#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdh s ASN 9 N 0.00 4.44 -0.16 0.55 0.01 -1.26 -5.13 114.94 113.39 2wdh s ASN 9 Ca 0.00 -0.34 -0.03 0.00 -0.71 0.00 0.00 52.86 51.78 2wdh s ASN 9 Cb 0.00 -0.88 -0.02 0.00 0.41 0.00 0.00 41.25 40.76 2wdh s ASN 9 CO 0.00 0.20 -0.07 -0.22 -1.51 0.00 0.00 177.10 175.50 2wdh s LEU 10 N -2.07 3.00 0.00 0.60 0.20 -1.26 -5.02 118.68 114.13 2wdh s LEU 10 Ca 0.21 -0.25 -0.02 0.00 0.69 0.00 0.00 54.13 54.76 2wdh s LEU 10 Cb -0.11 -1.72 -0.07 0.00 -0.43 0.00 0.00 46.19 43.86 2wdh s LEU 10 CO 0.13 0.12 1.99 -1.20 -0.29 0.00 0.00 176.35 177.10 2wdh n SER 11 N 3.82 4.08 -0.80 3.68 7.64 -1.26 -3.28 113.62 127.51 2wdh n SER 11 Ca -0.18 -2.14 0.11 0.00 1.01 0.00 0.00 58.87 57.67 2wdh n SER 11 Cb 0.52 -0.94 0.08 0.00 -1.01 0.00 0.00 64.21 62.86 2wdh n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wdh n ALA 12 N 1.95 2.58 0.62 -0.43 0.00 -1.26 -3.96 120.51 120.00 2wdh n ALA 12 Ca 0.11 -0.66 0.09 0.00 0.00 0.00 0.00 53.44 52.98 2wdh n ALA 12 Cb 0.49 -0.71 0.41 0.00 0.00 0.00 0.00 19.45 19.63 2wdh n ALA 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2wdh n LEU 13 N 1.04 0.10 0.11 0.00 -0.00 -1.21 -1.78 117.00 115.27 2wdh n LEU 13 Ca 0.12 0.52 0.00 0.00 -0.00 0.00 0.00 56.01 56.65 2wdh n LEU 13 Cb 0.52 -0.50 0.30 0.00 -0.00 0.00 0.00 43.42 43.74 2wdh n LEU 13 CO 0.15 -0.22 0.75 0.50 -0.00 0.00 0.00 177.39 178.57 2wdh h LYS 14 N 0.00 0.22 0.00 1.47 3.64 -1.88 0.24 116.57 120.26 2wdh h LYS 14 Ca 0.00 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2wdh h LYS 14 Cb 0.34 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2wdh h LYS 14 CO 0.00 0.50 -0.05 0.00 -2.27 0.00 0.00 179.45 177.63 2wdh h ARG 15 N 0.19 0.00 0.00 1.90 2.47 -1.65 -2.33 114.38 114.97 2wdh h ARG 15 Ca 0.03 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2wdh h ARG 15 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2wdh h ARG 15 CO 0.05 0.05 -0.00 1.25 0.56 0.00 0.00 179.97 181.87 2wdh h HIS 16 N 0.00 -0.00 -0.83 3.04 2.76 -1.10 -0.50 115.15 118.51 2wdh h HIS 16 Ca -0.00 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.36 2wdh h HIS 16 Cb 0.24 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.08 2wdh h HIS 16 CO 0.00 0.90 0.31 0.00 -1.30 0.00 0.00 177.93 177.84 2wdh h ARG 17 N -0.95 0.35 -0.26 5.26 3.08 -1.09 0.47 114.38 121.24 2wdh h ARG 17 Ca -0.00 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 2wdh h ARG 17 Cb 0.91 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.88 2wdh h ARG 17 CO 0.00 0.23 -0.57 1.96 -1.07 0.00 0.00 179.97 180.52 2wdh h GLN 18 N 0.36 0.82 -0.91 0.04 4.20 -1.50 -2.66 115.11 115.45 2wdh h GLN 18 Ca 0.50 -0.53 0.24 0.00 0.06 0.00 0.00 58.65 58.92 2wdh h GLN 18 Cb 0.90 0.07 -0.14 0.00 0.30 0.00 0.00 27.48 28.61 2wdh h GLN 18 CO -0.52 1.16 0.37 1.03 -0.67 0.00 0.00 178.83 180.21 2wdh h SER 19 N 0.62 0.25 0.20 1.46 0.87 0.16 0.52 113.55 117.63 2wdh h SER 19 Ca 0.01 