NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4693 8.3193 115.4130 57.7097 64.6453 173.4746 2 S 4.1857 8.1948 115.5320 57.7568 64.8133 173.5033 3 N 4.4071 9.1768 123.3917 56.4780 38.9296 178.6518 4 A 4.0487 8.0568 121.6284 55.2968 18.5681 179.7433 5 K 4.0086 8.1263 116.9309 59.5183 32.1438 179.3549 6 F 4.0003 8.4942 120.9956 61.4244 39.3133 176.8179 7 D 4.7150 8.7418 120.2876 56.8273 40.5528 178.6681 8 Q 3.9341 8.0395 119.6099 59.0714 29.0422 177.9116 9 F 4.1108 8.0476 121.8539 61.3241 39.2639 177.0838 10 S 3.5627 8.0112 114.1477 61.2931 62.5663 176.4560 11 S 3.9990 7.9907 116.5233 61.3075 62.1089 175.8072 12 D 4.3631 8.1140 121.6434 57.4615 40.4560 178.7315 13 F 4.0101 8.0946 121.4621 61.1552 39.3386 177.3612 14 Q 3.9575 8.2479 117.9338 59.0426 28.4664 178.8802 15 T 3.8387 7.9002 116.8964 66.3987 68.5086 176.4736 16 F 4.1218 8.2772 122.8598 61.3758 39.3390 176.4380 17 N 3.5849 7.8937 116.5711 56.6033 38.6384 176.6019 18 A 3.9008 7.8350 121.8975 54.9658 18.3660 179.5152 19 K 3.8640 8.0034 118.2046 59.4881 32.1765 178.8645 20 F 3.9192 8.1779 121.4138 61.2349 39.2828 176.8029 21 D 4.2876 8.1949 118.6265 57.2833 40.5476 178.5582 22 Q 3.8795 8.0389 119.9416 59.1504 29.0183 178.0264 23 F 4.2558 8.2700 121.8823 61.4818 39.3862 176.9782 24 S 3.4399 7.8289 112.9314 61.1244 62.0643 175.8905 25 N 4.2640 8.0305 119.1269 56.4490 38.2607 177.0578 26 D 4.3226 8.2370 120.6654 57.3085 40.8248 178.7539 27 F 3.8999 8.1094 121.4800 61.2590 39.3622 176.9645 28 N 4.2866 8.2824 115.9278 56.1740 38.2007 177.3009 29 A 3.9318 8.1010 122.3229 54.9030 18.4370 179.3756 30 F 4.1786 8.2064 119.3103 61.4646 39.3634 177.1335 31 R 3.2514 7.7026 118.6097 59.3100 29.7492 178.3398 32 S 3.9808 7.8591 112.6838 61.4380 62.3614 175.7177 33 D 4.3352 8.0943 121.7096 57.4049 40.4930 178.7563 34 F 3.8863 8.0947 121.3022 61.3293 39.3782 177.1818 35 Q 3.8641 8.3564 117.8220 58.8446 28.4130 178.7737 36 A 3.9167 7.9990 121.8026 54.9165 18.4115 179.3582 37 F 4.0361 8.1621 119.2685 61.3505 39.4408 177.1526 38 K 3.2313 7.6512 119.3991 59.5114 31.8915 178.4727 39 D 4.2663 7.9869 119.0677 57.1193 40.6279 178.1838 40 D 4.2578 8.0008 118.8132 57.2490 41.1601 178.1104 41 F 3.8180 8.1757 121.3213 61.1190 39.3385 176.9032 42 A 3.9460 8.1011 120.4744 55.0981 18.1012 179.6397 43 R 3.7606 7.9435 117.2598 59.3293 30.1333 178.4041 44 F 4.0945 8.1997 120.6407 61.3692 39.2631 176.5471 45 N 3.6765 7.9378 117.1319 56.4562 38.6918 176.7728 46 Q 3.8882 8.0094 119.0613 59.3155 28.6648 178.7642 47 R 3.8599 7.7301 120.0476 58.8639 30.0932 178.8455 48 F 3.9146 8.1104 120.8698 61.1554 39.3386 176.8096 49 D 4.2300 8.2193 118.8442 57.4874 40.3975 178.4691 50 N 4.2577 7.8750 116.3060 56.3635 39.1161 176.5717 51 F 4.1752 8.1127 121.8561 61.2789 39.5987 176.9556 52 A 3.4168 7.7666 120.6861 55.2948 17.5078 179.5611 53 T 3.7560 7.7147 114.0899 66.7259 68.3432 176.3078 54 K 4.1931 7.5606 117.3557 57.8250 32.3562 177.7209 55 Y 4.1088 7.4959 115.9854 57.9516 38.4506 175.6677 56 R 4.0760 7.4737 123.1584 56.4363 30.1282 176.3040 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 S 8.32 4.47 0.00 4.04 3.99 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 2 S 8.19 4.19 0.00 4.18 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 3 N 9.18 4.41 0.00 2.79 2.97 0.00 0.00 6.90 7.73 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 4 A 8.06 4.05 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.13 4.01 0.00 2.06 1.93 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 6 F 8.49 4.00 0.00 3.36 3.27 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 7 D 8.74 4.72 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 3.93 0.00 2.18 2.29 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 2.38 2.38 0.00 9 F 8.05 4.11 0.00 3.11 2.86 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 10 S 8.01 3.56 0.00 3.96 3.90 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 11 S 7.99 4.00 0.00 3.90 4.03 