NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4784 8.1633 120.3258 54.7348 33.3840 175.8334 2 R 3.7490 7.8431 120.7180 59.0037 30.5521 177.2089 3 K 3.8995 8.2972 118.2932 59.6614 32.3941 178.4638 4 Q 4.9082 8.5640 121.2621 58.6379 28.8395 177.9797 5 L 3.9470 7.9507 119.6109 58.5947 41.5714 178.6683 6 E 3.9547 8.3839 117.9299 59.0702 29.3419 179.1177 7 E 3.8561 8.5939 117.7910 60.3906 29.5880 178.9421 8 A 3.8759 8.3269 118.3850 55.4130 18.2831 179.8987 9 R 3.9389 8.3581 116.9087 58.8725 30.5338 178.6992 10 K 4.0085 7.8582 116.8888 58.9528 32.3620 177.9148 11 L 4.6511 7.5552 117.1528 54.8298 43.7474 177.4771 12 S 4.6241 9.1543 118.2775 56.3556 64.6493 173.9083 13 P 4.3553 0.0000 0.0000 64.6662 29.3559 178.5023 14 V 4.4941 9.1664 123.1889 63.7408 31.2714 176.8148 15 E 4.0315 8.7213 117.7981 57.6811 28.8676 178.5525 16 L 3.8221 6.3912 123.7153 59.5427 43.0129 177.2431 17 E 3.7267 8.7264 115.4879 60.9474 29.2967 179.1564 18 K 4.0087 8.5250 122.1222 60.0265 32.9740 179.0643 19 L 3.9000 8.1633 122.5324 58.2416 41.9939 179.3094 20 V 3.6123 8.1854 119.2468 64.8042 31.2370 178.1994 21 R 3.8839 8.1943 118.8072 59.1523 29.8900 178.6398 22 E 3.9323 8.6103 118.2704 59.4883 29.5200 179.4571 23 K 3.8313 8.2272 118.5944 59.6252 32.0808 178.9847 24 K 3.8189 8.3333 118.7232 59.8105 31.9575 179.0342 25 R 3.8726 8.2019 118.2328 59.7241 30.0819 178.0139 26 E 3.7442 8.2532 118.6189 59.9176 29.4285 178.9193 27 L 3.9414 8.1979 118.4737 58.0748 41.6185 179.2991 28 M 4.0591 8.2539 118.7610 58.9136 31.8768 178.5907 29 E 2.5400 7.7009 118.4098 59.2501 29.3730 179.2810 30 L 3.8894 7.5994 117.2009 58.4316 42.0360 179.7685 31 R 4.1222 8.2850 117.5419 59.6162 29.9239 178.4406 32 F 4.1630 8.9303 116.0292 61.1644 39.0822 177.4882 33 Q 4.1216 8.7314 117.3829 58.8148 28.4858 177.5269 34 A 4.0985 7.3278 123.6240 51.9449 20.0249 177.8087 35 S 6.3000 10.5507 123.2027 59.8889 66.9043 176.7476 36 I 4.2220 7.5722 121.1181 60.9313 36.9505 176.5349 37 G 3.5802 8.7414 103.6955 46.5522 0.0000 173.0356 38 Q 3.8666 7.5856 120.4975 54.9208 27.3623 175.7604 39 L 3.8344 7.5153 118.3680 58.8579 42.2045 179.1039 40 S 4.3542 7.8035 112.6920 60.0272 63.0636 175.2635 41 Q 3.7415 8.1261 121.0220 58.8869 28.4310 182.1530 42 N 3.3788 7.9842 111.5238 54.5574 41.3074 176.4527 43 H 4.1704 7.4129 117.2616 58.9759 29.2055 177.5168 44 K 3.8723 9.4188 122.0783 60.1832 31.8782 178.0494 45 I 3.7187 7.8125 112.9367 63.6013 37.2850 177.6628 46 R 3.8604 8.4245 120.1370 58.7622 30.1898 178.7250 47 D 4.3083 8.2467 118.2214 57.4515 40.8487 178.4417 48 L 4.0766 7.8941 119.3766 58.0834 41.5850 179.9077 49 K 3.9189 8.2449 117.9505 59.6680 31.9881 179.2686 50 R 3.9174 8.0573 118.2916 60.1502 29.9669 178.3811 51 Q 3.9776 8.5579 117.5859 59.2365 28.6310 178.8535 52 I 3.6329 8.3734 120.1338 64.6289 37.2794 178.0141 53 A 3.9742 8.2369 121.5605 55.6515 18.0697 179.3848 54 R 3.8257 8.2884 117.2550 59.2241 30.1794 179.4167 55 L 3.8542 8.0663 118.2806 57.7548 41.5693 179.8650 56 L 3.9482 8.0773 118.8712 58.1424 41.3381 179.3620 57 T 3.9000 8.0403 116.3172 67.2337 68.3473 176.2825 58 V 3.6708 8.2898 121.0735 64.3067 31.3758 178.0363 59 L 3.7964 8.2889 121.7233 57.4250 42.1214 178.6142 60 N 4.2215 8.4863 117.0205 56.6493 38.7881 175.8751 61 E 3.8829 8.4619 120.7814 59.7203 29.6318 178.8581 62 K 3.9315 8.2904 119.2973 59.7994 32.3257 179.0509 63 R 3.9694 8.3837 118.1776 58.6558 29.7559 179.5373 64 R 3.8764 7.8993 117.7580 59.3093 30.1939 178.2323 65 Q 4.1548 7.9607 116.7223 59.6479 28.9201 178.3648 66 N 3.8888 8.3244 113.4829 56.2289 38.6926 174.7770 67 A 4.4335 7.5247 126.7376 52.2528 19.4582 176.6404 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 M 8.16 4.48 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 2 R 7.84 3.75 0.00 1.97 2.00 0.00 3.19 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 3 K 8.30 3.90 0.00 1.76 1.87 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.45 7.81 4 Q 8.56 4.91 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 5 L 7.95 3.95 0.00 2.09 1.73 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.38 3.95 0.00 2.15 1.93 0.00 0.00 0.00 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 2.50 0.00 7 E 8.59 3.86 0.00 2.18 2.02 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 2.34 2.42 0.00 8 A 8.33 3.88 1.37 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 0.00 0.00 0.00 9 R 8.36 3.94 0.00 1.93 2.00 0.00 3.35 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 10 K 7.86 4.01 0.00 1.78 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.64 7.81 11 L 7.56 4.65 0.00 1.63 1.63 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.15 4.62 0.00 3.74 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 13 P 0.00 4.36 0.00 