NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5012 8.3049 120.3207 55.1007 34.9090 175.5863 2 K 4.3514 7.4310 125.1349 53.7163 30.5431 177.9406 3 E 3.8450 10.2450 127.2541 57.6334 29.3505 174.1977 4 G 3.8096 9.8839 105.5421 45.9059 0.0000 173.7693 5 I 4.3017 7.1305 103.8200 60.7259 38.3387 171.2310 6 H 5.1670 7.7149 117.7444 54.0887 32.2408 172.5726 7 P 4.2851 0.0000 0.0000 64.4819 31.4003 175.7867 8 K 4.1764 8.0321 117.3438 54.9982 30.8910 176.0479 9 L 4.1683 7.7571 114.9334 53.6084 41.6630 172.6802 10 V 4.7121 7.9860 122.2675 60.6049 34.3822 169.2484 11 P 4.7460 0.0000 0.0000 63.3664 32.1476 174.9772 12 A 4.6527 8.9048 123.4751 51.3814 22.9728 174.6165 13 R 4.8108 8.6349 113.8451 54.8257 33.2827 174.4400 14 I 4.7393 8.2416 119.5911 59.5439 41.1751 175.6076 15 I 4.4035 8.5540 124.9096 59.8735 39.5381 175.2785 16 C 4.8492 8.3887 128.3377 58.3737 32.6480 173.5249 17 G 4.4108 9.0093 106.7815 46.5254 0.0000 174.2552 18 C 4.8350 7.5557 114.3022 55.8687 30.1180 174.0252 19 G 3.3500 7.7622 116.7773 45.8956 0.0000 173.2116 20 N 3.6953 7.7566 121.7445 51.1185 37.6884 172.6987 21 V 4.5344 7.8587 125.8533 60.8390 33.5337 174.8904 22 I 4.0721 8.1849 128.4501 61.2591 38.8811 174.8265 23 E 4.9129 8.3895 124.1002 54.5119 32.0401 173.1276 24 T 4.3205 8.5349 122.0841 61.2937 73.8711 173.5618 25 Y 5.2589 9.6631 118.8231 55.2449 43.0226 176.0492 26 S 5.0755 7.7878 114.1765 59.4096 66.0711 176.3514 27 T 4.6487 8.2490 114.6478 61.1333 69.8955 172.3673 28 K 3.8342 8.7252 129.6490 55.7559 29.6964 174.3051 29 P 4.2736 0.0000 0.0000 64.1582 31.7821 175.4345 30 E 4.6958 7.4488 116.7448 54.5036 31.1127 175.9983 31 I 4.0222 7.7768 122.3395 59.6345 40.6060 174.1068 32 Y 4.7822 7.3931 127.7083 55.7913 36.4029 174.9324 33 V 3.9044 8.2605 126.4819 63.1967 32.8549 175.2036 34 E 4.2098 9.0920 125.8531 58.7122 29.5554 176.6685 35 V 4.8193 7.5732 118.6261 61.2994 35.6228 174.9518 36 C 5.0558 8.4122 120.1504 57.7503 30.8928 172.9457 37 S 4.6010 8.6905 115.7552 56.9241 63.3575 174.0491 38 K 5.3617 8.0554 135.0000 57.6333 34.7545 174.9097 39 C 4.4487 7.9732 117.4127 55.6012 29.8535 171.3524 40 H 3.3118 6.6480 129.4917 54.7249 31.8388 172.5644 41 P 4.0616 0.0000 0.0000 61.8062 32.6867 174.1991 42 F 4.6438 8.9992 112.2932 58.7062 39.6866 171.3595 43 Y 3.3638 9.5953 116.3241 57.7593 41.2929 172.0202 44 T 3.4847 7.7303 111.3690 59.3518 69.8901 174.0784 45 G 3.7192 8.4811 114.5024 45.1669 0.0000 171.7880 46 Q 4.4924 7.3888 122.4253 55.7009 31.9743 173.3736 47 Q 4.4232 8.1806 121.6029 57.0940 32.2124 174.6424 48 R 4.7487 7.6179 113.6836 56.7164 32.3885 173.9663 49 F 4.6442 8.5832 118.5206 56.1756 44.1702 173.7693 50 V 3.3598 8.2294 117.2087 64.1500 30.4726 176.9877 51 D 5.0518 9.6696 117.4772 53.4992 37.8194 176.5955 52 T 4.0401 7.6770 108.7490 63.7802 69.2487 174.5605 53 E 4.4331 8.0488 121.0674 54.9982 31.1891 176.6126 54 G 4.3079 8.4401 111.0980 45.0290 0.0000 172.7238 55 R 4.6323 7.5933 110.6005 56.2885 32.3299 177.4472 56 V 4.2507 8.0904 114.7298 59.6248 30.7446 174.7210 57 E 4.7557 7.7671 124.5955 57.1239 29.8972 176.1387 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 M 8.30 4.50 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 2 K 7.43 4.35 0.00 1.82 1.04 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 3 E 10.24 3.84 0.00 2.16 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 0.00 2.23 2.28 0.00 4 G 9.88 3.81 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 0.00 0.00 0.00 5 I 7.13 4.30 1.89 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 1.45 0.68 0.92 0.00 0.00 6 H 7.71 5.17 0.00 3.09 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.98 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 4.29 0.00 2.05 2.12 0.00 3.68 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 2.03 2.07 0.00 8 K 8.03 4.18 0.00 1.78 2.27 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.30 7.81 9 L 7.76 4.17 0.00 1.72 1.97 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.99 4.71 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.96 0.00 0.00 11 P 0.00 4.75 0.00 1.97 2.06 0.00 3.87 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 12 