#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg s ASN 9 N 0.00 4.30 -0.17 0.55 0.01 -1.26 -5.13 114.94 113.24 2wdg s ASN 9 Ca 0.00 -0.41 -0.03 0.00 -0.71 0.00 0.00 52.86 51.72 2wdg s ASN 9 Cb 0.00 -0.79 -0.02 0.00 0.41 0.00 0.00 41.25 40.85 2wdg s ASN 9 CO 0.00 0.19 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.49 2wdg s LEU 10 N -2.13 2.99 0.00 0.60 0.20 -1.26 -5.03 118.68 114.05 2wdg s LEU 10 Ca 0.20 -0.27 -0.02 0.00 0.69 0.00 0.00 54.13 54.73 2wdg s LEU 10 Cb -0.11 -1.72 -0.09 0.00 -0.43 0.00 0.00 46.19 43.84 2wdg s LEU 10 CO 0.12 0.10 2.15 -1.20 -0.29 0.00 0.00 176.35 177.24 2wdg n SER 11 N 3.96 4.13 -0.71 3.68 7.64 -1.26 -3.23 113.62 127.83 2wdg n SER 11 Ca -0.18 -2.17 0.10 0.00 1.01 0.00 0.00 58.87 57.64 2wdg n SER 11 Cb 0.52 -0.98 0.06 0.00 -1.01 0.00 0.00 64.21 62.80 2wdg n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wdg n ALA 12 N 2.04 2.77 0.57 -0.43 0.00 -1.26 -3.99 120.51 120.21 2wdg n ALA 12 Ca 0.14 -0.65 0.09 0.00 0.00 0.00 0.00 53.44 53.02 2wdg n ALA 12 Cb 0.53 -0.71 0.37 0.00 0.00 0.00 0.00 19.45 19.65 2wdg n ALA 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2wdg n LEU 13 N 0.78 0.08 0.15 0.00 -0.00 -1.20 -1.62 117.00 115.19 2wdg n LEU 13 Ca 0.11 0.52 0.01 0.00 -0.00 0.00 0.00 56.01 56.65 2wdg n LEU 13 Cb 0.49 -0.50 0.32 0.00 -0.00 0.00 0.00 43.42 43.72 2wdg n LEU 13 CO 0.17 -0.24 0.71 0.50 -0.00 0.00 0.00 177.39 178.53 2wdg h LYS 14 N 0.00 0.09 0.00 1.47 3.64 -1.88 0.04 116.57 119.93 2wdg h LYS 14 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2wdg h LYS 14 Cb 0.31 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2wdg h LYS 14 CO 0.00 0.45 -0.05 0.00 -2.27 0.00 0.00 179.45 177.57 2wdg h ARG 15 N 0.07 0.00 0.00 1.90 2.47 -1.60 -2.37 114.38 114.85 2wdg h ARG 15 Ca 0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wdg h ARG 15 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 2wdg h ARG 15 CO 0.05 0.05 -0.01 1.25 0.56 0.00 0.00 179.97 181.87 2wdg h HIS 16 N 0.00 0.01 -0.79 3.04 2.76 -1.14 -0.45 115.15 118.57 2wdg h HIS 16 Ca -0.00 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.35 2wdg h HIS 16 Cb 0.29 -0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.13 2wdg h HIS 16 CO 0.00 0.96 0.23 0.00 -1.30 0.00 0.00 177.93 177.82 2wdg h ARG 17 N -0.95 0.28 -0.24 5.26 3.08 -1.13 0.48 114.38 121.17 2wdg h ARG 17 Ca -0.00 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.85 2wdg h ARG 17 Cb 0.96 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 2wdg h ARG 17 CO 0.00 0.19 -0.56 1.96 -1.07 0.00 0.00 179.97 180.49 2wdg h GLN 18 N 0.29 0.72 -0.88 0.04 4.20 -1.51 -2.68 115.11 115.30 2wdg h GLN 18 Ca 0.47 -0.46 0.23 0.00 0.06 0.00 0.00 58.65 58.94 2wdg h GLN 18 Cb 0.83 0.06 -0.13 0.00 0.30 0.00 0.00 27.48 28.54 2wdg h GLN 18 CO -0.54 1.09 0.31 1.03 -0.67 0.00 0.00 178.83 180.05 2wdg h SER 19 N 0.55 0.17 0.29 1.46 0.87 0.16 0.48 113.55 117.53 2wdg h SER 19 Ca 0.01 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2wdg h SER 19 Cb 1.14 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2wdg h SER 19 CO 0.12 -0.08 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.13 2wdg h LEU 20 N 0.30 -0.33 -1.84 2.23 3.38 -0.95 0.10 115.31 118.20 2wdg h LEU 20 Ca 0.55 -0.18 0.25 0.00 0.09 0.00 0.00 57.88 58.59 2wdg h LEU 20 Cb 1.08 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 2wdg h LEU 20 