#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jww n MET 2 N 0.00 3.92 -0.06 4.33 2.00 -1.26 -4.29 117.12 121.77 2jww n MET 2 Ca 0.00 -2.99 -0.10 0.00 0.00 0.00 0.00 57.70 54.60 2jww n MET 2 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 33.22 30.66 2jww n MET 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2jww n THR 3 N 1.74 0.62 0.04 2.03 -1.04 -1.24 -4.00 114.28 112.44 2jww n THR 3 Ca 0.60 -0.19 -0.01 0.00 -2.04 0.00 0.00 64.05 62.42 2jww n THR 3 Cb 0.34 -1.36 -0.08 0.00 -1.82 0.00 0.00 70.33 67.41 2jww n THR 3 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2jww h ASP 4 N -0.26 0.00 0.46 8.00 5.19 -2.00 -3.36 116.42 124.45 2jww h ASP 4 Ca -0.27 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 55.84 2jww h ASP 4 Cb 1.30 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.76 2jww h ASP 4 CO -0.12 0.62 -1.74 0.18 -3.12 0.00 0.00 179.24 175.05 2jww n LEU 5 N -2.94 0.96 -4.15 1.55 4.77 -1.26 -4.92 117.00 111.01 2jww n LEU 5 Ca -0.09 0.39 -0.18 0.00 -0.03 0.00 0.00 56.01 56.10 2jww n LEU 5 Cb 0.85 0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.92 2jww n LEU 5 CO 0.43 0.42 -0.45 -0.76 -1.33 0.00 0.00 177.39 175.70 2jww s LEU 6 N -6.13 2.24 -0.22 2.23 1.43 -1.26 -4.35 118.68 112.62 2jww s LEU 6 Ca -0.06 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 2jww s LEU 6 Cb 0.08 -0.50 -0.06 0.00 0.03 0.00 0.00 46.19 45.74 2jww s LEU 6 CO 0.82 -0.05 2.20 -1.20 0.23 0.00 0.00 176.35 178.35 2jww n SER 7 N 1.52 3.15 -0.21 2.29 7.64 -1.25 -3.59 113.62 123.17 2jww n SER 7 Ca -0.20 0.28 -0.07 0.00 1.01 0.00 0.00 58.87 59.89 2jww n SER 7 Cb 0.54 -1.51 0.03 0.00 -1.01 0.00 0.00 64.21 62.27 2jww n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jww h ALA 8 N 14.36 0.76 -0.48 -0.43 0.00 -1.71 -2.18 119.26 129.58 2jww h ALA 8 Ca -0.40 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 2jww h ALA 8 Cb 1.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2jww h ALA 8 CO 0.97 0.28 -0.05 1.05 0.00 0.00 0.00 179.25 181.49 2jww h GLU 9 N 0.80 0.88 0.07 0.00 4.11 -1.92 -2.33 114.58 116.19 2jww h GLU 9 Ca 0.21 -0.31 0.02 0.00 0.07 0.00 0.00 59.36 59.35 2jww h GLU 9 Cb 0.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2jww h GLU 9 CO -0.03 0.95 -0.20 -0.44 0.07 0.00 0.00 179.01 179.35 2jww h ASP 10 N 0.73 -0.58 0.05 3.06 5.19 -1.72 0.68 116.42 123.83 2jww h ASP 10 Ca 0.13 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 2jww h ASP 10 Cb 0.58 0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.32 2jww h ASP 10 CO 0.04 -0.28 -0.04 0.40 -3.12 0.00 0.00 179.24 176.24 2jww h ILE 11 N -0.36 0.91 -0.33 0.35 2.04 -1.20 1.21 117.51 120.13 2jww h ILE 11 Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2jww h ILE 11 Cb 0.40 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2jww h ILE 11 CO -0.14 0.00 0.20 0.11 0.00 0.00 0.00 178.15 178.32 2jww h LYS 12 N -0.10 0.40 0.08 2.37 1.57 -1.21 1.11 116.57 120.79 2jww h LYS 12 Ca -0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2jww h LYS 12 Cb 0.09 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jww h LYS 12 CO -0.00 0.27 -0.04 0.87 -0.57 0.00 0.00 179.45 179.97 2jww h LYS 13 N 0.41 -0.10 0.34 3.15 1.57 0.64 -2.01 116.57 120.56 2jww h LYS 13 Ca 0.13 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2jww h LYS 13 Cb -0.02 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2jww h LYS 13 CO -0.05 0.09 -0.16 0.00 -0.57 0.00 0.00 179.45 178.76 2jww h ALA 14 N 0.62 -0.45 -0.78 3.86 0.00 0.17 0.77 119.26 123.44 2jww h ALA 14 Ca -0.01 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.86 2jww h ALA 14 Cb 0.25 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2jww h ALA 14 CO 0.02 -0.64 0.52 0.82 0.00 0.00 0.00 