A 8.90 4.65 1.18 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 0.00 0.00 13 R 8.63 4.81 0.00 1.83 1.93 0.00 2.67 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 14 I 8.24 4.74 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.91 0.00 0.00 15 I 8.55 4.40 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.58 0.98 0.00 0.00 16 C 8.39 4.85 0.00 2.99 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 17 G 9.01 4.41 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 0.00 18 C 7.56 4.84 0.00 3.05 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 19 G 7.76 3.35 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 0.00 20 N 7.76 3.70 0.00 2.84 2.98 0.00 0.00 6.26 7.71 0.00 0.00 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 V 7.86 4.53 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 0.98 0.00 0.00 1.11 0.00 0.00 22 I 8.18 4.07 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.91 0.00 0.00 23 E 8.39 4.91 0.00 1.85 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.30 0.00 24 T 8.53 4.32 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 1.22 0.00 0.00 25 Y 9.66 5.26 0.00 2.78 2.97 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 0.00 0.00 0.00 0.00 26 S 7.79 5.08 0.00 4.10 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 27 T 8.25 4.65 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 1.22 0.00 0.00 28 K 8.73 3.83 0.00 1.98 1.95 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.40 7.81 29 P 0.00 4.27 0.00 2.18 2.07 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 30 E 7.45 4.70 0.00 1.72 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 31 I 7.78 4.02 1.77 0.00 0.00 0.76 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 0.51 0.87 0.00 0.00 32 Y 7.39 4.78 0.00 2.87 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 33 V 8.26 3.90 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 0.83 0.00 0.00 0.96 0.00 0.00 34 E 9.09 4.21 0.00 2.05 1.99 0.00 0.00 0.00 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 2.42 0.00 35 V 7.57 4.82 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 0.97 0.00 0.00 1.06 0.00 0.00 36 C 8.41 5.06 0.00 3.10 2.84 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 37 S 8.69 4.60 0.00 3.90 3.86 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 38 K 8.06 5.36 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.18 1.20 7.81 39 C 7.97 4.45 0.00 3.08 3.05 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 40 H 6.65 3.31 0.00 3.01 3.05 0.00 5.78 0.00 0.00 0.00 0.00 6.72 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 4.06 0.00 2.04 1.99 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 42 F 9.00 4.64 0.00 3.27 3.05 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 43 Y 9.60 3.36 0.00 3.27 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 3.48 4.30 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 1.38 0.00 0.00 45 G 8.48 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.39 4.49 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.66 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 47 Q 8.18 4.42 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.06 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 48 R 7.62 4.75 0.00 1.84 1.91 0.00 3.37 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 49 F 8.58 4.64 0.00 2.84 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 50 V 8.23 3.36 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 0.79 0.00 0.00 0.63 0.00 0.00 51 D 9.67 5.05 0.00 2.92 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 52 T 7.68 4.04 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 53 E 8.05 4.43 0.00 1.96 1.91 0.00 0.00 0.00 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 2.22 0.00 54 G 8.44 4.31 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 0.00 0.00 0.00 55 R 7.59 4.63 0.00 1.75 1.89 0.00 3.17 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 56 V 8.09 4.25 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 0.80 0.00 0.00 0.94 0.00 0.00 57 E 7.77 4.76 0.00 2.03 1.84 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 2.05 2.10 0.00