NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2935 8.2493 123.5812 50.9308 19.9249 176.5439 7 P 4.2118 0.0000 0.0000 61.2215 31.8534 175.2923 8 D 4.7632 8.6922 123.6826 51.9053 43.9572 177.3932 9 F 3.9794 8.7467 119.7094 62.4702 39.1736 177.1977 10 H 4.5398 8.1454 114.8036 58.5823 28.3114 177.5442 11 D 4.2829 8.2899 120.4800 57.1909 40.8114 178.5835 12 K 3.7521 7.3946 117.4733 58.7955 32.3237 178.1843 13 Y 4.7484 7.5162 114.2338 56.8843 39.0258 177.6120 14 G 3.9628 7.8891 108.2136 48.5230 0.0000 175.6257 15 N 4.3914 8.1464 118.6357 55.2872 38.5996 177.4961 16 A 3.9333 7.9248 121.9157 55.1371 18.6151 179.2830 17 V 3.5457 7.8004 116.8288 66.2568 31.5345 177.8204 18 L 3.9451 8.1272 119.4409 58.3971 41.9834 178.8912 19 A 4.1090 7.9850 120.3899 55.0155 18.3069 179.8736 20 S 4.2345 8.8370 114.3410 61.5025 62.9399 176.8239 21 G 3.7871 8.4333 108.5000 48.1037 0.0000 175.5127 22 A 4.1667 8.1777 123.9166 54.8745 18.3675 179.8327 23 T 3.8440 8.0882 114.2772 66.7025 68.5667 176.3922 24 F 4.2469 8.6670 122.8603 61.7871 39.4932 176.8156 25 C 4.0206 8.6953 118.2867 62.6601 31.4784 175.8119 26 V 3.6694 7.8014 119.2021 65.7066 31.1084 177.9050 27 A 3.9955 8.0826 120.8390 55.2867 18.3516 180.1203 28 V 3.5622 7.7689 117.7946 64.3983 31.3917 178.7335 29 W 3.9534 8.1447 119.4771 59.5596 29.0166 178.4115 30 V 3.6674 7.8650 118.1172 66.2765 30.8705 177.2880 31 Y 4.0279 8.0176 118.9730 61.0007 38.4262 177.8316 32 M 3.9013 8.0703 117.4036 58.6814 32.4449 177.8583 33 A 4.7865 8.5780 120.2199 54.5651 18.6523 177.9713 34 T 4.6301 7.8905 103.8048 61.0718 70.1733 174.5122 35 Q 4.4308 8.0895 119.5428 55.5065 29.6044 175.6980 36 I 4.2010 7.4037 109.7031 59.8324 38.5096 175.0616 37 G 3.6474 7.9660 107.5563 46.8260 0.0000 174.1915 38 I 3.6715 7.4198 118.9049 60.1529 38.1363 175.9559 39 E 4.2009 8.2203 126.0430 54.9049 29.0948 176.0099 40 W 4.2221 8.6680 126.9040 57.2904 30.1890 175.9772 41 N 4.1006 8.0489 115.9531 53.9377 36.7150 170.7358 42 P 4.6235 0.0000 0.0000 61.5871 33.1954 176.6322 43 S 4.2167 8.3439 113.3167 57.8383 62.7411 172.5276 44 P 4.3074 0.0000 0.0000 64.8209 31.4697 176.4419 45 V 3.6277 7.2398 118.3550 64.4400 31.3141 176.3711 46 G 4.0207 9.0175 115.0649 45.6715 0.0000 173.4648 47 R 4.4227 8.1740 115.3694 56.1717 31.4356 176.4148 48 V 4.1777 7.5825 117.0120 61.2494 32.9163 174.8412 49 T 4.3769 8.2613 123.5480 61.4270 68.8481 173.0922 50 P 4.3767 0.0000 0.0000 62.5730 31.9802 175.7905 51 K 4.6893 8.2875 122.3767 53.9500 35.0418 175.5199 52 E 4.0883 8.8460 124.2985 56.6308 29.9009 176.8315 53 W 4.7149 8.0213 118.7687 57.3375 30.5212 175.3540 54 R 3.4123 6.4156 122.2075 55.9770 29.3141 175.6814 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 6 A 8.25 4.29 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 7 P 0.00 4.21 0.00 2.17 2.02 0.00 3.73 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 1.93 1.96 0.00 8 D 8.69 4.76 0.00 2.95 2.90 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 0.00 0.00 0.00 9 F 8.75 3.98 0.00 3.17 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 10 H 8.15 4.54 0.00 3.28 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.29 4.28 0.00 2.69 2.65 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 12 K 7.39 3.75 0.00 0.79 0.80 0.00 1.28 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 1.35 7.81 13 Y 7.52 4.75 0.00 2.22 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.89 3.96 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 0.00 15 N 8.15 4.39 0.00 2.74 2.89 0.00 0.00 6.88 8.04 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 16 A 7.92 3.93 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 17 V 7.80 3.55 2.32 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 1.18 0.00 0.00 1.11 0.00 0.00 18 L 8.13 3.95 0.00 1.84 1.83 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.99 4.11 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 20 S 8.84 4.23 0.00 4.00 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 21 G 8.43 3.79 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 0.00 0.00 0.00 22 A 8.18 4.17 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 23 T 8.09 3.84 4.42 0.00 0.00 0.00 0.00 0.00 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 24 F 8.67 4.25 0.00 3.10 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.70 4.02 0.00 3.22 3.13 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 26 V 7.80 3.67 2.18 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 0.98 0.00 0.00 0.96 0.00 0.00 27 A 8.08 4.00 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 28 V 7.77 3.56 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.69 0.00 0.00 29 W 8.14 3.95 0.00 3.50 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 30 V 7.86 3.67 2.29 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 1.05 0.00 0.00 0.98 0.00 0.00 31 Y 8.02 4.03 0.00 3.08 3.09 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 32 M 8.07 3.90 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 33 A 8.58 4.79 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.63 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 1.24 0.00 0.00 35 Q 8.09 4.43 0.00 1.09 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 36 I 7.40 4.20 1.78 0.00 0.00 0.78 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 0.55 0.70 0.00 0.00 37 G 7.97 3.65 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 0.00 38 I 7.42 3.67 1.46 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.37 -0.38 0.00 0.00 39 E 8.22 4.20 0.00 1.82 1.77 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 2.23 2.44 0.00 40 W 8.67 4.22 0.00 3.37 3.27 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 41 N 8.05 4.10 0.00 2.84 2.84 0.00 0.00 7.20 7.10 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 42 P 0.00 4.62 0.00 2.24 2.10 0.00 3.90 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 2.03 2.00 0.00 43 S 8.34 4.22 0.00 3.86 3.82 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 0.00 0.00 0.00 44 P 0.00 4.31 0.00 2.22 2.09 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.24 3.63 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.02 4.02 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 0.00 0.00 0.00 47 R 8.17 4.42 0.00 1.88 2.03 0.00 3.07 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 48 V 7.58 4.18 2.09 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.26 4.38 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 50 P 0.00 4.38 0.00 2.08 2.05 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.29 4.69 0.00 1.70 1.70 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.45 7.81 52 E 8.85 4.09 0.00 1.97 1.80 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 2.31 2.22 0.00 53 W 8.02 4.71 0.00 3.53 3.19 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 54 R 6.42 3.41 0.00 0.67 0.66 0.00 2.81 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.23 0.00