NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -18 M 4.3489 8.3044 120.3480 55.6599 32.6626 175.6163 -17 N 4.8214 8.3058 130.2750 51.1285 38.4270 173.1708 -16 S 4.5356 7.7094 114.1615 57.8165 65.1718 173.6780 -15 V 3.9159 8.0883 123.0522 64.3380 31.4181 177.9889 -14 K 4.0369 7.8765 119.0453 58.8401 32.0487 178.1772 -13 E 3.9564 8.0142 119.3545 59.0955 29.7355 178.3895 -12 L 4.2011 7.7212 118.4201 57.2160 41.6082 179.0872 -11 N 4.3357 7.8488 116.9365 56.0244 38.1700 177.5848 -10 V 3.5551 7.0937 118.7298 66.0010 31.8991 177.9332 -9 K 4.1011 7.6420 116.8418 59.8148 31.7825 178.6445 -8 E 3.9984 8.4561 119.1901 59.5314 29.4963 178.9722 -7 M 3.9544 8.1474 116.6405 58.8727 30.8321 177.9460 -6 K 3.8677 7.9573 119.6689 59.5496 32.2984 177.0047 -5 Q 4.4223 7.7180 116.4641 56.1164 28.7165 177.0752 -4 L 4.2105 7.8073 121.9056 57.8842 42.4172 178.5915 -3 H 4.0049 8.0944 116.2430 57.3945 30.7948 174.6214 -2 G 4.0664 7.2115 103.9345 43.9999 0.0000 173.4574 -1 G 3.9135 8.4561 109.4019 45.1061 0.0000 172.3558 -17 V 4.2014 7.9358 130.7750 60.2285 32.4270 174.2708 -16 N 4.8056 7.7994 117.1615 52.6165 40.2718 174.2780 -15 Y 4.3459 8.1783 124.1522 60.0380 36.3181 177.5889 -14 G 3.6769 7.9165 107.4453 47.7401 0.0000 176.4772 -13 N 4.3464 7.9942 117.8545 55.5955 38.7355 176.9895 -12 G 3.8211 7.8912 105.4201 47.2160 0.0000 176.3872 -11 V 3.7157 7.4788 117.4365 65.1244 32.1700 178.6848 -10 S 3.9051 7.3737 115.2298 62.1010 62.7991 176.2332 -9 C 4.3311 7.6720 115.0418 61.8148 26.6825 176.6445 -8 S 4.1184 8.3461 114.6901 61.2314 63.3963 176.9722 -7 K 3.7944 8.1574 117.4405 59.6727 31.0321 178.2460 -6 T 3.8977 7.8173 112.8689 65.1496 68.9984 175.1047 -5 K 4.4023 7.6880 117.0641 56.6164 32.4165 177.6752 -4 C 4.4205 7.9673 118.7057 60.9842 28.0172 175.5915 -3 S 3.7449 7.9844 113.7430 60.6945 65.5948 175.1214 -2 V 4.2264 6.9115 114.3344 61.0999 32.0569 174.8574 -1 N 4.6935 8.5261 119.3019 53.1061 40.9599 172.6558 18 W 4.7163 8.1365 124.7234 58.3691 31.5208 175.0653 19 G 3.9187 7.8852 101.8379 46.8904 0.0000 175.3772 20 Q 4.0007 8.1824 119.5069 58.5003 29.0314 178.5903 21 A 4.2443 7.8340 119.5732 53.6032 18.6213 178.9350 22 F 3.8243 8.0920 120.6013 61.1524 39.3869 177.1538 23 Q 4.1695 8.2879 117.3035 58.1610 28.4968 178.4298 24 E 3.9857 7.9351 119.7178 59.6467 29.6412 179.3468 25 R 3.9097 7.8749 117.8741 59.2402 29.8697 178.5697 26 Y 3.7498 7.5393 118.2566 60.6169 38.7126 178.1413 27 T 3.9627 7.7286 116.7196 66.5636 68.5197 176.9509 28 A 4.1312 8.1876 122.7463 54.7744 18.3309 180.0232 29 G 3.4748 8.2382 104.6120 48.2196 0.0000 176.1193 30 I 3.9246 7.4918 123.3484 63.6241 37.1854 177.9071 31 N 4.2456 8.1107 118.0156 57.0560 38.9433 176.8884 32 S 4.1501 7.7494 114.0206 61.2602 62.2435 176.1637 33 F 4.1879 7.9887 120.6383 61.1199 38.4703 176.7470 34 V 3.6295 8.5243 118.0786 65.7073 31.1257 177.7464 35 S 4.6226 8.2760 111.9142 62.2740 62.8253 177.3573 36 G 3.9786 7.4738 108.2212 47.5766 0.0000 174.7012 37 V 3.9439 7.7741 120.5467 64.8876 31.7100 177.3958 38 A 4.2569 9.5852 123.0849 54.2972 19.3890 178.5882 39 S 4.2846 7.9760 109.0849 58.9285 62.9544 174.7201 40 G 4.1823 8.2168 105.4185 46.5459 0.0000 175.0079 41 A 3.8451 7.5108 120.5992 52.4442 16.5606 177.5075 42 G 4.2671 7.9570 104.7449 46.7114 0.0000 174.4617 43 S 4.4116 8.3789 115.6702 57.2259 64.5786 173.5169 44 I 3.2783 7.6127 120.1558 62.3793 36.0173 173.6116 45 G 4.0596 7.9466 102.5783 45.0986 0.0000 173.7398 46 R 4.0154 8.2194 121.8851 56.2882 30.9701 175.6301 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 -18 M 8.30 4.35 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 -17 N 8.31 4.82 0.00 2.80 2.75 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -16 S 7.71 4.54 0.00 3.89 3.69 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 8.09 3.92 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 0.94 0.00 0.00 0.93 0.00 0.00 -14 K 7.88 4.04 0.00 1.85 1.77 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.48 7.81 -13 E 8.01 3.96 0.00 2.11 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 0.00 2.36 2.44 0.00 -12 L 7.72 4.20 0.00 1.85 1.69 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 -11 N 7.85 4.34 0.00 2.97 2.86 0.00 0.00 6.78 8.97 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 -10 V 7.09 3.56 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 0.82 0.00 0.00 0.95 0.00 0.00 -9 K 7.64 4.10 0.00 1.88 1.84 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.48 7.81 -8 E 8.46 4.00 0.00 2.18 1.94 