NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0135 8.0549 120.3118 61.6909 32.5403 174.5874 2 T 4.2002 8.5270 121.2114 59.9794 69.8493 171.7679 3 S 4.9978 9.0982 122.2187 56.5274 66.4124 172.9651 4 Y 4.7611 8.4798 118.3468 56.5724 41.1543 175.1494 5 T 4.7456 8.5361 119.8498 61.5804 71.9041 173.0992 6 L 4.9129 8.2973 125.9786 53.4123 45.2890 174.9866 7 N 4.9818 8.3342 119.4314 52.1940 39.9018 172.7407 8 E 4.5522 8.2320 118.6199 55.3825 32.6563 174.1641 9 V 4.1424 8.1666 121.7567 61.2721 32.2729 175.0531 10 V 4.4252 8.2773 126.8295 60.5084 33.9697 173.8158 11 P 4.6881 0.0000 0.0000 60.6220 30.4901 175.1158 12 L 3.9031 8.2674 128.7706 59.0115 41.9511 177.9178 13 K 3.8168 8.1213 117.6308 59.0808 32.0929 177.2150 14 D 4.7050 7.9306 116.7078 54.6617 41.5535 177.9105 15 V 3.9864 7.7776 118.3883 63.1530 32.4219 176.0525 16 V 4.5086 6.8627 109.2768 58.4708 34.2422 173.5939 17 P 4.5549 0.0000 0.0000 62.1826 31.9294 177.4990 18 E 3.6302 8.8173 119.3574 58.3468 29.5414 177.7461 19 W 4.6544 7.6163 117.9028 54.7507 31.3552 175.3609 20 V 4.6164 8.2430 114.9574 59.8112 35.1988 174.9602 21 R 4.5868 8.3690 120.5662 54.7888 31.9018 175.5979 22 I 4.5540 8.0024 112.1944 58.6796 40.5868 175.2012 23 G 3.7694 7.1675 106.4031 46.0002 0.0000 171.8424 24 F 5.0384 8.3673 116.6205 55.6291 42.4038 174.4001 25 S 4.7195 8.5196 117.1212 56.6417 65.3434 172.7924 26 A 4.7193 8.1984 127.0986 51.5211 21.8844 175.4640 27 T 4.7091 7.9628 108.5992 60.6721 71.5403 172.8286 28 T 4.9443 8.2192 111.8080 60.3300 73.2032 174.9292 29 G 4.1239 8.2449 113.8479 44.7183 0.0000 174.0550 30 A 3.9926 9.1019 126.3861 54.8376 18.3208 178.4118 31 E 3.8654 7.6401 114.2355 55.4628 31.1189 174.5693 32 F 4.7774 6.7733 113.1219 57.2513 40.0148 172.1682 33 A 4.3384 8.1933 121.6667 52.1433 21.1851 175.0936 34 A 4.6120 8.5648 122.5909 50.6757 20.3342 176.6927 35 Q 4.6655 8.5009 121.8419 53.9984 31.3739 175.1536 36 E 4.5474 8.3491 120.9111 54.7119 33.5171 174.6774 37 V 4.0502 8.1780 123.0907 61.8240 32.7702 175.0837 38 H 4.7865 8.4929 122.9443 56.3592 30.0817 174.7899 39 S 4.7541 7.7043 110.6931 57.5192 64.9887 174.3184 40 W 5.5105 8.6055 130.9667 56.4744 33.4994 173.9632 41 S 4.6888 8.7988 118.8260 56.8155 65.6349 172.8934 42 F 4.8668 8.2550 122.4712 56.9285 42.2873 173.1917 43 N 4.7126 7.2855 123.6284 52.0339 41.7877 173.5654 44 S 4.5352 8.0458 118.2241 56.5643 66.3581 173.3161 45 Q 4.3408 8.3344 119.1162 54.1943 31.6496 174.3386 46 L 4.5230 8.7632 124.8161 54.1658 44.3957 176.1801 47 G 4.0004 8.7644 113.3058 45.7940 0.0000 172.9674 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 V 8.05 4.01 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 0.91 0.00 0.00 0.94 0.00 0.00 2 T 8.53 4.20 4.32 0.00 0.00 0.00 0.00 0.00 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 3 S 9.10 5.00 0.00 3.98 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 4 Y 8.48 4.76 0.00 2.80 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 5 T 8.54 4.75 4.27 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 1.24 0.00 0.00 6 L 8.30 4.91 0.00 1.56 1.51 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.33 4.98 0.00 2.83 2.73 0.00 0.00 5.81 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 8 E 8.23 4.55 0.00 1.89 1.83 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 2.21 2.36 0.00 9 V 8.17 4.14 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 0.84 0.00 0.00 0.93 0.00 0.00 10 V 8.28 4.43 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 0.93 0.00 0.00 0.94 0.00 0.00 11 P 0.00 4.69 0.00 2.24 2.18 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 12 L 8.27 3.90 0.00 1.77 1.71 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.12 3.82 0.00 1.77 1.83 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.52 7.81 14 D 7.93 4.70 0.00 2.80 2.69 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 15 V 7.78 3.99 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 0.85 0.00 0.00 1.02 0.00 0.00 16 V 6.86 4.51 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 0.82 0.00 0.00 1.01 0.00 0.00 17 P 0.00 4.55 0.00 2.42 2.02 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 18 E 8.82 3.63 0.00 2.00 1.85 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 2.30 2.35 0.00 19 W 7.62 4.65 0.00 3.20 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 20 V 8.24 4.62 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 21 R 8.37 4.59 0.00 1.80 1.85 0.00 3.16 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 22 I 8.00 4.55 1.78 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.65 0.74 0.00 0.00 23 G 7.17 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.37 5.04 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.52 4.72 0.00 3.78 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 4.72 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 4.71 4.25 0.00 0.00 0.00 0.00 0.00 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 28 T 8.22 4.94 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 29 G 8.24 4.12 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 0.00 0.00 0.00 30 A 9.10 3.99 1.23 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 0.00 0.00 0.00 31 E 7.64 3.87 0.00 1.89 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 2.11 2.01 0.00 32 F 6.77 4.78 0.00 3.02 3.04 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 0.00 0.00 0.00 0.00 33 A 8.19 4.34 1.26 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 0.00 0.00 34 A 8.56 4.61 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.50 4.67 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 36 E 8.35 4.55 0.00 1.87 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 2.19 2.25 0.00 37 V 8.18 4.05 1.91 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 0.58 0.00 0.00 0.11 0.00 0.00 38 H 8.49 4.79 0.00 3.13 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.70 4.75 0.00 4.03 3.86 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 40 W 8.61 5.51 0.00 3.39 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 41 S 8.80 4.69 0.00 3.98 3.84 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 42 F 8.26 4.87 0.00 2.62 2.62 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 0.00 0.00 0.00 0.00 43 N 7.29 4.71 0.00 2.49 2.39 0.00 0.00 6.79 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.05 4.54 0.00 3.88 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 45 Q 8.33 4.34 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 46 L 8.76 4.52 0.00 1.46 1.44 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00