179.25 179.97 2jww h ILE 15 N -0.68 0.85 0.00 0.00 2.04 0.12 -2.99 117.51 116.84 2jww h ILE 15 Ca -0.05 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2jww h ILE 15 Cb 0.48 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2jww h ILE 15 CO 0.08 0.10 -0.81 0.61 0.00 0.00 0.00 178.15 178.12 2jww n GLY 16 N -1.48 -0.71 0.35 5.37 0.00 -0.76 -3.98 105.19 103.99 2jww n GLY 16 Ca 0.14 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.91 2jww n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jww n ALA 17 N -4.12 -0.02 -3.71 4.61 0.00 0.27 -4.14 120.51 113.39 2jww n ALA 17 Ca -0.12 0.94 -0.26 0.00 0.00 0.00 0.00 53.44 54.01 2jww n ALA 17 Cb 0.42 -0.46 -0.17 0.00 0.00 0.00 0.00 19.45 19.24 2jww n ALA 17 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2jww s PHE 18 N -5.95 0.72 -0.09 0.00 -0.71 -1.13 -4.98 117.98 105.84 2jww s PHE 18 Ca -0.13 -0.54 0.15 0.00 -1.04 0.00 0.00 56.93 55.37 2jww s PHE 18 Cb 0.20 -0.88 -0.18 0.00 -1.21 0.00 0.00 43.02 40.96 2jww s PHE 18 CO 0.67 -0.51 0.75 0.25 -1.34 0.00 0.00 175.22 175.04 2jww n THR 19 N 5.13 1.37 -0.25 -4.49 -2.24 -1.26 -4.22 114.28 108.32 2jww n THR 19 Ca -0.08 -0.74 0.04 0.00 -2.27 0.00 0.00 64.05 61.00 2jww n THR 19 Cb 0.48 -0.86 0.13 0.00 -2.10 0.00 0.00 70.33 67.98 2jww n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jww h ALA 20 N 1.24 0.68 0.15 6.98 0.00 -1.95 1.32 119.26 127.67 2jww h ALA 20 Ca -0.22 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jww h ALA 20 Cb 1.77 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 20.00 2jww h ALA 20 CO 0.06 -0.42 -0.24 0.00 0.00 0.00 0.00 179.25 178.64 2jww h ALA 21 N 1.70 -0.85 -0.43 0.00 0.00 -1.84 1.11 119.26 118.94 2jww h ALA 21 Ca 0.39 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.28 2jww h ALA 21 Cb 0.65 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2jww h ALA 21 CO -0.68 -0.89 0.29 0.22 0.00 0.00 0.00 179.25 178.20 2jww h ASP 22 N -0.41 0.30 -0.01 0.00 1.82 -1.60 1.31 116.42 117.83 2jww h ASP 22 Ca -0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2jww h ASP 22 Cb 0.38 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 2jww h ASP 22 CO -0.08 0.20 0.00 -1.28 -1.61 0.00 0.00 179.24 176.47 2jww h SER 23 N 0.34 0.01 0.00 2.28 0.87 0.27 -3.39 113.55 113.93 2jww h SER 23 Ca 0.19 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2jww h SER 23 Cb 0.32 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2jww h SER 23 CO -0.04 0.15 -0.35 0.33 -0.53 0.00 0.00 176.83 176.39 2jww n PHE 24 N -5.01 0.13 -3.69 2.24 7.35 0.37 -4.71 117.46 114.13 2jww n PHE 24 Ca -0.07 0.06 -0.29 0.00 -0.76 0.00 0.00 57.45 56.38 2jww n PHE 24 Cb 0.10 -0.29 -0.15 0.00 0.35 0.00 0.00 39.48 39.48 2jww n PHE 24 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2jww s ASP 25 N -4.67 3.82 0.00 -2.13 -1.08 0.44 -4.57 116.67 108.49 2jww s ASP 25 Ca -0.10 -1.48 0.15 0.00 -0.52 0.00 0.00 52.55 50.60 2jww s ASP 25 Cb 0.01 -0.72 0.66 0.00 -1.46 0.00 0.00 42.92 41.42 2jww s ASP 25 CO 0.15 -0.41 1.49 1.57 0.52 0.00 0.00 175.17 178.49 2jww n HIS 26 N 4.96 0.00 -0.18 -5.34 -0.00 -0.74 -3.80 115.22 110.12 2jww n HIS 26 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.55 2jww n HIS 26 Cb 0.42 -0.49 -0.10 0.00 -0.00 0.00 0.00 29.99 29.83 2jww n HIS 26 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2jww h LYS 27 N 0.00 -0.33 -0.88 1.57 1.79 -1.93 1.56 116.57 118.35 2jww h LYS 27 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2jww h LYS 27 Cb 0.26 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 2jww h LYS 27 CO 0.00 -0.22 0.56 0.87 -1.08 0.00 0.00 179.45 179.58 2jww h LYS 28 N -0.34 1.18 -0.20 3.15 1.79 -1.92 -0.61 116.57 119.63 2jww h LYS 28 Ca 0.09 -0.09 