NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3810 8.1127 119.6568 56.1331 32.2960 173.6887 5 E 4.7375 8.3904 120.6203 53.1293 32.5940 173.6871 6 C 4.2032 9.6417 127.4551 59.7589 32.6937 173.6690 7 D 4.6279 8.6235 124.8476 55.1549 39.2058 175.5853 8 Y 4.5414 7.3871 117.9239 58.7136 41.6303 176.3095 9 C 3.9524 8.1502 114.5499 58.9163 30.7595 175.5777 10 G 3.9516 8.3887 107.2882 45.0786 0.0000 172.9721 11 T 4.5184 7.3835 110.1837 60.4203 71.0518 172.9319 12 D 4.9594 8.4258 121.6780 53.6469 41.7896 176.8489 13 I 3.9834 8.2754 125.2363 60.4245 37.3454 175.5560 14 E 3.8373 8.9794 128.8367 55.5912 29.5849 174.8929 15 P 4.1660 0.0000 0.0000 64.6299 31.4315 175.8477 16 G 3.8449 9.7464 107.9138 46.4693 0.0000 173.2447 17 T 4.4238 7.9414 112.6925 63.0539 72.4556 174.3291 18 G 4.1264 9.2610 109.2049 45.5669 0.0000 172.6235 19 T 4.7970 8.4149 113.5871 61.7166 72.8597 173.1576 20 M 4.9434 8.7550 124.0729 53.9263 34.4833 174.7367 21 F 4.8773 9.1555 130.2987 56.7695 40.7976 174.8443 22 V 3.9823 8.0009 127.3579 62.8075 31.6366 175.8209 23 H 4.0309 9.0173 125.8246 54.4159 29.8918 176.4535 24 K 3.9328 8.6396 121.4097 59.7914 31.9581 177.8130 25 D 4.4066 7.9365 116.4368 55.0423 39.5684 175.7773 26 G 3.4458 7.5283 107.9246 45.1282 0.0000 173.9902 27 A 4.1587 9.7118 123.5973 52.9441 19.7399 176.7041 28 T 4.7399 8.3419 114.9322 62.0680 72.1266 173.7112 29 T 4.6193 8.6248 122.8581 61.9527 71.5935 172.9766 30 H 4.9999 10.0183 125.4656 55.4171 30.3390 174.7886 31 F 5.3503 9.6995 121.9661 55.9453 41.4686 176.3445 32 C 4.4254 9.0949 116.5745 59.9390 30.4921 173.6820 33 S 4.6226 7.5822 114.2754 56.3116 66.2773 175.6035 34 S 4.7313 8.4048 118.5131 60.7730 62.7951 175.9348 35 K 3.7724 8.0978 123.0301 59.9295 31.7475 177.7186 36 C 4.2399 8.0247 115.7657 62.8610 28.0976 175.8873 37 E 2.7970 7.6526 119.8453 59.4769 28.8219 179.6949 38 N 4.1987 8.3376 115.3424 56.3592 38.9534 177.0295 39 N 4.5358 8.2161 117.6770 56.0742 38.5851 177.1328 40 A 4.2912 8.0256 122.5475 55.6689 18.3058 179.2852 41 D 4.0242 8.0218 115.9853 57.5228 40.9169 178.5423 42 L 4.3596 7.5172 116.4539 54.6839 41.6906 177.8419 43 G 3.9846 8.6917 108.0536 45.6286 0.0000 174.4178 44 R 4.3118 7.7553 117.7290 55.6195 31.1060 175.5925 45 E 4.5958 8.2676 118.9699 54.7472 32.1312 177.3863 46 A 3.2897 7.7075 126.9580 55.1546 18.8917 179.5747 47 R 3.7814 7.7017 113.9617 59.4014 30.1751 177.7041 48 N 4.3723 8.1794 113.4613 54.3908 39.0656 175.0164 49 L 4.3763 7.1436 119.7179 52.8728 41.5234 176.8374 50 E 3.8982 8.8926 124.9979 59.1489 29.4883 178.9603 51 W 4.4002 7.7634 113.5083 58.2227 28.9265 176.4463 52 T 3.8666 7.0676 117.9347 62.8651 68.7880 175.1046 53 D 4.3045 8.8746 125.9787 57.9226 40.5974 178.2962 54 T 3.6723 7.2563 113.3005 67.1091 68.9684 174.7688 55 A 3.9995 7.7697 124.8860 55.4581 18.7648 177.6755 56 R 4.0809 8.0228 118.4614 56.5790 30.0401 176.4411 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 4 R 8.11 4.38 0.00 1.78 1.89 0.00 3.02 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 5 E 8.39 4.74 0.00 1.94 1.75 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 2.16 2.46 0.00 6 C 9.64 4.20 0.00 3.07 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 7 D 8.62 4.63 0.00 2.66 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 8 Y 7.39 4.54 0.00 2.79 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 9 C 8.15 3.95 0.00 3.13 3.34 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 10 G 8.39 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 11 T 7.38 4.52 4.29 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 1.36 0.00 0.00 12 D 8.43 4.96 0.00 2.60 2.66 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 0.00 0.00 0.00 0.00 13 I 8.28 3.98 