NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2844 0.0000 0.0000 62.3298 32.9114 175.6415 2 A 4.3756 7.3006 114.3319 51.0376 20.7941 176.8784 3 Q 4.0651 8.5906 121.3110 60.0820 30.0134 173.9975 4 D 4.6747 7.4314 115.5053 52.9415 44.3814 174.8933 5 Y 3.9834 8.7874 118.1532 60.0890 37.8802 178.5891 6 R 4.1527 8.4830 116.0270 58.2159 29.5667 176.4053 7 C 4.5791 8.2002 117.6827 56.2288 45.2922 172.8987 8 Q 4.2148 8.6509 115.3300 55.4481 29.4673 178.6318 9 L 3.5645 9.0350 127.0024 56.0961 41.8743 173.6937 10 S 4.8757 8.3137 111.6878 57.7032 65.0080 174.4513 11 R 4.1470 8.3012 116.3344 54.8147 31.6689 176.4456 12 N 4.1520 8.4627 116.4670 53.1446 37.5700 172.5518 13 Y 4.0664 8.0474 125.4009 55.4524 44.7615 173.1924 14 G 4.2815 8.7608 111.3458 45.8837 0.0000 173.9021 15 K 3.7677 7.7298 118.6598 57.2848 33.0024 176.5618 16 G 3.9198 7.7444 108.4720 44.9125 0.0000 172.8706 17 S 4.5654 8.9775 120.5519 59.0951 64.4488 175.4537 18 G 3.7945 7.9374 106.6918 43.2596 0.0000 170.4844 19 S 3.7188 8.1624 117.5192 58.5918 63.1303 171.3758 20 F 4.1993 9.5018 123.4929 57.5741 40.1642 172.9442 21 T 3.3384 7.9794 123.1132 63.2547 65.1127 169.9661 22 N 5.3816 9.1219 123.5840 51.8468 43.6194 172.9822 23 Y 5.4272 10.1212 118.1466 57.5087 40.8087 174.8604 24 Y 5.4124 9.4901 119.1966 55.8441 42.0419 173.8321 25 Y 4.5664 9.0354 122.9338 56.8039 39.4333 174.3398 26 D 4.5273 8.1626 129.0800 52.8881 42.0471 176.1656 27 K 3.9543 8.5775 125.1237 56.9984 32.7837 177.3367 28 A 4.4100 8.1266 123.7965 53.3423 19.7336 178.5182 29 T 4.3417 7.6231 106.9595 60.8252 68.7623 173.4323 30 S 3.4203 7.6987 115.4180 59.4754 61.1315 171.6652 31 S 4.6240 6.7536 111.2720 57.2514 66.7454 173.3773 32 C 4.9102 8.5519 118.2786 56.2169 39.4315 172.9708 33 K 4.7471 8.6142 124.7210 54.9988 36.1260 174.5567 34 T 5.1736 8.0540 111.8119 60.5055 71.2085 173.6997 35 F 4.8864 9.4247 114.2682 55.9816 40.9579 175.4284 36 R 4.0701 8.6113 119.8213 57.7560 30.7133 178.2618 37 Y 2.0000 7.2585 117.4983 56.5488 38.3020 169.7168 38 R 4.0826 7.6053 121.5196 57.0403 28.5506 177.2052 39 G 4.5404 7.8874 110.2351 46.1351 0.0000 174.6762 40 S 4.6017 8.3221 116.9746 54.2744 61.6165 173.0311 41 G 3.2630 7.5226 108.1825 45.4268 0.0000 173.6028 42 G 3.2910 7.2853 110.9540 43.3779 0.0000 174.4398 43 N 4.6859 7.9992 128.3074 51.4448 37.4520 173.8165 44 G 4.4027 7.3140 107.2671 43.8261 0.0000 171.2844 45 N 4.5702 8.9936 119.9448 52.2909 37.1163 173.5887 46 R 4.3475 8.2018 123.2069 56.0134 31.3932 175.0699 47 F 4.9792 9.4621 124.4872 55.6873 41.8480 176.3373 48 K 4.5860 9.5707 123.3394 58.6791 32.4552 177.6489 49 T 4.2105 7.4795 107.0935 58.9437 73.0970 174.2826 50 L 3.7131 6.7353 122.5624 57.4592 42.0514 178.7438 51 E 3.9566 7.6504 118.7056 58.5093 29.4119 178.6201 52 D 4.1644 7.6003 118.7377 57.2381 41.3660 177.1589 53 C 2.9351 7.8111 119.1662 59.3755 37.7235 175.5095 54 E 3.6688 8.9123 119.9274 59.3964 29.2669 178.1079 55 A 4.3535 7.5161 122.7076 55.0250 18.0807 179.3958 56 T 3.6852 7.6067 110.5177 65.2347 67.8808 175.7600 57 C 4.1294 8.0303 120.1761 59.6429 43.5498 175.7601 58 V 3.5050 7.3572 118.2827 65.6328 31.6013 177.1309 59 T 4.2491 8.3788 108.8114 63.3121 69.2374 176.6999 60 A 3.9561 7.7813 122.3140 52.5475 18.5434 177.0832 61 E 4.0830 7.6980 121.2925 57.0493 30.2514 174.2290 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 P 0.00 4.28 0.00 2.21 2.24 0.00 3.51 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 2 A 7.30 4.38 1.20 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 0.00 0.00 3 Q 8.59 4.07 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 4 D 7.43 4.67 0.00 2.77 2.55 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 0.00 5 Y 8.79 3.98 0.00 3.09 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 6 R 8.48 4.15 0.00 2.00 2.18 0.00 3.07 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 7 C 8.20 4.58 0.00 2.81 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 8 Q 8.65 4.21 0.00 2.04 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 5.55 0.00 0.00 0.00 0.00 0.00 2.26 1.87 0.00 9 L 9.03 3.56 0.00 1.84 1.75 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.31 4.88 0.00 4.02 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 11 R 8.30 4.15 0.00 1.37 2.24 0.00 3.40 