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 D 8.11 4.36 0.00 2.84 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 0.00 13 F 8.09 4.01 0.00 2.46 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.25 3.96 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 15 T 7.90 3.84 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 1.21 0.00 0.00 16 F 8.28 4.12 0.00 3.01 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 17 N 7.89 3.58 0.00 2.66 2.66 0.00 0.00 7.17 7.32 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 18 A 7.83 3.90 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 19 K 8.00 3.86 0.00 1.97 1.89 0.00 1.52 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 20 F 8.18 3.92 0.00 2.40 2.80 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 0.00 0.00 0.00 21 D 8.19 4.29 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.04 3.88 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 23 F 8.27 4.26 0.00 3.03 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 24 S 7.83 3.44 0.00 3.41 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 25 N 8.03 4.26 0.00 2.89 2.79 0.00 0.00 7.02 7.37 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 26 D 8.24 4.32 0.00 2.76 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 0.00 27 F 8.11 3.90 0.00 2.54 2.86 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 28 N 8.28 4.29 0.00 2.92 2.82 0.00 0.00 6.93 6.80 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 29 A 8.10 3.93 1.33 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 0.00 0.00 30 F 8.21 4.18 0.00 3.03 2.93 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 0.00 0.00 0.00 31 R 7.70 3.25 0.00 1.55 1.86 0.00 3.24 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 32 S 7.86 3.98 0.00 3.88 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 33 D 8.09 4.34 0.00 2.84 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 0.00 34 F 8.09 3.89 0.00 2.43 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 3.86 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 36 A 8.00 3.92 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 37 F 8.16 4.04 0.00 3.05 2.94 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 0.00 0.00 0.00 0.00 38 K 7.65 3.23 0.00 1.37 1.70 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.37 7.81 39 D 7.99 4.27 0.00 2.83 2.63 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 40 D 8.00 4.26 0.00 2.87 2.69 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 0.00 0.00 0.00 0.00 41 F 8.18 3.82 0.00 2.55 2.85 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 0.00 0.00 0.00 42 A 8.10 3.95 1.33 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 0.00 0.00 43 R 7.94 3.76 0.00 1.86 2.09 0.00 3.09 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 1.61 1.60 0.00 44 F 8.20 4.09 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 3.68 0.00 2.59 2.70 0.00 0.00 7.03 7.11 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 46 Q 8.01 3.89 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 47 R 7.73 3.86 0.00 1.98 1.98 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 48 F 8.11 3.91 0.00 2.35 2.69 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 0.00 0.00 0.00 0.00 49 D 8.22 4.23 0.00 2.82 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 50 N 7.87 4.26 0.00 2.66 2.96 0.00 0.00 7.22 6.43 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 51 F 8.11 4.18 0.00 3.02 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 52 A 7.77 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.71 3.76 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 1.16 0.00 0.00 54 K 7.56 4.19 0.00 1.80 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.28 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.65 7.81 55 Y 7.50 4.11 0.00 2.65 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 56 R 7.47 4.08 0.00 1.88 1.82 0.00 3.15 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00