 4.50 0.00 2.08 1.93 0.00 3.41 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 1.96 2.08 0.00 21 L 7.62 3.88 0.00 1.34 0.91 0.70 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.87 3.76 0.00 1.97 2.04 0.00 3.00 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 23 K 9.14 4.28 0.00 2.02 1.86 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.45 7.81 24 L 6.92 4.36 0.00 1.93 1.87 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.83 4.52 0.00 1.69 2.10 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 26 T 7.59 4.36 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 1.30 0.00 0.00 27 W 8.54 5.61 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 28 Y 7.74 4.55 0.00 2.91 2.90 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 29 Q 8.74 5.15 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 30 T 8.31 4.39 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 1.37 0.00 0.00 31 S 8.60 4.22 0.00 3.86 4.11 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 0.00 0.00 0.00 0.00 32 E 9.03 3.98 0.00 1.95 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 0.00 2.34 2.43 0.00 33 D 8.33 4.52 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 34 C 7.60 4.16 0.00 3.13 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 35 S 8.84 4.13 0.00 3.82 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 36 R 7.61 4.64 0.00 2.03 1.93 0.00 2.41 0.00 0.00 2.57 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 37 D 8.40 4.96 0.00 2.70 2.65 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 38 A 8.30 4.77 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.81 4.46 1.64 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.82 0.45 0.00 0.00 40 V 7.50 4.86 0.68 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 1.06 0.00 0.00 0.81 0.00 0.00 41 F 8.56 4.71 0.00 3.03 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 42 V 8.83 4.85 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 1.15 0.00 0.00 1.06 0.00 0.00 43 T 9.18 4.90 4.37 0.00 0.00 0.00 0.00 0.00 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 44 V 8.04 3.92 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 0.79 0.00 0.00 0.95 0.00 0.00 45 Q 8.33 4.20 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.19 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 46 G 6.97 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 4.33 0.00 1.73 1.86 0.00 3.24 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 48 A 8.38 5.35 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 49 I 9.02 4.67 1.73 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.17 0.16 0.00 0.00 50 C 8.80 5.59 0.00 3.23 3.31 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 51 S 8.76 4.75 0.00 3.94 3.74 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 52 D 7.98 3.94 0.00 1.94 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 53 P 0.00 4.11 0.00 2.05 2.10 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.02 0.00 54 N 8.55 4.53 0.00 2.64 2.85 0.00 0.00 6.95 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 55 N 8.04 4.34 0.00 2.95 2.63 0.00 0.00 6.66 6.49 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 56 K 8.59 3.86 0.00 1.80 1.76 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.46 7.81 57 R 7.72 4.33 0.00 1.80 1.86 0.00 3.29 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 58 V 7.42 3.92 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 1.10 0.00 0.00 0.94 0.00 0.00 59 K 7.93 3.91 0.00 1.95 1.78 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.57 7.81 60 N 8.02 4.35 0.00 2.88 2.91 0.00 0.00 6.93 8.69 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 61 A 7.60 4.03 1.28 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 0.00 0.00 0.00 62 V 7.48 3.15 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 -0.01 0.00 0.00 0.23 0.00 0.00 63 K 7.77 3.92 0.00 2.04 1.89 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.64 7.81 64 Y 7.63 4.08 0.00 2.85 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 65 L 7.90 3.90 0.00 1.95 1.84 1.31 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.28 4.16 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.59 0.00 67 S 7.67 4.27 0.00 3.89 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 68 L 7.20 4.03 0.00 1.74 1.62 0.41 0.59 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 69 E 7.50 4.37 0.00 2.11 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 0.00 2.14 2.25 0.00