CO -0.59 0.15 0.65 0.11 0.09 0.00 0.00 178.44 178.85 2wdg h LYS 21 N -0.96 0.11 0.08 1.13 1.57 -1.05 0.71 116.57 118.16 2wdg h LYS 21 Ca -0.04 -0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.48 2wdg h LYS 21 Cb 0.49 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2wdg h LYS 21 CO 0.06 0.08 -1.22 0.00 -0.57 0.00 0.00 179.45 177.80 2wdg h ARG 22 N 0.12 0.17 0.13 3.15 3.08 -0.02 -2.69 114.38 118.32 2wdg h ARG 22 Ca 0.45 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2wdg h ARG 22 Cb 1.60 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.76 2wdg h ARG 22 CO -0.07 1.10 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.79 2wdg h ARG 23 N 0.05 -0.16 -0.58 0.04 2.43 0.30 -3.12 114.38 113.33 2wdg h ARG 23 Ca -0.11 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2wdg h ARG 23 Cb 1.91 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.47 2wdg h ARG 23 CO 0.17 0.19 0.29 1.25 -1.51 0.00 0.00 179.97 180.37 2wdg h LEU 24 N -0.55 0.72 -0.49 3.80 7.12 -1.01 0.90 115.31 125.81 2wdg h LEU 24 Ca -0.02 -0.06 0.10 0.00 0.13 0.00 0.00 57.88 58.03 2wdg h LEU 24 Cb 0.43 -0.18 -0.10 0.00 -0.53 0.00 0.00 40.66 40.28 2wdg h LEU 24 CO 0.03 0.60 -0.19 -0.09 -0.13 0.00 0.00 178.44 178.67 2wdg h ARG 25 N 0.81 -0.07 0.00 1.25 2.43 -1.42 -2.64 114.38 114.74 2wdg h ARG 25 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2wdg h ARG 25 Cb 0.06 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2wdg h ARG 25 CO -0.03 -0.05 -1.51 0.27 -1.51 0.00 0.00 179.97 177.14 2wdg n ASN 26 N -5.39 0.42 -0.24 -3.80 2.04 -1.15 -3.69 115.26 103.45 2wdg n ASN 26 Ca 0.04 -0.30 0.07 0.00 -0.44 0.00 0.00 54.58 53.95 2wdg n ASN 26 Cb 0.30 1.45 0.32 0.00 -2.53 0.00 0.00 39.78 39.32 2wdg n ASN 26 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 2wdg h LYS 27 N 0.00 0.80 0.30 -3.83 3.11 -0.51 0.30 116.57 116.75 2wdg h LYS 27 Ca 0.00 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 2wdg h LYS 27 Cb 0.81 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 2wdg h LYS 27 CO 0.00 0.53 -0.14 0.00 -2.81 0.00 0.00 179.45 177.03 2wdg h ALA 28 N 1.57 -0.45 0.00 5.00 0.00 -1.62 -2.29 119.26 121.48 2wdg h ALA 28 Ca 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2wdg h ALA 28 Cb 0.35 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wdg h ALA 28 CO -0.14 -0.42 0.00 1.57 0.00 0.00 0.00 179.25 180.25 2wdg h LYS 29 N -0.97 0.00 0.02 0.00 2.10 -1.59 -1.16 116.57 114.97 2wdg h LYS 29 Ca -0.04 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.52 2wdg h LYS 29 Cb 0.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 2wdg h LYS 29 CO 0.07 0.00 -0.47 -0.22 -2.00 0.00 0.00 179.45 176.83 2wdg h LYS 30 N 0.00 0.05 0.00 0.07 3.11 -0.42 -3.02 116.57 116.35 2wdg h LYS 30 Ca 0.00 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2wdg h LYS 30 Cb 0.01 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 2wdg h LYS 30 CO 0.00 1.04 0.00 -1.13 -2.81 0.00 0.00 179.45 176.55 2wdg n SER 31 N -4.47 0.38 -0.04 4.20 3.41 -0.67 -2.02 113.62 114.41 2wdg n SER 31 Ca -0.17 0.61 -0.17 0.00 -0.26 0.00 0.00 58.87 58.89 2wdg n SER 31 Cb 0.59 -0.68 -0.13 0.00 -0.26 0.00 0.00 64.21 63.72 2wdg n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdg h ALA 32 N 2.27 0.03 -0.64 7.33 0.00 -1.33 -3.12 119.26 123.80 2wdg h ALA 32 Ca 0.00 -0.68 0.12 0.00 0.00 0.00 0.00 54.91 54.35 2wdg h ALA 32 Cb 