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2wdh h SER 19 Cb 1.17 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2wdh h SER 19 CO 0.12 -0.08 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.18 2wdh h LEU 20 N 0.32 -0.23 -1.73 2.23 3.38 -1.01 0.50 115.31 118.78 2wdh h LEU 20 Ca 0.59 -0.28 0.23 0.00 0.09 0.00 0.00 57.88 58.52 2wdh h LEU 20 Cb 1.20 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 2wdh h LEU 20 CO -0.59 0.30 0.62 0.11 0.09 0.00 0.00 178.44 178.97 2wdh h LYS 21 N -0.91 0.21 0.08 1.13 1.57 -1.02 0.48 116.57 118.11 2wdh h LYS 21 Ca -0.03 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.49 2wdh h LYS 21 Cb 0.50 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2wdh h LYS 21 CO 0.05 0.14 -1.12 0.00 -0.57 0.00 0.00 179.45 177.94 2wdh h ARG 22 N 0.21 0.20 0.05 3.15 3.08 0.04 -2.53 114.38 118.58 2wdh h ARG 22 Ca 0.46 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wdh h ARG 22 Cb 1.44 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.60 2wdh h ARG 22 CO -0.11 1.13 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.81 2wdh h ARG 23 N 0.06 -0.06 -0.56 0.04 2.43 0.22 -3.13 114.38 113.39 2wdh h ARG 23 Ca -0.09 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2wdh h ARG 23 Cb 1.85 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.39 2wdh h ARG 23 CO 0.17 0.33 0.20 1.25 -1.51 0.00 0.00 179.97 180.41 2wdh h LEU 24 N -0.46 0.75 -0.46 3.80 7.12 -1.02 0.12 115.31 125.16 2wdh h LEU 24 Ca -0.01 -0.11 0.09 0.00 0.13 0.00 0.00 57.88 57.99 2wdh h LEU 24 Cb 0.42 -0.19 -0.10 0.00 -0.53 0.00 0.00 40.66 40.26 2wdh h LEU 24 CO 0.01 0.69 -0.26 -0.09 -0.13 0.00 0.00 178.44 178.66 2wdh h ARG 25 N 0.80 -0.16 0.00 1.25 2.43 -1.40 -2.66 114.38 114.64 2wdh h ARG 25 Ca 0.19 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2wdh h ARG 25 Cb 0.20 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2wdh h ARG 25 CO -0.01 -0.11 -1.33 0.27 -1.51 0.00 0.00 179.97 177.28 2wdh n ASN 26 N -5.41 0.52 -0.25 -3.80 2.04 -1.16 -3.66 115.26 103.54 2wdh n ASN 26 Ca 0.03 -0.28 0.06 0.00 -0.44 0.00 0.00 54.58 53.94 2wdh n ASN 26 Cb 0.33 1.20 0.30 0.00 -2.53 0.00 0.00 39.78 39.08 2wdh n ASN 26 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 2wdh h LYS 27 N 0.00 0.86 0.27 -3.83 3.11 -0.46 0.23 116.57 116.75 2wdh h LYS 27 Ca 0.00 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 2wdh h LYS 27 Cb 0.78 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 2wdh h LYS 27 CO 0.00 0.57 -0.13 0.00 -2.81 0.00 0.00 179.45 177.08 2wdh h ALA 28 N 1.56 -0.46 0.00 5.00 0.00 -1.61 -2.33 119.26 121.42 2wdh h ALA 28 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2wdh h ALA 28 Cb 0.28 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wdh h ALA 28 CO -0.14 -0.44 0.04 1.57 0.00 0.00 0.00 179.25 180.29 2wdh h LYS 29 N -0.82 0.00 0.03 0.00 2.10 -1.60 -1.20 116.57 115.08 2wdh h LYS 29 Ca -0.04 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.50 2wdh h LYS 29 Cb 0.