#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 2.91 -0.00 1.43 0.00 -1.26 -4.38 117.12 115.81 2jww n MET 2 Ca 0.00 -2.48 0.08 0.00 0.00 0.00 0.00 57.70 55.30 2jww n MET 2 Cb 0.00 -3.18 -0.11 0.00 0.00 0.00 0.00 33.22 29.94 2jww n MET 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2jww n THR 3 N 4.89 0.00 -0.03 1.12 -2.24 -1.26 -3.59 114.28 113.16 2jww n THR 3 Ca 0.56 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.92 2jww n THR 3 Cb 0.36 0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 69.04 2jww n THR 3 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2jww h ASP 4 N 0.00 0.57 0.00 3.42 5.19 -1.98 -3.33 116.42 120.29 2jww h ASP 4 Ca 0.00 -0.65 -0.11 0.00 -0.62 0.00 0.00 57.03 55.65 2jww h ASP 4 Cb 0.55 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.88 2jww h ASP 4 CO 0.00 1.13 -0.73 0.25 -3.12 0.00 0.00 179.24 176.76 2jww h LEU 5 N 0.05 0.00-10.16 1.55 6.46 -1.93 -3.47 115.31 107.80 2jww h LEU 5 Ca -0.03 -0.40 -0.49 0.00 -0.12 0.00 0.00 57.88 56.84 2jww h LEU 5 Cb 1.12 0.00 0.05 0.00 -0.73 0.00 0.00 40.66 41.10 2jww h LEU 5 CO 0.10 1.12 0.38 -0.76 -0.62 0.00 0.00 178.44 178.65 2jww s LEU 6 N -8.09 3.59 -0.27 2.25 1.43 -1.24 -4.90 118.68 111.46 2jww s LEU 6 Ca -0.21 1.85 -0.32 0.00 -1.03 0.00 0.00 54.13 54.43 2jww s LEU 6 Cb 0.03 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.62 2jww s LEU 6 CO 0.45 -1.06 2.18 -1.54 0.23 0.00 0.00 176.35 176.61 2jww n SER 7 N -1.74 2.73 -0.14 2.29 3.41 -1.26 -4.56 113.62 114.36 2jww n SER 7 Ca 0.09 0.36 -0.10 0.00 -0.26 0.00 0.00 58.87 58.95 2jww n SER 7 Cb 0.53 -1.40 -0.01 0.00 -0.26 0.00 0.00 64.21 63.06 2jww n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jww h ALA 8 N 13.39 0.56 -0.52 7.33 0.00 -1.90 -2.00 119.26 136.12 2jww h ALA 8 Ca -0.35 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 2jww h ALA 8 Cb 1.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2jww h ALA 8 CO 0.99 0.35 0.17 1.05 0.00 0.00 0.00 179.25 181.80 2jww h GLU 9 N 0.57 0.81 0.34 0.00 4.11 -1.92 -1.94 114.58 116.55 2jww h GLU 9 Ca 0.12 -0.17 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 2jww h GLU 9 Cb 0.48 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2jww h GLU 9 CO 0.02 0.74 -0.16 -0.44 0.07 0.00 0.00 179.01 179.24 2jww h ASP 10 N 0.72 -0.38 0.04 3.06 5.19 -1.75 -2.42 116.42 120.86 2jww h ASP 10 Ca 0.17 -0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.55 2jww h ASP 10 Cb 0.26 0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 2jww h ASP 10 CO -0.01 -0.19 -0.16 0.40 -3.12 0.00 0.00 179.24 176.16 2jww h ILE 11 N -0.56 0.61 -0.70 0.35 2.04 -0.59 0.85 117.51 119.51 2jww h ILE 11 Ca -0.05 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.93 2jww h ILE 11 Cb 0.41 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 2jww h ILE 11 CO 0.08 0.00 0.29 0.50 0.00 0.00 0.00 178.15 179.02 2jww h LYS 12 N -0.29 0.46 0.08 2.37 3.64 -1.37 0.67 116.57 122.14 2jww h LYS 12 Ca 0.04 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2jww h LYS 12 Cb 0.34 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2jww h LYS 12 CO -0.13 0.31 -0.04 0.87 -2.27 0.00 0.00 179.45 178.19 2jww h LYS 13 N 0.48 -0.10 -0.23 1.90 1.57 -0.94 -2.34 116.57 116.90 2jww h LYS 13 Ca 0.36 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2jww h LYS 13 Cb 0.48 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2jww h LYS 13 CO -0.34 0.44 0.15 0.00 -0.57 0.00 0.00 179.45 179.14 2jww h ALA 14 N -0.05 1.85 -0.04 3.86 0.00 0.98 1.35 119.26 127.21 2jww h ALA 14 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2jww h ALA 14 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jww h ALA 14 CO 0.02 0.14 -0.27 0.82 0.00 0.00 0.00 179.25 179.95 2jww h ILE 15 N 0.30 1.46 0.00 0.00 2.04 0.30 -3.37 117.51 118.24 2jww h ILE 15 Ca 0.08 -1.75 -0.35 0.00 1.00 0.00 0.00 64.86 63.85 2jww h ILE 15 Cb -0.02 2.