0.24 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.06 2wdg h ALA 32 CO 0.00 0.24 -0.26 0.82 0.00 0.00 0.00 179.25 180.05 2wdg h ILE 33 N -0.80 0.23 -0.01 0.00 1.08 -1.27 -2.43 117.51 114.31 2wdg h ILE 33 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2wdg h ILE 33 Cb 1.25 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 35.22 2wdg h ILE 33 CO 0.01 0.00 -0.03 0.11 -0.69 0.00 0.00 178.15 177.55 2wdg h LYS 34 N -0.09 -0.03 -0.67 2.37 1.57 -1.57 -0.18 116.57 117.97 2wdg h LYS 34 Ca 0.28 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.20 2wdg h LYS 34 Cb 0.54 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.72 2wdg h LYS 34 CO -0.70 -0.02 -0.20 1.79 -0.57 0.00 0.00 179.45 179.75 2wdg h THR 35 N -0.03 0.28 -0.59 -0.16 1.35 -1.40 0.15 112.91 112.51 2wdg h THR 35 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.89 2wdg h THR 35 Cb 0.04 0.28 -0.04 0.00 -1.73 0.00 0.00 68.15 66.70 2wdg h THR 35 CO -0.03 0.00 0.35 -0.07 -0.25 0.00 0.00 175.52 175.53 2wdg h LEU 36 N -0.03 0.57 -1.34 3.87 -0.00 -1.22 0.79 115.31 117.95 2wdg h LEU 36 Ca 0.32 0.01 0.10 0.00 -0.00 0.00 0.00 57.88 58.31 2wdg h LEU 36 Cb 0.51 -0.11 -0.06 0.00 -0.00 0.00 0.00 40.66 41.00 2wdg h LEU 36 CO -0.71 0.39 0.53 0.28 -0.00 0.00 0.00 178.44 178.94 2wdg h SER 37 N 0.69 0.65 0.07 -0.43 0.02 0.11 0.23 113.55 114.90 2wdg h SER 37 Ca 0.24 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2wdg h SER 37 Cb 0.04 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2wdg h SER 37 CO -0.11 0.38 -0.03 0.11 -1.14 0.00 0.00 176.83 176.04 2wdg h LYS 38 N 0.72 -0.09 0.00 3.45 1.57 0.11 -2.64 116.57 119.69 2wdg h LYS 38 Ca 0.38 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2wdg h LYS 38 Cb 0.50 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2wdg h LYS 38 CO -0.15 0.30 0.26 1.17 -0.57 0.00 0.00 179.45 180.46 2wdg n LYS 39 N -4.79 0.06 -0.03 3.15 4.81 0.26 0.73 118.16 122.36 2wdg n LYS 39 Ca -0.05 0.49 -0.01 0.00 -0.87 0.00 0.00 58.31 57.87 2wdg n LYS 39 Cb 0.21 -1.97 -0.00 0.00 0.02 0.00 0.00 35.03 33.29 2wdg n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wdg h ALA 40 N 1.23 0.00 -0.19 3.14 0.00 -0.52 -3.31 119.26 119.60 2wdg h ALA 40 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.69 2wdg h ALA 40 Cb 0.52 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2wdg h ALA 40 CO 0.00 0.16 0.14 -0.84 0.00 0.00 0.00 179.25 178.71 2wdg h ILE 41 N -0.39 0.87 -0.08 0.00 3.07 -1.00 -1.80 117.51 118.18 2wdg h ILE 41 Ca 0.00 0.00 0.03 0.00 1.55 0.00 0.00 64.86 66.44 2wdg h ILE 41 Cb 0.16 0.90 -0.06 0.00 -0.27 0.00 0.00 36.82 37.54 2wdg h ILE 41 CO 0.00 0.00 -0.48 -0.61 -1.05 0.00 0.00 178.15 176.01 2wdg h GLN 42 N 0.00 -0.55 0.41 0.16 5.75 0.13 0.35 115.11 121.36 2wdg h GLN 42 Ca 0.09 0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 2wdg h GLN 42 Cb 0.37 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.05 2wdg h GLN 42 CO -0.00 -0.37 -0.19 -0.07 -2.65 0.00 0.00 178.83 175.55 2wdg h LEU 43 N -0.57 -0.46 -0.89 -2.39 3.38 -1.44 -1.84 115.31 111.09 2wdg h LEU 43 Ca 0.05 -0.10 0.24 0.00 0.09 0.00 0.00 57.88 58.16 2wdg h LEU 43 Cb 0.67 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.40 2wdg h LEU 43 CO -0.39 -0.15 0.31 0.00 0.09 0.00 0.00 178.44 178.30 2wdg h ALA 44 N -0.30 1.39 -0.50 1.53 0.00 -1.23 0.80 119.26 120.95 2wdg h ALA 44 Ca -0.06 