NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.4585 8.1776 115.4129 57.9571 64.5948 174.9635 30 K 3.8703 8.1093 120.9615 56.8282 33.3833 176.3599 31 Q 4.3150 8.6850 119.2236 57.9206 30.2734 179.0285 32 K 3.9969 7.9378 120.4346 59.0512 32.1219 179.3007 33 V 3.6405 7.3444 119.2014 64.9706 31.2112 178.4932 34 Q 3.8438 7.9318 118.2760 58.8742 28.5853 178.6261 35 M 3.9986 7.7138 119.1970 58.3231 31.9137 179.0549 36 S 3.7241 7.9980 115.2274 61.6393 63.0607 176.6240 37 I 3.8348 7.5152 121.9416 64.8225 36.7090 178.1804 38 H 4.2185 8.0027 116.7677 58.9364 28.6278 177.6211 39 Q 3.8131 8.0751 121.3579 59.2014 28.8942 178.2311 40 F 4.2390 8.3143 119.0816 60.8418 38.9523 177.7119 41 T 3.9197 8.1079 115.3147 66.7411 67.8259 176.0199 42 N 4.3192 8.3638 119.0045 56.7657 38.5932 177.0153 43 I 3.6357 7.8234 120.9730 64.7807 37.2217 177.9112 44 C 4.3862 8.7667 117.7652 59.6860 40.6602 175.7940 45 F 4.0679 8.8581 122.7706 61.3107 38.7362 177.0901 46 K 3.8591 7.5170 116.2700 59.8203 32.0212 179.1707 47 K 4.1473 7.6918 116.5124 58.7208 32.0574 177.9039 48 C 4.8272 8.2370 115.4550 56.7125 42.2409 174.3126 49 V 3.7631 7.2138 120.8230 61.0421 29.5430 174.7655 50 E 3.9937 8.2868 126.6716 58.3938 29.9582 176.4002 51 S 4.4461 7.3172 110.1810 57.3324 65.6066 173.7790 52 V 4.2834 8.0941 119.2239 61.3636 32.2883 173.9422 53 N 4.9037 8.7699 123.6003 52.5724 41.0626 174.0869 54 D 4.9809 7.8449 115.3184 51.3172 42.1910 175.4341 55 S 4.4678 8.5055 111.5735 58.3227 62.5173 172.6364 56 N 5.0150 7.8261 117.0366 52.0568 40.8756 173.7185 57 L 4.4485 8.3354 125.0087 54.3889 42.7615 177.7064 58 S 4.5739 9.5104 119.3438 57.4548 65.6899 175.6434 59 S 4.1276 8.4672 117.4247 61.4629 62.7149 176.1679 60 Q 3.9121 8.0704 122.9133 59.1574 28.7731 178.1352 61 E 4.1043 8.0398 117.2647 58.5943 29.3538 178.3672 62 E 3.9845 8.0602 121.1186 59.0335 29.6397 178.1730 63 Q 3.9872 8.0886 119.6877 58.8608 29.0934 176.9114 64 C 4.1731 8.0888 119.5111 59.6531 40.0690 175.3302 65 L 3.9171 7.7095 122.0546 58.1618 41.7726 179.0410 66 S 4.1902 7.8166 113.5713 61.0309 63.3310 175.8860 67 N 4.2374 8.3050 120.3871 56.3268 38.3100 176.0348 68 C 4.1035 8.4457 119.9440 59.9517 44.7545 175.7725 69 V 3.2556 7.3940 119.3280 66.0408 30.9599 177.7288 70 N 4.2411 7.8990 115.4447 56.4085 38.4556 177.2734 71 R 3.8399 8.4158 120.4474 59.4755 30.0624 178.2910 72 F 3.6562 8.4345 120.4151 61.0919 39.5235 177.1055 73 L 4.0704 8.0517 118.6354 57.9528 41.4516 179.0665 74 D 4.3719 8.3209 119.0162 57.7351 40.6906 179.0919 75 T 3.7531 7.7867 115.8902 66.7043 68.3788 176.0179 76 N 4.2693 7.9741 118.2647 56.6811 38.6458 177.4504 77 I 3.6855 7.6413 120.4517 64.3836 37.2295 178.3289 78 R 3.8860 8.0006 119.4632 59.5652 29.8424 178.6070 79 I 3.7023 8.0950 119.9923 64.3307 37.0287 178.8775 80 V 3.6324 8.0809 120.3404 64.7971 31.2866 177.9071 81 N 4.4213 8.6469 117.9566 56.1769 38.2711 177.5190 82 G 3.7375 7.9605 105.2766 47.9387 0.0000 175.2542 83 L 4.1819 7.8231 120.1433 57.1679 41.7651 179.0804 84 Q 4.1961 7.8263 118.2623 58.6625 28.8701 177.7815 85 N 4.2285 7.8322 115.6757 54.9369 38.6672 175.2029 86 T 3.6365 7.5080 121.6365 63.8002 68.9832 171.4498 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 29 S 8.18 4.46 0.00 4.02 4.15 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 30 K 8.11 3.87 0.00 1.96 1.97 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.49 7.81 31 Q 8.68 4.31 0.00 2.28 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 32 K 7.94 4.00 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.49 7.81 33 V 7.34 3.64 2.24 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 0.83 0.00 0.00 0.94 0.00 0.00 34 Q 7.93 3.84 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 35 M 7.71 4.00 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 36 S 8.00 3.72 0.00 3.91 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 37 I 7.52 3.83 1.99 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 1.80 1.11 0.95 0.00 0.00 38 H 8.00 4.22 0.00 3.31 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.08 3.81 0.00 1.90 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 1.96 2.22 0.00 40 F 8.31 