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 2wdh h LYS 29 CO 0.06 0.00 -0.57 -0.22 -2.00 0.00 0.00 179.45 176.72 2wdh h LYS 30 N 0.00 0.06 0.00 0.07 3.11 -0.57 -3.02 116.57 116.23 2wdh h LYS 30 Ca 0.00 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.73 2wdh h LYS 30 Cb 0.09 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 2wdh h LYS 30 CO 0.00 1.05 0.00 -1.13 -2.81 0.00 0.00 179.45 176.56 2wdh n SER 31 N -4.43 0.49 -0.05 4.20 3.41 -0.65 -2.00 113.62 114.59 2wdh n SER 31 Ca -0.18 0.65 -0.16 0.00 -0.26 0.00 0.00 58.87 58.92 2wdh n SER 31 Cb 0.62 -0.74 -0.13 0.00 -0.26 0.00 0.00 64.21 63.70 2wdh n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdh h ALA 32 N 2.23 0.00 -0.71 7.33 0.00 -1.33 -3.06 119.26 123.73 2wdh h ALA 32 Ca 0.00 -0.59 0.14 0.00 0.00 0.00 0.00 54.91 54.45 2wdh h ALA 32 Cb 0.24 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.98 2wdh h ALA 32 CO 0.00 0.13 -0.24 0.82 0.00 0.00 0.00 179.25 179.97 2wdh h ILE 33 N -0.87 0.22 -0.01 0.00 1.08 -1.26 -2.47 117.51 114.20 2wdh h ILE 33 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2wdh h ILE 33 Cb 1.16 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2wdh h ILE 33 CO 0.02 0.00 -0.07 0.11 -0.69 0.00 0.00 178.15 177.51 2wdh h LYS 34 N -0.05 -0.08 -0.68 2.37 1.57 -1.55 -0.53 116.57 117.62 2wdh h LYS 34 Ca 0.32 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.24 2wdh h LYS 34 Cb 0.55 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.75 2wdh h LYS 34 CO -0.75 -0.05 -0.20 1.79 -0.57 0.00 0.00 179.45 179.67 2wdh h THR 35 N -0.08 0.28 -0.47 -0.16 1.35 -1.35 0.10 112.91 112.58 2wdh h THR 35 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.89 2wdh h THR 35 Cb 0.09 0.28 -0.04 0.00 -1.73 0.00 0.00 68.15 66.76 2wdh h THR 35 CO -0.06 0.00 0.26 -0.07 -0.25 0.00 0.00 175.52 175.40 2wdh h LEU 36 N -0.03 0.40 -1.29 3.87 -0.00 -1.31 0.90 115.31 117.86 2wdh h LEU 36 Ca 0.32 0.02 0.12 0.00 -0.00 0.00 0.00 57.88 58.33 2wdh h LEU 36 Cb 0.51 -0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.05 2wdh h LEU 36 CO -0.71 0.28 0.56 0.28 -0.00 0.00 0.00 178.44 178.85 2wdh h SER 37 N 0.51 0.68 0.07 -0.43 0.02 0.81 0.24 113.55 115.46 2wdh h SER 37 Ca 0.20 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2wdh h SER 37 Cb 0.07 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2wdh h SER 37 CO -0.12 0.38 -0.04 0.11 -1.14 0.00 0.00 176.83 176.02 2wdh h LYS 38 N 0.74 -0.09 0.00 3.45 1.57 0.05 -2.67 116.57 119.62 2wdh h LYS 38 Ca 0.42 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2wdh h LYS 38 Cb 0.58 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2wdh h LYS 38 CO -0.18 0.28 0.25 1.17 -0.57 0.00 0.00 179.45 180.41 2wdh n LYS 39 N -4.80 0.06 -0.02 3.15 4.81 0.30 0.71 118.16 122.36 2wdh n LYS 39 Ca -0.05 0.47 -0.01 0.00 -0.87 0.00 0.00 58.31 57.84 2wdh n LYS 39 Cb 0.21 -1.93 -0.00 0.00 0.02 0.00 0.00 35.03 33.32 2wdh