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 2jww h LYS 28 Cb 0.57 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2jww h LYS 28 CO -0.65 0.81 0.16 0.35 -1.08 0.00 0.00 179.45 179.05 2jww h PHE 29 N 1.21 0.00 -0.01 -1.35 3.04 -0.33 0.22 116.94 119.72 2jww h PHE 29 Ca 0.32 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.23 2jww h PHE 29 Cb -0.09 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 2jww h PHE 29 CO -0.00 0.00 -0.20 0.35 -2.02 0.00 0.00 178.31 176.43 2jww h PHE 30 N 0.00 0.02 0.23 0.41 3.57 0.36 0.97 116.94 122.50 2jww h PHE 30 Ca 0.09 -0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.27 2jww h PHE 30 Cb 0.42 -0.01 0.03 0.00 2.79 0.00 0.00 35.95 39.18 2jww h PHE 30 CO 0.00 0.22 -1.46 1.96 -2.23 0.00 0.00 178.31 176.80 2jww h GLN 31 N 0.02 0.48 -0.14 1.11 4.20 -0.59 -2.21 115.11 117.98 2jww h GLN 31 Ca 0.00 -0.82 -0.19 0.00 0.06 0.00 0.00 58.65 57.70 2jww h GLN 31 Cb 0.37 0.30 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 2jww h GLN 31 CO 0.03 1.39 -0.69 0.52 -0.67 0.00 0.00 178.83 179.41 2jww h MET 32 N 0.06 0.59 0.00 1.46 2.86 -0.90 -3.04 114.93 115.97 2jww h MET 32 Ca -0.27 -0.45 -0.03 0.00 -2.06 0.00 0.00 59.70 56.90 2jww h MET 32 Cb 2.09 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.82 2jww h MET 32 CO 0.24 1.07 -0.14 -0.24 1.06 0.00 0.00 176.91 178.89 2jww h VAL 33 N 0.42 0.58 0.00 -2.22 3.04 0.86 -3.41 116.25 115.51 2jww h VAL 33 Ca -0.02 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 2jww h VAL 33 Cb 1.27 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.96 2jww h VAL 33 CO 0.13 0.14 0.00 0.61 -1.01 0.00 0.00 177.57 177.44 2jww n GLY 34 N -0.57 1.03 0.14 3.17 0.00 -1.15 -2.74 105.19 105.07 2jww n GLY 34 Ca -0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 2jww n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jww h LEU 35 N 0.00 0.05 -0.74 0.99 3.38 -1.65 -2.45 115.31 114.88 2jww h LEU 35 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jww h LEU 35 Cb 0.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2jww h LEU 35 CO 0.00 0.65 0.00 0.29 0.09 0.00 0.00 178.44 179.47 2jww n LYS 36 N -3.82 1.48 -0.31 1.13 5.02 -1.25 -4.28 118.16 116.13 2jww n LYS 36 Ca -0.01 -0.73 0.15 0.00 -2.02 0.00 0.00 58.31 55.69 2jww n LYS 36 Cb 0.62 -1.32 0.33 0.00 -0.02 0.00 0.00 35.03 34.63 2jww n LYS 36 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2jww h LYS 37 N 1.42 0.37 0.00 1.97 3.64 -1.79 -3.42 116.57 118.76 2jww h LYS 37 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2jww h LYS 37 Cb 0.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2jww h LYS 37 CO 0.00 0.25 0.00 1.63 -2.27 0.00 0.00 179.45 179.06 2jww n LYS 38 N -5.05 0.00 -3.99 1.90 5.02 -1.26 -5.12 118.16 109.65 2jww n LYS 38 Ca 0.23 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 2jww n LYS 38 Cb 0.70 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.67 2jww n LYS 38 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jww n SER 39 N 0.00 -1.09 0.25 4.39 7.64 -1.26 -5.03 113.62 118.53 2jww n SER 39 Ca 0.00 -2.94 0.08 0.00 1.01 0.00 0.00 58.87 57.02 2jww n SER 39 Cb 0.00 2.15 0.62 0.00 -1.01 0.00 0.00 64.21 65.97 2jww n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jww h ALA 40 N 2.02 1.95 -0.00 -0.43 0.00 -1.90 -2.76 119.26 118.13 2jww h ALA 40 Ca -0.25 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2jww h ALA 40 Cb 1.15 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2jww h ALA 40 CO 0.35 0.04 -0.10 -0.44 0.00 0.00 0.00 179.25 179.09 2jww h ASP 41 N 0.00 -0.29 0.25 0.00 3.32 -1.97 0.37 116.42 118.10 2jww h ASP 41 Ca -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2jww h ASP 41 Cb 0.05 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2jww