NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.9748 8.1200 121.8645 55.3195 34.3382 175.0290 3 V 4.2323 8.0998 115.6338 59.3624 33.9521 172.9805 4 R 4.3253 8.0712 122.6866 56.1411 33.5953 174.4597 5 A 3.8928 8.8474 120.2292 54.4686 18.8131 177.8425 6 S 4.5503 7.8776 111.2135 56.6332 63.8260 173.4325 7 V 4.2926 8.2567 125.5800 60.8980 32.8750 174.5490 8 K 4.7142 8.0644 127.1031 55.3983 34.9331 175.5253 9 R 4.6788 8.4130 118.2852 55.8694 32.0510 176.0277 10 I 4.5956 8.0485 117.8278 61.0057 39.5513 175.0325 11 C 4.7531 7.6954 117.3195 58.7717 31.1397 172.5409 12 D 4.9143 8.8060 117.4959 53.8388 40.7021 176.3203 13 K 4.6666 7.2070 120.1875 53.2155 32.6565 172.8168 14 C 4.7815 7.8439 110.8674 57.4853 32.1525 174.1199 15 K 4.3510 8.9130 124.6749 54.7239 33.6134 177.3147 16 V 4.2604 7.7280 124.6184 61.8226 29.2169 175.9268 17 I 3.8251 7.5255 124.0753 61.7635 38.9710 176.9135 18 R 4.8365 8.6631 126.1451 54.2310 31.1812 173.4916 19 R 4.4515 8.4990 121.0204 55.3713 31.6005 175.8210 20 H 4.0756 9.0430 120.4339 56.9199 25.0329 177.6333 21 G 4.0135 8.3263 107.0187 46.1533 0.0000 174.4374 22 R 4.2483 7.9560 119.8472 55.0922 31.0746 175.8095 23 V 4.2664 8.1745 123.1143 62.5094 31.3686 174.8289 24 Y 4.6681 8.5949 126.3297 56.8553 40.4465 175.3889 25 V 4.6475 9.1803 119.8249 61.9795 35.0550 173.5310 26 I 4.9113 8.6645 128.6347 59.7631 40.1640 174.2951 27 C 5.2541 8.3905 124.7735 56.4278 34.9739 173.5841 28 E 4.0303 9.0048 121.2672 58.8434 29.4816 176.4153 29 N 4.6905 7.8999 116.9228 50.8071 38.6711 173.9766 30 P 4.2302 0.0000 0.0000 65.3622 31.2949 178.3062 31 K 4.0926 7.9841 117.2163 58.9583 32.0372 177.0757 32 H 4.6753 8.1841 114.4556 55.4585 29.3960 174.7146 33 K 4.2413 7.8495 120.1135 57.4497 32.5854 175.7658 34 Q 5.1850 9.0325 124.3991 54.1926 31.8036 174.9078 35 R 4.6242 9.2234 121.4392 54.8005 34.7763 173.0687 36 Q 4.7382 7.8541 121.3452 54.3596 31.2371 175.3387 37 G 3.7341 8.5978 115.0594 46.5298 0.0000 172.5195 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 K 8.12 4.97 0.00 1.83 1.62 0.00 1.71 0.00 0.00 2.01 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.24 7.81 3 V 8.10 4.23 2.06 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 0.84 0.00 0.00 0.89 0.00 0.00 4 R 8.07 4.33 0.00 1.99 1.98 0.00 2.82 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 5 A 8.85 3.89 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 6 S 7.88 4.55 0.00 3.96 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.26 4.29 2.06 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 0.90 0.00 0.00 0.93 0.00 0.00 8 K 8.06 4.71 0.00 1.78 1.68 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.36 7.81 9 R 8.41 4.68 0.00 1.77 1.82 0.00 3.15 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 10 I 8.05 4.60 1.34 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 0.78 0.00 0.00 11 C 7.70 4.75 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.81 4.91 0.00 2.75 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 13 K 7.21 4.67 0.00 1.71 1.75 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.40 7.81 14 C 7.84 4.78 0.00 2.93 2.91 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 15 K 8.91 4.35 0.00 1.72 1.76 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.38 7.81 16 V 7.73 4.26 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 0.94 0.00 0.00 17 I 7.53 3.83 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.95 0.86 0.00 0.00 18 R 8.66 4.84 0.00 1.80 1.83 0.00 3.19 0.00 0.00 3.30 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 19 R 8.50 4.45 0.00 1.60 1.71 0.00 2.35 0.00 0.00 2.82 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.12 0.00 20 H 9.04 4.08 0.00 3.56 3.55 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.33 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.96 4.25 0.00 2.30 1.67 0.00 3.31 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 23 V 8.17 4.27 2.16 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 0.80 0.00 0.00 1.00 0.00 0.00 24 Y 8.59 4.67 0.00 2.82 2.91 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 25 V 9.18 4.65 2.12 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 1.01 0.00 0.00 1.01 0.00 0.00 26 I 8.66 4.91 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.92 0.00 0.00 27 C 8.39 5.25 0.00 2.99 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 28 E 9.00 4.03 0.00 1.97 1.95 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 2.29 2.24 0.00 29 N 7.90 4.69 0.00 2.87 2.87 0.00 0.00 5.90 7.76 0.00 0.00 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 P 0.00 4.23 0.00 2.24 2.38 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 31 K 7.98 4.09 0.00 1.72 1.95 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.46 7.81 32 H 8.18 4.68 0.00 3.23 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.85 4.24 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.47 7.81 34 Q 9.03 5.18 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 35 R 9.22 4.62 0.00 1.57 1.54 0.00 2.60 0.00 0.00 2.88 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 36 Q 7.85 4.74 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.44 0.00 37 G 8.60 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