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 2jww h ILE 15 CO -0.02 0.49 -1.93 0.61 0.00 0.00 0.00 178.15 177.30 2jww n GLY 16 N 0.77 -0.62 0.33 5.37 0.00 -0.88 -3.90 105.19 106.26 2jww n GLY 16 Ca -0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.92 -0.20 -3.14 4.61 0.00 0.46 -2.76 120.51 115.56 2jww n ALA 17 Ca -0.43 0.81 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 2jww n ALA 17 Cb 0.78 -0.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 2jww n ALA 17 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2jww n PHE 18 N -5.20 1.66 -0.46 0.00 -1.74 -1.25 -4.92 117.46 105.55 2jww n PHE 18 Ca 0.07 -3.87 0.41 0.00 -0.56 0.00 0.00 57.45 53.51 2jww n PHE 18 Cb 0.31 -0.45 0.70 0.00 1.52 0.00 0.00 39.48 41.57 2jww n PHE 18 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2jww h THR 19 N 2.02 0.10 -0.98 1.97 1.03 -1.63 0.19 112.91 115.60 2jww h THR 19 Ca 0.12 0.00 0.28 0.00 -0.01 0.00 0.00 66.41 66.80 2jww h THR 19 Cb 0.78 0.11 -0.14 0.00 -1.07 0.00 0.00 68.15 67.83 2jww h THR 19 CO 0.63 0.00 0.53 0.00 -0.01 0.00 0.00 175.52 176.67 2jww h ALA 20 N 0.97 1.79 0.24 0.00 0.00 -1.91 0.81 119.26 121.17 2jww h ALA 20 Ca 0.71 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.78 2jww h ALA 20 Cb 3.13 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 21.04 2jww h ALA 20 CO -0.01 -0.45 -0.26 0.00 0.00 0.00 0.00 179.25 178.54 2jww h ALA 21 N 1.79 -0.94 -0.04 0.00 0.00 -0.88 1.16 119.26 120.35 2jww h ALA 21 Ca 0.67 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.50 2jww h ALA 21 Cb 1.43 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 2jww h ALA 21 CO -0.57 -0.96 0.06 0.38 0.00 0.00 0.00 179.25 178.17 2jww h ASP 22 N -0.50 0.00 0.14 0.00 3.04 -1.41 1.34 116.42 119.03 2jww h ASP 22 Ca -0.03 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.75 2jww h ASP 22 Cb 0.44 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.73 2jww h ASP 22 CO -0.04 0.00 -0.07 -1.28 -2.04 0.00 0.00 179.24 175.81 2jww h SER 23 N 0.00 -0.16 0.00 4.15 0.87 0.25 -3.41 113.55 115.25 2jww h SER 23 Ca 0.02 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2jww h SER 23 Cb 0.15 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2jww h SER 23 CO -0.00 0.22 -0.47 0.33 -0.53 0.00 0.00 176.83 176.39 2jww n PHE 24 N -5.00 0.21 -3.66 2.24 7.35 0.38 -4.92 117.46 114.06 2jww n PHE 24 Ca -0.09 0.09 -0.25 0.00 -0.76 0.00 0.00 57.45 56.45 2jww n PHE 24 Cb 0.23 -0.39 -0.17 0.00 0.35 0.00 0.00 39.48 39.50 2jww n PHE 24 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2jww s ASP 25 N -4.98 2.14 0.16 -2.13 1.11 0.45 -4.72 116.67 108.70 2jww s ASP 25 Ca -0.14 -0.47 0.18 0.00 0.18 0.00 0.00 52.55 52.30 2jww s ASP 25 Cb 0.02 -0.30 0.79 0.00 1.07 0.00 0.00 42.92 44.50 2jww s ASP 25 CO 0.20 -0.31 1.55 1.41 1.18 0.00 0.00 175.17 179.20 2jww n HIS 26 N 5.23 0.45 -0.10 4.23 8.25 -0.98 -3.40 115.22 128.91 2jww n HIS 26 Ca -0.07 0.19 -0.09 0.00 -0.26 0.00 0.00 57.72 57.49 2jww n HIS 26 Cb 0.49 -0.81 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 2jww n HIS 26 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2jww h LYS 27 N 0.00 -0.30 -0.09 -0.41 1.79 -1.94 1.43 116.57 117.04 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 0.24 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2jww h LYS 27 CO 0.00 -0.20 0.05 0.87 -1.08 0.00 0.00 179.45 179.09 2jww h LYS 28 N -0.31 0.11 -0.96 3.15 6.56 -1.92 -0.56 116.57 122.64 