NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3091 8.2649 123.5820 51.0260 19.6099 176.6314 7 P 4.3196 0.0000 0.0000 61.0795 32.0973 175.4984 8 D 4.8165 9.5123 124.3524 52.1429 43.9644 176.0614 9 F 4.0295 8.8368 119.5566 62.4749 39.0872 177.4120 10 H 4.4046 8.2127 114.9661 58.9225 28.4496 177.1907 11 D 4.3427 8.2807 119.5868 57.5166 40.7603 178.8543 12 K 3.8003 7.5871 117.3962 58.4436 32.3347 178.0901 13 Y 4.7197 7.4492 115.2433 58.1101 39.6339 178.9122 14 G 3.9992 7.9699 106.9451 47.5761 0.0000 176.0043 15 N 4.3861 8.1318 119.4339 55.4348 38.6395 177.4671 16 A 4.0173 7.9037 121.8680 54.8638 18.6562 179.6573 17 V 3.5501 8.2799 117.2680 66.0139 31.5780 177.8194 18 L 3.9528 8.1362 119.8255 58.1978 41.9677 178.6703 19 A 4.0173 8.2582 120.9122 55.4191 18.4381 179.7596 20 S 4.3832 8.5344 112.7417 60.8387 63.2649 176.7020 21 G 3.7037 8.2930 109.5600 47.8475 0.0000 175.3789 22 A 4.0790 8.2959 124.1412 54.9395 18.4143 179.8132 23 T 3.8394 8.0234 114.1026 66.7587 68.5190 176.4970 24 F 4.2335 8.7653 122.8697 61.5296 39.4137 176.6684 25 C 4.0329 8.3635 118.0697 62.5872 31.3904 175.6188 26 V 3.6398 7.8975 119.5870 65.9181 31.0260 177.8627 27 A 4.0076 8.1930 120.7550 55.2227 18.2291 180.0794 28 V 3.4854 7.7456 117.9085 64.6136 31.4038 178.6987 29 W 3.8779 8.2959 119.7243 59.2452 28.6108 178.6015 30 V 3.6683 8.2113 118.5156 66.1721 30.8964 177.4391 31 Y 4.0568 8.2685 119.1709 61.0429 38.5005 177.5545 32 M 3.8997 8.1601 117.5636 58.7775 32.3467 177.7646 33 A 4.7066 8.2799 119.8420 54.3032 18.7319 177.9668 34 T 4.6191 7.5433 104.1649 61.1479 70.2557 174.5165 35 Q 4.4035 8.1310 118.9922 55.3964 30.0966 175.7114 36 I 4.2075 7.7363 110.1572 60.3660 37.9146 176.2077 37 G 3.8754 8.2995 107.4222 45.6730 0.0000 174.0865 38 I 3.4044 7.3100 120.1829 60.9945 37.4279 175.1901 39 E 4.3877 8.1823 125.9403 54.3774 29.4270 175.5242 40 W 4.1044 8.7981 127.2021 57.3698 30.1490 176.0451 41 N 4.1963 8.8199 116.6862 53.9324 36.7056 171.4255 42 P 4.5433 0.0000 0.0000 61.9317 32.8993 176.6825 43 S 4.1256 8.5414 113.3467 58.4734 62.6557 172.9849 44 P 4.3789 0.0000 0.0000 64.5304 31.5279 176.7510 45 V 3.7340 7.4379 118.6803 64.0964 31.6050 176.2355 46 G 4.0189 8.9774 113.8236 46.0351 0.0000 173.9348 47 R 4.4882 8.4536 114.0105 55.2889 31.3226 175.6497 48 V 4.2450 7.6502 117.4873 61.0243 33.1645 174.8766 49 T 4.2561 8.3660 123.9507 61.9114 68.4219 172.9749 50 P 4.3966 0.0000 0.0000 62.5294 32.0041 175.8841 51 K 4.6795 8.2763 122.0099 53.9417 35.1144 175.5809 52 E 4.0249 8.8937 124.1329 56.8590 29.7424 176.9509 53 W 4.7031 7.9837 118.8266 56.5763 30.4806 175.4889 54 R 3.5301 6.7311 122.9336 56.1652 29.3673 175.6515 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 8.26 4.31 1.28 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 0.00 0.00 7 P 0.00 4.32 0.00 2.06 1.94 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 8 D 9.51 4.82 0.00 2.90 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 9 F 8.84 4.03 0.00 3.26 3.01 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 10 H 8.21 4.40 0.00 3.39 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.28 4.34 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 12 K 7.59 3.80 0.00 0.98 0.74 0.00 1.60 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.18 1.35 7.81 13 Y 7.45 4.72 0.00 2.16 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 14 G 7.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.39 0.00 2.74 2.88 0.00 0.00 6.86 7.49 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 16 A 7.90 4.02 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 17 V 8.28 3.55 2.20 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 1.08 0.00 0.00 1.13 0.00 0.00 18 L 8.14 3.95 0.00 1.90 1.86 0.95 0.94 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 8.26 4.02 1.37 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 0.00 0.00 20 S 8.53 4.38 0.00 4.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.08 1.39 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 0.00 0.00 0.00 23 T 8.02 3.84 4.51 0.00 0.00 0.00 0.00 0.00 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 8.77 4.23 0.00 3.14 3.39 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 0.00 25 C 8.36 4.03 0.00 3.31 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 7.90 3.64 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 1.06 0.00 0.00 0.96 0.00 0.00 27 A 8.19 4.01 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 28 V 7.75 3.49 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.70 0.00 0.00 29 W 8.30 3.88 0.00 3.51 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.67 2.24 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 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.27 4.06 0.00 3.10 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 32 M 8.16 3.90 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 33 A 8.28 4.71 1.57 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 0.00 0.00 34 T 7.54 4.62 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 8.13 4.40 0.00 0.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.20 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 36 I 7.74 4.21 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 1.38 0.56 0.64 0.00 0.00 37 G 8.30 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 0.00 0.00 0.00 38 I 7.31 3.40 1.56 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 1.01 0.38 -0.32 0.00 0.00 39 E 8.18 4.39 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 2.19 2.35 0.00 40 W 8.80 4.10 0.00 3.36 3.26 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 41 N 8.82 4.20 0.00 2.79 2.86 0.00 0.00 7.21 7.44 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 42 P 0.00 4.54 0.00 2.24 2.08 0.00 3.92 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 2.03 2.01 0.00 43 S 8.54 4.13 0.00 3.85 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 44 P 0.00 4.38 0.00 2.22 2.09 0.00 3.66 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 7.44 3.73 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 8.98 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 8.45 4.49 0.00 1.83 2.00 0.00 3.05 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 48 V 7.65 4.24 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 0.87 0.00 0.00 0.94 0.00 0.00 49 T 8.37 4.26 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 4.40 0.00 2.08 2.04 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 51 K 8.28 4.68 0.00 1.70 1.68 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.45 7.81 52 E 8.89 4.02 0.00 1.97 1.81 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 2.30 2.22 0.00 53 W 7.98 4.70 0.00 3.54 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 54 R 6.73 3.53 0.00 0.67 1.18 0.00 3.08 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.03 0.00