#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwl n ILE 3 N 0.00 0.43 -1.64 2.41 -5.35 -1.26 -4.90 119.36 109.06 2wwl n ILE 3 Ca 0.00 -0.27 -0.35 0.00 -0.27 0.00 0.00 62.75 61.87 2wwl n ILE 3 Cb 0.00 -0.30 0.07 0.00 -1.74 0.00 0.00 39.64 37.67 2wwl n ILE 3 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2wwl s LYS 4 N -3.14 2.46 0.01 6.28 -0.14 -1.26 -4.98 119.74 118.98 2wwl s LYS 4 Ca 0.08 1.73 -0.27 0.00 -1.36 0.00 0.00 55.97 56.16 2wwl s LYS 4 Cb 0.13 -1.88 -0.15 0.00 -1.68 0.00 0.00 37.83 34.25 2wwl s LYS 4 CO 0.67 -1.58 1.14 0.77 -0.76 0.00 0.00 175.35 175.59 2wwl h SER 5 N 0.08 -0.78 0.00 2.83 0.02 -2.06 -3.24 113.55 110.41 2wwl h SER 5 Ca -0.48 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2wwl h SER 5 Cb 1.29 0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2wwl h SER 5 CO 0.52 -0.41 0.00 0.00 -1.14 0.00 0.00 176.83 175.80 2wwl n ALA 6 N -2.68 1.70 0.46 3.77 0.00 -1.26 -2.52 120.51 119.97 2wwl n ALA 6 Ca -0.12 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.42 2wwl n ALA 6 Cb 0.37 -1.06 0.47 0.00 0.00 0.00 0.00 19.45 19.24 2wwl n ALA 6 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wwl h LYS 7 N 0.00 0.00 0.00 0.00 3.11 -1.90 -2.66 116.57 115.12 2wwl h LYS 7 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2wwl h LYS 7 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2wwl h LYS 7 CO 0.00 0.00 0.12 1.57 -2.81 0.00 0.00 179.45 178.33 2wwl h LYS 8 N 0.00 0.00 -0.33 1.90 2.10 -1.75 -2.68 116.57 115.81 2wwl h LYS 8 Ca 0.00 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.74 2wwl h LYS 8 Cb 0.50 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 2wwl h LYS 8 CO 0.00 0.00 0.24 -0.09 -2.00 0.00 0.00 179.45 177.60 2wwl h ARG 9 N 0.00 0.00 -1.00 0.07 9.65 -1.77 -1.67 114.38 119.65 2wwl h ARG 9 Ca 0.00 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 2wwl h ARG 9 Cb 0.25 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.77 2wwl h ARG 9 CO 0.00 0.00 0.66 0.00 2.80 0.00 0.00 179.97 183.43 2wwl h ALA 10 N 1.82 1.35 -0.24 2.80 0.00 -1.74 0.11 119.26 123.36 2wwl h ALA 10 Ca 0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2wwl h ALA 10 Cb 0.64 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2wwl h ALA 10 CO -0.00 0.55 -0.12 0.82 0.00 0.00 0.00 179.25 180.50 2wwl h ILE 11 N 1.26 1.21 -0.02 0.00 2.04 -1.52 -1.72 117.51 118.76 2wwl h ILE 11 Ca 0.40 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 2wwl h ILE 11 Cb 0.01 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2wwl h ILE 11 CO -0.13 0.30 -0.20 1.56 0.00 0.00 0.00 178.15 179.68 2wwl h GLN 12 N 0.37 0.17 -0.89 2.37 4.20 -1.05 -2.78 115.11 117.51 2wwl h GLN 12 Ca 0.07 -0.16 0.20 0.00 0.06 0.00 0.00 58.65 58.83 2wwl h GLN 12 Cb 0.44 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.14 2wwl h GLN 12 CO 0.02 0.85 0.41 1.03 -0.67 0.00 0.00 178.83 180.47 2wwl h SER 13 N -0.45 0.38 -0.23 1.46 0.87 -0.87 -2.34 113.55 112.38 2wwl h SER 