NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2501 8.2601 123.5836 51.4514 20.6168 176.7950 4 A 4.0981 7.7080 118.9828 50.6115 19.6067 176.1807 5 S 4.5481 8.4197 114.6142 57.4056 65.8390 173.4049 6 Y 3.9573 8.3673 124.3177 60.9028 38.6489 177.2265 7 D 4.3873 8.2574 117.9749 56.8986 41.3297 177.9295 8 Q 3.9763 7.8626 118.4805 58.8658 28.8292 178.0571 9 L 3.9700 7.9389 120.0654 57.3825 41.4181 179.3024 10 L 3.7443 7.6304 120.4997 58.0294 42.0670 179.0430 11 K 3.9560 8.1825 119.6112 59.3078 32.0615 178.8851 12 Q 4.0025 8.0457 118.7660 58.5203 28.5511 178.5189 13 V 3.4953 7.9505 119.5323 66.0837 31.6237 177.6484 14 E 3.9154 7.8444 118.0876 59.5098 29.2720 179.4575 15 A 3.9593 8.0047 120.2864 55.2837 18.4546 179.6732 16 L 3.9173 7.8783 117.4831 57.9030 41.6830 180.0032 17 K 3.9703 8.4953 118.8934 59.4652 31.9542 179.0782 18 M 4.0042 8.1713 118.4651 58.7857 32.2388 178.1220 19 E 3.9679 8.3882 118.8904 59.5620 29.6213 179.1436 20 N 4.3448 8.5518 116.9066 56.2808 38.6278 177.3671 21 S 4.0927 8.1596 114.5564 61.5518 62.4674 176.0759 22 N 4.4009 8.1156 119.1813 56.1128 38.2185 177.4983 23 L 3.9945 8.0802 120.5316 57.7899 41.6466 179.6557 24 R 3.9149 8.1056 118.0322 59.3895 30.0293 178.8729 25 Q 3.9469 8.0252 119.0919 59.2686 28.9785 178.2558 26 E 4.0653 8.3140 119.7140 59.3208 29.3964 179.2956 27 L 4.0686 8.3192 119.5735 57.5960 41.6106 179.4695 28 E 3.9132 8.3267 118.7037 59.5369 29.3480 178.8654 29 D 4.2973 8.4488 119.2524 57.6123 40.9664 178.5784 30 N 4.3432 8.5799 117.7165 56.6286 38.8063 176.6688 31 S 4.0706 8.2380 114.8516 61.5567 62.5930 175.8249 32 N 4.2425 7.9755 118.9959 56.8687 38.2572 177.1582 33 H 4.3408 7.6851 117.4370 58.5771 28.7165 177.8699 34 L 3.9765 8.0390 120.8932 58.0574 41.4486 179.5132 35 T 4.0349 8.0086 117.0511 66.0360 68.4606 176.1900 36 K 3.7939 7.8444 120.8401 59.9292 32.1090 178.6364 37 L 4.0426 7.9674 118.8964 57.8093 41.3987 179.3863 38 E 4.0289 8.5740 119.0941 59.5791 29.4046 179.4692 39 T 3.9728 8.6216 116.2950 66.5217 68.4922 176.3663 40 E 3.9215 8.3048 121.1023 59.0567 29.5857 178.7221 41 A 3.9779 8.0482 120.8055 55.3651 18.4917 179.6636 42 S 4.0658 8.1745 113.7186 61.8476 62.8346 176.5708 43 N 4.3124 8.2984 119.6214 56.7764 38.6944 176.5486 44 M 3.9950 8.1633 119.6376 58.5108 32.4614 178.1166 45 K 3.9195 8.3800 120.1227 59.5399 32.5208 178.3814 46 E 3.9420 8.6183 120.0590 59.2713 29.5011 178.9949 47 V 3.6235 8.2287 118.7869 65.9536 31.5289 178.0890 48 L 4.0072 8.1244 118.7960 57.3005 41.3462 179.5110 49 K 3.9230 7.9599 119.5483 59.7033 32.0058 178.9686 50 Q 4.0240 7.7287 116.6180 58.8887 28.8690 178.5256 51 L 4.1255 8.1235 120.1474 57.7761 40.2668 179.2075 52 Q 4.1246 8.4943 120.0412 59.0348 28.6780 177.8715 53 G 3.9158 7.8082 104.0040 45.1820 0.0000 174.5326 54 S 4.5855 7.8852 117.5975 59.2891 64.5116 173.9132 55 I 4.0067 7.0206 122.2971 60.9558 37.7477 174.8277 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 3 A 8.26 4.25 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 4 A 7.71 4.10 1.27 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 5 S 8.42 4.55 0.00 3.93 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 6 Y 8.37 3.96 0.00 3.12 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 7 D 8.26 4.39 0.00 2.87 2.68 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 8 Q 7.86 3.98 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 9 L 7.94 3.97 0.00 1.61 1.58 0.90 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.63 3.74 0.00 1.67 1.73 0.76 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.18 3.96 0.00 1.92 1.76 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 12 Q 8.05 4.00 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 