NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2579 8.2649 123.5822 54.4249 19.6524 174.5747 5 R 4.1092 7.7107 112.9065 56.4270 33.6845 171.3417 6 T 4.1524 7.8042 110.9547 62.2074 70.5265 172.0612 7 V 4.4920 8.2796 125.1229 60.4272 34.1463 175.4817 8 R 4.5011 8.2684 123.0452 54.2858 30.1739 174.2091 9 C 4.7959 8.0516 118.1157 55.5112 42.1760 173.9158 10 N 4.3287 9.9798 120.6688 55.5658 38.6011 175.5235 11 C 4.6396 8.4213 116.0879 56.2775 41.0255 173.3846 12 I 4.1306 8.3681 124.0031 61.6585 38.8816 175.4300 13 H 4.7962 8.0073 118.0325 54.1173 32.5593 172.4998 14 I 4.1320 7.7648 126.6504 59.0578 37.7470 174.7847 15 D 4.3561 8.6787 126.0421 54.7809 40.1891 175.8214 16 D 4.5845 8.4912 126.5994 55.0746 41.6468 177.8687 17 G 3.7256 7.2930 108.6103 44.4953 0.0000 171.8934 18 P 4.4620 0.0000 0.0000 63.0238 32.0185 176.1940 19 V 4.4357 8.2440 111.8741 60.3914 36.1018 173.9608 20 R 4.3965 8.3414 123.8660 55.0008 31.2839 176.9059 21 M 4.0297 8.6560 124.0348 58.4701 32.6293 178.0133 22 R 3.7699 8.2807 117.9121 59.4178 30.1515 176.6983 23 A 4.4752 8.1814 118.5751 51.9766 18.7541 175.9619 24 I 4.6200 7.3681 119.0429 60.5873 38.5281 176.2118 25 G 3.9130 8.9260 113.9062 48.4691 0.0000 173.6898 26 K 4.4581 7.2260 117.1573 56.2680 35.2184 173.7064 27 L 5.0839 8.6432 120.2448 53.0983 44.5130 176.5814 28 E 4.5059 9.0224 124.7482 54.3520 30.1319 172.8967 29 I 4.4323 8.0597 123.6211 60.5645 38.1751 174.9025 30 I 4.4145 8.9489 129.5829 58.7592 38.9262 173.9320 31 P 4.6495 0.0000 0.0000 62.0363 32.0942 175.9987 32 A 4.5689 8.6438 124.9442 52.4075 18.7397 176.6487 33 S 4.6619 8.4971 116.3008 56.1618 65.6879 174.6218 34 L 3.9926 8.5164 122.8932 58.0241 42.2382 178.1135 35 S 4.2525 8.1128 114.4252 60.5171 63.1495 172.6272 36 C 4.6447 7.6221 119.1628 54.3069 44.0768 171.7313 37 P 4.8389 0.0000 0.0000 62.2337 30.9304 176.1044 38 R 4.9037 8.2339 115.9245 54.2135 33.4073 174.5100 39 V 4.3666 8.3236 119.1510 61.4972 32.8853 175.1909 40 E 4.6663 9.3135 122.6476 54.6887 32.9046 174.9516 41 I 4.5902 8.4340 125.0699 59.7788 39.5439 174.1994 42 I 4.7303 8.1596 128.5665 59.7966 38.8065 174.9887 43 A 5.0064 9.3174 129.6283 50.8922 21.5553 176.0024 44 T 4.9476 8.6610 118.8392 61.2913 69.5629 173.3074 45 M 4.3478 9.1617 126.1087 55.6269 32.9054 177.9486 46 K 3.8772 9.3555 122.8331 59.2082 32.5672 177.8671 47 K 3.9805 7.9719 121.0613 56.9649 32.1390 176.9015 48 N 4.2389 9.3025 122.0414 53.0309 36.9183 173.5673 49 D 5.1052 7.4559 116.1179 54.2904 39.1064 173.4535 50 E 4.3516 7.8841 119.2443 55.8135 31.3868 175.1644 51 Q 5.2742 8.5527 125.7883 54.8507 30.6067 175.0657 52 R 4.6877 8.7685 118.0109 55.4627 33.3117 173.2400 53 C 5.1992 8.7542 118.0850 56.2407 42.1708 172.5547 54 L 5.2750 8.1624 121.6439 52.5808 44.9844 176.0863 55 N 4.4213 8.6200 120.5051 52.8311 39.1287 173.9180 56 P 4.2405 0.0000 0.0000 65.3183 31.5172 176.6902 57 E 4.6677 8.0061 115.8875 56.4082 30.1334 176.0440 58 S 4.8676 7.9035 114.7060 56.3994 66.5456 174.9394 59 K 3.9417 8.4550 124.6194 59.9301 30.4464 179.4501 60 T 3.8563 8.0289 112.2355 64.2495 67.0829 175.0824 61 I 4.1405 7.3258 120.2873 63.6110 38.1157 177.7234 62 K 3.9791 8.0140 118.1007 59.5394 31.9456 178.6483 63 N 4.5027 8.3055 116.5985 56.2860 38.9668 176.5375 64 L 4.2282 7.1914 119.9492 57.1543 43.3806 178.3624 65 M 4.5105 8.0255 119.5961 54.1465 28.7154 174.0247 66 K 4.0238 7.7002 121.6738 55.8706 33.3058 176.2662 67 A 4.3367 8.0407 123.4000 51.8977 20.2997 175.5717 68 F 4.1719 8.7299 123.0382 59.2161 39.8227 174.5021 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 4 A 8.26 4.26 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 5 R 7.71 4.11 0.00 1.84 1.84 0.00 3.27 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.68 0.00 6 T 7.80 4.15 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 7 V 8.28 4.49 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 0.79 0.00 0.00 1.00 0.00 0.00 8 R 8.27 4.50 0.00 1.80 1.87 0.00 3.15 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 9 C 8.05 4.80 0.00 2.95 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 10 N 9.98 4.33 0.00 2.70 2.87 0.00 0.00 6.