NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4065 8.3044 120.3262 55.1198 33.4267 174.1613 2 E 4.1013 8.4244 122.0685 53.6696 30.6123 173.0910 3 P 4.1459 0.0000 0.0000 62.5450 31.9876 174.9788 4 N 4.1245 8.7960 122.0882 53.8565 38.8510 172.3004 5 P 4.6852 0.0000 0.0000 63.1568 31.4485 176.1001 6 N 4.7962 8.9872 114.9575 53.2970 39.1192 174.9467 7 R 4.4193 7.6506 115.3744 55.0540 30.9279 175.4922 8 Q 4.6831 8.2433 118.5832 53.2467 32.4821 173.1217 9 P 4.6150 0.0000 0.0000 62.1617 32.6371 175.4315 10 V 4.4293 7.9689 118.2152 61.1046 33.6951 174.4691 11 E 4.6300 8.3144 124.6262 54.5024 32.7015 174.9433 12 L 4.3331 8.1295 126.0772 52.6016 43.9204 175.8324 13 N 4.6280 8.4930 124.7424 52.1064 39.6479 175.7578 14 R 3.5660 8.2333 119.7124 59.8099 30.0917 178.2709 15 T 3.9136 7.8109 114.9722 66.8914 68.3814 176.5165 16 S 4.1564 9.5712 118.0940 61.2823 62.7717 176.3479 17 L 3.9194 7.6272 122.9760 58.4230 41.8165 178.5848 18 Y 4.4431 7.7530 116.3324 61.4292 37.7751 178.6065 19 L 4.2408 8.5813 120.3000 58.0545 41.7040 179.7085 20 G 3.6722 8.7669 106.0693 47.7101 0.0000 175.4013 21 L 4.0174 8.5048 122.3107 57.2702 41.8094 179.4348 22 L 3.9246 8.4827 120.3069 58.1855 41.8613 178.9597 23 L 3.9279 7.7425 120.1091 58.2016 42.1190 178.7660 24 I 3.6890 7.7447 119.6543 64.4602 37.0689 178.0716 25 L 3.9932 8.1165 119.6279 58.3132 41.5960 180.2269 26 V 3.6571 7.8148 111.9102 64.4130 31.4668 178.6336 27 L 4.1356 8.2572 118.6350 57.8952 41.5099 179.4557 28 A 4.0892 8.2264 120.6818 54.9916 18.0722 179.3546 29 L 4.0130 7.9135 117.9665 57.4928 42.1932 178.2620 30 L 4.1916 7.8127 119.6043 57.0054 42.5725 177.6847 31 F 4.5513 8.6756 117.0119 58.1422 39.3783 177.9661 32 S 3.6884 7.6801 114.6186 61.6011 62.5059 176.6950 33 S 4.1194 8.0001 118.0029 61.7057 62.3548 176.0892 34 Y 4.3111 7.8003 117.2109 60.4056 37.8644 177.6281 35 F 4.5763 8.1349 118.7028 60.6269 39.1669 177.4255 36 F 4.3762 8.6948 116.2465 58.7689 38.8534 175.1494 37 N 4.5323 8.0586 121.3948 53.9599 40.2972 173.3200 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 M 8.30 4.41 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 E 8.42 4.10 0.00 2.00 1.84 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 2.24 2.39 0.00 3 P 0.00 4.15 0.00 2.07 2.03 0.00 3.76 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 2.03 2.08 0.00 4 N 8.80 4.12 0.00 2.67 2.77 0.00 0.00 7.24 7.69 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 5 P 0.00 4.69 0.00 2.21 2.11 0.00 3.79 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 1.96 1.98 0.00 6 N 8.99 4.80 0.00 2.71 2.87 0.00 0.00 6.85 7.62 0.00 0.00 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 R 7.65 4.42 0.00 1.89 1.91 0.00 3.02 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.86 0.00 8 Q 8.24 4.68 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 9 P 0.00 4.62 0.00 2.17 2.04 0.00 3.72 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 1.96 1.94 0.00 10 V 7.97 4.43 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 0.81 0.00 0.00 0.92 0.00 0.00 11 E 8.31 4.63 0.00 1.88 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 12 L 8.13 4.33 0.00 1.54 1.47 0.90 0.97 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 13 N 8.49 4.63 0.00 2.99 2.92 0.00 0.00 5.82 7.66 0.00 0.00 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 R 8.23 3.57 0.00 1.74 1.81 0.00 3.14 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.28 0.00 15 T 7.81 3.91 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 16 S 9.57 4.16 0.00 3.85 3.90 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 17 L 7.63 3.92 0.00 1.65 1.58 0.90 0.84 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 18 Y 7.75 4.44 0.00 3.22 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 19 L 8.58 4.24 0.00 1.81 1.77 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.77 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 4.02 0.00 1.89 1.81 1.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.48 3.92 0.00 1.72 1.71 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.74 3.93 0.00 1.77 1.94 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.74 3.69 1.89 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 1.54 0.47 0.93 0.00 0.00 25 L 8.12 3.99 0.00 1.77 1.74 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.81 3.66 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 0.92 0.00 0.00 1.06 0.00 0.00 27 L 8.26 4.14 0.00 1.95 1.79 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.23 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 4.01 0.00 1.65 1.86 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.81 4.19 0.00 1.75 1.93 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.68 4.55 0.00 2.84 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.68 3.69 0.00 4.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.00 4.12 0.00 3.43 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.80 4.31 0.00 3.30 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 35 F 8.13 4.58 0.00 2.86 2.88 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 36 F 8.69 4.38 0.00 3.06 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 37 N 8.06 4.53 0.00 3.11 2.95 0.00 0.00 7.03 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