h ASP 41 CO 0.00 -0.15 -0.12 0.44 -1.72 0.00 0.00 179.24 177.70 2jww h ASP 42 N -0.17 -0.28 -0.83 6.45 5.19 -1.79 -2.98 116.42 122.00 2jww h ASP 42 Ca 0.04 -0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.38 2jww h ASP 42 Cb 0.22 0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.76 2jww h ASP 42 CO -0.11 -0.09 0.55 -0.37 -3.12 0.00 0.00 179.24 176.10 2jww h VAL 43 N -0.46 1.21 -0.81 -1.35 -1.51 -1.45 -2.22 116.25 109.67 2jww h VAL 43 Ca -0.03 -0.39 0.23 0.00 -1.23 0.00 0.00 66.70 65.28 2jww h VAL 43 Cb 0.35 -0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 29.47 2jww h VAL 43 CO 0.06 0.21 0.61 0.11 -1.23 0.00 0.00 177.57 177.32 2jww h LYS 44 N 1.12 0.00 -0.46 5.19 1.57 -0.09 -1.54 116.57 122.36 2jww h LYS 44 Ca 0.31 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.13 2jww h LYS 44 Cb -0.12 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 2jww h LYS 44 CO -0.07 0.00 0.22 0.87 -0.57 0.00 0.00 179.45 179.90 2jww h LYS 45 N 0.00 0.43 -0.33 3.15 6.56 -1.39 0.82 116.57 125.80 2jww h LYS 45 Ca 0.38 -0.03 0.10 0.00 -1.06 0.00 0.00 60.65 60.04 2jww h LYS 45 Cb 1.59 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 33.14 2jww h LYS 45 CO -0.00 0.28 0.36 -0.24 -2.06 0.00 0.00 179.45 177.79 2jww h VAL 46 N 0.44 0.42 -0.92 0.50 3.04 -1.45 -1.39 116.25 116.88 2jww h VAL 46 Ca 0.20 0.00 0.24 0.00 -1.01 0.00 0.00 66.70 66.14 2jww h VAL 46 Cb 0.12 0.71 -0.13 0.00 -2.01 0.00 0.00 31.29 29.98 2jww h VAL 46 CO -0.15 0.00 0.39 0.15 -1.01 0.00 0.00 177.57 176.95 2jww h PHE 47 N 0.00 0.63 -0.06 3.17 3.57 -0.93 0.79 116.94 124.10 2jww h PHE 47 Ca 0.16 0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.50 2jww h PHE 47 Cb 0.88 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 2jww h PHE 47 CO 0.00 -0.11 -0.80 0.45 -2.23 0.00 0.00 178.31 175.61 2jww h HIS 48 N 0.34 0.64 0.15 0.41 3.86 -1.37 1.59 115.15 120.77 2jww h HIS 48 Ca 0.59 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 2jww h HIS 48 Cb 1.20 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2jww h HIS 48 CO -0.14 1.09 -0.08 0.82 0.86 0.00 0.00 177.93 180.48 2jww h ILE 49 N 0.30 0.84 0.12 2.45 1.08 0.09 -0.42 117.51 121.98 2jww h ILE 49 Ca -0.05 0.00 -0.27 0.00 -0.39 0.00 0.00 64.86 64.16 2jww h ILE 49 Cb 1.40 0.84 0.03 0.00 -3.07 0.00 0.00 36.82 36.03 2jww h ILE 49 CO 0.14 0.00 -1.11 0.17 -0.69 0.00 0.00 178.15 176.66 2jww h LEU 50 N -0.21 0.77 -7.21 1.44 8.10 0.24 -3.39 115.31 115.06 2jww h LEU 50 Ca -0.02 -0.85 -0.67 0.00 0.11 0.00 0.00 57.88 56.46 2jww h LEU 50 Cb 0.16 -0.24 -0.38 0.00 -0.44 0.00 0.00 40.66 39.76 2jww h LEU 50 CO 0.03 1.54 -0.29 0.47 -4.11 0.00 0.00 178.44 176.08 2jww n ASP 51 N -3.90 3.73 -0.25 0.17 8.00 0.54 -4.86 116.55 119.98 2jww n ASP 51 Ca -0.14 -3.17 0.05 0.00 0.71 0.00 0.00 54.79 52.24 2jww n ASP 51 Cb 0.93 -0.93 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 2jww n ASP 51 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 2jww h LYS 52 N 5.71 0.10 0.00 -1.24 2.10 -1.24 1.04 116.57 123.05 2jww h LYS 52 Ca 0.16 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2jww h LYS 52 Cb 0.78 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 2jww h LYS 52 CO 0.80 0.07 0.00 0.22 -2.00 0.00 0.00 179.45 178.54 2jww h ASP 53 N 0.11 0.00 -5.51 7.07 3.58 -1.91 -3.46 116.42 116.29 2jww h ASP 53 Ca 0.40 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.57 2jww h ASP 53 Cb 0.70 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.64 2jww h ASP 53 CO -0.65 0.00 -0.40 1.17 -2.88 0.00 0.00 179.24 176.48 2jww n LYS 54 N -2.33 -2.51 -0.39 0.28 0.00 0.36 -4.69 118.16 108.88 2jww n LYS 54 Ca 0.01 0.23 0.34 0.00 0.00 0.00 0.00 58.31 58.90 2jww n LYS 54 Cb 0.21 -4.82 0.52 0.00 0.00 