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 12 N 8.46 4.15 0.00 3.04 2.81 0.00 0.00 6.79 7.54 0.00 0.00 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 Y 8.05 4.07 0.00 2.85 2.81 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 0.00 0.00 0.00 14 G 8.76 4.28 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 0.00 15 K 7.73 3.77 0.00 1.79 1.86 0.00 1.92 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.43 7.81 16 G 7.74 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.98 4.57 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 3.72 0.00 4.10 3.94 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 F 9.50 4.20 0.00 3.04 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 21 T 7.98 3.34 4.26 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 1.17 0.00 0.00 22 N 9.12 5.38 0.00 2.78 3.21 0.00 0.00 6.60 7.13 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 23 Y 10.12 5.43 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.49 5.41 0.00 2.62 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 0.00 0.00 0.00 0.00 25 Y 9.04 4.57 0.00 2.93 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 26 D 8.16 4.53 0.00 2.18 2.27 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 0.00 27 K 8.58 3.95 0.00 1.93 1.99 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.33 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.48 7.81 28 A 8.13 4.41 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.62 4.34 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 30 S 7.70 3.42 0.00 4.02 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.75 4.62 0.00 3.73 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 32 C 8.55 4.91 0.00 2.83 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 K 8.61 4.75 0.00 1.60 1.21 0.00 1.45 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.34 7.81 34 T 8.05 5.17 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35 F 9.42 4.89 0.00 3.01 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.61 4.07 0.00 1.84 2.00 0.00 3.37 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 37 Y 7.26 2.00 0.00 2.41 2.76 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 0.00 0.00 0.00 0.00 38 R 7.61 4.08 0.00 1.81 1.96 0.00 3.12 0.00 0.00 3.44 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 39 G 7.89 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.32 4.60 0.00 3.88 3.82 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 0.00 0.00 0.00 0.00 41 G 7.52 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 0.00 0.00 0.00 42 G 7.29 3.29 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 0.00 0.00 0.00 0.00 43 N 8.00 4.69 0.00 2.70 2.79 0.00 0.00 6.90 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 G 7.31 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.99 4.57 0.00 2.70 2.79 0.00 0.00 7.34 8.02 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 46 R 8.20 4.35 0.00 2.06 1.78 0.00 3.04 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 47 F 9.46 4.98 0.00 3.24 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 48 K 9.57 4.59 0.00 1.80 1.95 0.00 1.64 0.00 0.00 2.61 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.49 7.81 49 T 7.48 4.21 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 1.21 0.00 0.00 50 L 6.74 3.71 0.00 1.49 0.83 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.65 3.96 0.00 2.15 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 0.00 2.20 2.13 0.00 52 D 7.60 4.16 0.00 2.72 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 C 7.81 2.94 0.00 2.19 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.91 3.67 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 55 A 7.52 4.35 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.61 3.69 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 1.30 0.00 0.00 57 C 8.03 4.13 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.36 3.50 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 1.03 0.00 0.00 1.01 0.00 0.00 59 T 8.38 4.25 4.20 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 1.18 0.00 0.00 60 A 7.78 3.96 1.38 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 0.00 0.00 0.00 61 E 7.70 4.08 0.00 2.05 1.92 0.00 0.00 0.00 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 2.31 0.00