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2wdg h ALA 44 Cb 0.53 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2wdg h ALA 44 CO 0.09 -0.45 0.19 0.37 0.00 0.00 0.00 179.25 179.45 2wdg h GLN 45 N 0.27 0.75 -0.23 0.00 -0.00 -0.17 -1.46 115.11 114.27 2wdg h GLN 45 Ca 0.57 -0.14 0.00 0.00 -0.00 0.00 0.00 58.65 59.08 2wdg h GLN 45 Cb 1.16 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.52 2wdg h GLN 45 CO -0.62 0.67 0.00 -1.91 0.00 0.00 0.00 178.83 176.98 2wdg n GLU 46 N -4.55 0.49 -2.74 1.69 2.13 0.27 -4.78 120.64 113.16 2wdg n GLU 46 Ca 0.02 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.64 2wdg n GLU 46 Cb 0.16 -1.11 0.02 0.00 0.27 0.00 0.00 31.44 30.78 2wdg n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wdg n GLY 47 N 0.11 -0.42 0.00 8.31 0.00 -0.55 -5.01 105.19 107.63 2wdg n GLY 47 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2wdg n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdg n LYS 48 N -3.43 3.14 0.00 1.61 4.76 -0.82 -4.97 118.16 118.46 2wdg n LYS 48 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 2wdg n LYS 48 Cb 0.64 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.83 2wdg n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdg n ALA 49 N -3.00 0.00 -0.19 7.82 0.00 -1.26 -4.88 120.51 119.00 2wdg n ALA 49 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2wdg n ALA 49 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2wdg n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wdg h GLU 50 N 0.00 -0.20 -0.50 0.00 4.11 -1.96 0.62 114.58 116.65 2wdg h GLU 50 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 2wdg h GLU 50 Cb 0.00 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2wdg h GLU 50 CO 0.00 -0.13 0.27 1.05 0.07 0.00 0.00 179.01 180.27 2wdg h GLU 51 N -0.20 0.68 0.00 1.06 4.11 -1.98 0.30 114.58 118.55 2wdg h GLU 51 Ca 0.20 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2wdg h GLU 51 Cb 0.56 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2wdg h GLU 51 CO -0.66 0.50 0.00 0.00 0.07 0.00 0.00 179.01 178.92 2wdg n ALA 52 N -2.46 -0.24 0.09 1.06 0.00 0.20 -2.10 120.51 117.06 2wdg n ALA 52 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 2wdg n ALA 52 Cb 0.10 0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 2wdg n ALA 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wdg h LEU 53 N 0.00 -1.37 -0.46 0.00 3.38 -0.94 -2.10 115.31 113.82 2wdg h LEU 53 Ca 0.00 0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2wdg h LEU 53 Cb 0.00 0.52 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 2wdg h LEU 53 CO 0.00 -0.50 -0.15 1.17 0.09 0.00 0.00 178.44 179.04 2wdg n LYS 54 N -5.47 -0.08 0.38 1.13 4.81 0.11 0.16 118.16 119.19 2wdg n LYS 54 Ca -0.07 0.72 -0.17 0.00 -0.87 0.00 0.00 58.31 57.92 2wdg n LYS 54 Cb 0.39 -1.07 -0.09 0.00 0.02 0.00 0.00 35.03 34.28 2wdg n LYS 54 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2wdg h ILE 55 N 0.00 0.22 -0.42 3.15 1.08 -0.82 -1.90 117.51 118.83 2wdg h ILE 55 Ca 0.19 -0.15 0.09 0.00 -0.39 0.00 0.00 64.86 64.59 2wdg h ILE 55 Cb 0.30 0.26 -0.09 0.00 -3.07 0.00 0.00 36.82 34.22 2wdg h ILE 55 CO -0.47 0.01 -0.26 -0.03 -0.69 0.00 0.00 178.15 176.72 2wdg h MET 56 N -1.08 -0.18 -0.83 2.37 1.85 0.18 0.23 114.93 117.47 2wdg h MET 56 Ca -0.10 0.01 0.20 0.00 -0.61 0.00 0.00 59.70 59.20 2wdg h MET 56 Cb 0.76 0.04 -0.12 0.00 0.43 0.00 0.00 