13 V 7.95 3.50 2.15 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 1.03 0.00 0.00 0.89 0.00 0.00 14 E 7.84 3.92 0.00 2.11 1.99 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 2.32 2.49 0.00 15 A 8.00 3.96 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 16 L 7.88 3.92 0.00 1.94 1.72 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.50 3.97 0.00 1.88 1.85 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 18 M 8.17 4.00 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 19 E 8.39 3.97 0.00 2.15 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 2.32 2.35 0.00 20 N 8.55 4.34 0.00 2.83 2.86 0.00 0.00 6.67 7.17 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 21 S 8.16 4.09 0.00 4.09 3.95 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 22 N 8.12 4.40 0.00 2.97 2.84 0.00 0.00 7.05 6.79 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 23 L 8.08 3.99 0.00 1.84 1.71 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.11 3.91 0.00 2.01 1.98 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 25 Q 8.03 3.95 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 26 E 8.31 4.07 0.00 2.24 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 2.33 2.55 0.00 27 L 8.32 4.07 0.00 1.82 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.33 3.91 0.00 2.17 1.97 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 2.31 2.51 0.00 29 D 8.45 4.30 0.00 2.66 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 30 N 8.58 4.34 0.00 2.76 3.03 0.00 0.00 6.90 7.31 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 31 S 8.24 4.07 0.00 4.05 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 32 N 7.98 4.24 0.00 2.69 2.76 0.00 0.00 7.10 8.25 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 33 H 7.69 4.34 0.00 3.15 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.04 3.98 0.00 1.91 1.72 0.96 0.50 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 35 T 8.01 4.03 4.38 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 1.21 0.00 0.00 36 K 7.84 3.79 0.00 1.86 2.02 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.52 7.81 37 L 7.97 4.04 0.00 1.93 1.70 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.57 4.03 0.00 2.10 1.99 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 2.33 2.53 0.00 39 T 8.62 3.97 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 1.21 0.00 0.00 40 E 8.30 3.92 0.00 2.10 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 0.00 2.31 2.37 0.00 41 A 8.05 3.98 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 42 S 8.17 4.07 0.00 4.03 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.31 0.00 2.99 2.92 0.00 0.00 6.87 7.22 0.00 0.00 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 M 8.16 3.99 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 45 K 8.38 3.92 0.00 1.96 1.95 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 46 E 8.62 3.94 0.00 2.12 2.15 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 2.31 2.36 0.00 47 V 8.23 3.62 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 0.98 0.00 0.00 0.99 0.00 0.00 48 L 8.12 4.01 0.00 1.88 1.70 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.96 3.92 0.00 1.86 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 50 Q 7.73 4.02 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 51 L 8.12 4.13 0.00 1.86 1.71 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.49 4.12 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 53 G 7.81 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 54 S 7.89 4.59 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.02 4.01 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 1.16 0.70 0.91 0.00 0.00