13 Ca -0.02 0.14 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 2wwl h SER 13 Cb 0.91 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2wwl h SER 13 CO 0.04 0.05 -0.20 -0.08 -0.53 0.00 0.00 176.83 176.11 2wwl h GLU 14 N 0.45 0.54 -0.96 2.24 4.57 -1.12 0.71 114.58 121.03 2wwl h GLU 14 Ca 0.54 -0.28 0.14 0.00 -1.18 0.00 0.00 59.36 58.58 2wwl h GLU 14 Cb 0.97 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.49 2wwl h GLU 14 CO -0.49 0.86 0.61 0.87 -1.18 0.00 0.00 179.01 179.68 2wwl h LYS 15 N 0.24 0.82 0.49 1.92 1.57 -1.22 0.13 116.57 120.53 2wwl h LYS 15 Ca 0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2wwl h LYS 15 Cb 0.75 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2wwl h LYS 15 CO 0.05 0.54 -0.24 0.00 -0.57 0.00 0.00 179.45 179.24 2wwl h ALA 16 N 1.57 -0.66 -0.49 3.86 0.00 -1.35 -2.91 119.26 119.28 2wwl h ALA 16 Ca 0.48 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2wwl h ALA 16 Cb 0.62 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2wwl h ALA 16 CO -0.25 -0.77 0.32 -0.09 0.00 0.00 0.00 179.25 178.46 2wwl h ARG 17 N -0.87 0.63 -0.79 0.00 2.43 -0.37 -0.11 114.38 115.30 2wwl h ARG 17 Ca -0.07 -0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.21 2wwl h ARG 17 Cb 0.59 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 2wwl h ARG 17 CO 0.11 0.42 0.52 0.87 -1.51 0.00 0.00 179.97 180.38 2wwl h LYS 18 N 0.65 0.48 0.00 0.20 1.57 -0.83 0.33 116.57 118.97 2wwl h LYS 18 Ca 0.18 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.72 2wwl h LYS 18 Cb -0.06 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 2wwl h LYS 18 CO -0.05 0.32 -1.22 1.58 -0.57 0.00 0.00 179.45 179.51 2wwl n HIS 19 N -4.50 0.95 -0.25 -1.35 -0.00 -0.65 -3.95 115.22 105.47 2wwl n HIS 19 Ca 0.15 0.41 0.06 0.00 0.46 0.00 0.00 57.72 58.80 2wwl n HIS 19 Cb 0.51 -1.05 0.19 0.00 -0.12 0.00 0.00 29.99 29.52 2wwl n HIS 19 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 2wwl h ASN 20 N -1.00 0.17 -0.53 0.26 4.21 -1.05 -1.10 115.58 116.54 2wwl h ASN 20 Ca -0.32 0.12 0.06 0.00 1.21 0.00 0.00 56.30 57.37 2wwl h ASN 20 Cb 1.21 0.13 -0.09 0.00 -1.12 0.00 0.00 38.32 38.45 2wwl h ASN 20 CO -0.19 0.04 -0.54 0.00 -1.29 0.00 0.00 177.43 175.45 2wwl h ALA 21 N 1.57 -0.70 -0.94 -0.83 0.00 -1.10 -1.77 119.26 115.49 2wwl h ALA 21 Ca 0.42 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.49 2wwl h ALA 21 Cb 0.67 1.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.55 2wwl h ALA 21 CO -0.45 -0.99 0.56 0.77 0.00 0.00 0.00 179.25 179.14 2wwl h SER 22 N -0.28 0.77 -0.16 0.00 0.02 -1.33 -2.12 113.55 110.45 2wwl h SER 22 Ca 0.09 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 2wwl h SER 22 Cb 0.52 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2wwl h SER 22 CO -0.65 0.37 -0.19 0.03 -1.14 0.00 0.00 176.83 175.26 2wwl h ARG 23 N 0.83 0.58 -0.11 3.45 2.47 -1.13 -2.27 114.38 118.21 2wwl h ARG 23 Ca 0.49 -0.20 -0.18 0.00 -1.26 0.00 0.00 59.98 