n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wdh h ALA 40 N 1.21 0.00 -0.30 3.14 0.00 -0.50 -3.31 119.26 119.50 2wdh h ALA 40 Ca 0.00 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.72 2wdh h ALA 40 Cb 0.51 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2wdh h ALA 40 CO 0.00 0.12 0.21 -0.84 0.00 0.00 0.00 179.25 178.75 2wdh h ILE 41 N -0.29 0.85 -0.10 0.00 3.07 -1.02 -1.61 117.51 118.40 2wdh h ILE 41 Ca 0.00 0.00 0.03 0.00 1.55 0.00 0.00 64.86 66.44 2wdh h ILE 41 Cb 0.12 0.85 -0.06 0.00 -0.27 0.00 0.00 36.82 37.46 2wdh h ILE 41 CO 0.00 0.00 -0.49 -0.61 -1.05 0.00 0.00 178.15 176.00 2wdh h GLN 42 N 0.00 -0.55 0.40 0.16 5.75 0.11 0.42 115.11 121.39 2wdh h GLN 42 Ca 0.14 0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 2wdh h GLN 42 Cb 0.57 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.24 2wdh h GLN 42 CO -0.00 -0.37 -0.19 -0.07 -2.65 0.00 0.00 178.83 175.55 2wdh h LEU 43 N -0.57 -0.45 -0.90 -2.39 3.38 -1.41 -1.83 115.31 111.13 2wdh h LEU 43 Ca 0.05 -0.10 0.24 0.00 0.09 0.00 0.00 57.88 58.16 2wdh h LEU 43 Cb 0.67 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.40 2wdh h LEU 43 CO -0.40 -0.15 0.33 0.00 0.09 0.00 0.00 178.44 178.31 2wdh h ALA 44 N -0.27 1.43 -0.49 1.53 0.00 -1.16 0.87 119.26 121.17 2wdh h ALA 44 Ca -0.05 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2wdh h ALA 44 Cb 0.52 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2wdh h ALA 44 CO 0.09 -0.45 0.17 0.37 0.00 0.00 0.00 179.25 179.43 2wdh h GLN 45 N 0.28 0.76 -0.18 0.00 -0.00 -0.03 -1.64 115.11 114.30 2wdh h GLN 45 Ca 0.58 -0.15 0.00 0.00 -0.00 0.00 0.00 58.65 59.08 2wdh h GLN 45 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.56 2wdh h GLN 45 CO -0.61 0.70 0.00 -1.91 0.00 0.00 0.00 178.83 177.00 2wdh n GLU 46 N -4.52 0.47 -2.71 1.69 2.13 0.30 -4.78 120.64 113.22 2wdh n GLU 46 Ca 0.01 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.65 2wdh n GLU 46 Cb 0.18 -1.09 0.02 0.00 0.27 0.00 0.00 31.44 30.82 2wdh n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wdh n GLY 47 N 0.08 -0.36 0.00 8.31 0.00 -0.62 -5.01 105.19 107.59 2wdh n GLY 47 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2wdh n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdh n LYS 48 N -3.28 3.12 0.00 1.61 4.76 -0.87 -4.97 118.16 118.53 2wdh n LYS 48 Ca -0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 2wdh n LYS 48 Cb 0.63 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 2wdh n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdh n ALA 49 N -3.00 0.00 -0.14 7.82 0.00 -1.26 -4.88 120.51 119.05 2wdh n ALA 49 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2wdh n ALA 49 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wdh n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wdh h GLU 50 N 0.00 -0.27 -0.54 0.00 4.11 -1.97 0.46 114.58 116.38 2wdh h GLU 50 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2wdh h GLU 50 Cb 0.00 