2jww h LYS 28 Ca 0.15 -0.01 0.23 0.00 -1.06 0.00 0.00 60.65 59.96 2jww h LYS 28 Cb 0.57 -0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 32.13 2jww h LYS 28 CO -0.52 0.07 0.64 0.35 -2.06 0.00 0.00 179.45 177.92 2jww h PHE 29 N 0.11 0.50 0.00 -1.35 3.57 -1.21 0.60 116.94 119.16 2jww h PHE 29 Ca 0.03 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2jww h PHE 29 Cb -0.01 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 2jww h PHE 29 CO -0.08 0.10 -0.01 0.35 -2.23 0.00 0.00 178.31 176.44 2jww h PHE 30 N 0.35 0.00 0.05 0.41 3.57 0.35 1.23 116.94 122.90 2jww h PHE 30 Ca 0.51 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.87 2jww h PHE 30 Cb 1.37 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.10 2jww h PHE 30 CO -0.00 0.01 -0.69 1.96 -2.23 0.00 0.00 178.31 177.35 2jww h GLN 31 N 0.00 0.10 -0.05 1.11 4.20 0.31 -2.89 115.11 117.89 2jww h GLN 31 Ca -0.00 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.39 2jww h GLN 31 Cb 0.02 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2jww h GLN 31 CO 0.00 1.09 -0.62 0.52 -0.67 0.00 0.00 178.83 179.14 2jww h MET 32 N -0.75 0.18 0.00 1.46 2.86 -1.01 -2.91 114.93 114.76 2jww h MET 32 Ca -0.16 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 2jww h MET 32 Cb 1.33 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.01 2jww h MET 32 CO -0.00 0.74 -0.09 -0.24 1.06 0.00 0.00 176.91 178.38 2jww h VAL 33 N 0.13 0.47 0.00 -2.22 3.04 0.14 -3.40 116.25 114.41 2jww h VAL 33 Ca -0.01 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2jww h VAL 33 Cb 1.13 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2jww h VAL 33 CO 0.09 0.09 0.00 0.61 -1.01 0.00 0.00 177.57 177.35 2jww n GLY 34 N -0.70 0.70 0.13 3.17 0.00 -1.10 -1.85 105.19 105.54 2jww n GLY 34 Ca -0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.00 0.99 -0.00 -1.75 -2.59 115.31 111.96 2jww h LEU 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2jww h LEU 35 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 2jww h LEU 35 CO 0.00 0.65 -0.41 0.29 -0.00 0.00 0.00 178.44 178.97 2jww n LYS 36 N -3.76 0.04 0.00 1.13 5.02 -1.25 -4.47 118.16 114.87 2jww n LYS 36 Ca -0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jww n LYS 36 Cb 0.64 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 2jww n LYS 36 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2jww n LYS 37 N -1.58 0.00 0.00 1.97 0.00 -0.97 -4.36 118.16 113.22 2jww n LYS 37 Ca 0.06 0.96 0.00 0.00 0.00 0.00 0.00 58.31 59.33 2jww n LYS 37 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.88 2jww n LYS 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jww n LYS 38 N -2.91 0.00 -3.89 1.64 5.02 -1.26 -5.08 118.16 111.67 2jww n LYS 38 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 2jww n LYS 38 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 2jww n LYS 38 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jww s SER 39 N -1.00 0.12 0.42 4.39 1.04 -1.26 -5.02 113.70 112.39 2jww s SER 39 Ca 0.00 -0.72 0.18 0.00 0.48 0.00 0.00 55.95 55.89 2jww s SER 39 Cb 0.00 0.35 1.10 0.00 0.10 0.00 0.00 66.02 67.58 2jww s SER 39 CO 0.00 -0.76 1.85 0.00 0.98 0.00 0.00 173.24 175.31 2jww h ALA 40 N 2.72 2.24 -0.57 5.32 0.00 -1.91 0.23 119.26 127.29 2jww h ALA 40 Ca -0.34 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2jww h ALA 40 Cb 1.20 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2jww h ALA 40 CO 0.55 -0.53 0.25 -0.44 0.00 0.00 0.00 179.25 179.08 2jww h ASP 41 N 0.39 0.31 -0.41 0.00 5.19 -1.95 1.23 116.42 121.17 2jww h ASP 41 Ca 0.48 0.05 0.07 0.00 -0.62 0.00 0.00 57.03 57.01 2jww h ASP 41 Cb 1.22 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 