58.82 2wwl h ARG 23 Cb 0.58 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.87 2wwl h ARG 23 CO -0.31 0.74 -0.65 0.00 0.56 0.00 0.00 179.97 180.31 2wwl h ARG 24 N 0.52 0.63 0.03 0.04 3.08 -0.72 -3.22 114.38 114.74 2wwl h ARG 24 Ca 0.08 -0.54 0.03 0.00 0.07 0.00 0.00 59.98 59.62 2wwl h ARG 24 Cb 0.62 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.75 2wwl h ARG 24 CO 0.04 1.15 -0.26 1.03 -1.07 0.00 0.00 179.97 180.87 2wwl h SER 25 N 0.28 -0.75 -0.69 7.04 0.87 -1.26 0.03 113.55 119.07 2wwl h SER 25 Ca -0.05 0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 2wwl h SER 25 Cb 1.30 0.30 -0.08 0.00 -0.44 0.00 0.00 62.40 63.48 2wwl h SER 25 CO 0.13 -0.33 -0.41 0.23 -0.53 0.00 0.00 176.83 175.92 2wwl n MET 26 N -5.37 -0.31 0.11 2.24 2.81 -0.87 -1.12 117.12 114.61 2wwl n MET 26 Ca -0.05 1.18 -0.13 0.00 -1.81 0.00 0.00 57.70 56.89 2wwl n MET 26 Cb 0.29 -1.74 -0.08 0.00 -0.71 0.00 0.00 33.22 30.97 2wwl n MET 26 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 2wwl h MET 27 N 0.00 -0.29 -1.32 0.03 -1.53 -1.47 -0.40 114.93 109.94 2wwl h MET 27 Ca 0.11 0.02 0.39 0.00 -3.44 0.00 0.00 59.70 56.78 2wwl h MET 27 Cb 0.28 0.07 -0.08 0.00 -0.55 0.00 0.00 31.60 31.32 2wwl h MET 27 CO -0.65 0.05 0.92 0.00 0.14 0.00 0.00 176.91 177.37 2wwl h ARG 28 N -0.68 0.09 0.05 0.39 3.08 -0.81 -1.02 114.38 115.48 2wwl h ARG 28 Ca -0.03 -0.01 -0.29 0.00 0.07 0.00 0.00 59.98 59.72 2wwl h ARG 28 Cb 0.47 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 2wwl h ARG 28 CO 0.05 0.06 -1.59 2.41 -1.07 0.00 0.00 179.97 179.83 2wwl n THR 29 N -4.31 1.64 -0.03 2.04 -1.04 -0.28 -4.16 114.28 108.14 2wwl n THR 29 Ca 0.31 -0.29 0.03 0.00 -2.04 0.00 0.00 64.05 62.06 2wwl n THR 29 Cb 1.35 -1.91 0.40 0.00 -1.82 0.00 0.00 70.33 68.34 2wwl n THR 29 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2wwl h PHE 30 N -0.56 0.57 -0.50 -1.42 0.05 0.19 -2.10 116.94 113.18 2wwl h PHE 30 Ca -0.39 0.01 -0.10 0.00 3.82 0.00 0.00 57.97 61.31 2wwl h PHE 30 Cb 1.61 -0.19 -0.02 0.00 2.00 0.00 0.00 35.95 39.35 2wwl h PHE 30 CO 0.09 0.36 -0.10 0.97 -0.18 0.00 0.00 178.31 179.45 2wwl h ILE 31 N 0.61 1.26 -0.25 -0.55 2.10 -1.56 -2.00 117.51 117.13 2wwl h ILE 31 Ca 0.17 -1.21 -0.04 0.00 1.08 0.00 0.00 64.86 64.85 2wwl h ILE 31 Cb -0.06 0.98 -0.01 0.00 -1.09 0.00 0.00 36.82 36.63 2wwl h ILE 31 CO -0.04 0.42 -0.04 0.11 -1.08 0.00 0.00 178.15 177.53 2wwl h LYS 32 N 0.83 0.39 0.00 2.19 1.79 -1.55 -2.51 116.57 117.71 2wwl h LYS 32 Ca 0.14 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2wwl h LYS 32 Cb 0.62 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2wwl h LYS 32 CO 0.04 0.45 -0.04 0.87 -1.08 0.00 0.00 179.45 179.69 2wwl h LYS 33 N 0.37 0.00 0.16 3.15 1.57 -1.11 -1.90 116.57 118.81 2wwl h LYS 33 Ca 0.08 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.65 2wwl h LYS 33 Cb 0.31 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.64 2wwl h LYS 33 CO 0.01 0.04 -0.95 0.28 -0.57 0.00 0.00 