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2wdh h GLU 50 CO 0.00 -0.18 0.35 1.05 0.07 0.00 0.00 179.01 180.31 2wdh h GLU 51 N -0.28 0.72 0.00 1.06 4.11 -1.97 0.38 114.58 118.60 2wdh h GLU 51 Ca 0.16 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.55 2wdh h GLU 51 Cb 0.57 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2wdh h GLU 51 CO -0.59 0.48 0.00 0.00 0.07 0.00 0.00 179.01 178.98 2wdh n ALA 52 N -2.45 -0.26 0.08 1.06 0.00 0.14 -2.07 120.51 117.01 2wdh n ALA 52 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 2wdh n ALA 52 Cb 0.05 0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.54 2wdh n ALA 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wdh h LEU 53 N 0.00 -1.20 -0.50 0.00 3.38 -0.89 -2.23 115.31 113.87 2wdh h LEU 53 Ca 0.00 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2wdh h LEU 53 Cb 0.00 0.46 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 2wdh h LEU 53 CO 0.00 -0.46 -0.16 1.17 0.09 0.00 0.00 178.44 179.08 2wdh n LYS 54 N -5.45 -0.08 0.38 1.13 4.81 0.13 0.12 118.16 119.20 2wdh n LYS 54 Ca -0.06 0.78 -0.17 0.00 -0.87 0.00 0.00 58.31 57.99 2wdh n LYS 54 Cb 0.37 -1.16 -0.09 0.00 0.02 0.00 0.00 35.03 34.17 2wdh n LYS 54 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2wdh h ILE 55 N 0.00 0.22 -0.42 3.15 1.08 -0.82 -2.02 117.51 118.70 2wdh h ILE 55 Ca 0.21 -0.16 0.09 0.00 -0.39 0.00 0.00 64.86 64.60 2wdh h ILE 55 Cb 0.33 0.26 -0.09 0.00 -3.07 0.00 0.00 36.82 34.25 2wdh h ILE 55 CO -0.51 0.02 -0.28 -0.03 -0.69 0.00 0.00 178.15 176.66 2wdh h MET 56 N -1.09 -0.19 -0.83 2.37 1.85 0.12 0.26 114.93 117.42 2wdh h MET 56 Ca -0.10 0.01 0.20 0.00 -0.61 0.00 0.00 59.70 59.21 2wdh h MET 56 Cb 0.76 0.04 -0.12 0.00 0.43 0.00 0.00 31.60 32.71 2wdh h MET 56 CO 0.16 -0.13 0.25 -0.09 -0.40 0.00 0.00 176.91 176.71 2wdh h ARG 57 N -0.20 0.28 -0.20 0.39 2.43 0.57 0.95 114.38 118.60 2wdh h ARG 57 Ca 0.19 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2wdh h ARG 57 Cb 0.50 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2wdh h ARG 57 CO -0.53 0.18 0.03 -0.22 -1.51 0.00 0.00 179.97 177.92 2wdh h LYS 58 N 0.29 0.34 0.00 0.20 1.63 0.18 -2.85 116.57 116.36 2wdh h LYS 58 Ca 0.50 -0.10 -0.05 0.00 -0.85 0.00 0.00 60.65 60.16 2wdh h LYS 58 Cb 0.94 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 2wdh h LYS 58 CO -0.57 0.50 -0.23 0.00 -3.45 0.00 0.00 179.45 175.71 2wdh h ALA 59 N 0.82 0.96 0.00 5.00 0.00 0.41 -1.80 119.26 124.66 2wdh h ALA 59 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wdh h ALA 59 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wdh h ALA 59 CO 0.01 0.28 0.00 -1.91 0.00 0.00 0.00 179.25 177.63 2wdh n GLU 60 N -3.30 0.02 -0.03 0.00 2.13 0.32 -1.73 120.64 118.05 2wdh n GLU 60 Ca 0.01 0.38 -0.02 0.00 0.66 0.00 0.00 57.16 58.18 2wdh n GLU 60 Cb 0.48 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.68 2wdh n GLU 60 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2wdh n SER 61 N -1.44 0.57 -0.58 4.31 2.88 -0.69 -4.07 113.62 114.59 2wdh n SER 61 Ca 0.01 0.17 0.44 0.00 -1.33 0.00 0.00 58.87 58.16 2wdh n SER 61 Cb 0.05 -0.58 0.67 0.00 -0.75 0.00 0.00 64.21 63.60 2wdh n SER 61 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wdh n LEU 62 N -3.06 0.01 0.12 2.46 4.77 -0.99 0.69 117.00 121.00 2wdh n LEU 62 Ca -0.04 0.84 -0.05 0.00 -0.03 0.00 0.00 56.01 56.72 2wdh n LEU 62 Cb 0.14 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 2wdh n LEU 62 CO 0.05 -0.84 0.22 0.40 -1.33 0.00 0.00 177.39 175.90 2wdh h ILE 63 N 0.00 0.00 -0.23 -0.08 2.04 -1.54 -0.70 117.51 117.00 2wdh h ILE 63 Ca 0.78 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 66.35 2wdh h ILE 63 Cb 3.09 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2wdh h ILE 63 CO -0.03 0.00 0.25 0.44 0.00 0.00 0.00 178.15 178.81 2wdh h ASP 64 N -0.71 0.00 0.62 1.72 5.19 -0.13 0.17 116.42 123.29 2wdh h ASP 64 Ca -0.04 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 2wdh h ASP 64 Cb 0.27 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.79 2wdh h ASP 64 CO 0.06 0.00 -0.30 0.11 -3.12 0.00 0.00 179.24 175.99 2wdh h LYS 65 N 0.00 -0.81 0.00 3.56 1.79 0.31 -2.97 116.57 118.45 2wdh h LYS 65 Ca 0.11 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2wdh h LYS 65 Cb 0.61 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 2wdh h LYS 65 CO -0.00 -0.51 0.00 0.00 -1.08 0.00 0.00 179.45 177.86 2wdh n ALA 66 N -2.68 1.72 0.16 3.86 0.00 -0.27 -2.42 120.51 120.87 2wdh n ALA 66 Ca -0.11 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.30 2wdh n ALA 66 Cb 0.34 -1.25 0.21 0.00 0.00 0.00 0.00 19.45 18.75 2wdh n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdh h ALA 67 N 2.55 0.88 -0.23 0.00 0.00 -0.54 -3.12 119.26 118.80 2wdh h ALA 67 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 2wdh h ALA 67 Cb 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wdh h ALA 67 CO 0.00 0.63 -0.32 0.87 0.00 0.00 0.00 179.25 180.43 2wdh h LYS 68 N 0.00 0.62 0.00 0.00 1.57 -1.40 -3.42 116.57 113.94 2wdh h LYS 68 Ca -0.01 -0.36 -0.16 0.00 -1.87 0.00 0.00 60.65 58.25 2wdh h LYS 68 Cb 1.10 0.03 0.09 0.00 0.08 0.00 0.00 32.23 33.52 2wdh h LYS 68 CO 0.07 0.97 0.01 0.41 -0.57 0.00 0.00 179.45 180.34 2wdh n GLY 69 N 0.29 -2.95 0.83 3.86 0.00 -1.18 -4.90 105.19 101.14 2wdh n GLY 69 Ca -0.05 -1.41 0.04 0.00 0.00 0.00 0.00 46.02 44.61 2wdh n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wdh n SER 70 N -3.92 2.35 0.00 1.61 7.64 -1.26 -4.64 113.62 115.40 2wdh n SER 70 Ca 0.06 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.76 2wdh n SER 70 Cb 0.25 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2wdh n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wdh n THR 71 N 0.38 0.00 -2.66 0.44 -1.04 -1.26 -4.93 114.28 105.21 2wdh n THR 71 Ca 0.12 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.80 2wdh n THR 71 Cb 0.45 -0.02 -0.05 0.00 -1.82 0.00 0.00 70.33 68.90 2wdh n THR 71 