40.67 2jww h ASP 41 CO -0.18 0.20 0.04 0.44 -3.12 0.00 0.00 179.24 176.62 2jww h ASP 42 N 0.47 -0.09 0.00 6.45 3.32 -0.92 -0.99 116.42 124.65 2jww h ASP 42 Ca 0.27 0.08 -0.16 0.00 0.02 0.00 0.00 57.03 57.24 2jww h ASP 42 Cb 0.26 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2jww h ASP 42 CO -0.23 -0.01 -0.54 -0.37 -1.72 0.00 0.00 179.24 176.37 2jww h VAL 43 N 0.16 1.32 -0.89 -1.35 -1.51 -1.12 -2.95 116.25 109.90 2jww h VAL 43 Ca 0.20 -1.78 0.23 0.00 -1.23 0.00 0.00 66.70 64.12 2jww h VAL 43 Cb 0.27 1.75 -0.05 0.00 -2.13 0.00 0.00 31.29 31.13 2jww h VAL 43 CO -0.30 0.56 0.61 0.50 -1.23 0.00 0.00 177.57 177.70 2jww h LYS 44 N 0.45 0.21 -0.27 5.19 3.64 0.27 -0.65 116.57 125.41 2jww h LYS 44 Ca 0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jww h LYS 44 Cb 1.09 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2jww h LYS 44 CO 0.10 0.14 0.16 0.87 -2.27 0.00 0.00 179.45 178.46 2jww h LYS 45 N 0.22 0.37 -0.24 1.90 1.57 -1.08 -1.09 116.57 118.22 2jww h LYS 45 Ca 0.45 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.26 2jww h LYS 45 Cb 1.41 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 2jww h LYS 45 CO -0.11 0.29 0.27 -0.24 -0.57 0.00 0.00 179.45 179.09 2jww h VAL 46 N 0.34 0.43 -0.88 0.50 3.04 -1.24 -1.83 116.25 116.60 2jww h VAL 46 Ca 0.10 0.00 0.24 0.00 -1.01 0.00 0.00 66.70 66.02 2jww h VAL 46 Cb 0.01 0.78 -0.14 0.00 -2.01 0.00 0.00 31.29 29.94 2jww h VAL 46 CO -0.02 0.00 0.26 0.15 -1.01 0.00 0.00 177.57 176.95 2jww h PHE 47 N 0.00 0.40 -0.03 3.17 3.57 -1.18 0.70 116.94 123.57 2jww h PHE 47 Ca 0.11 0.05 -0.22 0.00 3.53 0.00 0.00 57.97 61.44 2jww h PHE 47 Cb 0.65 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2jww h PHE 47 CO 0.00 -0.20 -0.88 1.25 -2.23 0.00 0.00 178.31 176.25 2jww h HIS 48 N 0.22 0.66 -0.35 0.41 2.76 -1.48 1.51 115.15 118.88 2jww h HIS 48 Ca 0.56 -0.33 0.07 0.00 -2.20 0.00 0.00 60.37 58.47 2jww h HIS 48 Cb 1.14 -0.08 -0.07 0.00 1.55 0.00 0.00 27.41 29.95 2jww h HIS 48 CO -0.24 1.14 -0.09 0.82 -1.30 0.00 0.00 177.93 178.26 2jww h ILE 49 N 0.28 0.64 0.12 6.26 1.08 0.25 0.41 117.51 126.54 2jww h ILE 49 Ca -0.07 0.00 -0.33 0.00 -0.39 0.00 0.00 64.86 64.07 2jww h ILE 49 Cb 1.50 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.88 2jww h ILE 49 CO 0.16 0.00 -1.75 0.17 -0.69 0.00 0.00 178.15 176.04 2jww h LEU 50 N -0.00 0.39 -5.84 1.44 8.10 -0.68 -3.40 115.31 115.32 2jww h LEU 50 Ca 0.17 -0.67 -0.60 0.00 0.11 0.00 0.00 57.88 56.89 2jww h LEU 50 Cb 0.26 -0.13 -0.42 0.00 -0.44 0.00 0.00 40.66 39.94 2jww h LEU 50 CO -0.37 1.58 -0.59 0.47 -4.11 0.00 0.00 178.44 175.43 2jww n ASP 51 N -3.43 4.12 0.08 0.17 9.92 0.51 -4.88 116.55 123.04 2jww n ASP 51 Ca -0.23 -3.55 -0.10 0.00 -0.53 0.00 0.00 54.79 50.38 2jww n ASP 51 Cb 1.05 -0.64 -0.07 0.00 -0.64 0.00 0.00 41.12 40.83 2jww n ASP 51 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2jww h LYS 52 N 3.71 -0.26 -0.09 -1.24 -0.00 -0.33 -3.37 116.57 114.99 2jww h LYS 52 Ca 0.17 0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.84 2jww h LYS 52 Cb 0.59 0.06 0.00 0.00 -0.00 0.00 0.00 32.23 32.88 2jww h LYS 52 CO 0.84 0.12 0.00 -0.25 -0.00 0.00 0.00 179.45 180.16 2jww n ASP 53 N -4.96 2.28 0.00 7.07 8.00 -1.26 -4.86 116.55 122.82 2jww n ASP 53 Ca -0.08 -2.09 0.00 0.00 0.71 0.00 0.00 54.79 53.33 2jww n ASP 53 Cb 0.25 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2jww n ASP 53 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2jww n LYS 54 N -0.32 0.00 0.00 -1.24 3.00 -1.26 -4.84 118.16 113.50 2jww n LYS 54 Ca 0.04 0.52 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 2jww n LYS 54 Cb 0.33 