NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8654 8.1976 109.7376 46.6395 0.0000 174.2440 4 I 2.9402 8.2339 117.7085 62.2215 38.5487 173.9966 5 R 4.1281 10.6400 122.8838 55.9616 31.3273 177.3280 6 E 4.5666 8.8234 125.8305 55.1538 31.9675 175.6617 7 K 4.6631 8.4845 121.8696 56.4905 32.3579 177.2487 8 I 4.3961 8.7622 127.8245 60.5368 39.8186 175.3088 9 K 4.7355 8.2321 122.2366 56.4188 34.3345 175.5886 10 L 4.9592 8.6923 126.6166 53.5661 43.2983 176.3365 11 V 5.1305 9.3804 123.9516 60.7469 34.7291 174.6335 12 S 2.9097 8.6914 123.0667 58.0172 61.9751 174.2762 13 S 4.2330 8.0451 122.0188 61.2580 63.3126 174.7652 14 A 4.1229 7.8076 122.0106 50.9397 18.4863 176.2281 15 G 3.2341 8.6010 105.8939 47.4327 0.0000 175.3150 16 T 3.3192 7.5828 104.3806 61.0242 69.0361 173.9311 17 G 3.9373 8.5515 119.0735 46.1216 0.0000 172.5040 18 H 5.0020 7.7891 118.8561 55.2071 31.7121 173.7787 19 F 5.6942 7.7903 115.4524 56.6287 40.1589 173.0318 20 Y 4.2935 8.8551 118.9707 57.2769 40.4134 174.3548 21 T 4.7209 8.2776 114.3354 60.7864 69.8242 171.8872 22 T 4.5507 8.5755 126.8044 61.2998 71.8610 172.4197 23 T 5.8245 8.6508 109.0413 61.1731 71.7147 173.4684 24 K 4.6557 8.3802 120.9932 55.0730 37.1443 175.2869 25 N 4.5389 8.7460 119.9249 52.9711 37.9692 175.0308 26 K 3.8071 8.7365 127.7629 59.5442 31.6824 177.6019 27 R 4.0421 7.4039 117.8769 58.3247 30.3867 177.6484 28 T 4.0006 8.0050 113.6336 64.3537 69.4921 174.8407 29 K 4.6478 7.6095 120.1784 54.0219 32.3954 174.3613 30 P 4.4126 0.0000 0.0000 64.7271 32.1473 177.4274 31 E 4.0585 8.0707 117.6860 55.2926 29.7685 175.5103 32 K 4.1786 8.7239 123.7676 55.3059 31.7186 176.2700 33 L 4.1087 8.7139 128.2270 55.3163 42.9711 175.4527 34 E 5.2342 8.7023 125.4146 54.0800 33.0312 175.6020 35 L 4.6422 8.0820 123.2763 55.2639 43.3103 173.8997 36 K 4.5551 8.5407 120.8036 56.9972 33.0148 176.1297 37 K 4.3754 8.3017 119.9054 55.1819 37.3616 174.4651 38 F 4.7264 8.4711 124.3506 57.8799 40.2710 174.0634 39 D 4.6510 8.6496 127.4353 51.8993 41.6466 175.2626 40 P 4.0713 0.0000 0.0000 65.2077 31.8171 178.1056 41 V 3.7928 7.7805 111.3646 62.9035 31.6674 176.6938 42 V 4.1304 7.8194 117.4565 61.6181 32.2420 175.6414 43 R 4.1742 7.6660 116.2687 57.7123 28.4618 175.5629 44 Q 4.7775 7.0124 113.3661 54.5673 34.0262 174.4443 45 H 5.1234 8.8272 118.5201 55.4784 28.9355 175.1938 46 V 4.5421 8.3378 123.2179 60.4375 35.4053 174.7700 47 I 4.0672 8.3114 126.1441 62.0452 38.1258 174.4296 48 Y 4.8529 8.4803 124.3842 56.5151 40.1999 174.9219 49 K 4.7469 8.8567 123.5864 54.8621 36.6053 173.0918 50 E 4.2149 9.4018 119.9020 57.0666 31.2879 174.0417 51 A 4.7318 8.5175 124.2566 52.2622 20.6961 176.0685 52 K 4.2105 8.1574 123.7094 56.3105 32.1874 176.2921 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 3 G 8.20 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 4 I 8.23 2.94 1.87 0.00 0.00 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 1.30 0.65 0.91 0.00 0.00 5 R 10.64 4.13 0.00 1.86 2.01 0.00 3.26 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 6 E 8.82 4.57 0.00 1.99 1.85 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 2.40 2.29 0.00 7 K 8.48 4.66 0.00 1.66 1.80 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 8 I 8.76 4.40 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.42 0.96 0.00 0.00 9 K 8.23 4.74 0.00 1.79 1.86 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.38 7.81 10 L 8.69 4.96 0.00 1.74 1.79 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 V 9.38 5.13 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 0.98 0.00 0.00 1.03 0.00 0.00 12 S 8.69 2.91 0.00 3.50 3.59 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 0.00 13 S 8.05 4.23 