179.45 178.25 2wwl h VAL 34 N 0.00 1.45 0.00 0.50 2.07 -1.46 -3.34 116.25 115.47 2wwl h VAL 34 Ca -0.00 -2.56 -0.01 0.00 0.82 0.00 0.00 66.70 64.96 2wwl h VAL 34 Cb 0.11 3.15 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2wwl h VAL 34 CO 0.00 0.73 -0.03 1.88 0.02 0.00 0.00 177.57 180.17 2wwl h TYR 35 N -0.29 0.00 -0.13 1.57 0.05 -1.35 -1.13 116.97 115.69 2wwl h TYR 35 Ca -0.17 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.63 2wwl h TYR 35 Cb 1.73 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.44 2wwl h TYR 35 CO 0.18 0.03 -0.29 0.00 -1.05 0.00 0.00 178.16 177.03 2wwl h ALA 36 N 1.97 -0.63 0.00 3.88 0.00 -1.48 -2.59 119.26 120.41 2wwl h ALA 36 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wwl h ALA 36 Cb 0.08 0.85 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2wwl h ALA 36 CO 0.00 -0.75 0.27 0.00 0.00 0.00 0.00 179.25 178.77 2wwl h ALA 37 N -0.76 1.23 0.00 0.00 0.00 -1.34 -2.67 119.26 115.71 2wwl h ALA 37 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wwl h ALA 37 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wwl h ALA 37 CO -0.26 -0.23 -0.24 0.82 0.00 0.00 0.00 179.25 179.34 2wwl h ILE 38 N 0.00 0.00 -0.54 0.00 1.08 -1.44 -1.90 117.51 114.71 2wwl h ILE 38 Ca 0.00 -0.83 -0.11 0.00 -0.39 0.00 0.00 64.86 63.53 2wwl h ILE 38 Cb 0.53 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 2wwl h ILE 38 CO 0.00 0.00 -0.10 1.05 -0.69 0.00 0.00 178.15 178.41 2wwl h GLU 39 N -0.83 1.01 0.00 2.37 4.11 -1.39 -2.34 114.58 117.51 2wwl h GLU 39 Ca 0.00 -0.37 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2wwl h GLU 39 Cb 0.24 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2wwl h GLU 39 CO 0.00 1.05 -0.10 0.00 0.07 0.00 0.00 179.01 180.03 2wwl n ALA 40 N -2.50 2.41 -0.88 1.06 0.00 -1.02 -4.97 120.51 114.61 2wwl n ALA 40 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wwl n ALA 40 Cb 0.40 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2wwl n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwl n GLY 41 N 1.34 0.65 3.42 0.00 0.00 -0.88 -5.00 105.19 104.72 2wwl n GLY 41 Ca 0.05 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 44.90 2wwl n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wwl s ASP 42 N -2.70 6.81 0.22 1.61 -0.00 -0.73 -4.91 116.67 116.97 2wwl s ASP 42 Ca 0.00 -2.52 -0.07 0.00 -0.00 0.00 0.00 52.55 49.96 2wwl s ASP 42 Cb 0.00 -2.34 0.36 0.00 -0.00 0.00 0.00 42.92 40.94 2wwl s ASP 42 CO 0.00 -0.82 1.72 0.11 -0.00 0.00 0.00 175.17 176.17 2wwl h LYS 43 N 8.07 0.33 0.27 8.23 1.79 -1.95 -2.60 116.57 130.72 2wwl h LYS 43 Ca 0.18 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2wwl h LYS 43 Cb 0.98 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2wwl h LYS 43 CO 1.05 0.22 -0.13 0.00 -1.08 0.00 0.00 179.45 179.51 2wwl h ALA 44 N 1.50 -1.01 -0.86 3.86 0.00 -1.95 -3.23 119.26 117.59 2wwl h ALA 44 Ca 0.36 -0.08 0.27 0.00 0.00 0.00 0.00 54.91 55.45 2wwl h ALA 44 Cb 0.53 