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 34.21 2jww n LYS 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2jww n SER 55 N -1.44 0.00 0.00 3.14 3.41 -1.26 -4.95 113.62 112.52 2jww n SER 55 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jww n SER 55 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2jww n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jww n GLY 56 N 0.00 2.72 3.43 5.00 0.00 -1.26 -4.95 105.19 110.14 2jww n GLY 56 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.39 -0.31 -0.05 1.61 0.40 -1.26 -3.97 117.98 112.01 2jww s PHE 57 Ca 0.00 0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.33 2jww s PHE 57 Cb 0.00 0.43 -0.04 0.00 0.51 0.00 0.00 43.02 43.92 2jww s PHE 57 CO 0.00 -0.84 0.04 0.42 0.70 0.00 0.00 175.22 175.54 2jww s ILE 58 N -3.81 4.54 -0.30 0.64 1.01 -0.85 -4.91 121.20 117.53 2jww s ILE 58 Ca 0.04 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 2jww s ILE 58 Cb -0.00 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 2jww s ILE 58 CO -0.09 0.49 0.20 -1.61 0.00 0.00 0.00 174.94 173.93 2jww s GLU 59 N -1.27 3.74 0.44 2.79 2.02 -1.26 -1.96 118.70 123.20 2jww s GLU 59 Ca 0.17 -0.46 0.38 0.00 0.02 0.00 0.00 54.97 55.08 2jww s GLU 59 Cb -0.12 -3.70 1.41 0.00 0.10 0.00 0.00 34.13 31.83 2jww s GLU 59 CO 0.07 -0.29 1.32 -0.85 0.02 0.00 0.00 175.26 175.53 2jww n GLU 60 N 5.07 -0.01 0.05 1.61 0.28 -1.14 0.18 120.64 126.68 2jww n GLU 60 Ca -0.14 0.96 -0.12 0.00 -0.16 0.00 0.00 57.16 57.70 2jww n GLU 60 Cb 0.51 -2.11 -0.09 0.00 1.43 0.00 0.00 31.44 31.18 2jww n GLU 60 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2jww h ASP 61 N 0.00 -0.14 1.30 -1.84 3.32 -1.92 -3.26 116.42 113.88 2jww h ASP 61 Ca 0.78 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 57.45 2jww h ASP 61 Cb 2.98 0.04 0.00 0.00 0.22 0.00 0.00 39.33 42.56 2jww h ASP 61 CO -0.12 0.35 -0.51 -0.08 -1.72 0.00 0.00 179.24 177.16 2jww h GLU 62 N -0.66 0.00 -0.93 3.56 4.81 -0.30 -3.32 114.58 117.74 2jww h GLU 62 Ca -0.02 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.47 2jww h GLU 62 Cb 0.51 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 2jww h GLU 62 CO 0.03 0.00 0.65 1.25 -0.73 0.00 0.00 179.01 180.21 2jww h LEU 63 N 0.00 0.11 -1.05 1.64 6.46 0.19 1.02 115.31 123.68 2jww h LEU 63 Ca 0.00 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.70 2jww h LEU 63 Cb 0.90 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 2jww h LEU 63 CO 0.00 0.03 -0.37 1.23 -0.62 0.00 0.00 178.44 178.71 2jww h GLY 64 N 0.10 0.00 0.00 3.75 0.00 -1.66 0.59 103.07 105.85 2jww h GLY 64 Ca 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.78 2jww h GLY 64 CO -0.06 0.00 -0.06 1.76 0.00 0.00 0.00 176.54 178.18 2jww h SER 65 N 0.00 0.00 -0.02 0.19 0.02 0.77 -3.15 113.55 111.37 2jww h SER 65 Ca -0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2jww h SER 65 Cb 0.83 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 2jww h SER 65 CO 0.05 0.59 0.02 -0.29 -1.14 0.00 0.00 176.83 176.06 2jww h ILE 66 N -1.00 0.43 -1.20 3.27 6.09 -1.18 -2.15 117.51 121.78 2jww h ILE 66 Ca -0.00 0.00 0.34 0.00 -1.37 0.00 0.00 64.86 63.83 2jww h ILE 66 Cb 0.16 0.98 -0.07 0.00 0.47 0.00 0.00 36.82 38.37 2jww h ILE 66 CO -0.00 0.00 0.83 0.25 -3.07 0.00 0.00 178.15 176.16 2jww h LEU 67 N 0.00 0.15 -1.57 2.19 7.12 -0.98 0.21 115.31 122.43 2jww h LEU 67 Ca 0.01 0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.09 2jww h LEU 67 Cb 0.05 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 2jww h LEU 67 CO -0.00 0.01 0.53 0.11 -0.13 0.00 0.00 178.44 178.96 2jww h LYS 68 N 0.12 0.00 -0.86 1.25 1.57 -1.58 -2.02 116.57 115.05 2jww h LYS 68 Ca 0.61 