31.60 32.71 2wdg h MET 56 CO 0.16 -0.12 0.25 -0.09 -0.40 0.00 0.00 176.91 176.71 2wdg h ARG 57 N -0.18 0.28 -0.23 0.39 2.43 0.53 0.99 114.38 118.58 2wdg h ARG 57 Ca 0.19 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2wdg h ARG 57 Cb 0.49 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2wdg h ARG 57 CO -0.52 0.18 0.04 -0.22 -1.51 0.00 0.00 179.97 177.94 2wdg h LYS 58 N 0.28 0.38 0.00 0.20 1.63 0.20 -2.91 116.57 116.35 2wdg h LYS 58 Ca 0.50 -0.10 -0.06 0.00 -0.85 0.00 0.00 60.65 60.14 2wdg h LYS 58 Cb 0.93 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.51 2wdg h LYS 58 CO -0.57 0.51 -0.27 0.00 -3.45 0.00 0.00 179.45 175.68 2wdg h ALA 59 N 0.85 0.93 0.00 5.00 0.00 0.43 -1.68 119.26 124.79 2wdg h ALA 59 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wdg h ALA 59 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wdg h ALA 59 CO 0.00 0.33 0.00 -1.91 0.00 0.00 0.00 179.25 177.68 2wdg n GLU 60 N -3.31 0.03 -0.02 0.00 2.13 0.33 -1.72 120.64 118.08 2wdg n GLU 60 Ca 0.01 0.34 -0.02 0.00 0.66 0.00 0.00 57.16 58.14 2wdg n GLU 60 Cb 0.51 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.72 2wdg n GLU 60 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2wdg n SER 61 N -1.40 0.50 -0.51 4.31 2.88 -0.65 -4.10 113.62 114.66 2wdg n SER 61 Ca 0.02 0.13 0.40 0.00 -1.33 0.00 0.00 58.87 58.09 2wdg n SER 61 Cb 0.04 -0.57 0.62 0.00 -0.75 0.00 0.00 64.21 63.55 2wdg n SER 61 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wdg n LEU 62 N -2.99 0.00 0.11 2.46 4.77 -1.03 0.61 117.00 120.93 2wdg n LEU 62 Ca -0.03 0.78 -0.05 0.00 -0.03 0.00 0.00 56.01 56.68 2wdg n LEU 62 Cb 0.12 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 2wdg n LEU 62 CO 0.05 -0.78 0.21 0.40 -1.33 0.00 0.00 177.39 175.93 2wdg h ILE 63 N 0.00 0.00 -0.28 -0.08 2.04 -1.54 -1.10 117.51 116.55 2wdg h ILE 63 Ca 0.71 -0.37 0.08 0.00 1.00 0.00 0.00 64.86 66.28 2wdg h ILE 63 Cb 2.99 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 2wdg h ILE 63 CO -0.01 0.00 0.27 0.44 0.00 0.00 0.00 178.15 178.85 2wdg h ASP 64 N -0.70 0.00 0.55 1.72 5.19 -0.19 0.16 116.42 123.15 2wdg h ASP 64 Ca -0.03 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 2wdg h ASP 64 Cb 0.25 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.77 2wdg h ASP 64 CO 0.06 0.00 -0.26 0.11 -3.12 0.00 0.00 179.24 176.02 2wdg h LYS 65 N 0.00 -0.71 0.00 3.56 1.79 0.19 -2.96 116.57 118.44 2wdg h LYS 65 Ca 0.13 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2wdg h LYS 65 Cb 0.68 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2wdg h LYS 65 CO -0.00 -0.41 0.00 0.00 -1.08 0.00 0.00 179.45 177.96 2wdg n ALA 66 N -2.61 1.80 0.16 3.86 0.00 -0.42 -2.49 120.51 120.80 2wdg n ALA 66 Ca -0.11 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.29 2wdg n ALA 66 Cb 0.33 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 18.71 2wdg n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdg h ALA 67 N 2.61 0.89 -0.21 0.00 0.00 -0.56 -3.11 119.26 118.88 2wdg h ALA 67 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 2wdg h ALA 67 Cb 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wdg h ALA 67 CO 0.00 0.63 -0.32 0.87 0.00 0.00 0.00 179.25 180.44 2wdg h LYS 68 N 0.00 0.59 0.00 0.00 1.57 -1.41 -3.42 116.57 113.91 2wdg h LYS 68 Ca -0.01 -0.35 -0.15 0.00 -1.87 0.00 0.00 60.65 58.27 2wdg h LYS 68 Cb 1.09 0.03 0.08 