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.30 2wwl h ALA 44 CO -0.40 -0.98 0.12 0.00 0.00 0.00 0.00 179.25 178.00 2wwl n ALA 45 N -2.20 0.54 -0.09 0.00 0.00 -1.05 -1.77 120.51 115.94 2wwl n ALA 45 Ca -0.05 0.91 -0.09 0.00 0.00 0.00 0.00 53.44 54.21 2wwl n ALA 45 Cb 0.14 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 2wwl n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwl h ALA 46 N 1.71 -0.30 -2.27 0.00 0.00 -1.48 -0.12 119.26 116.80 2wwl h ALA 46 Ca 0.57 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.55 2wwl h ALA 46 Cb 1.27 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2wwl h ALA 46 CO -0.77 -0.78 0.00 0.94 0.00 0.00 0.00 179.25 178.63 2wwl n GLN 47 N -5.42 0.00 -0.29 0.00 7.27 -0.73 -1.97 117.38 116.24 2wwl n GLN 47 Ca -0.01 0.38 0.11 0.00 0.07 0.00 0.00 57.00 57.56 2wwl n GLN 47 Cb 0.34 -1.12 0.23 0.00 2.41 0.00 0.00 30.24 32.09 2wwl n GLN 47 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2wwl n LYS 48 N -1.19 -0.07 -0.12 3.69 4.76 -1.10 -1.54 118.16 122.60 2wwl n LYS 48 Ca 0.00 1.24 -0.12 0.00 -2.87 0.00 0.00 58.31 56.56 2wwl n LYS 48 Cb 0.00 -1.96 -0.03 0.00 -1.84 0.00 0.00 35.03 31.21 2wwl n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wwl h ALA 49 N 1.65 0.51 -0.07 7.82 0.00 -1.06 -2.77 119.26 125.33 2wwl h ALA 49 Ca 0.49 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2wwl h ALA 49 Cb 0.97 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2wwl h ALA 49 CO -0.79 0.45 -0.16 0.35 0.00 0.00 0.00 179.25 179.10 2wwl h PHE 50 N 0.55 -0.41 -0.99 0.00 3.57 -0.64 -3.13 116.94 115.88 2wwl h PHE 50 Ca 0.08 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.71 2wwl h PHE 50 Cb 0.73 0.19 -0.08 0.00 2.79 0.00 0.00 35.95 39.59 2wwl h PHE 50 CO 0.06 -0.23 0.63 -0.91 -2.23 0.00 0.00 178.31 175.63 2wwl h ASN 51 N -0.23 0.91 0.86 0.41 -0.26 -1.24 -1.59 115.58 114.45 2wwl h ASN 51 Ca 0.08 0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 55.86 2wwl h ASN 51 Cb 0.33 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 2wwl h ASN 51 CO -0.21 0.50 -0.01 1.05 -1.06 0.00 0.00 177.43 177.71 2wwl h GLU 52 N 0.99 0.00 -0.00 0.81 4.11 -1.50 -3.26 114.58 115.73 2wwl h GLU 52 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 2wwl h GLU 52 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2wwl h GLU 52 CO -0.24 0.01 -0.31 0.00 0.07 0.00 0.00 179.01 178.53 2wwl n MET 53 N -3.10 3.02 -0.13 1.06 0.00 -0.94 -4.68 117.12 112.35 2wwl n MET 53 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 57.70 57.33 2wwl n MET 53 Cb 0.27 -1.00 0.02 0.00 0.00 0.00 0.00 33.22 32.51 2wwl n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2wwl h GLN 54 N 0.55 0.49 0.35 3.17 4.15 -1.34 -2.46 115.11 120.02 2wwl h GLN 54 Ca 0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2wwl h GLN 54 Cb 0.27 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2wwl h GLN 54 CO 0.00 0.32 -0.17 -1.35 -1.93 0.00 0.00 178.83 175.70 2wwl h PRO 