NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3580 8.2549 120.8622 56.3836 31.0414 174.1500 3 E 4.1555 8.7220 111.0274 57.0560 32.3220 174.0676 4 I 3.4396 8.4567 120.5389 61.2926 38.9938 175.1862 5 K 4.1258 8.5999 128.0478 57.9903 32.7012 177.0536 6 G 4.1162 6.7181 102.5665 46.3742 0.0000 170.0985 7 Y 5.0250 8.6718 117.9764 56.7482 42.8798 174.6118 8 E 5.0354 8.1896 117.6147 56.1389 33.5334 174.6907 9 Y 4.6125 9.0182 122.9151 56.4222 40.6213 175.1791 10 Q 5.2063 8.6932 122.4490 54.2823 27.8152 175.0272 11 L 4.6350 8.3513 124.3442 53.7731 45.0193 174.5585 12 Y 4.7642 8.4887 116.3174 56.7750 41.1808 175.3929 13 V 4.5129 9.1843 125.1799 61.2295 34.3588 173.8561 14 Y 5.0337 8.9956 125.8339 57.0880 38.8780 175.0132 15 A 4.7685 9.1450 127.1056 51.7236 22.2523 175.8969 16 S 3.6653 9.4329 118.0975 60.8132 60.4676 171.9557 17 D 4.7686 8.6001 113.3562 55.0230 38.9494 173.9444 18 K 4.3365 7.9501 116.5171 54.2117 35.5945 175.1145 19 L 4.2610 7.5272 124.4503 54.1792 43.1730 175.4602 20 F 5.1356 9.0850 125.0086 55.5912 43.2874 174.7206 21 R 4.4018 8.2855 118.9235 54.8253 32.6399 173.8668 22 A 5.0975 7.7976 125.9319 50.3436 22.8188 175.0686 23 D 5.0786 8.7089 118.0836 52.9418 44.8951 174.8095 24 I 4.8693 8.8047 125.5058 59.8560 39.0216 175.4616 25 S 4.9434 8.3102 121.9449 57.6889 64.5400 172.6563 26 E 5.0380 8.8563 125.4344 54.7454 33.1996 173.6725 27 D 4.6625 9.1595 128.2210 54.2844 42.1501 175.9045 28 Y 4.4370 8.7355 125.4111 58.8077 38.4589 175.6470 29 K 4.1707 8.2212 116.0145 58.3465 34.4618 177.5468 30 T 4.1090 7.9368 105.0312 61.2351 69.4049 174.5683 31 R 3.9767 7.8574 121.0556 57.2377 29.3546 175.7572 32 G 4.2487 8.0343 103.4245 45.2800 0.0000 173.2879 33 R 5.1768 8.2646 114.9926 55.0648 32.4869 174.5537 34 K 4.6030 8.3416 119.9889 54.6725 35.5778 174.9554 35 L 4.9053 8.0237 119.0732 53.1127 40.5128 176.0054 36 L 4.3311 8.2396 123.0290 57.1812 42.6410 177.4736 37 R 4.7016 7.8723 112.3653 55.6386 33.5538 173.2596 38 F 4.7874 8.2280 116.7051 57.9614 42.4555 172.4859 39 N 5.0228 8.7235 122.5019 51.5213 43.3998 171.9588 40 G 4.0048 8.9684 104.4873 43.7936 0.0000 171.4885 41 P 4.3211 0.0000 0.0000 62.5835 31.8711 176.8425 42 V 4.4611 8.0887 116.8233 58.9960 34.5950 173.2343 43 P 4.7109 0.0000 0.0000 60.8073 33.0282 174.0833 44 P 4.2908 0.0000 0.0000 62.3292 31.8356 174.9579 45 P 4.3182 0.0000 0.0000 63.0284 31.3780 176.0655 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 2 R 8.25 4.36 0.00 1.81 1.93 0.00 3.17 0.00 0.00 3.29 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 3 E 8.72 4.16 0.00 1.97 1.86 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 2.18 2.28 0.00 4 I 8.46 3.44 1.53 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.16 0.52 0.00 0.00 5 K 8.60 4.13 0.00 1.78 1.78 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.39 7.81 6 G 6.72 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 0.00 0.00 0.00 7 Y 8.67 5.02 0.00 2.78 2.44 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 8 E 8.19 5.04 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 9 Y 9.02 4.61 0.00 3.00 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 10 Q 8.69 5.21 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 11 L 8.35 4.63 0.00 1.53 1.70 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.49 4.76 0.00 2.77 2.87 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 13 V 9.18 4.51 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 1.13 0.00 0.00 0.90 0.00 0.00 14 Y 9.00 5.03 0.00 2.88 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 15 A 9.14 4.77 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 16 S 9.43 3.67 0.00 4.23 4.07 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 17 D 8.60 4.77 0.00 2.84 2.81 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 0.00 0.00 0.00 18 K 7.95 4.34 0.00 1.52 1.14 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.50 7.81 19 L 7.53 4.26 0.00 0.97 1.25 1.05 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.08 5.14 0.00 2.63 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 21 R 8.29 4.40 0.00 1.27 1.39 0.00 2.83 0.00 0.00 2.43 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.35 0.00 22 A 7.80 5.10 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.71 5.08 0.00 2.69 2.57 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 24 I 8.80 4.87 2.07 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 1.16 0.64 1.07 0.00 0.00 25 S 8.31 4.94 0.00 3.87 3.77 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 26 E 8.86 5.04 0.00 2.40 2.14 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 2.58 2.46 0.00 27 D 9.16 4.66 0.00 2.82 2.58 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 28 Y 8.74 4.44 0.00 2.65 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 29 K 8.22 4.17 0.00 1.66 1.71 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.26 7.81 30 T 7.94 4.11 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 1.25 0.00 0.00 31 R 7.86 3.98 0.00 1.95 2.02 0.00 3.33 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 32 G 8.03 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 0.00 0.00 0.00 0.00 33 R 8.26 5.18 0.00 2.00 1.99 0.00 3.22 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 34 K 8.34 4.60 0.00 1.74 1.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.38 7.81 35 L 8.02 4.91 0.00 1.64 1.56 1.20 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.24 4.33 0.00 1.81 1.80 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.87 4.70 0.00 1.92 2.04 0.00 3.11 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 38 F 8.23 4.79 0.00 2.98 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 39 N 8.72 5.02 0.00 2.66 2.68 0.00 0.00 6.75 6.98 0.00 0.00 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 G 8.97 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 41 P 0.00 4.32 0.00 1.77 1.59 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 42 V 8.09 4.46 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 0.64 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.71 0.00 2.06 2.03 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 44 P 0.00 4.29 0.00 2.06 2.09 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 45 P 0.00 4.32 0.00 1.79 1.00 0.00 3.63 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.17 0.00