NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3195 8.1593 117.3718 62.4547 69.5554 173.4586 2 P 4.2528 0.0000 0.0000 62.4488 32.3233 174.3380 3 D 4.4079 8.7491 121.3275 55.3065 41.6533 177.5391 4 C 4.9271 8.5888 116.9030 58.0395 48.6832 174.4614 5 V 4.6416 7.4095 115.3932 61.0786 34.6002 173.1164 6 T 4.9908 8.1656 118.2760 61.4403 73.1179 173.8366 7 G 3.8911 7.8024 111.4223 46.5111 0.0000 171.6732 8 K 4.8374 8.2956 119.1748 55.6063 33.5855 177.5763 9 V 3.9635 8.1484 121.8324 61.9781 31.3535 175.2709 10 E 4.2630 8.9201 130.4394 59.1722 30.0226 176.2245 11 Y 4.9022 6.8975 114.4573 56.5864 40.7762 172.8582 12 T 4.9958 8.7369 109.8215 60.0445 72.4886 173.1097 13 K 4.5045 7.8533 122.7730 55.3623 36.0906 173.8611 14 Y 4.6917 8.7721 129.0710 56.7414 39.8937 174.7294 15 N 4.8514 8.2302 124.4105 51.4471 40.5662 175.6559 16 D 4.4565 8.6270 118.9406 56.9757 41.0171 176.3104 17 D 4.7682 7.9202 117.5427 52.9699 39.7888 176.4662 18 D 4.4739 7.7391 115.9486 56.0098 39.2851 173.7928 19 T 4.1044 6.8833 109.2473 60.5300 71.4330 173.0665 20 F 5.1120 8.5784 124.6857 56.8111 41.9527 174.1768 21 T 5.0947 8.3740 122.9617 61.9819 70.9344 173.7030 22 V 4.5307 8.8734 124.9256 60.8736 35.0301 174.2203 23 K 4.4296 8.2829 128.9061 54.6848 33.4465 174.6586 24 V 4.4391 7.6796 126.2231 60.7062 34.3717 176.0502 25 G 3.7296 8.7947 115.5150 47.1290 0.0000 174.8322 26 D 4.6875 8.6880 121.4825 53.9794 40.4249 177.0820 27 K 4.3473 7.6959 118.4143 56.2859 33.7491 176.2285 28 E 4.4943 8.6707 123.0277 54.7665 31.8717 174.5854 29 L 5.3925 8.3325 128.1737 53.4589 45.1528 174.8339 30 F 5.3780 8.3831 113.5844 56.7390 41.9830 173.1021 31 T 4.2948 8.8385 112.6198 60.5738 70.6165 173.5184 32 N 4.3938 8.5321 123.8026 52.6120 38.1119 175.4043 33 R 4.2689 7.5504 119.9914 54.8395 29.2493 176.7096 34 W 4.4246 8.8834 124.5118 60.2269 29.3997 178.7913 35 N 4.6079 8.3090 114.7575 55.8476 37.9722 177.2276 36 L 4.1293 8.1439 120.4684 57.3295 41.6064 179.0580 37 Q 3.2626 7.5815 117.2787 58.6974 28.7283 178.4556 38 S 3.9702 7.9150 113.1344 61.6427 62.5296 175.9306 39 L 3.8172 7.3526 120.8578 58.1539 41.3069 179.8094 40 L 4.2444 8.7141 118.9512 57.6506 41.5442 179.2822 41 L 4.1175 8.0251 120.4964 58.2841 42.0051 179.2723 42 S 4.1145 8.0749 114.6547 61.2821 62.7321 176.4395 43 A 3.9972 7.8709 123.4715 55.2481 17.9675 179.3970 44 Q 3.9637 8.2014 117.0270 59.5949 29.2234 178.4048 45 I 3.9760 7.9595 119.9194 63.6525 37.2847 177.4976 46 T 4.3899 8.0567 108.5943 60.9636 69.2496 175.1669 47 G 3.8594 7.9659 109.6986 46.8074 0.0000 174.0494 48 M 4.3114 8.0483 117.8680 55.2905 32.9245 175.7104 49 T 4.5832 8.6863 117.9688 62.5210 70.5959 174.6590 50 V 4.8958 8.7460 118.7771 59.8226 35.9600 174.8131 51 T 4.8240 8.0388 117.6223 60.8870 72.1059 173.1475 52 I 4.3482 8.3151 127.7729 59.6524 39.2565 174.9007 53 K 4.8721 7.9630 125.3498 55.0289 34.4436 175.1620 54 T 4.4314 7.9720 117.4271 61.7249 70.3246 173.0384 55 N 4.5113 8.9134 123.1496 55.9255 38.9596 176.9547 56 A 4.4020 7.6653 121.6970 52.1133 18.1379 179.5911 57 C 4.4459 8.1018 119.0695 57.6282 42.9224 172.6569 58 H 5.1187 7.5003 113.0635 52.9309 31.3607 172.2673 59 N 4.3536 8.7658 118.2358 55.4068 38.7676 175.5550 60 G 4.0546 9.1807 110.5162 45.2706 0.0000 173.6489 61 G 3.9473 7.6023 107.7658 44.4134 0.0000 173.8763 62 G 3.3194 8.2201 109.5163 44.9284 0.0000 172.5012 63 F 5.2521 7.5897 116.2279 55.3783 41.4110 175.2266 64 S 4.6597 8.4821 109.8184 58.8156 66.3607 173.7825 65 E 4.8576 8.1557 121.2108 54.9356 32.6365 175.0036 66 V 4.5692 8.1036 121.7055 61.5979 35.0338 173.1762 67 I 4.2936 8.2928 127.9376 59.4096 39.8519 174.4072 68 F 4.9443 8.5975 125.1135 55.7138 40.8901 175.5885 69 R 4.2970 8.8482 123.9028 56.4045 30.3346 174.9744 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 T 8.16 4.32 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 2 P 0.00 4.25 0.00 2.17 2.17 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 3 D 8.75 4.41 0.00 2.52 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 4 C 8.59 4.93 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 5 V 7.41 4.64 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 0.53 0.00 0.00 0.91 0.00 0.00 6 T 8.17 4.99 4.19 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 1.17 0.00 0.00 7 G 7.80 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 0.00 0.00 0.00 8 K 8.30 4.84 0.00 1.65 1.76 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.43 7.81 9 V 8.15 3.96 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 0.76 0.00 0.00 0.97 0.00 0.00 10 E 8.92 4.26 0.00 2.01 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 2.37 2.27 0.00 11 Y 6.90 4.90 0.00 3.06 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 12 T 8.74 5.00 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 1.47 0.00 0.00 13 K 7.85 4.50 0.00 1.88 1.61 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 14 Y 8.77 4.69 0.00 3.28 2.92 