0.00 0.08 0.00 0.00 32.23 33.51 2wdg h LYS 68 CO 0.07 0.96 0.01 0.41 -0.57 0.00 0.00 179.45 180.32 2wdg n GLY 69 N 0.31 -3.00 0.86 3.86 0.00 -1.18 -4.89 105.19 101.15 2wdg n GLY 69 Ca -0.05 -1.39 0.04 0.00 0.00 0.00 0.00 46.02 44.61 2wdg n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wdg n SER 70 N -3.86 2.43 0.00 1.61 7.64 -1.26 -4.64 113.62 115.53 2wdg n SER 70 Ca 0.06 -2.20 0.00 0.00 1.01 0.00 0.00 58.87 57.73 2wdg n SER 70 Cb 0.23 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2wdg n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wdg n THR 71 N 0.37 0.00 -2.58 0.44 -1.04 -1.26 -4.93 114.28 105.28 2wdg n THR 71 Ca 0.12 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.81 2wdg n THR 71 Cb 0.47 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 2wdg n THR 71 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2wdg s LEU 72 N 0.00 3.73 0.00 -4.42 0.20 -1.20 -5.02 118.68 111.97 2wdg s LEU 72 Ca 0.00 1.48 0.00 0.00 0.69 0.00 0.00 54.13 56.30 2wdg s LEU 72 Cb 0.00 -4.39 0.00 0.00 -0.43 0.00 0.00 46.19 41.37 2wdg s LEU 72 CO 0.00 -0.50 0.00 1.57 -0.29 0.00 0.00 176.35 177.13 2wdg n HIS 73 N -1.34 0.00 0.00 5.38 -0.00 -1.26 -3.81 115.22 114.19 2wdg n HIS 73 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 2wdg n HIS 73 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 2wdg n HIS 73 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2wdg n LYS 74 N 0.00 0.00 0.00 1.57 4.76 -1.26 0.24 118.16 123.47 2wdg n LYS 74 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2wdg n LYS 74 Cb 0.00 0.00 0.44 0.00 -1.84 0.00 0.00 35.03 33.63 2wdg n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wdg n ASN 75 N -1.52 0.44 0.13 4.39 3.02 -1.26 -3.25 115.26 117.21 2wdg n ASN 75 Ca 0.00 -0.23 0.01 0.00 -0.03 0.00 0.00 54.58 54.32 2wdg n ASN 75 Cb 0.00 -0.02 0.32 0.00 -0.61 0.00 0.00 39.78 39.47 2wdg n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdg h ALA 76 N 3.24 1.32 0.14 5.41 0.00 -1.80 0.71 119.26 128.27 2wdg h ALA 76 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2wdg h ALA 76 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2wdg h ALA 76 CO 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.66 2wdg h ALA 77 N 1.54 -0.19 0.00 0.00 0.00 -0.19 -2.62 119.26 117.80 2wdg h ALA 77 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wdg h ALA 77 Cb 0.63 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2wdg h ALA 77 CO 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.90 2wdg h ALA 78 N 0.14 1.00 0.01 0.00 0.00 -1.54 -2.83 119.26 116.05 2wdg h ALA 78 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2wdg h ALA 78 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2wdg h ALA 78 CO 0.03 0.00 -0.19 -0.09 0.00 0.00 0.00 179.25 179.00 2wdg h ARG 79 N 0.00 0.03 -0.97 0.00 2.43 0.71 -1.88 114.38 114.70 2wdg h ARG 79 Ca 0.00 -0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.33 2wdg h ARG 79 Cb 0.12 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 2wdg h ARG 79 CO 0.00 1.03 0.62 0.00 -1.51 0.00 0.00 179.97 180.11 2wdg h ARG 80 N -0.93 0.52 0.30 0.20 2.47 -1.22 -2.10 114.38 113.61 2wdg h ARG 80 Ca -0.04 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 2wdg h ARG 80 Cb 1.09 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.30 2wdg h ARG 80 CO -0.00 0.34 -0.14 0.87 0.56 0.00 0.00 179.97 181.60 2wdg h