55 N 0.51 -0.46 -0.31 -2.39 0.11 -1.84 -3.33 132.00 124.29 2wwl h PRO 55 Ca 0.17 0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.34 2wwl h PRO 55 Cb 0.01 0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.17 2wwl h PRO 55 CO -0.08 -0.14 -0.31 0.82 -0.21 0.00 0.00 178.00 178.08 2wwl h ILE 56 N -0.89 0.00 -1.01 4.15 2.04 -1.76 -0.18 117.51 119.86 2wwl h ILE 56 Ca -0.05 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.06 2wwl h ILE 56 Cb 0.53 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 2wwl h ILE 56 CO 0.08 0.00 0.65 1.62 0.00 0.00 0.00 178.15 180.50 2wwl h VAL 57 N -0.17 0.57 -0.21 1.67 3.04 -1.65 -2.25 116.25 117.25 2wwl h VAL 57 Ca 0.05 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.56 2wwl h VAL 57 Cb 0.30 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 2wwl h VAL 57 CO -0.38 0.08 -0.01 0.44 -1.01 0.00 0.00 177.57 176.69 2wwl h ASP 58 N 0.42 0.37 0.02 3.17 3.45 -1.18 -3.30 116.42 119.37 2wwl h ASP 58 Ca 0.56 -0.32 0.02 0.00 0.43 0.00 0.00 57.03 57.73 2wwl h ASP 58 Cb 1.39 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 40.03 2wwl h ASP 58 CO -0.27 0.60 -0.17 0.03 -1.57 0.00 0.00 179.24 177.86 2wwl h ARG 59 N 0.14 -0.27 -0.91 3.56 3.08 -0.66 -1.73 114.38 117.58 2wwl h ARG 59 Ca 0.06 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.34 2wwl h ARG 59 Cb 0.41 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.46 2wwl h ARG 59 CO 0.01 -0.18 0.60 1.96 -1.07 0.00 0.00 179.97 181.29 2wwl h GLN 60 N -0.28 0.36 -0.21 0.04 4.20 -1.69 -1.77 115.11 115.75 2wwl h GLN 60 Ca 0.05 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2wwl h GLN 60 Cb 0.34 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2wwl h GLN 60 CO -0.15 0.24 -0.11 0.00 -0.67 0.00 0.00 178.83 178.14 2wwl h ALA 61 N 1.61 0.30 -0.31 3.87 0.00 -1.40 -1.00 119.26 122.33 2wwl h ALA 61 Ca 0.47 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wwl h ALA 61 Cb 1.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2wwl h ALA 61 CO -0.17 0.15 0.20 0.00 0.00 0.00 0.00 179.25 179.43 2wwl h ALA 62 N 0.70 0.39 0.38 0.00 0.00 -1.12 -2.54 119.26 117.07 2wwl h ALA 62 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wwl h ALA 62 Cb 0.61 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2wwl h ALA 62 CO 0.03 -0.16 -0.34 0.87 0.00 0.00 0.00 179.25 179.65 2wwl h LYS 63 N 0.40 -0.71 0.00 0.00 1.57 -1.53 -3.47 116.57 112.83 2wwl h LYS 63 Ca 0.12 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2wwl h LYS 63 Cb -0.03 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2wwl h LYS 63 CO -0.04 -0.47 0.00 0.41 -0.57 0.00 0.00 179.45 178.78 2wwl n GLY 64 N -1.46 0.01 0.23 3.86 0.00 -0.50 -4.97 105.19 102.37 2wwl n GLY 64 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 2wwl n GLY 64 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wwl h LEU 65 N 0.00 0.63 0.00 0.99 3.38 -1.47 -3.11 115.31 115.73 2wwl h LEU 65 Ca 0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2wwl