0.00 0.00 35.03 30.94 2jww n LYS 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2jww n SER 55 N -1.98 0.00 0.00 3.14 2.88 -1.26 -4.69 113.62 111.71 2jww n SER 55 Ca 0.01 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 2jww n SER 55 Cb 0.51 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2jww n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jww n GLY 56 N -1.67 0.89 3.59 0.46 0.00 -1.26 -5.03 105.19 102.17 2jww n GLY 56 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 2jww n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jww s PHE 57 N -2.17 -1.07 -0.03 1.61 0.40 -1.26 -3.53 117.98 111.94 2jww s PHE 57 Ca 0.00 2.07 -0.02 0.00 -0.60 0.00 0.00 56.93 58.38 2jww s PHE 57 Cb 0.00 0.62 -0.04 0.00 0.51 0.00 0.00 43.02 44.11 2jww s PHE 57 CO 0.00 -0.54 0.09 0.42 0.70 0.00 0.00 175.22 175.89 2jww s ILE 58 N 1.91 4.83 -0.21 0.64 1.01 -1.01 -4.97 121.20 123.41 2jww s ILE 58 Ca -0.09 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 2jww s ILE 58 Cb -0.07 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 2jww s ILE 58 CO -0.19 0.41 0.09 -1.61 0.00 0.00 0.00 174.94 173.64 2jww s GLU 59 N -1.57 3.95 0.32 2.79 2.02 -1.26 -2.57 118.70 122.37 2jww s GLU 59 Ca 0.21 -0.35 0.24 0.00 0.02 0.00 0.00 54.97 55.10 2jww s GLU 59 Cb -0.12 -3.32 1.06 0.00 0.10 0.00 0.00 34.13 31.85 2jww s GLU 59 CO 0.12 0.14 1.09 -0.85 0.02 0.00 0.00 175.26 175.78 2jww n GLU 60 N 3.96 -0.02 0.04 1.61 0.28 -1.25 0.19 120.64 125.45 2jww n GLU 60 Ca -0.16 0.86 -0.13 0.00 -0.16 0.00 0.00 57.16 57.57 2jww n GLU 60 Cb 0.52 -1.72 -0.09 0.00 1.43 0.00 0.00 31.44 31.58 2jww n GLU 60 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2jww h ASP 61 N 0.00 -0.10 0.90 -1.84 3.58 -1.92 -3.18 116.42 113.86 2jww h ASP 61 Ca 0.62 -0.31 -0.13 0.00 0.42 0.00 0.00 57.03 57.63 2jww h ASP 61 Cb 2.06 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 43.11 2jww h ASP 61 CO -0.29 0.27 -1.17 -0.33 -2.88 0.00 0.00 179.24 174.84 2jww h GLU 62 N -0.47 0.00 -0.53 0.28 4.39 0.17 -3.37 114.58 115.04 2jww h GLU 62 Ca -0.01 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.79 2jww h GLU 62 Cb 0.40 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.94 2jww h GLU 62 CO 0.02 0.29 -0.26 -0.07 -1.16 0.00 0.00 179.01 177.82 2jww h LEU 63 N 0.00 -0.91 -1.72 1.33 3.38 0.20 0.62 115.31 118.20 2jww h LEU 63 Ca -0.11 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jww h LEU 63 Cb 1.46 0.48 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2jww h LEU 63 CO 0.04 -0.27 0.00 1.23 0.09 0.00 0.00 178.44 179.53 2jww h GLY 64 N -0.14 0.00 0.00 0.83 0.00 -1.68 -0.58 103.07 101.50 2jww h GLY 64 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.40 2jww h GLY 64 CO -0.61 0.00 -1.13 -1.26 0.00 0.00 0.00 176.54 173.54 2jww n SER 65 N -2.51 1.86 0.26 0.19 2.88 0.17 -3.33 113.62 113.15 2jww n SER 65 Ca -0.01 0.48 0.18 0.00 -1.33 0.00 0.00 58.87 58.19 2jww n SER 65 Cb 0.08 -0.90 0.92 0.00 -0.75 0.00 0.00 64.21 63.57 2jww n SER 65 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 2jww h ILE 66 N -1.00 0.32 -0.73 2.46 6.09 -0.12 -1.96 117.51 122.57 2jww h ILE 66 Ca -0.24 0.00 0.21 0.00 -1.37 0.00 0.00 64.86 63.46 2jww h ILE 66 Cb 1.04 0.87 -0.03 0.00 0.47 0.00 0.00 36.82 39.17 2jww h ILE 66 CO -0.15 0.00 0.75 -0.07 -3.07 0.00 0.00 178.15 175.61 2jww h LEU 67 N 0.00 0.00 -1.62 2.19 -0.00 -1.27 0.19 115.31 114.79 2jww h LEU 67 Ca 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.95 2jww h LEU 67 Cb 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2jww h LEU 67 CO -0.00 0.00 0.49 0.11 -0.00 0.00 0.00 178.44 179.04 2jww h LYS 68 N 0.00 0.00 -1.00 1.13 1.57 -1.61 -2.26 116.57 114.40 2jww h LYS 68 Ca 0.35 