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.42 4.64 0.00 3.11 3.02 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 12 I 8.37 4.13 1.89 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 1.31 0.59 0.92 0.00 0.00 13 H 8.01 4.80 0.00 3.01 3.13 0.00 5.87 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 14 I 7.76 4.13 1.80 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 1.26 1.03 0.93 0.00 0.00 15 D 8.68 4.36 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.58 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 3.73 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 0.00 0.00 0.00 18 P 0.00 4.46 0.00 2.05 2.01 0.00 3.71 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 2.03 2.12 0.00 19 V 8.24 4.44 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 0.56 0.00 0.00 0.93 0.00 0.00 20 R 8.34 4.40 0.00 1.88 1.77 0.00 3.24 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 21 M 8.66 4.03 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 22 R 8.28 3.77 0.00 1.80 1.96 0.00 3.27 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 23 A 8.18 4.48 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 24 I 7.37 4.62 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 1.23 0.84 0.93 0.00 0.00 25 G 8.93 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.23 4.46 0.00 1.79 1.87 0.00 1.45 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.31 7.81 27 L 8.64 5.08 0.00 1.49 1.58 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.02 4.51 0.00 2.01 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 2.19 2.25 0.00 29 I 8.06 4.43 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 1.35 0.65 0.91 0.00 0.00 30 I 8.95 4.41 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 1.23 0.87 0.91 0.00 0.00 31 P 0.00 4.65 0.00 1.93 1.98 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 32 A 8.64 4.57 1.24 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 0.00 0.00 0.00 33 S 8.50 4.66 0.00 3.88 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 34 L 8.52 3.99 0.00 1.62 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.11 4.25 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.62 4.64 0.00 2.88 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 37 P 0.00 4.84 0.00 2.08 2.05 0.00 3.72 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 38 R 8.23 4.90 0.00 1.79 1.97 0.00 2.76 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 39 V 8.32 4.37 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 40 E 9.31 4.67 0.00 1.86 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 2.20 2.24 0.00 41 I 8.43 4.59 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 1.35 0.99 0.91 0.00 0.00 42 I 8.16 4.73 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 1.17 0.69 0.92 0.00 0.00 43 A 9.32 5.01 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.95 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 45 M 9.16 4.35 0.00 1.89 2.14 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 46 K 9.36 3.88 0.00 1.69 1.87 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.44 7.81 47 K 7.97 3.98 0.00 1.79 1.70 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.46 7.81 48 N 9.30 4.24 0.00 2.92 2.93 0.00 0.00 7.22 8.06 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 49 D 7.46 5.11 0.00 2.76 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 50 E 7.88 4.35 0.00 2.05 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 2.35 2.34 0.00 51 Q 8.55 5.27 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 52 R 8.77 4.69 0.00 1.87 1.99 0.00 2.94 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 53 C 8.75 5.20 0.00 3.15 3.03 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 0.00 0.00 0.00 0.00 54 L 8.16 5.28 0.00 1.51 1.53 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.62 4.42 0.00 2.78 2.70 0.00 0.00 7.03 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 56 P 0.00 4.24 0.00 2.07 2.13 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 57 E 8.01 4.67 0.00 1.94 1.94 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 2.23 2.30 0.00 58 S 7.90 4.87 0.00 3.95 3.73 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 59 K 8.45 3.94 0.00 1.80 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 60 T 8.03 3.86 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 61 I 7.33 4.14 1.98 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 1.68 1.15 0.91 0.00 0.00 62 K 8.01 3.98 0.00 1.72 1.89 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.24 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.60 7.81 63 N 8.31 4.50 0.00 2.83 2.85 0.00 0.00 7.21 8.61 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 64 L 7.19 4.23 0.00 1.92 1.79 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 65 M 8.03 4.51 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.86 0.00 66 K 7.70 4.02 0.00 1.82 1.74 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.55 7.81 67 A 8.04 4.34 1.23 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 68 F 8.73 4.17 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00