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 2.33 2.46 0.00 -7 M 8.15 3.95 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.81 0.00 -6 K 7.96 3.87 0.00 1.97 1.86 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.50 7.81 -5 Q 7.72 4.42 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 -4 L 7.81 4.21 0.00 1.82 1.64 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.09 4.00 0.00 3.15 3.30 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 G 7.21 4.07 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 0.00 0.00 0.00 -1 G 8.46 3.91 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 0.00 0.00 0.00 -17 V 7.94 4.20 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 1.07 0.00 0.00 0.93 0.00 0.00 -16 N 7.80 4.81 0.00 2.83 2.57 0.00 0.00 6.62 7.71 0.00 0.00 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 Y 8.18 4.35 0.00 2.94 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 7.92 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 0.00 0.00 0.00 -13 N 7.99 4.35 0.00 2.88 2.70 0.00 0.00 7.25 6.66 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 -12 G 7.89 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 0.00 0.00 0.00 -11 V 7.48 3.72 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 1.06 0.00 0.00 0.93 0.00 0.00 -10 S 7.37 3.91 0.00 3.52 3.76 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 -9 C 7.67 4.33 0.00 2.97 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 -8 S 8.35 4.12 0.00 4.01 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 -7 K 8.16 3.79 0.00 1.93 2.08 0.00 0.61 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.71 7.81 -6 T 7.82 3.90 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 -5 K 7.69 4.40 0.00 1.74 1.86 0.00 0.61 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.42 7.81 -4 C 7.97 4.42 0.00 3.13 2.95 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 0.00 0.00 0.00 -3 S 7.98 3.74 0.00 3.75 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 -2 V 6.91 4.23 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 0.69 0.00 0.00 0.93 0.00 0.00 -1 N 8.53 4.69 0.00 2.55 2.49 0.00 0.00 6.59 7.67 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 18 W 8.14 4.72 0.00 3.22 3.10 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 0.00 0.00 0.00 0.00 19 G 7.89 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 20 Q 8.18 4.00 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 21 A 7.83 4.24 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.09 3.82 0.00 3.05 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.29 4.17 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 24 E 7.94 3.99 0.00 2.14 1.98 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 2.41 2.41 0.00 25 R 7.87 3.91 0.00 1.67 1.83 0.00 3.00 0.00 0.00 2.93 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 26 Y 7.54 3.75 0.00 3.16 2.98 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 27 T 7.73 3.96 4.37 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 1.23 0.00 0.00 28 A 8.19 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 3.92 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.68 0.91 0.00 0.00 31 N 8.11 4.25 0.00 2.93 2.96 0.00 0.00 6.78 7.67 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 32 S 7.75 4.15 0.00 3.79 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 33 F 7.99 4.19 0.00 3.27 2.95 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 0.00 0.00 0.00 34 V 8.52 3.63 2.24 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 1.15 0.00 0.00 1.00 0.00 0.00 35 S 8.28 4.62 0.00 4.32 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 36 G 7.47 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 0.00 0.00 0.00 37 V 7.77 3.94 2.23 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 1.02 0.00 0.00 1.02 0.00 0.00 38 A 9.59 4.26 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 39 S 7.98 4.28 0.00 3.85 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 40 G 8.22 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.51 3.85 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 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 0.00 0.00 0.00 0.00 43 S 8.38 4.41 0.00 3.98 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 0.00 44 I 7.61 3.28 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.91 0.00 0.00 45 G 7.95 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.22 4.02 0.00 2.01 1.93 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00