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 0.97 0.00 0.00 14 E 8.98 3.84 0.00 1.93 1.94 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 2.32 2.41 0.00 15 P 0.00 4.17 0.00 2.22 2.09 0.00 3.92 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 2.01 2.01 0.00 16 G 9.75 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 0.00 0.00 0.00 17 T 7.94 4.42 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 G 9.26 4.13 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 0.00 0.00 0.00 19 T 8.41 4.80 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 1.28 0.00 0.00 20 M 8.76 4.94 0.00 1.96 1.85 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 1.88 2.34 0.00 21 F 9.16 4.88 0.00 3.27 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 3.98 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 0.72 0.00 0.00 0.86 0.00 0.00 23 H 9.02 4.03 0.00 3.21 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.64 3.93 0.00 1.74 1.86 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 7.94 4.41 0.00 2.81 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 26 G 7.53 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 9.71 4.16 1.15 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 0.00 0.00 28 T 8.34 4.74 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 1.22 0.00 0.00 29 T 8.62 4.62 4.38 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 0.74 0.00 0.00 30 H 10.02 5.00 0.00 3.18 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.70 5.35 0.00 2.98 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 32 C 9.09 4.43 0.00 3.16 3.16 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 0.00 33 S 7.58 4.62 0.00 4.05 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 34 S 8.40 4.73 0.00 3.97 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 35 K 8.10 3.77 0.00 1.77 1.89 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.46 1.40 7.81 36 C 8.02 4.24 0.00 3.40 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 37 E 7.65 2.80 0.00 1.76 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 1.47 1.64 0.00 38 N 8.34 4.20 0.00 2.76 2.81 0.00 0.00 7.19 8.60 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 39 N 8.22 4.54 0.00 3.12 3.18 0.00 0.00 6.88 7.71 0.00 0.00 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 A 8.03 4.29 1.22 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 0.00 0.00 41 D 8.02 4.02 0.00 2.71 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 42 L 7.52 4.36 0.00 1.88 1.73 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.69 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 0.00 0.00 0.00 44 R 7.76 4.31 0.00 2.19 2.01 0.00 3.29 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 45 E 8.27 4.60 0.00 1.92 1.76 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 2.32 2.28 0.00 46 A 7.71 3.29 0.58 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 47 R 7.70 3.78 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 48 N 8.18 4.37 0.00 2.67 2.85 0.00 0.00 7.02 8.70 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 49 L 7.14 4.38 0.00 0.97 1.02 1.17 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.89 3.90 0.00 2.03 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 0.00 2.32 2.33 0.00 51 W 7.76 4.40 0.00 3.60 3.24 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 52 T 7.07 3.87 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 0.94 0.00 0.00 53 D 8.87 4.30 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 54 T 7.26 3.67 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 1.08 0.00 0.00 55 A 7.77 4.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.08 0.00 1.89 1.84 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00