0.00 3.86 4.18 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 14 A 7.81 4.12 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 15 G 8.60 3.23 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 0.00 16 T 7.58 3.32 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 1.22 0.00 0.00 17 G 8.55 3.94 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 0.00 0.00 0.00 18 H 7.79 5.00 0.00 3.34 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.79 5.69 0.00 3.47 3.06 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 20 Y 8.86 4.29 0.00 2.79 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 21 T 8.28 4.72 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 1.18 0.00 0.00 22 T 8.58 4.55 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 1.25 0.00 0.00 23 T 8.65 5.82 4.32 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 0.00 0.00 0.00 1.27 0.00 0.00 24 K 8.38 4.66 0.00 1.79 1.89 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.82 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.51 7.81 25 N 8.75 4.54 0.00 2.75 2.79 0.00 0.00 6.56 5.97 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 26 K 8.74 3.81 0.00 1.74 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.55 7.81 27 R 7.40 4.04 0.00 2.04 1.84 0.00 3.24 0.00 0.00 3.28 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 28 T 8.01 4.00 4.24 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 1.21 0.00 0.00 29 K 7.61 4.65 0.00 1.88 1.74 0.00 2.17 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.49 7.81 30 P 0.00 4.41 0.00 2.18 2.19 0.00 3.84 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 31 E 8.07 4.06 0.00 2.10 2.02 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 2.28 2.28 0.00 32 K 8.72 4.18 0.00 1.67 1.90 0.00 1.81 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.34 7.81 33 L 8.71 4.11 0.00 1.79 1.57 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.70 5.23 0.00 1.86 1.82 0.00 0.00 0.00 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 2.44 0.00 35 L 8.08 4.64 0.00 1.84 1.76 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.54 4.56 0.00 1.82 1.87 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.49 7.81 37 K 8.30 4.38 0.00 0.79 0.74 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.19 7.81 38 F 8.47 4.73 0.00 2.88 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 39 D 8.65 4.65 0.00 2.78 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.07 0.00 2.25 2.30 0.00 3.36 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 41 V 7.78 3.79 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 0.72 0.00 0.00 0.96 0.00 0.00 42 V 7.82 4.13 2.13 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 0.92 0.00 0.00 0.89 0.00 0.00 43 R 7.67 4.17 0.00 2.01 2.11 0.00 3.22 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 44 Q 7.01 4.78 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.62 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 45 H 8.83 5.12 0.00 3.14 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.34 4.54 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 0.86 0.00 0.00 0.89 0.00 0.00 47 I 8.31 4.07 1.86 0.00 0.00 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 1.36 0.66 0.93 0.00 0.00 48 Y 8.48 4.85 0.00 3.08 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 49 K 8.86 4.75 0.00 1.81 1.64 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.49 7.81 50 E 9.40 4.21 0.00 2.21 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 2.17 2.60 0.00 51 A 8.52 4.73 1.30 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 0.00 0.00 52 K 8.16 4.21 0.00 1.93 1.82 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81