LYS 81 N 0.53 -0.39 0.00 0.04 1.57 -1.62 -1.47 116.57 115.23 2wdg h LYS 81 Ca 0.54 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 2wdg h LYS 81 Cb 1.15 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2wdg h LYS 81 CO -0.28 -0.26 0.47 -1.13 -0.57 0.00 0.00 179.45 177.68 2wdg n SER 82 N -4.92 0.20 -0.05 0.86 3.41 -0.71 0.31 113.62 112.72 2wdg n SER 82 Ca -0.05 0.42 -0.03 0.00 -0.26 0.00 0.00 58.87 58.96 2wdg n SER 82 Cb 0.16 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 2wdg n SER 82 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wdg n ARG 83 N -1.90 1.62 0.00 4.33 1.74 -0.83 -4.17 116.66 117.45 2wdg n ARG 83 Ca -0.01 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2wdg n ARG 83 Cb 0.48 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 2wdg n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wdg n LEU 84 N -2.33 0.06 0.00 0.55 -0.00 0.15 -1.27 117.00 114.15 2wdg n LEU 84 Ca -0.16 0.70 0.02 0.00 -0.00 0.00 0.00 56.01 56.57 2wdg n LEU 84 Cb 0.76 -0.48 0.11 0.00 -0.00 0.00 0.00 43.42 43.81 2wdg n LEU 84 CO 0.26 -0.48 0.31 1.15 -0.00 0.00 0.00 177.39 178.63 2wdg n MET 85 N -1.95 0.15 -0.10 1.96 0.00 -0.95 -1.36 117.12 114.87 2wdg n MET 85 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.53 2wdg n MET 85 Cb 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 33.22 31.76 2wdg n MET 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2wdg n ARG 86 N -0.88 0.53 -0.09 3.17 0.63 -1.18 -3.76 116.66 115.08 2wdg n ARG 86 Ca 0.03 0.47 -0.09 0.00 -0.92 0.00 0.00 57.85 57.34 2wdg n ARG 86 Cb 0.01 -1.66 -0.02 0.00 0.45 0.00 0.00 32.46 31.24 2wdg n ARG 86 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2wdg h LYS 87 N -1.00 0.43 -0.27 -0.14 1.63 0.09 -2.90 116.57 114.41 2wdg h LYS 87 Ca -0.29 -0.05 0.06 0.00 -0.85 0.00 0.00 60.65 59.53 2wdg h LYS 87 Cb 1.12 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 32.59 2wdg h LYS 87 CO -0.17 0.38 -0.20 0.28 -3.45 0.00 0.00 179.45 176.28 2wdg h VAL 88 N 0.37 0.46 -0.14 2.00 2.07 -1.49 -0.01 116.25 119.51 2wdg h VAL 88 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.67 2wdg h VAL 88 Cb 0.08 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2wdg h VAL 88 CO -0.02 0.00 0.14 -0.09 0.02 0.00 0.00 177.57 177.62 2wdg h ARG 89 N -0.19 0.00 -1.06 1.57 2.43 -1.62 0.51 114.38 116.01 2wdg h ARG 89 Ca 0.15 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.81 2wdg h ARG 89 Cb 0.41 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 29.70 2wdg h ARG 89 CO -0.38 0.00 0.65 1.04 -1.51 0.00 0.00 179.97 179.77 2wdg n GLN 90 N -3.92 2.23 0.00 0.20 6.02 -0.03 -3.87 117.38 118.01 2wdg n GLN 90 Ca 0.00 -2.68 0.00 0.00 -0.01 0.00 0.00 57.00 54.32 2wdg n GLN 90 Cb 0.25 -2.05 0.00 0.00 1.02 0.00 0.00 30.24 29.46 2wdg n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wdg n LEU 91 N -0.76 0.00 -0.60 1.08 4.77 -0.11 -4.84 117.00 116.54 2wdg n LEU 91 Ca 0.52 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2wdg n LEU 91 Cb 1.12 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.33 2wdg n LEU 91 CO 0.59 -0.46 0.22 0.18 -1.33 0.00 0.00 177.39 176.59 2wdg n LEU 92 N -2.43 1.04 -0.17 2.23 4.77 -0.02 -1.36 117.00 121.06 2wdg n LEU 92 Ca 0.00 -0.52 0.02 0.00 -0.03 0.00 0.00 56.01 55.48 2wdg n LEU 92 Cb 0.00 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 40.76 2wdg n LEU 92 CO 0.00 