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.28 2jww h LYS 68 Cb 1.84 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.99 2jww h LYS 68 CO -0.00 0.00 -0.41 0.78 -0.57 0.00 0.00 179.45 179.25 2jww h GLY 69 N 0.00 -0.01 0.07 3.86 0.00 -0.89 1.33 103.07 107.43 2jww h GLY 69 Ca 0.04 0.55 -0.40 0.00 0.00 0.00 0.00 47.33 47.52 2jww h GLY 69 CO -0.00 -0.18 -2.34 1.97 0.00 0.00 0.00 176.54 175.99 2jww n PHE 70 N -5.45 0.24 0.91 5.60 -1.74 -0.89 -4.40 117.46 111.73 2jww n PHE 70 Ca 0.09 0.07 0.08 0.00 -0.56 0.00 0.00 57.45 57.13 2jww n PHE 70 Cb 0.39 -1.03 0.44 0.00 1.52 0.00 0.00 39.48 40.80 2jww n PHE 70 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 2jww n SER 71 N -3.74 0.00 -0.05 5.98 3.41 -0.96 -3.75 113.62 114.50 2jww n SER 71 Ca -0.46 -0.39 0.24 0.00 -0.26 0.00 0.00 58.87 58.00 2jww n SER 71 Cb 0.93 -0.05 0.61 0.00 -0.26 0.00 0.00 64.21 65.45 2jww n SER 71 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2jww h SER 72 N 0.00 0.00 0.34 4.04 0.87 0.16 1.28 113.55 120.23 2jww h SER 72 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2jww h SER 72 Cb 0.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2jww h SER 72 CO 0.00 0.00 -1.73 0.47 -0.53 0.00 0.00 176.83 175.04 2jww n ASP 73 N -3.48 0.32 0.00 6.23 9.92 -1.25 -4.79 116.55 123.50 2jww n ASP 73 Ca 0.15 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 2jww n ASP 73 Cb 1.05 1.26 0.00 0.00 -0.64 0.00 0.00 41.12 42.79 2jww n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jww n ALA 74 N -2.32 0.00 -1.00 2.24 0.00 0.43 -4.84 120.51 115.03 2jww n ALA 74 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2jww n ALA 74 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2jww n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jww n ARG 75 N -0.11 0.00 0.00 0.00 1.74 -0.66 -5.04 116.66 112.58 2jww n ARG 75 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2jww n ARG 75 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2jww n ARG 75 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2jww n ASP 76 N -0.00 0.00 -4.22 0.55 5.68 -1.26 -4.68 116.55 112.61 2jww n ASP 76 Ca 0.00 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.87 2jww n ASP 76 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 2jww n ASP 76 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2jww s LEU 77 N 0.00 6.04 0.00 -2.12 2.01 -1.21 -4.48 118.68 118.91 2jww s LEU 77 Ca 0.00 -2.82 -0.14 0.00 0.01 0.00 0.00 54.13 51.18 2jww s LEU 77 Cb 0.00 -2.04 0.21 0.00 0.01 0.00 0.00 46.19 44.37 2jww s LEU 77 CO 0.00 -0.46 0.52 -0.24 1.01 0.00 0.00 176.35 177.18 2jww n SER 78 N 3.67 -2.98 -0.21 2.29 2.88 -1.26 -3.82 113.62 114.19 2jww n SER 78 Ca 0.12 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 2jww n SER 78 Cb 0.42 -0.57 0.08 0.00 -0.75 0.00 0.00 64.21 63.39 2jww n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jww h ALA 79 N -2.86 0.49 -0.25 -1.46 0.00 -1.96 1.54 119.26 114.75 2jww h ALA 79 Ca -0.23 0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2jww h ALA 79 Cb 0.76 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 2jww h ALA 79 CO 0.14 -0.42 -0.28 -0.22 0.00 0.00 0.00 179.25 178.47 2jww h LYS 80 N 0.03 -0.28 0.00 0.00 3.64 -1.97 0.13 116.57 118.12 2jww h LYS 80 Ca 0.32 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.62 2jww h LYS 80 Cb 0.50 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2jww h LYS 80 CO -0.62 -0.19 -0.43 0.93 -2.27 0.00 0.00 179.45 176.87 2jww h GLU 81 N -0.29 0.00 -0.08 1.90 4.39 -1.42 0.38 114.58 119.46 2jww h GLU 81 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2jww h GLU 81 Cb 0.50 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2jww h GLU 81 CO -0.41 0.43 0.02 1.15 -1.16 0.00 0.00 179.01 179.04 2jww h THR 82 N 0.00 1.18 0.00 1.13 2.02 0.31 2.03 112.91 119.58 2jww h THR 82 Ca -0.00 -0.56 -0.14 0.00 0.77 0.00 0.00 66.41 66.48 2jww h THR 82 Cb 1.13 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 2jww h THR 82 CO 0.06 0.16 -0.69 0.11 0.37 0.00 0.00 175.52 175.53 2jww h LYS 83 N -0.08 0.00 0.00 6.66 1.79 -0.71 -1.61 116.57 122.63 2jww h LYS 83 Ca 0.02 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 2jww h LYS 83 Cb 0.