NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9896 8.2127 109.7430 45.4118 0.0000 173.6283 2 I 3.3439 7.9833 118.8350 62.4460 37.6090 173.5076 3 V 3.5010 8.3326 120.0919 65.9482 30.6661 177.1969 4 E 3.9581 8.0933 117.8657 59.5216 27.8704 179.1068 5 Q 4.1150 8.3729 119.5160 58.7284 29.0519 176.5424 6 C 5.0302 8.3171 115.5864 56.2081 41.5277 174.1441 7 C 4.2679 7.9200 117.0506 60.4552 28.9733 175.3782 8 T 4.1300 7.4143 113.9855 65.9369 68.0984 175.1581 9 S 4.7422 7.4432 113.8669 56.1974 66.9505 173.6505 10 I 3.9234 8.2886 124.0268 61.7746 37.4042 176.5154 11 C 4.8956 8.5442 122.7338 55.7183 42.6836 174.4123 12 S 4.4903 9.4951 119.4592 58.0412 64.6909 175.5809 13 L 4.0036 8.4543 122.1401 58.1163 41.1104 179.2061 14 Y 4.1556 7.9786 118.0141 60.7358 39.2781 177.4292 15 Q 4.0941 8.4090 119.1141 59.2115 28.9227 178.8904 16 L 4.2249 8.1306 119.7708 58.2335 41.6889 179.5533 17 E 4.0007 8.0598 117.8885 58.8010 29.0271 178.5625 18 N 3.9606 7.3850 116.4362 56.5044 38.5744 175.3699 19 Y 4.4745 7.6619 115.6981 57.5344 38.2778 175.4221 20 C 4.3541 7.1157 118.1917 59.4551 28.9956 173.5126 21 N 4.5313 8.5419 117.9019 53.7752 38.1887 175.3580 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 G 8.21 3.99 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 0.00 0.00 0.00 2 I 7.98 3.34 0.56 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.56 0.59 0.00 0.00 3 V 8.33 3.50 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.86 0.00 0.00 4 E 8.09 3.96 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 5 Q 8.37 4.11 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 6 C 8.32 5.03 0.00 3.00 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 7 C 7.92 4.27 0.00 3.11 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 8 T 7.41 4.13 4.29 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 1.22 0.00 0.00 9 S 7.44 4.74 0.00 3.80 3.69 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 10 I 8.29 3.92 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 1.42 0.47 0.92 0.00 0.00 11 C 8.54 4.90 0.00 2.99 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 12 S 9.50 4.49 0.00 4.07 4.06 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 13 L 8.45 4.00 0.00 1.77 1.81 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.98 4.16 0.00 2.95 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 15 Q 8.41 4.09 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.51 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 16 L 8.13 4.22 0.00 1.92 1.81 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.06 4.00 0.00 1.94 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 2.29 2.47 0.00 18 N 7.39 3.96 0.00 2.35 1.94 0.00 0.00 7.17 6.82 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 19 Y 7.66 4.47 0.00 3.16 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 20 C 7.12 4.35 0.00 3.02 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 21 N 8.54 4.53 0.00 2.71 2.73 0.00 0.00 6.80 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