NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5013 8.0433 122.7582 54.8726 44.0155 175.0008 2 K 4.9483 9.0385 125.2159 54.4874 34.8184 173.2841 3 C 5.3380 9.8701 122.5757 54.9505 44.6362 173.2880 4 N 5.2096 9.3202 119.9535 53.5445 39.0473 174.8968 5 K 4.3801 8.6191 121.4344 54.7830 34.1373 176.8818 6 L 3.7722 8.4292 122.8803 58.1537 41.9754 177.6883 7 V 4.0900 7.6692 123.5448 60.5258 30.5393 174.0236 8 P 4.5036 0.0000 0.0000 63.8192 30.8084 177.1737 9 L 4.0470 7.9995 121.7150 56.5362 42.4104 176.2864 10 F 5.1194 7.7453 116.4573 56.1548 42.6293 173.6228 11 Y 5.5232 7.7771 117.9092 56.4465 41.1783 173.1608 12 K 4.7493 9.1329 117.5424 55.9978 36.6523 175.0103 13 T 4.8257 8.3610 117.6198 62.6866 69.4484 175.8358 14 C 4.6658 8.9635 124.7739 56.2375 35.6547 172.1482 15 P 4.5077 0.0000 0.0000 61.5355 32.1360 175.3457 16 A 4.0440 8.2828 121.6331 54.0831 18.4575 177.9913 17 G 3.9378 9.1276 110.8187 44.9235 0.0000 173.7697 18 K 4.4754 7.3793 118.6193 55.2125 31.2729 175.3676 19 N 5.0361 8.4292 121.4045 52.5768 39.4463 174.8754 20 L 5.0255 7.7056 116.9674 53.4245 46.4766 175.1660 21 C 5.4780 9.4452 119.6231 56.0122 37.5881 172.1684 22 Y 6.0343 8.4390 117.4799 56.3056 41.7752 173.6194 23 K 4.7981 8.8322 117.9009 55.4731 36.5185 174.4106 24 M 5.0773 9.1637 122.7008 53.8002 34.9932 174.1788 25 F 5.0897 9.4839 124.4831 55.9215 42.6588 174.0996 26 M 4.9934 8.4384 121.4057 53.4767 34.1398 177.2749 27 V 3.7264 8.6470 116.5955 64.5854 31.7332 177.9064 28 A 4.0717 8.2452 121.9920 54.2831 18.5741 177.1720 29 T 4.6683 7.5971 113.3042 61.8873 71.4986 171.4189 30 P 3.8645 0.0000 0.0000 63.6839 32.1324 176.4998 31 K 4.7283 9.3528 111.0850 55.9651 33.6815 175.9878 32 V 4.4788 7.6814 112.0290 59.0927 33.7205 174.0316 33 P 3.8431 0.0000 0.0000 62.7011 31.6273 176.8230 34 V 4.1325 7.9366 113.8657 61.1315 32.4523 176.1376 35 K 4.4718 7.2504 119.2133 55.6818 34.8518 174.0765 36 R 4.4627 7.7730 123.0682 54.3943 34.8272 175.7844 37 G 3.8528 6.4281 106.9297 46.6300 0.0000 171.3908 38 C 5.3368 8.5957 117.9821 55.8373 39.9258 172.5533 39 I 4.4946 8.1253 119.8581 60.4959 40.9668 175.0192 40 D 4.4391 8.7229 124.1319 54.7732 40.1641 177.0843 41 V 4.3255 7.2490 117.6611 60.0214 34.1141 175.2502 42 C 4.1968 8.6832 126.9883 55.9673 43.8559 171.5690 43 P 4.2405 0.0000 0.0000 61.8725 31.6455 175.6082 44 K 4.3463 7.9316 118.8380 55.7772 32.9929 177.1925 45 S 4.8885 8.5058 118.9645 58.0524 64.2244 173.9420 46 S 4.9851 8.6705 119.5269 56.9814 64.6012 173.0163 47 L 4.1070 8.7911 118.9763 58.0550 42.1516 178.8264 48 L 4.5115 7.8414 116.1511 54.6964 42.9643 175.7783 49 V 4.8378 7.5312 118.6918 60.8550 35.0123 174.0384 50 K 5.0247 9.4392 126.6865 54.8064 35.4074 174.6667 51 Y 5.3345 9.0047 121.2177 56.2134 41.4010 175.2255 52 V 4.5845 8.9970 122.4635 61.4223 34.3100 173.5349 53 C 5.7831 9.0535 124.9382 55.4947 38.7342 172.0538 54 C 5.1540 9.1879 116.1122 53.7570 45.3606 173.8102 55 N 5.1157 8.7529 115.8977 52.6088 37.4111 174.1419 56 T 4.6589 7.5407 107.8367 59.7155 71.6525 172.8060 57 D 4.4492 8.7305 121.9621 56.4881 41.1742 177.1774 58 R 3.7489 8.9454 124.9638 57.3085 28.2116 174.7022 59 C 4.5085 7.8827 111.5021 56.0814 42.7968 173.3634 60 N 4.5282 7.9562 122.7110 52.9996 37.2175 174.6999 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 L 8.04 4.50 0.00 1.80 1.62 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.04 4.95 0.00 1.64 1.69 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.41 1.63 7.81 3 C 9.87 5.34 0.00 2.83 2.89 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 4 N 9.32 5.21 0.00 2.69 2.77 0.00 0.00 6.91 7.85 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 5 K 8.62 4.38 0.00 1.73 1.77 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 6 L 8.43 3.77 0.00 1.56 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.67 4.09 2.37 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 1.18 0.00 0.00 1.00 0.00 0.00 8 P 0.00 4.50 0.00 2.21 2.14 0.00 3.82 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 1.98 1.96 0.00 9 L 8.00 4.05 0.00 1.38 1.12 0.76 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.75 5.12 0.00 3.05 2.80 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 0.00 0.00 0.00 11 Y 7.78 5.52 0.00 3.05 3.08 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 0.00 0.00 0.00 0.00 12 K 9.13 4.75 0.00 1.84 1.91 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.47 7.81 