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.53 2jww h LYS 68 Cb 2.16 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 34.32 2jww h LYS 68 CO -0.12 0.00 -0.36 0.78 -0.57 0.00 0.00 179.45 179.18 2jww h GLY 69 N 0.00 0.06 0.04 3.86 0.00 -0.82 1.29 103.07 107.49 2jww h GLY 69 Ca 0.06 0.48 -0.42 0.00 0.00 0.00 0.00 47.33 47.46 2jww h GLY 69 CO -0.00 -0.21 -2.41 1.97 0.00 0.00 0.00 176.54 175.88 2jww n PHE 70 N -5.47 0.14 1.31 5.60 -1.74 -0.82 -4.44 117.46 112.04 2jww n PHE 70 Ca 0.09 0.04 0.09 0.00 -0.56 0.00 0.00 57.45 57.11 2jww n PHE 70 Cb 0.39 -1.02 0.55 0.00 1.52 0.00 0.00 39.48 40.93 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 -3.81 0.00 -0.05 5.98 3.41 -0.85 -3.96 113.62 114.33 2jww n SER 71 Ca -0.49 -0.73 0.24 0.00 -0.26 0.00 0.00 58.87 57.63 2jww n SER 71 Cb 0.93 0.00 0.57 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 -0.76 4.04 0.87 0.15 1.38 113.55 119.23 2jww h SER 72 Ca 0.00 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.08 2jww h SER 72 Cb 0.00 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 61.69 2jww h SER 72 CO 0.00 0.00 0.21 0.47 -0.53 0.00 0.00 176.83 176.98 2jww n ASP 73 N -3.40 4.89 0.00 6.23 8.00 -1.25 -4.83 116.55 126.18 2jww n ASP 73 Ca 0.15 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.90 2jww n ASP 73 Cb 1.10 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 2jww n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jww n ALA 74 N -0.98 0.55 -3.00 2.24 0.00 0.47 -4.09 120.51 115.70 2jww n ALA 74 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2jww n ALA 74 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 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 0.00 0.00 -5.06 0.00 1.74 -1.10 -5.06 116.66 107.17 2jww n ARG 75 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2jww n ARG 75 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 2jww n ARG 75 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jww s ASP 76 N -0.46 2.55 -0.51 0.55 1.01 -1.26 -4.65 116.67 113.89 2jww s ASP 76 Ca 0.00 -0.40 -0.26 0.00 0.71 0.00 0.00 52.55 52.60 2jww s ASP 76 Cb 0.00 -0.28 -0.05 0.00 1.01 0.00 0.00 42.92 43.59 2jww s ASP 76 CO 0.00 0.27 2.23 -0.22 0.21 0.00 0.00 175.17 177.66 2jww s LEU 77 N -0.53 3.38 0.00 1.23 0.20 -1.19 -4.96 118.68 116.82 2jww s LEU 77 Ca 0.08 0.90 -0.09 0.00 0.69 0.00 0.00 54.13 55.71 2jww s LEU 77 Cb -0.08 -2.57 0.14 0.00 -0.43 0.00 0.00 46.19 43.25 2jww s LEU 77 CO -0.01 -2.69 0.85 -1.20 -0.29 0.00 0.00 176.35 173.02 2jww n SER 78 N 14.78 0.21 -0.20 3.68 7.64 -1.26 -3.73 113.62 134.74 2jww n SER 78 Ca 0.32 -1.40 -0.01 0.00 1.01 0.00 0.00 58.87 58.79 2jww n SER 78 Cb 0.54 -0.64 0.06 0.00 -1.01 0.00 0.00 64.21 63.15 2jww n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jww h ALA 79 N -1.64 0.40 -0.65 -0.43 0.00 -1.93 0.69 119.26 115.70 2jww h ALA 79 Ca -0.28 0.24 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2jww h ALA 79 Cb 0.80 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 2jww h ALA 79 CO 0.21 -0.43 0.09 -0.22 0.00 0.00 0.00 179.25 178.90 2jww h LYS 80 N -0.00 0.20 -0.09 0.00 3.64 -1.98 0.14 116.57 118.47 2jww h LYS 80 Ca 0.29 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.48 2jww h LYS 80 Cb 0.45 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2jww h LYS 80 CO -0.63 0.13 -0.70 0.93 -2.27 0.00 0.00 179.45 176.91 2jww h GLU 81 N 0.20 0.42 -0.29 1.90 4.39 -1.15 0.53 114.58 120.59 2jww h GLU 81 Ca 0.35 -0.33 0.06 0.00 0.34 0.00 0.00 59.36 59.78 2jww h GLU 81 Cb 0.56 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 2jww h GLU 81 CO -0.49 0.96 -0.09 1.15 -1.16 0.00 0.00 179.01 179.38 2jww h THR 82 N 