NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0166 8.0501 120.3919 62.7996 32.6754 174.2066 2 A 4.6251 8.0307 126.1297 48.9585 22.2862 173.6626 3 P 4.3894 0.0000 0.0000 62.2617 33.1187 176.1037 4 T 4.0221 8.4232 118.9628 63.6596 70.3707 175.1012 5 L 3.9643 8.5691 122.9588 58.3825 41.5839 179.9061 6 T 3.8722 7.9812 108.6295 65.1065 68.6027 175.9491 7 A 3.9100 8.0184 123.7259 54.4709 18.4522 179.5350 8 R 3.7953 8.1895 116.5996 59.3206 30.1865 178.5931 9 L 3.6646 7.8256 120.0020 58.7818 41.9306 177.9656 10 Y 3.4908 8.4499 119.4137 61.0882 38.4605 178.3016 11 S 4.3313 8.4594 114.7369 60.3435 63.3281 175.2822 12 L 4.2566 7.3765 123.2313 56.4396 42.3231 176.7718 13 L 4.6385 7.7248 116.1398 54.7937 44.0898 177.3121 14 F 4.9981 7.7430 115.6633 58.5159 39.5587 176.6407 15 R 3.6131 7.6223 119.4685 60.0502 30.1861 176.6276 16 R 4.1590 7.7618 118.0482 55.7362 31.0191 177.4326 17 T 4.0254 8.6324 115.8858 64.8927 68.4323 176.0017 18 S 4.1468 8.1291 115.6409 61.6033 62.3659 176.1481 19 T 3.9055 7.9119 111.8953 64.6907 68.5279 175.9484 20 F 4.1300 8.7964 123.7252 61.3704 39.3882 176.4046 21 A 4.0546 9.3097 121.2486 55.1692 18.1339 179.5657 22 L 3.6848 8.2050 116.9852 58.6282 42.6173 179.1404 23 T 3.7022 8.4042 115.3095 67.2323 68.4612 175.9044 24 I 3.5380 7.7914 120.7741 64.7300 37.0364 178.3887 25 V 3.5212 8.0623 118.9412 66.1333 31.3213 178.1200 26 V 3.6949 7.8935 117.7140 66.0637 31.4290 178.2244 27 G 3.5981 8.5054 105.5554 47.7815 0.0000 175.2719 28 A 4.2090 8.5793 123.4511 55.1099 18.0913 179.2641 29 L 4.0873 7.7453 118.6481 58.0569 42.4395 178.7304 30 F 4.1078 8.8660 117.5897 60.8768 38.9698 177.7393 31 F 4.1963 9.0813 120.5460 61.1040 39.1513 176.4373 32 E 4.0866 8.2276 117.4982 60.1333 29.0523 179.4930 33 R 3.8715 7.8358 119.3062 58.3695 30.0721 179.0955 34 A 3.8425 7.7750 120.0464 54.9154 18.3140 179.1096 35 F 3.9475 7.8302 119.5438 61.6032 39.2022 177.0191 36 D 4.4667 8.4788 118.4324 57.4447 40.8033 178.3781 37 Q 4.0763 8.1644 120.0724 59.2606 28.9447 178.9931 38 G 3.3802 8.7933 107.2659 47.7153 0.0000 175.4617 39 A 3.7353 8.2334 125.0623 54.6668 18.1983 179.1346 40 D 4.2566 8.7539 118.1262 57.5303 40.8969 178.5674 41 A 3.9720 7.8097 120.6146 55.6350 18.1242 179.3369 42 I 3.6246 7.7862 116.9197 65.0006 37.4773 177.4621 43 Y 4.1699 8.0924 119.6939 61.0140 38.3321 177.8861 44 E 3.9541 8.7457 119.5869 59.8103 29.3326 179.0058 45 H 4.0829 8.7140 117.8245 59.3791 30.0282 177.2077 46 I 3.8181 7.8073 120.2908 62.7224 38.5205 175.9678 47 N 4.9246 7.3874 116.2324 51.3021 38.6141 173.7525 48 E 3.8080 7.8204 117.7799 57.3468 30.3388 178.1870 49 G 3.8855 7.8505 110.9095 45.9428 0.0000 174.2567 50 K 4.2039 7.8180 118.7801 57.6216 32.7138 177.1256 51 L 5.1083 7.8200 118.7126 52.5223 43.8933 177.4391 52 W 4.4792 9.5393 120.3361 59.6567 28.5131 177.8111 53 K 3.0013 5.8430 118.5938 59.5052 31.2564 177.7808 54 H 4.3338 7.7200 114.5904 58.0113 29.0631 176.8728 55 I 4.3184 7.7802 119.8315 60.9228 37.3696 177.3430 56 K 4.0507 7.9882 121.0074 59.4284 32.4380 177.2249 57 H 4.4863 8.5788 115.0027 58.0626 28.3870 176.1035 58 K 3.8177 7.0902 115.3554 59.9254 32.7823 176.6781 59 Y 4.3248 7.6782 121.4463 54.9841 37.8186 175.5193 60 E 4.4074 7.1334 118.4668 55.1636 32.5650 175.2328 61 N 4.0964 9.5780 123.1977 54.3080 36.8768 173.8530 62 K 4.0143 7.5782 119.9731 56.7126 31.9361 176.3695 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 V 8.05 4.02 2.07 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 0.96 0.00 0.00 0.93 0.00 0.00 2 A 8.03 4.63 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 3 P 0.00 4.39 0.00 2.12 1.98 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 4 T 8.42 4.02 4.23 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 1.26 0.00 0.00 5 L 8.57 3.96 0.00 1.69 1.74 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.98 3.87 4.34 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 1.28 0.00 0.00 7 A 8.02 3.91 1.29 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 0.00 0.00 0.00 8 R 8.19 3.80 0.00 2.09 1.95 0.00 3.14 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 9 L 7.83 3.66 0.00 1.85 1.65 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.45 3.49 0.00 3.11 3.02 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 0.00 0.00 0.00 0.00 11 S 8.46 4.33 0.00 4.13 4.12 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 0.00 0.00 0.00 0.00 12 L 7.38 4.26 0.00 1.72 1.61 