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 0.00 0.00 0.00 15 N 8.23 4.85 0.00 2.75 2.61 0.00 0.00 6.19 8.14 0.00 0.00 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 D 8.63 4.46 0.00 2.63 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 17 D 7.92 4.77 0.00 2.78 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 18 D 7.74 4.47 0.00 2.90 2.56 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 0.00 0.00 0.00 0.00 19 T 6.88 4.10 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 1.03 0.00 0.00 20 F 8.58 5.11 0.00 2.92 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 21 T 8.37 5.09 4.16 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 1.31 0.00 0.00 22 V 8.87 4.53 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 0.90 0.00 0.00 1.22 0.00 0.00 23 K 8.28 4.43 0.00 0.79 0.74 0.00 1.37 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.88 1.08 7.81 24 V 7.68 4.44 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 0.77 0.00 0.00 0.81 0.00 0.00 25 G 8.79 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.69 4.69 0.00 2.77 2.77 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 0.00 0.00 0.00 0.00 27 K 7.70 4.35 0.00 1.66 1.75 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.35 7.81 28 E 8.67 4.49 0.00 1.99 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 2.29 2.28 0.00 29 L 8.33 5.39 0.00 1.91 1.99 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.38 5.38 0.00 3.10 3.07 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 0.00 0.00 0.00 0.00 31 T 8.84 4.29 2.73 0.00 0.00 0.00 0.00 0.00 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 32 N 8.53 4.39 0.00 2.79 2.91 0.00 0.00 6.11 7.66 0.00 0.00 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 R 7.55 4.27 0.00 1.84 1.96 0.00 3.35 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 34 W 8.88 4.42 0.00 3.42 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 35 N 8.31 4.61 0.00 2.80 2.92 0.00 0.00 7.15 6.74 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 36 L 8.14 4.13 0.00 1.93 1.89 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.58 3.26 0.00 2.21 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.82 0.00 38 S 7.91 3.97 0.00 3.87 3.84 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 39 L 7.35 3.82 0.00 2.02 1.42 0.97 0.43 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 40 L 8.71 4.24 0.00 1.94 2.04 1.33 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.03 4.12 0.00 1.83 1.82 1.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.07 4.11 0.00 3.99 3.84 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 43 A 7.87 4.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.20 3.96 0.00 2.14 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 45 I 7.96 3.98 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 0.93 0.00 0.00 46 T 8.06 4.39 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 1.21 0.00 0.00 47 G 7.97 3.86 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 0.00 0.00 0.00 48 M 8.05 4.31 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 49 T 8.69 4.58 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 1.20 0.00 0.00 50 V 8.75 4.90 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 0.82 0.00 0.00 0.89 0.00 0.00 51 T 8.04 4.82 4.10 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 1.15 0.00 0.00 52 I 8.32 4.35 1.52 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.08 0.50 0.00 0.00 53 K 7.96 4.87 0.00 1.63 1.70 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.23 7.81 54 T 7.97 4.43 4.28 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 1.17 0.00 0.00 55 N 8.91 4.51 0.00 2.75 2.85 0.00 0.00 6.93 7.35 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 56 A 7.67 4.40 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 57 C 8.10 4.45 0.00 2.92 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 58 H 7.50 5.12 0.00 3.36 3.35 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.77 4.35 0.00 2.76 2.89 0.00 0.00 7.09 7.65 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 60 G 9.18 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.60 3.95 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 0.00 0.00 0.00 62 G 8.22 3.32 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 0.00 0.00 0.00 0.00 63 F 7.59 5.25 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.48 4.66 0.00 3.99 3.87 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 65 E 8.16 4.86 0.00 2.06 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 2.28 2.26 0.00 66 V 8.10 4.57 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 67 I 8.29 4.29 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.85 0.00 0.00 68 F 8.60 4.94 0.00 2.94 2.96 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 0.00 0.00 0.00 0.00 69 R 8.85 4.30 0.00 1.86 1.71 0.00 3.12 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00