0.29 0.66 0.00 1.13 2.02 0.21 1.82 112.91 119.04 2jww h THR 82 Ca -0.02 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.01 2jww h THR 82 Cb 1.27 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 2jww h THR 82 CO 0.12 0.00 -0.69 0.11 0.37 0.00 0.00 175.52 175.43 2jww h LYS 83 N -0.03 0.00 0.00 6.66 1.79 -1.00 -2.20 116.57 121.78 2jww h LYS 83 Ca 0.14 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 2jww h LYS 83 Cb 0.25 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2jww h LYS 83 CO -0.32 0.69 -0.51 1.15 -1.08 0.00 0.00 179.45 179.39 2jww h THR 84 N 0.00 0.18 0.00 -0.16 2.02 0.13 -3.36 112.91 111.73 2jww h THR 84 Ca -0.01 -1.20 -0.07 0.00 0.77 0.00 0.00 66.41 65.90 2jww h THR 84 Cb 1.34 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2jww h THR 84 CO 0.09 0.06 -0.40 -0.07 0.37 0.00 0.00 175.52 175.57 2jww h LEU 85 N -1.00 0.00 -0.28 2.58 -0.00 0.26 -3.11 115.31 113.76 2jww h LEU 85 Ca -0.05 -0.74 -0.01 0.00 -0.00 0.00 0.00 57.88 57.09 2jww h LEU 85 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2jww h LEU 85 CO -0.03 1.10 0.15 0.24 -0.00 0.00 0.00 178.44 179.90 2jww h MET 86 N -1.00 0.39 -0.20 1.13 2.86 -1.31 0.29 114.93 117.09 2jww h MET 86 Ca -0.11 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.55 2jww h MET 86 Cb 1.00 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 2jww h MET 86 CO -0.06 0.34 0.21 0.00 1.06 0.00 0.00 176.91 178.46 2jww h ALA 87 N 1.03 1.84 0.00 6.32 0.00 -1.54 0.22 119.26 127.13 2jww h ALA 87 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jww h ALA 87 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jww h ALA 87 CO -0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 179.25 178.87 2jww h ALA 88 N 1.76 0.00 -1.01 0.00 0.00 -0.95 -3.10 119.26 115.97 2jww h ALA 88 Ca 0.09 -0.06 0.27 0.00 0.00 0.00 0.00 54.91 55.21 2jww h ALA 88 Cb 0.52 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2jww h ALA 88 CO -0.00 0.05 0.68 0.78 0.00 0.00 0.00 179.25 180.76 2jww h GLY 89 N -0.66 0.64 -3.76 0.00 0.00 -0.33 1.21 103.07 100.17 2jww h GLY 89 Ca 0.00 -0.12 -0.52 0.00 0.00 0.00 0.00 47.33 46.70 2jww h GLY 89 CO 0.00 -0.05 0.67 1.34 0.00 0.00 0.00 176.54 178.49 2jww n ASP 90 N -4.44 6.22 -0.25 0.19 2.03 0.76 -2.99 116.55 118.06 2jww n ASP 90 Ca 0.23 -3.47 0.22 0.00 0.52 0.00 0.00 54.79 52.28 2jww n ASP 90 Cb 0.93 -0.94 0.36 0.00 -0.72 0.00 0.00 41.12 40.75 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 -0.58 -0.02 0.29 -0.67 0.00 0.42 0.16 118.16 117.76 2jww n LYS 91 Ca 0.51 0.67 0.15 0.00 0.00 0.00 0.00 58.31 59.64 2jww n LYS 91 Cb 0.87 -1.33 0.82 0.00 0.00 0.00 0.00 35.03 35.40 2jww n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2jww h ASP 92 N 0.00 0.00 -2.37 3.14 3.32 -1.84 -3.46 116.42 115.22 2jww h ASP 92 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 2jww h ASP 92 Cb 1.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.08 2jww h ASP 92 CO -0.25 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.88 2jww n GLY 93 N -1.20 0.70 0.04 2.75 0.00 0.43 -5.01 105.19 102.90 2jww n GLY 93 Ca -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.65 2jww n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jww n ASP 94 N -1.19 0.49 0.00 1.61 8.00 -1.24 -4.99 116.55 119.23 2jww n ASP 94 Ca 0.00 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.76 2jww n ASP 94 Cb 0.47 0.86 0.00 0.00 -0.02 0.00 0.00 41.12 42.43 2jww n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jww n GLY 95 N 1.05 0.81 3.04 0.44 0.00 -1.26 -4.97 105.19 104.31 2jww n GLY 95 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.18 0.30 -0.37 1.61 1.02 -1.26 -2.87 119.74 117.99 