h LEU 65 Cb 0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2wwl h LEU 65 CO 0.00 0.45 -1.72 -0.38 0.09 0.00 0.00 178.44 176.88 2wwl n ILE 66 N -4.71 0.49 -1.20 1.22 2.08 -1.05 -5.00 119.36 111.19 2wwl n ILE 66 Ca 0.04 -0.42 0.00 0.00 0.56 0.00 0.00 62.75 62.93 2wwl n ILE 66 Cb 0.03 -0.33 0.00 0.00 -0.75 0.00 0.00 39.64 38.59 2wwl n ILE 66 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wwl n HIS 67 N -2.24 -3.27 -0.13 1.39 1.44 -1.18 -4.44 115.22 106.79 2wwl n HIS 67 Ca -0.13 1.77 -0.06 0.00 -2.01 0.00 0.00 57.72 57.30 2wwl n HIS 67 Cb 0.66 -2.87 0.01 0.00 0.12 0.00 0.00 29.99 27.91 2wwl n HIS 67 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2wwl h LYS 68 N 0.13 -0.16 0.00 -1.40 1.57 -1.84 -3.14 116.57 111.73 2wwl h LYS 68 Ca 0.00 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2wwl h LYS 68 Cb 0.73 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2wwl h LYS 68 CO 0.00 -0.11 -0.92 -0.91 -0.57 0.00 0.00 179.45 176.94 2wwl h ASN 69 N -0.17 0.00 0.00 0.86 2.35 -1.91 -3.14 115.58 113.57 2wwl h ASN 69 Ca 0.20 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 2wwl h ASN 69 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2wwl h ASN 69 CO -0.54 0.21 -0.37 0.50 -1.65 0.00 0.00 177.43 175.59 2wwl h LYS 70 N 0.00 0.00 -0.08 0.81 3.64 -1.76 -3.32 116.57 115.86 2wwl h LYS 70 Ca -0.05 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2wwl h LYS 70 Cb 1.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2wwl h LYS 70 CO 0.02 0.81 0.09 0.00 -2.27 0.00 0.00 179.45 178.10 2wwl h ALA 71 N -0.32 1.67 -0.05 5.00 0.00 -1.64 -2.34 119.26 121.57 2wwl h ALA 71 Ca -0.09 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2wwl h ALA 71 Cb 0.92 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2wwl h ALA 71 CO -0.06 -0.13 -0.52 0.00 0.00 0.00 0.00 179.25 178.54 2wwl h ALA 72 N 1.90 -0.89 -0.27 0.00 0.00 -1.64 -1.88 119.26 116.48 2wwl h ALA 72 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2wwl h ALA 72 Cb 0.21 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2wwl h ALA 72 CO -0.00 -1.08 -0.33 -0.09 0.00 0.00 0.00 179.25 177.74 2wwl h ARG 73 N -0.63 0.58 -0.90 0.00 2.43 -1.56 -1.62 114.38 112.68 2wwl h ARG 73 Ca 0.03 -0.27 0.22 0.00 -0.81 0.00 0.00 59.98 59.15 2wwl h ARG 73 Cb 0.70 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 2wwl h ARG 73 CO -0.38 0.84 0.61 0.45 -1.51 0.00 0.00 179.97 179.97 2wwl h HIS 74 N 0.49 0.43 0.01 2.20 3.86 -1.33 -2.01 115.15 118.81 2wwl h HIS 74 Ca 0.06 0.01 -0.29 0.00 -1.16 0.00 0.00 60.37 58.99 2wwl h HIS 74 Cb 0.82 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.11 2wwl h HIS 74 CO 0.03 0.11 -1.68 -0.22 0.86 0.00 0.00 177.93 177.03 2wwl h LYS 75 N 0.32 0.03 0.50 2.45 3.64 -0.50 -2.52 116.57 120.48 2wwl h LYS 75 Ca 0.47 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 2wwl h LYS 75 Cb 1.30 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2wwl h LYS 