NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4439 8.1627 120.6130 55.7527 34.2947 173.3505 2 T 4.7104 8.4170 118.1186 60.0737 69.1410 172.1763 3 I 4.2820 9.1949 130.9964 59.8446 39.4706 174.0895 4 Q 4.8672 8.6000 129.4864 54.7521 29.6798 174.5454 5 L 4.8493 8.9251 126.9651 53.2711 45.1835 175.8070 6 T 4.8994 8.3640 117.0888 62.1286 71.2796 173.7413 7 V 4.3728 8.6685 128.6276 58.9843 31.1730 174.7236 8 P 4.2775 0.0000 0.0000 66.1499 31.2599 177.2739 9 T 4.3957 7.7727 112.7903 61.7790 67.4167 174.1587 10 I 3.6155 7.2516 120.1022 62.2550 37.7504 175.6381 11 A 4.1377 8.7310 125.7550 52.8688 17.9035 178.7599 12 C 4.1291 7.4661 114.4272 60.3093 32.6441 171.8018 13 E 3.6695 8.9719 124.1739 58.0358 26.5772 173.3917 14 A 3.7241 8.7746 116.0231 52.8093 17.2178 176.1645 15 C 4.1140 7.9046 116.2607 60.3878 28.4697 174.5043 16 A 4.0430 8.5439 124.4667 55.2202 18.3089 179.6992 17 E 3.8767 8.4240 114.0262 59.3522 29.0013 178.9381 18 A 4.0058 8.2970 122.7747 55.4104 18.3746 179.9287 19 V 3.5348 7.9176 117.4476 65.1926 31.3557 178.3757 20 T 3.8218 7.8660 116.0097 66.5222 68.1114 176.4298 21 K 3.9927 7.9644 118.3317 59.2800 32.2595 178.9253 22 A 4.0969 8.2437 121.3134 55.3656 18.2785 179.6702 23 V 3.5160 8.3694 116.4466 66.4048 31.4914 178.2768 24 Q 4.2671 8.5885 117.7665 58.6915 28.1839 178.8483 25 N 4.3705 8.0701 117.4753 56.7738 38.7123 176.7678 26 E 4.1806 8.0493 118.2575 58.1424 31.4097 178.2679 27 D 4.6270 8.5210 121.1391 53.0177 38.8115 176.7098 28 A 4.4417 8.2119 123.3006 52.7557 19.1428 178.3954 29 Q 4.4426 7.9229 112.3290 55.5437 29.0190 175.5877 30 A 4.3439 7.6827 120.4457 52.4034 19.5495 177.5626 31 T 4.6053 8.8001 117.8932 62.2851 70.9877 174.4979 32 V 4.7854 8.1587 117.3011 60.0856 35.7241 175.5363 33 Q 4.4937 9.4831 124.3437 54.1558 31.2106 173.2617 34 V 4.4336 8.1980 122.6235 59.9633 33.6823 176.1190 35 D 4.8273 8.6105 124.7958 52.1610 39.9008 176.4001 36 L 4.0871 8.3099 122.3029 56.9542 42.3016 178.6088 37 T 4.1532 8.0052 114.6348 66.5605 70.1322 174.2372 38 S 4.8452 8.6299 113.6087 58.3768 64.8699 175.8978 39 K 4.7242 9.0426 127.2446 57.0148 33.4497 175.5400 40 K 5.2429 8.3334 119.0092 55.9873 36.4167 174.9149 41 V 4.7442 8.8857 120.7425 60.3907 35.0836 174.2109 42 T 4.9153 9.0962 121.4517 62.0425 70.8502 173.0853 43 I 4.5880 8.7435 128.5695 60.0851 39.5926 175.3277 44 T 5.1181 9.1440 123.7773 62.1996 70.7660 172.9425 45 S 4.7195 8.5251 119.8054 57.5653 66.0053 173.8593 46 A 4.3223 8.7006 121.6313 53.1717 19.2337 177.6485 47 L 4.7776 7.6769 114.7826 54.0503 42.3236 174.9330 48 G 4.2526 7.9342 111.2743 45.2632 0.0000 174.1888 49 E 3.8522 8.4039 119.4006 58.7702 29.2387 179.0409 50 E 3.9250 8.2290 117.5913 59.8066 29.5794 179.2301 51 Q 3.9487 7.9427 118.5087 59.0596 29.2891 177.5608 52 L 3.9063 8.3569 120.5353 58.2404 41.7019 179.0965 53 R 3.8265 8.2877 118.2908 60.3917 29.8386 178.4477 54 T 3.8458 7.7789 113.5884 66.4911 68.1626 176.7389 55 A 3.9503 8.3932 122.9505 55.3330 18.4820 179.2498 56 I 3.6297 8.1074 118.2846 64.9411 37.0585 178.2827 57 A 4.0949 7.9480 119.9610 55.4499 18.2362 179.2139 58 S 4.1368 8.3669 110.8781 61.2975 62.4131 175.8908 59 A 4.2628 7.5468 122.1937 52.5345 20.0332 177.1259 60 G 3.6414 8.6190 103.7708 46.2417 0.0000 172.3834 61 H 4.9281 7.6000 114.9326 54.4154 31.6414 175.6141 62 E 4.3901 8.5503 122.9001 56.1590 29.2193 177.0845 63 V 4.3008 7.4043 117.7222 60.0032 33.7499 175.9356 64 E 4.1641 8.2028 118.4439 56.6764 29.6460 176.2310 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 4.44 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 2 T 8.42 4.71 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 3 I 9.19 4.28 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 1.11 0.51 0.91 0.00 0.00 4 Q 8.60 4.87 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 5 L 8.93 4.85 0.00 1.58 1.66 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.36 4.90 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 1.28 0.00 0.00 7 V 8.67 4.37 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 0.97 0.00 0.00 8 P 0.00 4.28 0.00 2.20 2.23 0.00 3.85 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 2.06 1.96 0.00 9 T 7.77 4.40 4.25 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 1.26 0.00 0.00 10 I 7.25 3.62 2.05 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 1.24 0.65 0.98 0.00 0.00 11 A 8.73 4.14 1.40 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 12 C 