NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.4731 8.3049 120.3296 54.4357 34.2817 175.8353 21 P 3.9910 0.0000 0.0000 62.3163 32.0956 174.1648 22 D 4.7087 8.4940 122.0110 53.0272 43.0801 177.0226 23 W 4.3974 8.9310 125.8045 59.6431 28.1867 178.5413 24 R 3.0796 6.7691 118.4273 58.8660 29.5050 178.5794 25 Q 4.0032 8.3991 119.5569 58.8510 28.5806 177.9841 26 F 4.1691 8.1256 121.4041 61.6250 39.4729 176.9361 27 C 3.9973 8.2405 116.2272 62.8629 27.8707 176.0616 28 E 3.8630 8.3339 120.4401 59.1076 28.5073 179.1321 29 L 3.8313 7.8900 120.4768 58.5154 42.2658 178.8055 30 H 4.2736 7.6356 115.4201 58.4958 28.5539 177.6663 31 A 3.9016 8.0835 122.8948 54.7993 18.1438 179.4712 32 Q 3.7718 8.1945 118.1222 59.3312 29.1875 178.3775 33 A 3.9814 7.6590 120.8553 55.1237 18.4076 179.4762 34 A 3.9662 7.9630 118.8090 55.2283 18.4443 179.7836 35 A 3.8055 8.1899 119.6147 55.0279 18.4690 180.1054 36 V 3.3913 7.8081 116.8637 65.9827 31.6422 177.5506 37 D 4.3636 7.9849 117.7436 57.6819 41.0953 178.2290 38 F 4.3506 8.3250 120.6576 61.1019 39.3099 176.9179 39 A 3.8541 8.0399 120.6807 55.3601 18.1414 179.3681 40 H 4.2683 7.9863 114.6090 58.9445 28.7960 178.2522 41 K 4.0551 8.0760 120.3931 59.1061 31.8237 179.2800 42 F 3.8559 8.2248 121.4182 61.5279 39.3364 177.0188 43 C 3.8332 8.1020 116.2848 62.6775 27.7514 176.2079 44 R 3.8469 7.9189 120.3703 59.2763 29.6967 178.3183 45 F 4.0368 8.0966 120.5264 61.2790 38.8102 177.1415 46 L 3.9704 7.6047 118.6532 57.3388 41.1414 179.3356 47 R 3.8121 7.5799 118.0379 59.5976 30.1610 178.1324 48 D 4.5396 8.0695 117.1233 55.7383 42.5426 176.6170 49 N 4.9006 7.5883 116.6546 50.1569 39.0600 173.2192 50 P 4.4304 0.0000 0.0000 63.7304 32.1377 178.5755 51 A 4.0480 7.9767 122.6565 55.7424 18.4708 178.8439 52 Y 4.2757 7.7094 109.6696 59.1764 37.8373 175.7112 53 D 4.5501 7.6311 121.6023 53.8895 41.0682 175.3173 54 T 4.7246 8.0375 115.3818 59.7782 71.4247 172.9189 55 P 4.4656 0.0000 0.0000 64.6446 31.8496 176.8535 56 D 4.6094 7.8242 115.9838 55.2720 42.2537 177.8957 57 A 4.4220 8.2422 121.8476 55.4853 18.1917 179.3687 58 G 3.2077 8.3768 103.1405 47.9597 0.0000 175.2579 59 A 3.9812 7.9530 123.0050 54.7680 18.5068 179.4796 60 S 4.1819 8.0620 113.2102 61.9908 62.9305 176.9939 61 F 4.1705 9.0880 120.7262 60.7484 38.7179 177.8444 62 S 4.2279 8.4111 113.9443 61.6064 62.6486 176.5094 63 R 3.8783 8.4296 122.5995 59.4154 29.8730 177.9703 64 H 4.0862 8.4141 118.1019 59.0381 29.8133 176.8156 65 F 3.8091 8.5911 122.4637 61.2925 39.2140 176.7445 66 A 4.1633 8.4673 120.1344 55.2737 18.0566 179.3533 67 A 3.9497 8.1400 119.0445 55.5072 18.4148 179.4498 68 N 4.1758 8.0368 115.5228 56.4564 38.8639 176.5906 69 F 3.8725 8.5140 122.5879 61.4838 39.3341 177.0279 70 L 3.9725 8.2486 118.2810 57.9440 41.2630 179.3149 71 D 4.3648 7.7895 118.4188 57.5440 40.8537 179.0009 72 V 3.7317 7.9061 120.2068 65.1850 31.3648 177.5801 73 F 3.8878 8.2349 120.9305 61.3321 39.2224 177.2616 74 G 3.5847 7.8903 105.0948 47.8014 0.0000 175.3208 75 E 3.8501 7.7583 120.9194 59.1599 29.5633 179.0603 76 E 3.8225 8.3488 119.6458 59.2542 29.5749 178.9407 77 V 3.3745 7.5051 118.2970 65.8083 31.2265 178.1842 78 R 3.8149 7.4678 116.7092 59.3161 30.0310 178.7197 79 R 4.0200 7.5064 116.2768 59.4185 30.3838 179.0451 80 V 3.7557 7.7549 117.7056 65.8226 31.2651 177.6886 81 L 4.1947 7.7549 115.7798 54.7275 41.4355 177.4366 82 V 3.9981 7.6523 125.1126 62.0729 31.4995 174.4762 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 20 M 8.30 4.47 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 21 P 0.00 3.99 0.00 2.12 2.03 0.00 3.68 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 2.03 2.14 0.00 22 D 8.49 4.71 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.93 4.40 0.00 3.75 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 24 R 6.77 3.08 0.00 1.51 1.52 0.00 2.77 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 25 Q 8.40 4.00 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 26 F 8.13 4.17 0.00 3.26 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.24 4.00 0.00 3.16 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 28 E 8.33 3.86 0.00 1.89 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 2.21 2.47 0.00 29 L 7.89 3.83 0.00 1.72 1.48 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 30 H 7.64 4.27 0.00 2.98 3.19 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.08 3.90 