NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 H 4.8306 8.4293 117.8398 55.5732 30.1287 172.1410 20 K 4.2908 8.4733 123.8238 52.6789 33.9927 174.1353 21 P 4.5145 0.0000 0.0000 61.2324 33.1253 175.0921 22 P 4.4830 0.0000 0.0000 61.6599 31.8853 174.4160 23 P 4.4123 0.0000 0.0000 62.7573 31.8204 175.9022 24 E 4.6977 8.2678 119.9436 53.8249 31.6354 174.5193 25 P 4.2350 0.0000 0.0000 62.5244 32.1692 175.0091 26 D 4.7324 8.1134 119.0202 52.7541 42.0688 176.0833 27 W 4.6921 8.8138 125.2631 56.7512 29.8948 177.4168 28 S 4.1818 8.7572 116.6374 60.9794 62.3090 174.2932 29 N 4.9092 8.1115 118.6440 52.0506 39.8824 173.3010 30 T 4.8532 8.3863 121.9729 61.9712 71.4806 173.8943 31 V 4.5392 7.9292 122.4018 60.7607 34.6548 172.5302 32 P 4.4761 0.0000 0.0000 62.5345 32.0301 177.0624 33 V 3.6124 8.4362 122.1380 66.0277 31.6588 176.7156 34 N 4.6839 7.8531 121.1157 52.0112 37.2832 175.0969 35 K 4.1810 8.4575 123.9286 58.4805 32.6125 177.5032 36 T 4.7244 7.3614 106.5148 59.4586 71.8920 173.1336 37 I 3.9875 8.1744 123.5963 60.0405 37.6541 174.7128 38 P 4.5661 0.0000 0.0000 62.5854 32.0797 175.7816 39 V 4.3406 7.8778 111.2394 59.4593 34.9080 175.2798 40 D 4.6227 8.5096 123.6348 53.5172 40.8022 176.0016 41 T 4.2210 8.3375 117.8480 62.0259 69.2043 174.8125 42 Q 4.0980 8.0726 127.0984 57.0805 29.7807 175.0372 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 19 H 8.43 4.83 0.00 3.18 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.47 4.29 0.00 1.94 1.82 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.50 7.81 21 P 0.00 4.51 0.00 2.21 2.12 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 22 P 0.00 4.48 0.00 2.19 2.10 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 23 P 0.00 4.41 0.00 2.03 2.01 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 24 E 8.27 4.70 0.00 1.96 1.90 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 2.25 2.25 0.00 25 P 0.00 4.24 0.00 1.27 1.64 0.00 3.79 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 26 D 8.11 4.73 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.81 4.69 0.00 3.29 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 28 S 8.76 4.18 0.00 3.84 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.91 0.00 2.64 2.71 0.00 0.00 6.78 7.70 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 30 T 8.39 4.85 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 31 V 7.93 4.54 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.00 0.00 0.00 32 P 0.00 4.48 0.00 2.10 1.98 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 33 V 8.44 3.61 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 34 N 7.85 4.68 0.00 2.76 3.01 0.00 0.00 6.93 7.61 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 35 K 8.46 4.18 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.37 7.81 36 T 7.36 4.72 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 37 I 8.17 3.99 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 1.47 0.41 0.91 0.00 0.00 38 P 0.00 4.57 0.00 2.18 2.07 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 39 V 7.88 4.34 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 0.73 0.00 0.00 0.93 0.00 0.00 40 D 8.51 4.62 0.00 2.75 2.56 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 0.00 0.00 0.00 41 T 8.34 4.22 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 42 Q 8.07 4.10 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00