NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.6374 8.3249 119.4065 56.8102 41.1926 174.9091 3 M 4.6438 7.9567 118.0019 52.7748 34.6146 173.5753 4 K 4.4187 8.1820 121.2905 55.1467 34.4821 176.9496 5 S 4.4633 8.3363 117.4697 57.8659 63.9416 174.4472 6 T 3.8585 8.4453 111.7371 62.9730 68.8840 174.4451 7 G 3.7743 7.4177 105.5983 46.8406 0.0000 173.4319 8 I 4.4920 7.6642 118.0058 59.0005 40.0056 175.8087 9 V 4.4434 8.2330 123.5979 60.9421 33.9293 174.4136 10 R 4.6900 8.1356 124.4485 54.0294 33.2786 174.5635 11 K 4.2264 8.3117 122.6168 55.6163 33.0750 176.4504 12 V 3.8501 8.1356 125.0774 62.2885 32.4324 175.8771 13 D 4.7741 7.8988 124.8343 52.1016 41.3962 176.5651 14 E 3.9147 8.7690 117.6639 59.7040 29.3075 178.1796 15 L 4.1190 8.3184 117.8614 55.1323 42.6480 175.8608 16 G 3.7092 7.8241 104.8733 47.6578 0.0000 173.5381 17 R 4.7358 8.1411 116.6943 54.0782 33.3013 176.2036 18 V 4.6245 8.0533 112.2697 59.5263 35.0812 175.2524 19 V 4.3790 8.0784 121.2584 61.0162 33.3958 175.3414 20 I 4.1176 8.1789 127.9293 59.6407 38.1332 174.1224 21 P 4.3475 0.0000 0.0000 62.7370 31.8497 177.0448 22 I 3.6278 8.4940 120.3355 64.4062 37.7830 177.6596 23 E 3.9440 8.2202 119.6688 59.2644 29.3283 178.5385 24 L 4.1578 8.0897 118.7777 57.1388 41.8072 179.3220 25 R 3.9294 7.8873 117.8471 59.3371 30.1538 179.1375 26 R 3.9071 7.9815 117.6011 59.7280 29.9837 179.3081 27 T 3.9250 7.5470 113.5530 66.0736 68.5075 175.6609 28 L 4.3084 8.2146 120.2357 54.2278 42.7770 176.0778 29 G 3.8857 7.8494 105.2514 47.8212 0.0000 173.7813 30 I 4.4836 7.7468 118.4757 59.1002 40.0091 175.4172 31 A 4.7311 9.0176 126.2061 49.8264 22.4844 175.0218 32 E 4.1054 8.5266 119.8396 57.8499 29.8673 177.4691 33 K 4.0002 8.7522 123.5636 56.7019 31.4938 175.7202 34 D 4.6310 7.8405 117.0894 54.6652 41.6887 174.8945 35 A 4.8758 8.3977 121.7903 50.5078 21.2291 175.7500 36 L 4.8220 8.6010 121.9985 52.9606 44.4397 175.4120 37 E 4.4681 8.9351 123.5362 54.5391 32.0390 174.4121 38 I 4.9424 8.2221 126.4283 59.8642 39.6731 174.4706 39 Y 4.6571 9.2730 123.8958 56.1329 41.6730 174.8086 40 V 5.0072 8.2684 120.4694 61.2643 34.1893 174.4945 41 D 4.6859 9.2706 126.4625 53.0593 42.6464 174.5235 42 D 4.3598 9.6101 119.0713 55.9035 39.6085 173.3905 43 E 3.8596 8.3510 111.9603 56.7808 27.8723 174.7833 44 K 4.6834 8.5286 118.4852 54.5490 35.1159 174.8303 45 I 4.7906 8.1994 122.2870 60.0666 38.9209 175.0534 46 I 4.4105 8.5928 127.9642 59.6940 39.1063 174.4448 47 L 5.3759 8.5366 127.4690 52.8902 43.7923 175.9955 48 K 4.6974 8.7445 121.3317 54.6780 36.7163 175.3180 49 K 4.3253 8.7363 121.7007 57.3062 32.8553 174.8719 50 Y 4.9536 8.2652 127.3195 56.2968 39.9673 175.8255 51 K 4.2346 8.7026 126.4579 52.9925 32.5952 173.5847 52 P 4.1518 0.0000 0.0000 62.2454 32.1138 176.4697 53 N 4.5019 8.6164 117.3766 53.7341 38.4337 175.1162 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 F 8.32 4.64 0.00 3.11 3.20 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 0.00 0.00 0.00 0.00 3 M 7.96 4.64 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 4 K 8.18 4.42 0.00 1.75 1.73 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.42 7.81 5 S 8.34 4.46 0.00 3.98 3.87 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 6 T 8.45 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 7 G 7.42 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 0.00 0.00 0.00 8 I 7.66 4.49 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 1.30 0.73 0.91 0.00 0.00 9 V 8.23 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 0.80 0.00 0.00 0.93 0.00 0.00 10 R 8.14 4.69 0.00 1.73 1.73 0.00 3.33 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 11 K 8.31 4.23 0.00 1.76 1.68 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 V 8.14 3.85 