NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4503 8.1633 120.6663 56.0215 35.3842 175.3872 2 Y 4.6931 7.9947 116.6473 57.0584 37.6269 173.2617 3 Y 4.9170 9.4416 122.7858 55.9479 42.7963 174.4868 4 L 5.4714 8.4254 121.1867 53.1218 45.2393 175.9375 5 V 5.2035 9.4953 121.8768 60.2613 35.1734 175.0535 6 V 4.6752 9.1799 115.6070 59.7368 35.4727 174.1282 7 N 5.6862 10.2538 125.8622 52.5500 40.5045 173.8322 8 K 4.8475 8.7267 126.4012 54.0489 35.5650 175.1094 9 G 4.3423 8.7326 115.5755 45.8632 0.0000 174.1100 10 Q 4.6069 9.1085 122.3010 56.3286 31.0009 175.4561 11 N 4.9642 7.6536 115.9984 51.4219 39.3598 174.1161 12 A 4.0117 7.7502 116.2585 50.9834 22.0403 175.6349 13 F 5.4684 7.7856 118.4140 54.3259 40.0591 174.0882 14 Y 4.9063 8.7000 124.3191 55.6831 42.1555 173.2089 15 E 4.7196 8.4362 126.5513 54.6865 32.8957 174.4686 16 T 4.8805 8.7536 115.9247 59.7617 72.8753 172.5589 17 L 5.6286 8.7127 123.1776 53.5881 42.3216 175.4109 18 T 4.6265 7.8942 117.2790 59.5535 71.5224 172.6798 19 K 4.7045 8.6033 125.8258 56.4515 32.4283 176.7450 20 A 4.5149 9.3260 127.1929 51.2102 19.6553 175.8323 21 V 3.6641 8.1000 119.7691 63.5732 30.8355 171.7256 22 D 5.0658 7.3250 117.8105 52.2901 43.6362 174.2668 23 A 3.9292 7.8834 117.9310 54.4765 18.4571 179.3347 24 E 4.2160 7.9798 115.9824 59.1755 29.7511 179.8959 25 T 3.7062 7.8602 115.5139 66.3509 68.8096 176.2886 26 A 4.0080 7.6616 121.4460 54.3626 18.1329 179.6866 27 R 4.2930 8.4370 118.2823 59.1875 30.3693 177.7491 28 N 4.4091 9.0048 117.2271 55.9170 39.2139 176.9004 29 A 4.0685 8.5824 122.6741 55.1300 18.4337 179.4140 30 F 4.6336 7.9326 117.9522 61.7931 39.5195 176.8695 31 I 2.0000 7.3658 118.5327 63.9035 37.3672 177.7838 32 Q 3.8133 7.5473 117.5834 59.0817 28.4506 178.8598 33 S 4.1791 7.7465 114.7711 61.4860 62.9369 176.4667 34 L 4.2418 8.8062 125.6055 57.6338 41.5538 179.1524 35 K 3.9632 7.7835 117.6474 58.9163 32.0862 178.3151 36 D 4.3576 8.0437 118.2064 56.9902 40.9541 177.7464 37 D 4.4333 7.2986 118.2472 55.2201 42.3445 177.6533 38 G 4.0891 7.2695 105.1159 43.7336 0.0000 173.0607 39 V 3.6159 7.9415 120.8890 65.1228 31.7160 179.3538 40 Q 3.7390 7.5557 118.0806 57.6632 28.8418 177.6679 41 G 4.2079 7.6820 105.5630 43.5084 0.0000 172.6011 42 V 4.4890 8.7653 119.8522 59.3207 33.8826 175.1682 43 W 6.1171 8.7850 120.9161 55.2269 30.2167 176.1867 44 T 4.7232 8.6572 110.5468 60.2665 70.3707 171.5981 45 Y 5.1398 8.5068 129.0935 56.3571 40.7877 173.5199 46 D 4.5946 7.5674 124.2922 52.7153 43.7302 176.1233 47 D 4.2678 8.4638 120.0899 55.1084 42.1064 177.5119 48 A 4.0762 7.9159 121.2252 54.7056 18.6046 177.9919 49 T 4.1345 7.5856 103.9083 61.7562 69.8712 175.1674 50 K 4.0401 7.7871 120.2896 57.1715 29.6877 175.4002 51 T 4.8332 7.1101 107.1770 60.0326 72.4770 172.7030 52 F 5.0344 8.5597 122.3450 56.1652 42.1372 175.1490 53 T 5.5138 8.2369 117.6603 61.0133 71.0636 173.5504 54 V 4.3592 8.7287 127.6831 62.6546 31.6498 173.2512 55 Q 5.5761 9.8444 128.6506 53.3858 31.6357 175.2403 56 A 4.3445 8.5216 127.6398 52.3245 19.3845 176.3625 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 8.16 4.45 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.71 0.00 2 Y 7.99 4.69 0.00 2.82 2.75 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 0.00 0.00 0.00 0.00 3 Y 9.44 4.92 0.00 3.38 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 4 L 8.43 5.47 0.00 1.62 1.65 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.50 5.20 1.80 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 0.70 0.00 0.00 1.16 0.00 0.00 6 V 9.18 4.68 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 0.86 0.00 0.00 1.03 0.00 0.00 7 N 10.25 5.69 0.00 3.08 3.17 0.00 0.00 6.64 6.03 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 8 K 8.73 4.85 0.00 1.94 1.67 0.00 1.66 0.00 0.00 1.94 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.55 7.81 9 G 8.73 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 0.00 0.00 0.00 0.00 10 Q 9.11 4.61 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.45 