NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2515 8.2393 120.8642 55.8072 31.7990 175.7572 2 P 4.2593 0.0000 0.0000 60.7896 32.2042 173.4347 3 D 4.2279 8.4208 117.8213 54.3280 41.9117 177.9879 4 F 4.3439 8.6776 122.7661 59.6286 38.0323 177.8663 5 C 4.5889 8.0450 118.4864 58.9416 39.9860 174.1271 6 L 4.5190 7.7965 118.1627 54.4035 41.8036 176.4183 7 E 4.3539 7.8537 119.2151 54.7117 30.2482 174.9999 8 P 4.3830 0.0000 0.0000 61.5905 32.0673 174.4333 9 P 3.5899 0.0000 0.0000 62.7967 31.3244 175.1600 10 Y 4.5755 7.9129 122.0192 56.0615 40.0205 175.3540 11 T 4.1905 8.2492 125.4492 65.1436 68.8505 176.2174 12 G 3.8703 6.8300 104.7348 44.0949 0.0000 171.3536 13 P 4.3178 0.0000 0.0000 65.1384 32.0324 177.9934 14 C 4.4801 7.9163 116.1456 57.0403 40.8700 173.7980 15 V 4.1661 7.9207 113.7930 60.9864 31.6504 175.7041 16 A 4.3687 7.6497 121.8946 50.9972 21.3731 177.8524 17 R 4.6442 8.1586 118.5297 54.3081 29.8526 172.6697 18 I 4.4236 8.3804 122.6833 59.0377 39.7676 174.7584 19 I 4.3221 8.2841 128.2650 61.0304 37.9051 175.3457 20 R 4.8279 8.4036 124.8373 54.7446 35.0937 173.4987 21 Y 5.6144 9.5407 117.6493 56.6720 41.0945 175.3600 22 F 5.7075 9.5626 116.5500 55.5353 42.0596 172.7507 23 Y 4.4248 10.1038 122.9915 57.2206 39.5936 174.5973 24 N 4.6237 8.0538 126.5555 51.6575 38.8369 175.0009 25 A 3.8049 8.4083 129.6578 54.6726 18.9486 178.7921 26 K 3.9959 7.9270 116.4246 58.9565 32.2946 177.5099 27 A 4.2907 7.9921 119.1183 51.4029 19.5988 176.7832 28 G 3.8655 8.2784 103.9192 45.6554 0.0000 173.3873 29 L 4.5689 6.8293 116.8488 54.2299 44.0240 174.6866 30 C 4.8766 8.6760 118.0977 56.8609 38.7318 173.0603 31 Q 4.8843 8.7149 122.4679 54.0806 32.6682 174.6209 32 T 4.9260 8.3345 110.5823 61.2444 70.7823 173.6393 33 F 4.9696 8.8244 116.9824 56.1023 42.0496 172.7729 34 V 4.3648 8.4060 119.6617 61.9645 32.1588 174.0989 35 Y 4.8118 8.8899 130.0104 55.9776 40.4601 176.3856 36 G 3.9531 8.3271 113.5153 46.1819 0.0000 174.9895 37 G 3.8011 6.3356 107.5376 45.3271 0.0000 172.3785 38 C 5.0000 6.8090 111.2495 54.5304 44.5349 173.0291 39 R 3.8668 8.8574 115.9227 56.9384 27.1341 176.8410 40 A 4.2373 8.4416 119.1193 52.6572 18.8664 178.3186 41 K 4.3838 8.2010 120.4131 54.6871 34.2207 177.1254 42 R 3.5870 8.0502 117.9653 58.9401 30.3933 177.6109 43 N 4.7771 7.8395 117.9646 51.3792 37.4149 174.1968 44 N 5.0535 6.4955 116.4943 52.8148 41.6041 173.0943 45 F 5.0690 9.5130 124.7152 55.6436 42.4539 176.4597 46 K 4.5458 8.8433 121.3645 58.0227 32.7765 177.5976 47 S 4.4741 7.6684 112.7331 55.7001 66.9829 174.6907 48 A 3.3072 7.4325 124.3408 54.9603 18.0838 179.9458 49 E 3.7816 7.8028 116.6829 59.6484 29.6081 179.1588 50 D 4.2751 8.0078 118.8609 57.3006 40.8965 177.9723 51 C 2.4500 7.6358 118.6819 59.1069 44.8205 175.6945 52 L 3.8259 7.8709 120.8225 57.6785 40.9378 179.4836 53 R 3.7911 7.6028 117.7010 59.5884 30.0624 178.3573 54 T 4.1679 7.4138 114.3522 65.6355 69.0891 174.9509 55 C 4.4844 8.2700 115.7788 55.7696 41.9162 174.1294 56 G 3.8092 7.4380 109.6856 47.3574 0.0000 174.1809 57 G 3.8426 8.8747 112.2633 44.9218 0.0000 173.1133 58 A 4.0180 7.1534 127.2093 52.4114 18.2217 177.2887 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 R 8.24 4.25 0.00 1.80 2.03 0.00 3.21 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 2 P 0.00 4.26 0.00 2.31 2.08 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 3 D 8.42 4.23 0.00 2.63 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 4 F 8.68 4.34 0.00 3.25 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 5 C 8.04 4.59 0.00 2.86 3.11 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 0.00 6 L 7.80 4.52 0.00 1.74 1.74 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.85 4.35 0.00 2.14 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 2.41 2.44 0.00 8 P 0.00 4.38 0.00 2.09 2.02 0.00 3.78 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 1.98 1.95 0.00 9 P 0.00 3.59 0.00 0.56 0.49 0.00 3.29 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 10 Y 7.91 4.58 0.00 2.84 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 11 T 8.25 4.19 