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 0.83 0.00 0.00 0.93 0.00 0.00 13 D 7.90 4.77 0.00 2.83 2.82 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 14 E 8.77 3.91 0.00 1.98 2.07 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 2.32 2.31 0.00 15 L 8.32 4.12 0.00 1.59 1.67 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.82 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.14 4.74 0.00 2.12 1.81 0.00 3.07 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 18 V 8.05 4.62 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 0.80 0.00 0.00 0.94 0.00 0.00 19 V 8.08 4.38 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 0.93 0.00 0.00 20 I 8.18 4.12 1.88 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 1.48 0.54 0.92 0.00 0.00 21 P 0.00 4.35 0.00 2.21 2.19 0.00 3.71 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 2.08 1.96 0.00 22 I 8.49 3.63 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 1.53 1.19 0.91 0.00 0.00 23 E 8.22 3.94 0.00 2.07 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 2.38 2.41 0.00 24 L 8.09 4.16 0.00 1.89 1.69 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.89 3.93 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 26 R 7.98 3.91 0.00 1.88 1.97 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 27 T 7.55 3.92 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 28 L 8.21 4.31 0.00 1.64 1.72 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.85 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 0.00 0.00 0.00 30 I 7.75 4.48 1.88 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 1.27 1.00 0.93 0.00 0.00 31 A 9.02 4.73 1.27 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 0.00 0.00 32 E 8.53 4.11 0.00 1.94 1.89 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 2.31 2.32 0.00 33 K 8.75 4.00 0.00 1.95 1.96 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.46 7.81 34 D 7.84 4.63 0.00 2.94 2.63 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 0.00 0.00 0.00 0.00 35 A 8.40 4.88 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 4.82 0.00 1.53 1.61 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.94 4.47 0.00 2.02 2.01 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 2.23 1.98 0.00 38 I 8.22 4.94 1.83 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 1.36 0.74 0.93 0.00 0.00 39 Y 9.27 4.66 0.00 2.99 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 40 V 8.27 5.01 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 0.80 0.00 0.00 0.93 0.00 0.00 41 D 9.27 4.69 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.61 4.36 0.00 2.73 2.70 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 43 E 8.35 3.86 0.00 2.15 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 0.00 2.22 2.31 0.00 44 K 8.53 4.68 0.00 2.01 1.67 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.62 7.81 45 I 8.20 4.79 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 1.36 0.55 1.01 0.00 0.00 46 I 8.59 4.41 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.69 0.00 0.00 47 L 8.54 5.38 0.00 1.50 1.59 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.74 4.70 0.00 1.73 1.69 0.00 1.11 0.00 0.00 0.71 0.00 0.00 2.87 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.25 1.43 7.81 49 K 8.74 4.33 0.00 1.82 1.80 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 50 Y 8.27 4.95 0.00 2.89 2.99 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 0.00 0.00 0.00 51 K 8.70 4.23 0.00 1.74 1.65 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.39 7.81 52 P 0.00 4.15 0.00 1.83 1.81 0.00 3.23 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.76 0.00 53 N 8.62 4.50 0.00 2.72 2.74 0.00 0.00 6.84 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00