13 T 8.36 4.83 4.28 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 1.29 0.00 0.00 14 C 8.96 4.67 0.00 2.87 3.12 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 15 P 0.00 4.51 0.00 2.23 2.21 0.00 3.74 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 2.09 1.98 0.00 16 A 8.28 4.04 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 17 G 9.13 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 0.00 0.00 0.00 18 K 7.38 4.48 0.00 1.74 2.00 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.40 7.81 19 N 8.43 5.04 0.00 2.70 2.81 0.00 0.00 6.93 7.85 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 20 L 7.71 5.03 0.00 1.81 1.56 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.45 5.48 0.00 2.84 3.06 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 0.00 0.00 0.00 0.00 22 Y 8.44 6.03 0.00 3.31 3.09 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 0.00 0.00 0.00 23 K 8.83 4.80 0.00 1.53 1.76 0.00 1.46 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.49 1.54 7.81 24 M 9.16 5.08 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.15 0.00 25 F 9.48 5.09 0.00 2.92 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 26 M 8.44 4.99 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 27 V 8.65 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 0.66 0.00 0.00 0.97 0.00 0.00 28 A 8.25 4.07 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.60 4.67 4.28 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 1.23 0.00 0.00 30 P 0.00 3.86 0.00 2.22 1.53 0.00 3.73 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 2.02 2.04 0.00 31 K 9.35 4.73 0.00 1.90 1.90 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.47 7.81 32 V 7.68 4.48 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 0.79 0.00 0.00 0.95 0.00 0.00 33 P 0.00 3.84 0.00 1.75 1.39 0.00 3.53 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.20 0.00 34 V 7.94 4.13 2.05 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 0.62 0.00 0.00 0.95 0.00 0.00 35 K 7.25 4.47 0.00 1.77 1.72 0.00 1.82 0.00 0.00 2.09 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.51 7.81 36 R 7.77 4.46 0.00 1.61 1.63 0.00 3.44 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.48 0.00 37 G 6.43 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.60 5.34 0.00 3.03 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 39 I 8.13 4.49 1.96 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 1.03 0.00 0.00 40 D 8.72 4.44 0.00 2.85 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 41 V 7.25 4.33 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 0.77 0.00 0.00 0.90 0.00 0.00 42 C 8.68 4.20 0.00 2.96 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 43 P 0.00 4.24 0.00 0.49 1.27 0.00 3.13 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.59 0.00 44 K 7.93 4.35 0.00 1.75 1.74 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.39 7.81 45 S 8.51 4.89 0.00 3.94 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 46 S 8.67 4.99 0.00 3.78 3.78 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 0.00 0.00 0.00 47 L 8.79 4.11 0.00 1.66 1.69 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.84 4.51 0.00 1.79 1.68 0.93 0.77 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 49 V 7.53 4.84 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 0.56 0.00 0.00 0.92 0.00 0.00 50 K 9.44 5.02 0.00 1.77 1.70 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.44 7.81 51 Y 9.00 5.33 0.00 2.86 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 52 V 9.00 4.58 2.30 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 1.09 0.00 0.00 1.15 0.00 0.00 53 C 9.05 5.78 0.00 2.92 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 54 C 9.19 5.15 0.00 2.98 3.16 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 55 N 8.75 5.12 0.00 2.83 2.91 0.00 0.00 5.85 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 T 7.54 4.66 4.23 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 1.21 0.00 0.00 57 D 8.73 4.45 0.00 2.63 2.60 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 0.00 0.00 0.00 0.00 58 R 8.95 3.75 0.00 1.73 1.97 0.00 2.21 0.00 0.00 2.82 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.28 0.00 59 C 7.88 4.51 0.00 3.04 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 60 N 7.96 4.53 0.00 2.87 2.82 0.00 0.00 5.92 7.56 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