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 11 N 7.65 4.96 0.00 2.65 2.72 0.00 0.00 6.81 8.01 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 12 A 7.75 4.01 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 13 F 7.79 5.47 0.00 3.03 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 14 Y 8.70 4.91 0.00 2.97 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 4.72 0.00 1.91 1.70 0.00 0.00 0.00 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 2.36 0.00 16 T 8.75 4.88 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 17 L 8.71 5.63 0.00 1.71 1.82 0.94 0.68 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 18 T 7.89 4.63 4.17 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 0.19 0.00 0.00 19 K 8.60 4.70 0.00 1.63 1.83 0.00 1.46 0.00 0.00 1.53 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.28 7.81 20 A 9.33 4.51 1.40 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 21 V 8.10 3.66 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 0.73 0.00 0.00 0.97 0.00 0.00 22 D 7.33 5.07 0.00 2.76 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 3.93 1.18 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 24 E 7.98 4.22 0.00 2.07 2.04 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 2.41 2.46 0.00 25 T 7.86 3.71 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 26 A 7.66 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 4.29 0.00 1.99 2.09 0.00 3.63 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 28 N 9.00 4.41 0.00 2.88 2.79 0.00 0.00 7.13 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 29 A 8.58 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 4.63 0.00 3.19 3.33 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 31 I 7.37 2.00 1.28 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.09 0.80 0.00 0.00 32 Q 7.55 3.81 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 33 S 7.75 4.18 0.00 4.14 4.09 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 34 L 8.81 4.24 0.00 1.27 1.67 0.36 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.78 3.96 0.00 1.81 1.68 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.62 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 1.12 7.81 36 D 8.04 4.36 0.00 2.74 2.82 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 37 D 7.30 4.43 0.00 1.95 1.54 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 38 G 7.27 4.09 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 0.00 0.00 0.00 39 V 7.94 3.62 2.02 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 0.77 0.00 0.00 0.84 0.00 0.00 40 Q 7.56 3.74 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 G 7.68 4.21 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 0.00 42 V 8.77 4.49 2.05 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 0.98 0.00 0.00 0.91 0.00 0.00 43 W 8.78 6.12 0.00 3.47 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 4.72 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 1.32 0.00 0.00 45 Y 8.51 5.14 0.00 2.48 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 46 D 7.57 4.59 0.00 2.55 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 0.00 0.00 0.00 47 D 8.46 4.27 0.00 2.61 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 48 A 7.92 4.08 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 49 T 7.59 4.13 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 1.10 0.00 0.00 50 K 7.79 4.04 0.00 1.99 2.14 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.53 7.81 51 T 7.11 4.83 4.17 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 1.25 0.00 0.00 52 F 8.56 5.03 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 0.00 0.00 0.00 53 T 8.24 5.51 4.33 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 1.36 0.00 0.00 54 V 8.73 4.36 2.29 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 1.29 0.00 0.00 0.96 0.00 0.00 55 Q 9.84 5.58 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 56 A 8.52 4.34 1.29 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