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2jww h LYS 83 CO -0.00 0.69 -0.54 1.15 -1.08 0.00 0.00 179.45 179.67 2jww h THR 84 N 0.00 0.37 0.00 -0.16 2.02 -0.00 -3.34 112.91 111.80 2jww h THR 84 Ca -0.01 -1.40 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 2jww h THR 84 Cb 1.26 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2jww h THR 84 CO 0.09 0.13 -0.14 0.25 0.37 0.00 0.00 175.52 176.22 2jww h LEU 85 N -1.00 0.00 0.07 2.58 7.12 0.30 -3.08 115.31 121.30 2jww h LEU 85 Ca -0.08 -0.79 -0.00 0.00 0.13 0.00 0.00 57.88 57.13 2jww h LEU 85 Cb 0.64 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.77 2jww h LEU 85 CO -0.05 0.98 -0.03 -0.03 -0.13 0.00 0.00 178.44 179.17 2jww h MET 86 N -1.00 -0.09 -0.04 1.25 4.05 -0.65 -0.94 114.93 117.51 2jww h MET 86 Ca -0.04 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2jww h MET 86 Cb 0.88 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.70 2jww h MET 86 CO -0.02 -0.00 0.05 0.00 0.23 0.00 0.00 176.91 177.17 2jww h ALA 87 N 0.77 1.55 0.55 0.39 0.00 -1.44 -2.00 119.26 119.09 2jww h ALA 87 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jww h ALA 87 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2jww h ALA 87 CO 0.02 -0.07 -0.27 0.00 0.00 0.00 0.00 179.25 178.93 2jww h ALA 88 N 1.94 -0.82 -0.56 0.00 0.00 -1.10 -2.81 119.26 115.91 2jww h ALA 88 Ca 0.02 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.93 2jww h ALA 88 Cb 0.12 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2jww h ALA 88 CO -0.00 -0.77 0.53 0.78 0.00 0.00 0.00 179.25 179.79 2jww h GLY 89 N -1.08 0.00 -3.67 0.00 0.00 -1.09 0.68 103.07 97.91 2jww h GLY 89 Ca -0.08 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.78 2jww h GLY 89 CO 0.12 0.00 0.60 1.34 0.00 0.00 0.00 176.54 178.61 2jww n ASP 90 N -3.86 5.63 -0.26 0.19 2.03 -0.78 -2.92 116.55 116.58 2jww n ASP 90 Ca 0.11 -3.37 -0.01 0.00 0.52 0.00 0.00 54.79 52.04 2jww n ASP 90 Cb 0.74 -0.91 0.02 0.00 -0.72 0.00 0.00 41.12 40.26 2jww n ASP 90 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2jww n LYS 91 N -0.54 -0.17 -0.90 -0.67 0.00 0.24 0.15 118.16 116.27 2jww n LYS 91 Ca 0.47 1.05 -0.19 0.00 0.00 0.00 0.00 58.31 59.65 2jww n LYS 91 Cb 0.96 -1.55 0.06 0.00 0.00 0.00 0.00 35.03 34.50 2jww n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jww n ASP 92 N -4.99 5.73 0.00 3.14 9.92 -1.26 -4.89 116.55 124.19 2jww n ASP 92 Ca 0.07 -3.13 0.00 0.00 -0.53 0.00 0.00 54.79 51.19 2jww n ASP 92 Cb 0.27 -0.94 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 2jww n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jww n GLY 93 N -0.09 5.62 0.26 0.44 0.00 0.41 -5.07 105.19 106.77 2jww n GLY 93 Ca 0.36 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 44.94 2jww n GLY 93 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jww n ASP 94 N 0.00 1.47 0.00 1.61 -0.08 -1.26 -4.95 116.55 113.34 2jww n ASP 94 Ca 0.00 -1.24 0.00 0.00 -1.51 0.00 0.00 54.79 52.04 2jww n ASP 94 Cb 0.00 0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.56 2jww n ASP 94 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jww n GLY 95 N 0.49 -0.08 3.82 0.27 0.00 -1.26 -4.99 105.19 103.43 2jww n GLY 95 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2jww