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 32 Q 8.19 3.77 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 33 A 7.66 3.98 1.34 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 0.00 0.00 34 A 7.96 3.97 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 0.00 0.00 0.00 0.00 0.00 35 A 8.19 3.81 1.25 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 0.00 0.00 0.00 36 V 7.81 3.39 2.06 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 0.99 0.00 0.00 0.95 0.00 0.00 37 D 7.98 4.36 0.00 3.01 2.91 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 38 F 8.32 4.35 0.00 2.91 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 39 A 8.04 3.85 1.27 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 0.00 0.00 40 H 7.99 4.27 0.00 3.37 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.08 4.06 0.00 1.96 1.92 0.00 2.00 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.69 7.81 42 F 8.22 3.86 0.00 2.37 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 43 C 8.10 3.83 0.00 3.14 2.91 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 44 R 7.92 3.85 0.00 1.99 2.13 0.00 3.14 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 1.79 1.63 0.00 45 F 8.10 4.04 0.00 3.22 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.97 0.00 1.42 1.48 0.53 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.58 3.81 0.00 1.82 2.13 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 48 D 8.07 4.54 0.00 2.50 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.59 4.90 0.00 2.38 2.62 0.00 0.00 6.56 8.05 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 50 P 0.00 4.43 0.00 2.13 2.14 0.00 3.30 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 51 A 7.98 4.05 1.20 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 0.00 0.00 52 Y 7.71 4.28 0.00 3.22 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 53 D 7.63 4.55 0.00 2.53 2.74 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 54 T 8.04 4.72 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 1.26 0.00 0.00 55 P 0.00 4.47 0.00 2.09 2.17 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 56 D 7.82 4.61 0.00 2.80 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 57 A 8.24 4.42 1.64 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 0.00 0.00 58 G 8.38 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 3.98 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 60 S 8.06 4.18 0.00 4.44 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 0.00 61 F 9.09 4.17 0.00 2.87 3.35 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 62 S 8.41 4.23 0.00 3.99 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 63 R 8.43 3.88 0.00 1.97 2.23 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 64 H 8.41 4.09 0.00 3.41 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.59 3.81 0.00 2.86 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.47 4.16 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 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 68 N 8.04 4.18 0.00 2.81 2.73 0.00 0.00 6.90 7.81 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 69 F 8.51 3.87 0.00 3.04 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 70 L 8.25 3.97 0.00 1.93 1.77 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.79 4.36 0.00 2.79 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 72 V 7.91 3.73 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 1.04 0.00 0.00 0.87 0.00 0.00 73 F 8.23 3.89 0.00 2.61 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.89 3.58 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 0.00 75 E 7.76 3.85 0.00 2.03 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 2.27 2.52 0.00 76 E 8.35 3.82 0.00 1.96 1.71 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 0.00 2.21 2.23 0.00 77 V 7.51 3.37 1.69 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 0.89 0.00 0.00 0.07 0.00 0.00 78 R 7.47 3.81 0.00 1.98 1.92 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 79 R 7.51 4.02 0.00 1.86 1.95 0.00 3.10 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 80 V 7.75 3.76 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 0.99 0.00 0.00 0.89 0.00 0.00 81 L 7.75 4.19 0.00 1.59 1.62 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.65 4.00 2.05 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 0.72 0.00 0.00 0.91 0.00 0.00