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 1.18 0.00 0.00 12 G 6.83 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 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.18 2.20 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 14 C 7.92 4.48 0.00 2.81 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 15 V 7.92 4.17 2.03 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 0.66 0.00 0.00 0.88 0.00 0.00 16 A 7.65 4.37 1.17 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 0.00 0.00 17 R 8.16 4.64 0.00 1.73 1.76 0.00 3.33 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 18 I 8.38 4.42 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.98 0.00 0.00 19 I 8.28 4.32 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.42 0.74 0.00 0.00 20 R 8.40 4.83 0.00 0.93 1.95 0.00 3.44 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 21 Y 9.54 5.61 0.00 3.17 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 22 F 9.56 5.71 0.00 3.13 2.89 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 23 Y 10.10 4.42 0.00 3.02 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 24 N 8.05 4.62 0.00 2.22 2.45 0.00 0.00 6.65 8.36 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 25 A 8.41 3.80 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.93 4.00 0.00 1.68 2.01 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 27 A 7.99 4.29 1.19 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 0.00 0.00 0.00 28 G 8.28 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 0.00 0.00 0.00 29 L 6.83 4.57 0.00 1.67 1.67 0.76 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.68 4.88 0.00 2.91 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.71 4.88 0.00 1.25 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 32 T 8.33 4.93 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 0.60 0.00 0.00 33 F 8.82 4.97 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 4.36 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.89 4.81 0.00 2.55 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 36 G 8.33 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 37 G 6.34 3.80 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 0.00 0.00 0.00 38 C 6.81 5.00 0.00 3.06 2.98 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 39 R 8.86 3.87 0.00 2.27 2.23 0.00 3.45 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 40 A 8.44 4.24 1.01 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 0.00 0.00 41 K 8.20 4.38 0.00 1.71 1.67 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.07 1.06 7.81 42 R 8.05 3.59 0.00 0.98 0.66 0.00 2.35 0.00 0.00 2.83 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.26 0.00 43 N 7.84 4.78 0.00 3.20 2.88 0.00 0.00 6.69 7.79 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 44 N 6.50 5.05 0.00 2.67 2.57 0.00 0.00 7.09 7.02 0.00 0.00 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 9.51 5.07 0.00 3.29 2.98 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 46 K 8.84 4.55 0.00 1.83 1.94 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 S 7.67 4.47 0.00 4.01 3.88 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 48 A 7.43 3.31 0.96 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 0.00 0.00 49 E 7.80 3.78 0.00 1.97 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 2.34 2.39 0.00 50 D 8.01 4.28 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 51 C 7.64 2.45 0.00 2.84 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 52 L 7.87 3.83 0.00 1.59 1.61 0.86 0.94 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 53 R 7.60 3.79 0.00 1.85 2.00 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 54 T 7.41 4.17 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 55 C 8.27 4.48 0.00 2.72 2.28 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 0.00 56 G 7.44 3.81 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 0.00 0.00 0.00 57 G 8.87 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 0.00 0.00 0.00 58 A 7.15 4.02 0.91 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 0.00 0.00