75 CO -0.15 0.59 -0.24 0.00 -2.27 0.00 0.00 179.45 177.38 2wwl h ALA 76 N 0.92 -1.06 -0.79 5.00 0.00 -1.31 -2.74 119.26 119.27 2wwl h ALA 76 Ca -0.28 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.64 2wwl h ALA 76 Cb 2.00 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 19.90 2wwl h ALA 76 CO 0.09 -1.01 -0.21 -0.91 0.00 0.00 0.00 179.25 177.21 2wwl h ASN 77 N -0.74 -0.78 0.17 0.00 -0.26 -1.45 -1.83 115.58 110.69 2wwl h ASN 77 Ca -0.07 0.24 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2wwl h ASN 77 Cb 0.52 0.50 -0.02 0.00 -1.06 0.00 0.00 38.32 38.26 2wwl h ASN 77 CO 0.11 -0.27 -0.32 -0.07 -1.06 0.00 0.00 177.43 175.83 2wwl h LEU 78 N -0.01 -0.92 -1.14 1.61 3.38 -1.51 -2.83 115.31 113.90 2wwl h LEU 78 Ca 0.37 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.54 2wwl h LEU 78 Cb 0.58 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 2wwl h LEU 78 CO -0.82 -0.37 0.60 0.74 0.09 0.00 0.00 178.44 178.69 2wwl h THR 79 N -0.52 0.93 -0.64 0.22 2.02 -1.24 -2.44 112.91 111.24 2wwl h THR 79 Ca -0.02 -0.31 0.09 0.00 0.77 0.00 0.00 66.41 66.95 2wwl h THR 79 Cb 0.49 -0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.78 2wwl h THR 79 CO -0.12 0.16 0.27 0.00 0.37 0.00 0.00 175.52 176.20 2wwl h ALA 80 N 1.55 0.84 -0.06 6.16 0.00 -1.15 -1.75 119.26 124.85 2wwl h ALA 80 Ca 0.45 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.47 2wwl h ALA 80 Cb 0.49 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2wwl h ALA 80 CO -0.21 -0.15 -0.49 1.96 0.00 0.00 0.00 179.25 180.36 2wwl h GLN 81 N 0.47 -0.57 0.00 0.00 1.08 -1.20 -3.22 115.11 111.66 2wwl h GLN 81 Ca 0.32 0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.53 2wwl h GLN 81 Cb 0.37 0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2wwl h GLN 81 CO -0.29 -0.38 -0.14 -0.84 -0.95 0.00 0.00 178.83 176.23 2wwl h ILE 82 N -0.59 0.44 -0.11 2.54 3.07 -1.20 -2.67 117.51 118.99 2wwl h ILE 82 Ca 0.04 -0.75 -0.24 0.00 1.55 0.00 0.00 64.86 65.47 2wwl h ILE 82 Cb 0.68 1.53 0.01 0.00 -0.27 0.00 0.00 36.82 38.77 2wwl h ILE 82 CO -0.38 0.14 -0.86 0.78 -1.05 0.00 0.00 178.15 176.77 2wwl h ASN 83 N 0.00 0.94 0.61 2.16 2.35 -1.46 -1.40 115.58 118.78 2wwl h ASN 83 Ca -0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 2wwl h ASN 83 Cb 0.52 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2wwl h ASN 83 CO 0.02 1.46 -0.49 2.29 -1.65 0.00 0.00 177.43 179.06 2wwl n LYS 84 N -3.91 0.06 0.00 0.81 -0.00 -1.18 -4.47 118.16 109.47 2wwl n LYS 84 Ca -0.09 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2wwl n LYS 84 Cb 0.79 -1.53 0.00 0.00 -0.00 0.00 0.00 35.03 34.29 2wwl n LYS 84 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2wwl n LEU 85 N -1.61 0.19 -0.75 -5.58 7.94 -1.01 -5.12 117.00 111.05 2wwl n LEU 85 Ca 0.05 0.07 0.13 0.00 -1.11 0.00 0.00 56.01 55.15 2wwl n LEU 85 Cb 0.36 -0.34 0.29 0.00 0.53 0.00 0.00 43.42 44.25 2wwl n LEU 85 CO 0.35 -0.34 0.74 0.00 -1.11 0.00 0.00 177.39 177.02