2.25 1.83 0.00 4.00 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 14 V 9.17 4.49 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 1.11 0.00 0.00 0.93 0.00 0.00 15 E 8.72 4.03 0.00 2.24 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 16 L 6.39 3.82 0.00 1.78 1.86 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.73 3.73 0.00 2.30 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 2.34 2.54 0.00 18 K 8.52 4.01 0.00 2.02 2.10 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.57 7.81 19 L 8.16 3.90 0.00 1.68 1.80 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.19 3.61 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 1.06 0.00 0.00 0.93 0.00 0.00 21 R 8.19 3.88 0.00 1.99 2.03 0.00 3.30 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 22 E 8.61 3.93 0.00 2.08 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 2.40 0.00 23 K 8.23 3.83 0.00 2.00 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 24 K 8.33 3.82 0.00 1.97 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.82 7.81 25 R 8.20 3.87 0.00 2.01 1.98 0.00 3.35 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.99 0.00 26 E 8.25 3.74 0.00 2.03 2.32 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 2.27 2.34 0.00 27 L 8.20 3.94 0.00 1.89 1.71 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.25 4.06 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.70 0.00 29 E 7.70 2.54 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 30 L 7.60 3.89 0.00 1.66 1.73 0.93 0.80 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 31 R 8.29 4.12 0.00 2.27 2.13 0.00 3.37 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 32 F 8.93 4.16 0.00 3.04 3.13 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 33 Q 8.73 4.12 0.00 2.24 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 34 A 7.33 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 10.55 6.30 0.00 4.04 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 36 I 7.57 4.22 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 1.36 0.96 0.95 0.00 0.00 37 G 8.74 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 38 Q 7.59 3.87 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 39 L 7.52 3.83 0.00 1.63 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.80 4.35 0.00 4.00 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 41 Q 8.13 3.74 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.19 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 42 N 7.98 3.38 0.00 2.52 2.63 0.00 0.00 7.17 7.77 0.00 0.00 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 H 7.41 4.17 0.00 3.18 3.56 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 9.42 3.87 0.00 1.86 1.81 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 45 I 7.81 3.72 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 1.46 0.57 0.93 0.00 0.00 46 R 8.42 3.86 0.00 1.91 1.99 0.00 3.11 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 47 D 8.25 4.31 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 4.08 0.00 2.25 1.63 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.24 3.92 0.00 2.00 1.86 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.69 7.81 50 R 8.06 3.92 0.00 1.99 2.01 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 51 Q 8.56 3.98 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 52 I 8.37 3.63 1.87 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 1.45 0.80 0.91 0.00 0.00 53 A 8.24 3.97 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 54 R 8.29 3.83 0.00 1.89 2.02 0.00 3.17 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 55 L 8.07 3.85 0.00 2.02 1.71 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.08 3.95 0.00 1.81 1.71 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.04 3.90 4.34 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 1.21 0.00 0.00 58 V 8.29 3.67 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 0.85 0.00 0.00 0.93 0.00 0.00 59 L 8.29 3.80 0.00 1.77 1.84 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.49 4.22 0.00 2.86 3.07 0.00 0.00 6.85 8.50 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 61 E 8.46 3.88 0.00 2.05 2.09 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 2.32 2.36 0.00 62 K 8.29 3.93 0.00 1.90 1.76 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.52 7.81 63 R 8.38 3.97 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 64 R 7.90 3.88 0.00 2.26 1.99 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 65 Q 7.96 4.15 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 66 N 8.32 3.89 0.00 2.68 2.81 0.00 0.00 7.19 7.96 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 67 A 7.52 4.43 1.24 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 0.00 0.00