2jww s LYS 96 Ca 0.00 -0.12 -0.11 0.00 0.02 0.00 0.00 55.97 55.75 2jww s LYS 96 Cb 0.00 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.45 2jww s LYS 96 CO 0.00 -0.06 0.21 0.42 -0.92 0.00 0.00 175.35 175.01 2jww s ILE 97 N -0.64 4.73 0.57 2.17 1.01 -0.83 -4.72 121.20 123.49 2jww s ILE 97 Ca -0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 2jww s ILE 97 Cb -0.04 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.87 2jww s ILE 97 CO 0.01 -0.18 0.83 -0.83 0.00 0.00 0.00 174.94 174.76 2jww s GLY 98 N 1.59 1.72 0.39 6.18 0.00 -1.26 -2.00 107.32 113.94 2jww s GLY 98 Ca 0.03 -1.11 0.18 0.00 0.00 0.00 0.00 44.72 43.82 2jww s GLY 98 CO 0.07 -0.82 1.75 -0.24 0.00 0.00 0.00 173.10 173.87 2jww h VAL 99 N -0.05 0.50 0.13 1.40 3.04 -1.97 0.27 116.25 119.57 2jww h VAL 99 Ca -0.44 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.11 2jww h VAL 99 Cb 1.29 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 2jww h VAL 99 CO 0.56 0.07 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.80 2jww h GLU 100 N 0.39 -0.17 -0.55 4.17 4.39 -1.93 -3.28 114.58 117.60 2jww h GLU 100 Ca 0.62 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.41 2jww h GLU 100 Cb 1.55 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.20 2jww h GLU 100 CO -0.33 0.29 0.37 0.93 -1.16 0.00 0.00 179.01 179.11 2jww h GLU 101 N -0.85 0.39 -0.75 2.33 3.07 -1.58 -0.82 114.58 116.37 2jww h GLU 101 Ca -0.02 -0.02 0.22 0.00 -0.50 0.00 0.00 59.36 59.04 2jww h GLU 101 Cb 0.54 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 2jww h GLU 101 CO 0.03 0.26 0.55 0.35 -1.40 0.00 0.00 179.01 178.80 2jww h PHE 102 N 0.40 0.00 -0.06 4.33 3.57 -0.57 0.40 116.94 125.01 2jww h PHE 102 Ca 0.25 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.51 2jww h PHE 102 Cb 0.46 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.22 2jww h PHE 102 CO -0.00 0.00 -0.92 0.66 -2.23 0.00 0.00 178.31 175.81 2jww h SER 103 N 0.00 0.86 -0.88 0.41 4.64 -1.28 -3.15 113.55 114.14 2jww h SER 103 Ca 0.36 -0.63 0.13 0.00 -0.47 0.00 0.00 61.79 61.17 2jww h SER 103 Cb 1.45 -0.26 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 2jww h SER 103 CO -0.00 1.43 0.57 0.74 -0.87 0.00 0.00 176.83 178.70 2jww h THR 104 N 0.42 0.88 -0.75 2.95 2.02 -0.26 0.52 112.91 118.69 2jww h THR 104 Ca -0.09 -0.26 0.09 0.00 0.77 0.00 0.00 66.41 66.92 2jww h THR 104 Cb 1.56 0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.97 2jww h THR 104 CO 0.18 0.14 0.41 0.25 0.37 0.00 0.00 175.52 176.86 2jww h LEU 105 N 0.75 0.57 -1.47 2.58 6.46 -1.32 0.15 115.31 123.03 2jww h LEU 105 Ca 0.43 0.05 0.13 0.00 -0.12 0.00 0.00 57.88 58.37 2jww h LEU 105 Cb 0.61 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.43 2jww h LEU 105 CO -0.20 0.33 0.51 0.58 -0.62 0.00 0.00 178.44 179.05 2jww h VAL 106 N 0.70 0.85 0.01 1.05 2.07 -0.96 0.25 116.25 120.21 2jww h VAL 106 Ca 0.36 -0.19 -0.19 0.00 0.82 0.00 0.00 66.70 67.50 2jww h VAL 106 Cb 0.32 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2jww h VAL 106 CO -0.24 0.10 -0.90 0.00 0.02 0.00 0.00 177.57 176.55 2jww h ALA 107 N 1.63 0.52 0.35 1.67 0.00 -0.71 -3.34 119.26 119.38 2jww h ALA 107 Ca 0.37 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2jww h ALA 107 Cb 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2jww h ALA 107 CO -0.14 1.04 -0.17 0.93 0.00 0.00 0.00 179.25 180.92 2jww h GLU 108 N 0.03 -0.45 0.00 0.00 4.39 0.18 -3.52 114.58 115.21 2jww h GLU 108 Ca -0.02 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2jww h GLU 108 Cb 1.57 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 2jww h GLU 108 CO 0.12 -0.30 0.00 0.45 -1.16 0.00 0.00 179.01 178.12