7.47 4.13 0.00 2.98 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 13 E 8.97 3.67 0.00 2.00 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 2.15 2.19 0.00 14 A 8.77 3.72 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 15 C 7.90 4.11 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 4.04 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.42 3.88 0.00 2.24 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 0.00 2.37 2.46 0.00 18 A 8.30 4.01 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.92 3.53 2.01 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 0.83 0.00 0.00 0.93 0.00 0.00 20 T 7.87 3.82 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 1.21 0.00 0.00 21 K 7.96 3.99 0.00 1.73 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 22 A 8.24 4.10 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 23 V 8.37 3.52 2.13 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 1.18 0.00 0.00 0.94 0.00 0.00 24 Q 8.59 4.27 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 25 N 8.07 4.37 0.00 2.85 2.88 0.00 0.00 7.38 7.86 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 26 E 8.05 4.18 0.00 2.05 2.06 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 2.31 2.36 0.00 27 D 8.52 4.63 0.00 2.68 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 28 A 8.21 4.44 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 29 Q 7.92 4.44 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 30 A 7.68 4.34 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 31 T 8.80 4.61 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 32 V 8.16 4.79 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 0.67 0.00 0.00 0.93 0.00 0.00 33 Q 9.48 4.49 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 34 V 8.20 4.43 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 0.63 0.00 0.00 0.97 0.00 0.00 35 D 8.61 4.83 0.00 2.73 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 36 L 8.31 4.09 0.00 1.65 1.73 0.97 0.96 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 37 T 8.01 4.15 4.31 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 1.21 0.00 0.00 38 S 8.63 4.85 0.00 3.77 3.21 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 39 K 9.04 4.72 0.00 1.93 1.94 0.00 1.44 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.43 7.81 40 K 8.33 5.24 0.00 1.84 1.90 0.00 1.33 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.45 7.81 41 V 8.89 4.74 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 1.02 0.00 0.00 0.92 0.00 0.00 42 T 9.10 4.92 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 1.21 0.00 0.00 43 I 8.74 4.59 1.86 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 1.22 0.85 0.90 0.00 0.00 44 T 9.14 5.12 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 45 S 8.53 4.72 0.00 4.06 3.82 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 0.00 0.00 0.00 46 A 8.70 4.32 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 47 L 7.68 4.78 0.00 1.70 1.63 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.93 4.25 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 0.00 49 E 8.40 3.85 0.00 2.00 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 2.38 2.37 0.00 50 E 8.23 3.93 0.00 2.04 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 2.40 2.38 0.00 51 Q 7.94 3.95 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 52 L 8.36 3.91 0.00 1.90 1.72 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.29 3.83 0.00 2.17 1.97 0.00 3.14 0.00 0.00 3.49 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 54 T 7.78 3.85 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 55 A 8.39 3.95 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 56 I 8.11 3.63 1.95 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 0.91 0.00 0.00 57 A 7.95 4.09 1.40 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 58 S 8.37 4.14 0.00 3.96 4.06 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 59 A 7.55 4.26 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.62 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 61 H 7.60 4.93 0.00 3.07 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.55 4.39 0.00 1.97 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 2.30 2.24 0.00 63 V 7.40 4.30 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 0.73 0.00 0.00 0.97 0.00 0.00 64 E 8.20 4.16 0.00 2.14 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 2.48 2.25 0.00