0.22 0.47 -1.84 -1.33 0.00 0.00 177.39 174.91 2wdg n GLU 93 N 0.23 1.91 -1.36 3.23 0.00 -1.25 -2.98 120.64 120.43 2wdg n GLU 93 Ca 0.00 -1.37 -0.24 0.00 0.00 0.00 0.00 57.16 55.55 2wdg n GLU 93 Cb 0.22 -1.07 -0.09 0.00 0.00 0.00 0.00 31.44 30.50 2wdg n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wdg n ALA 94 N -0.09 6.52 -1.74 -1.84 0.00 -0.47 -4.54 120.51 118.36 2wdg n ALA 94 Ca 0.03 -2.75 -0.01 0.00 0.00 0.00 0.00 53.44 50.71 2wdg n ALA 94 Cb 0.24 -2.33 0.01 0.00 0.00 0.00 0.00 19.45 17.36 2wdg n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdg n ALA 95 N 1.65 -0.54 0.00 0.00 0.00 -1.26 -4.97 120.51 115.39 2wdg n ALA 95 Ca 0.50 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2wdg n ALA 95 Cb 0.63 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2wdg n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdg n GLY 96 N -1.37 0.00 2.07 0.00 0.00 -1.26 -5.10 105.19 99.54 2wdg n GLY 96 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wdg n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdg n ALA 97 N -1.96 -1.93 -0.24 4.61 0.00 -1.16 -4.38 120.51 115.45 2wdg n ALA 97 Ca 0.00 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.75 2wdg n ALA 97 Cb 0.03 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.01 2wdg n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wdg n PRO 98 N 1.73 0.21 0.00 0.00 -0.04 -1.26 -4.57 135.00 131.07 2wdg n PRO 98 Ca 0.00 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 2wdg n PRO 98 Cb 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 2wdg n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wdg n LEU 99 N 6.14 0.00 -4.52 1.53 4.77 -1.26 -4.55 117.00 119.10 2wdg n LEU 99 Ca 0.18 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.88 2wdg n LEU 99 Cb 0.14 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 2wdg n LEU 99 CO 0.73 0.00 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.70 2wdg s ILE 100 N -1.84 3.00 0.00 -0.08 1.09 -1.26 -4.99 121.20 117.12 2wdg s ILE 100 Ca 0.00 -1.57 0.00 0.00 -1.10 0.00 0.00 60.65 57.98 2wdg s ILE 100 Cb 0.00 -2.43 0.00 0.00 -1.06 0.00 0.00 42.46 38.97 2wdg s ILE 100 CO 0.00 0.01 1.76 0.61 -0.10 0.00 0.00 174.94 177.22 2wdg n GLY 101 N 0.48 2.38 3.13 6.18 0.00 -1.26 -4.91 105.19 111.19 2wdg n GLY 101 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 2wdg n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdg n GLY 102 N 1.27 -3.17 0.31 -0.02 0.00 -1.26 -4.86 105.19 97.46 2wdg n GLY 102 Ca 0.00 -1.27 0.06 0.00 0.00 0.00 0.00 46.02 44.80 2wdg n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wdg h GLY 103 N -3.18 1.39 -1.45 -0.02 0.00 -1.91 -3.43 103.07 94.47 2wdg h GLY 103 Ca -0.33 -0.30 -0.53 0.00 0.00 0.00 0.00 47.33 46.17 2wdg h GLY 103 CO 0.21 0.04 0.29 -2.27 0.00 0.00 0.00 176.54 174.82 2wdg s LEU 104 N -10.31 3.03 -0.33 3.11 0.20 -1.26 -5.02 118.68 108.10 2wdg s LEU 104 Ca -0.12 2.22 0.04 0.00 0.69 0.00 0.00 54.13 56.95 2wdg s LEU 104 Cb 0.21 -4.57 0.10 0.00 -0.43 0.00 0.00 46.19 41.49 2wdg s LEU 104 CO 0.78 -2.72 0.04 -0.94 -0.29 0.00 0.00 176.35 173.22 2wdg s SER 105 N -2.52 4.70 0.00 3.68 1.04 -1.26 -5.01 113.70 114.33 2wdg s SER 105 Ca 0.69 -2.05 0.00 0.00 0.48 0.00 0.00 55.95 55.07 2wdg s SER 105 Cb -0.25 -1.58 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2wdg s SER 105 CO 0.53 -0.36 0.29 0.00 0.98 0.00 0.00 173.24 174.68