4.24 0.00 3.04 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 41 T 8.11 3.92 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 42 N 8.36 4.32 0.00 2.86 2.97 0.00 0.00 7.30 8.49 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 43 I 7.82 3.64 1.80 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.96 0.00 0.00 44 C 8.77 4.39 0.00 3.06 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 45 F 8.86 4.07 0.00 3.15 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 46 K 7.52 3.86 0.00 1.92 1.91 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.82 7.81 47 K 7.69 4.15 0.00 1.76 1.89 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.66 7.81 48 C 8.24 4.83 0.00 2.95 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 49 V 7.21 3.76 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 0.00 0.00 0.39 0.00 0.00 0.57 0.00 0.00 50 E 8.29 3.99 0.00 1.92 1.90 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 2.25 2.26 0.00 51 S 7.32 4.45 0.00 3.95 3.76 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 52 V 8.09 4.28 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 0.90 0.00 0.00 0.97 0.00 0.00 53 N 8.77 4.90 0.00 2.68 2.79 0.00 0.00 6.96 8.06 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 54 D 7.84 4.98 0.00 2.74 2.64 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 55 S 8.51 4.47 0.00 3.86 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 56 N 7.83 5.01 0.00 2.70 2.72 0.00 0.00 7.13 7.78 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 57 L 8.34 4.45 0.00 1.69 1.60 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 S 9.51 4.57 0.00 4.00 3.98 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 0.00 0.00 0.00 59 S 8.47 4.13 0.00 4.07 4.17 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 60 Q 8.07 3.91 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 61 E 8.04 4.10 0.00 2.31 2.16 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 2.54 2.30 0.00 62 E 8.06 3.98 0.00 2.30 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 2.31 2.32 0.00 63 Q 8.09 3.99 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 64 C 8.09 4.17 0.00 3.16 3.22 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 65 L 7.71 3.92 0.00 2.04 1.72 0.97 1.29 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 66 S 7.82 4.19 0.00 4.08 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 67 N 8.30 4.24 0.00 2.96 2.93 0.00 0.00 6.61 8.31 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 68 C 8.45 4.10 0.00 3.12 3.33 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 69 V 7.39 3.26 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 0.53 0.00 0.00 0.91 0.00 0.00 70 N 7.90 4.24 0.00 3.01 2.82 0.00 0.00 6.71 7.25 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 71 R 8.42 3.84 0.00 2.12 1.96 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 72 F 8.43 3.66 0.00 3.36 3.01 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 73 L 8.05 4.07 0.00 1.87 1.71 0.81 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.32 4.37 0.00 2.82 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 75 T 7.79 3.75 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 1.01 0.00 0.00 76 N 7.97 4.27 0.00 3.02 2.96 0.00 0.00 7.12 7.34 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 77 I 7.64 3.69 1.87 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 1.42 0.84 0.91 0.00 0.00 78 R 8.00 3.89 0.00 2.08 2.00 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 79 I 8.09 3.70 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.47 0.91 0.00 0.00 80 V 8.08 3.63 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 1.06 0.00 0.00 0.94 0.00 0.00 81 N 8.65 4.42 0.00 2.80 2.91 0.00 0.00 6.92 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.96 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 0.00 0.00 0.00 83 L 7.82 4.18 0.00 1.81 1.74 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.83 4.20 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 85 N 7.83 4.23 0.00 2.70 2.90 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.51 3.64 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