n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jww s LYS 96 N 0.00 3.29 -0.31 1.61 -0.14 -1.26 -3.91 119.74 119.02 2jww s LYS 96 Ca 0.00 -0.22 -0.05 0.00 -1.36 0.00 0.00 55.97 54.34 2jww s LYS 96 Cb 0.00 -3.06 0.03 0.00 -1.68 0.00 0.00 37.83 33.12 2jww s LYS 96 CO 0.00 0.76 0.05 0.42 -0.76 0.00 0.00 175.35 175.81 2jww s ILE 97 N -0.99 3.50 0.34 2.17 1.01 -1.06 -4.58 121.20 121.59 2jww s ILE 97 Ca 0.15 -1.08 0.07 0.00 0.00 0.00 0.00 60.65 59.79 2jww s ILE 97 Cb -0.12 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 2jww s ILE 97 CO 0.04 -0.05 0.38 -0.83 0.00 0.00 0.00 174.94 174.48 2jww s GLY 98 N 1.38 1.70 0.46 6.18 0.00 -1.26 -2.40 107.32 113.38 2jww s GLY 98 Ca -0.01 -1.56 0.27 0.00 0.00 0.00 0.00 44.72 43.42 2jww s GLY 98 CO 0.01 -1.48 1.76 -0.24 0.00 0.00 0.00 173.10 173.15 2jww h VAL 99 N 1.06 0.42 -0.02 1.40 3.04 -1.97 0.59 116.25 120.77 2jww h VAL 99 Ca -0.45 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.16 2jww h VAL 99 Cb 1.26 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2jww h VAL 99 CO 0.55 0.04 -0.04 1.05 -1.01 0.00 0.00 177.57 178.16 2jww h GLU 100 N 0.20 0.06 0.00 4.17 4.11 -1.94 -3.25 114.58 117.93 2jww h GLU 100 Ca 0.62 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.94 2jww h GLU 100 Cb 1.98 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.22 2jww h GLU 100 CO -0.20 0.64 -0.34 0.93 0.07 0.00 0.00 179.01 180.11 2jww h GLU 101 N -0.51 0.00 -0.43 1.06 3.07 -1.19 -2.74 114.58 113.84 2jww h GLU 101 Ca -0.00 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.98 2jww h GLU 101 Cb 0.64 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 2jww h GLU 101 CO 0.01 0.34 0.46 0.35 -1.40 0.00 0.00 179.01 178.77 2jww h PHE 102 N 0.00 0.00 -0.11 4.33 3.57 0.03 0.20 116.94 124.96 2jww h PHE 102 Ca -0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 2jww h PHE 102 Cb 0.76 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2jww h PHE 102 CO 0.00 0.00 -0.41 1.03 -2.23 0.00 0.00 178.31 176.70 2jww h SER 103 N 0.00 0.55 -0.69 0.41 0.87 -1.62 -3.12 113.55 109.95 2jww h SER 103 Ca 0.20 -0.62 0.10 0.00 -1.23 0.00 0.00 61.79 60.24 2jww h SER 103 Cb 1.12 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.88 2jww h SER 103 CO -0.00 1.08 0.46 0.74 -0.53 0.00 0.00 176.83 178.57 2jww h THR 104 N 0.05 0.92 -1.00 2.23 2.02 -0.75 0.14 112.91 116.51 2jww h THR 104 Ca -0.02 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.01 2jww h THR 104 Cb 1.04 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 2jww h THR 104 CO 0.09 0.10 0.65 0.25 0.37 0.00 0.00 175.52 176.98 2jww h LEU 105 N 0.56 1.08 -1.51 2.58 6.46 -1.32 0.44 115.31 123.59 2jww h LEU 105 Ca 0.32 -0.01 0.13 0.00 -0.12 0.00 0.00 57.88 58.21 2jww h LEU 105 Cb 0.49 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.13 2jww h LEU 105 CO -0.10 0.72 0.50 0.58 -0.62 0.00 0.00 178.44 179.52 2jww h VAL 106 N 1.24 0.83 0.09 1.05 2.07 -0.97 0.79 116.25 121.36 2jww h VAL 106 Ca 0.41 -0.17 -0.26 0.00 0.82 0.00 0.00 66.70 67.50 2jww h VAL 106 Cb 0.05 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2jww h VAL 106 CO -0.14 0.09 -1.20 0.00 0.02 0.00 0.00 177.57 176.34 2jww h ALA 107 N 1.64 0.18 0.02 1.67 0.00 -1.06 -3.37 119.26 118.34 2jww h ALA 107 Ca 0.37 -0.92 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jww h ALA 107 Cb 0.74 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jww h ALA 107 CO -0.13 1.07 -0.04 0.93 0.00 0.00 0.00 179.25 181.08 2jww h GLU 108 N 0.05 -0.06 0.00 0.00 4.39 0.12 -3.52 114.58 115.55 2jww h GLU 108 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2jww h GLU 108 Cb 1.92 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.59 2jww h GLU 108 CO 0.18 -0.04 0.00 -1.13 -1.16 0.00 0.00 179.01 176.86