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.72 4.64 0.00 1.43 1.65 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.74 5.00 0.00 2.60 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 15 R 7.62 3.61 0.00 1.69 1.91 0.00 3.30 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 16 R 7.76 4.16 0.00 1.91 1.88 0.00 3.20 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 17 T 8.63 4.03 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 18 S 8.13 4.15 0.00 3.92 3.92 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 19 T 7.91 3.91 4.26 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 1.23 0.00 0.00 20 F 8.80 4.13 0.00 3.08 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 21 A 9.31 4.05 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 22 L 8.21 3.68 0.00 1.99 1.79 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.40 3.70 4.35 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 1.11 0.00 0.00 24 I 7.79 3.54 1.88 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.18 0.86 0.00 0.00 25 V 8.06 3.52 2.21 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 1.00 0.00 0.00 0.99 0.00 0.00 26 V 7.89 3.69 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 0.60 0.00 0.00 0.88 0.00 0.00 27 G 8.51 3.60 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 0.00 0.00 0.00 28 A 8.58 4.21 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 29 L 7.75 4.09 0.00 1.87 2.07 1.06 1.04 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 30 F 8.87 4.11 0.00 3.12 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 31 F 9.08 4.20 0.00 3.10 3.15 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 32 E 8.23 4.09 0.00 2.27 2.50 0.00 0.00 0.00 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 2.43 0.00 33 R 7.84 3.87 0.00 1.89 1.93 0.00 3.04 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 34 A 7.78 3.84 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 35 F 7.83 3.95 0.00 1.98 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 36 D 8.48 4.47 0.00 2.69 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 37 Q 8.16 4.08 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 38 G 8.79 3.38 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 0.00 39 A 8.23 3.74 0.65 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 0.00 0.00 40 D 8.75 4.26 0.00 2.67 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 41 A 7.81 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.79 3.62 2.03 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 1.50 0.77 0.92 0.00 0.00 43 Y 8.09 4.17 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 44 E 8.75 3.95 0.00 2.08 2.04 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 2.44 2.51 0.00 45 H 8.71 4.08 0.00 3.04 3.51 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.81 3.82 1.69 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 1.53 0.78 0.86 0.00 0.00 47 N 7.39 4.92 0.00 2.58 2.63 0.00 0.00 6.83 7.33 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 48 E 7.82 3.81 0.00 1.81 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 2.24 2.09 0.00 49 G 7.85 3.89 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 0.00 0.00 0.00 50 K 7.82 4.20 0.00 1.97 1.93 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.39 7.81 51 L 7.82 5.11 0.00 1.56 2.10 1.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 W 9.54 4.48 0.00 3.50 3.37 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 0.00 0.00 0.00 0.00 53 K 5.84 3.00 0.00 0.79 1.01 0.00 1.43 0.00 0.00 1.29 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.04 1.12 7.81 54 H 7.72 4.33 0.00 3.22 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.78 4.32 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.98 0.00 0.00 56 K 7.99 4.05 0.00 1.73 1.75 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.51 7.81 57 H 8.58 4.49 0.00 3.21 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.09 3.82 0.00 2.04 2.00 0.00 1.64 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.67 7.81 59 Y 7.68 4.32 0.00 2.98 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 60 E 7.13 4.41 0.00 2.14 2.21 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 2.39 2.25 0.00 61 N 9.58 4.10 0.00 2.81 2.81 0.00 0.00 7.31 6.68 0.00 0.00 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 K 7.58 4.01 0.00 1.86 1.74 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.42 7.81