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2wdh s LEU 72 N 0.00 3.80 0.00 -4.42 0.20 -1.21 -5.02 118.68 112.03 2wdh s LEU 72 Ca 0.00 1.54 0.00 0.00 0.69 0.00 0.00 54.13 56.36 2wdh s LEU 72 Cb 0.00 -4.42 0.00 0.00 -0.43 0.00 0.00 46.19 41.34 2wdh s LEU 72 CO 0.00 -0.45 0.00 1.57 -0.29 0.00 0.00 176.35 177.18 2wdh n HIS 73 N -1.11 0.00 0.00 5.38 -0.00 -1.26 -3.78 115.22 114.44 2wdh n HIS 73 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 2wdh n HIS 73 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 2wdh n HIS 73 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2wdh n LYS 74 N 0.00 0.00 0.00 1.57 4.76 -1.26 0.26 118.16 123.49 2wdh n LYS 74 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2wdh n LYS 74 Cb 0.00 0.00 0.50 0.00 -1.84 0.00 0.00 35.03 33.69 2wdh n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wdh n ASN 75 N -1.69 0.36 0.13 4.39 3.02 -1.26 -3.12 115.26 117.09 2wdh n ASN 75 Ca 0.00 -0.17 0.01 0.00 -0.03 0.00 0.00 54.58 54.39 2wdh n ASN 75 Cb 0.00 -0.09 0.32 0.00 -0.61 0.00 0.00 39.78 39.40 2wdh n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdh h ALA 76 N 3.25 1.33 0.15 5.41 0.00 -1.77 0.67 119.26 128.30 2wdh h ALA 76 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2wdh h ALA 76 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wdh h ALA 76 CO 0.00 0.47 -0.07 0.00 0.00 0.00 0.00 179.25 179.65 2wdh h ALA 77 N 1.54 -0.20 0.00 0.00 0.00 -0.13 -2.67 119.26 117.81 2wdh h ALA 77 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wdh h ALA 77 Cb 0.61 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2wdh h ALA 77 CO 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.90 2wdh h ALA 78 N 0.13 1.00 0.03 0.00 0.00 -1.47 -2.74 119.26 116.21 2wdh h ALA 78 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2wdh h ALA 78 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2wdh h ALA 78 CO 0.03 0.00 -0.35 -0.09 0.00 0.00 0.00 179.25 178.84 2wdh h ARG 79 N 0.00 0.05 -0.96 0.00 2.43 0.65 -1.80 114.38 114.76 2wdh h ARG 79 Ca 0.00 -0.09 0.21 0.00 -0.81 0.00 0.00 59.98 59.29 2wdh h ARG 79 Cb 0.08 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.58 2wdh h ARG 79 CO 0.00 1.04 0.62 0.00 -1.51 0.00 0.00 179.97 180.12 2wdh h ARG 80 N -0.88 0.49 0.26 0.20 2.47 -1.17 -2.01 114.38 113.74 2wdh h ARG 80 Ca -0.08 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 2wdh h ARG 80 Cb 1.17 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 2wdh h ARG 80 CO -0.00 0.33 -0.13 0.87 0.56 0.00 0.00 179.97 181.60 2wdh h LYS 81 N 0.51 -0.34 0.00 0.04 1.57 -1.61 -1.55 116.57 115.19 2wdh h LYS 81 Ca 0.52 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2wdh h LYS 81 Cb 1.16 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2wdh h LYS 81 CO -0.25 -0.22 0.46 -1.13 -0.57 0.00 0.00 179.45 177.74 2wdh n SER 82 N -5.01 0.21 -0.05 0.86 3.41 -0.68 0.32 113.62 112.69 2wdh n SER 82 Ca -0.04 0.44 -0.03 0.00 -0.26 0.00 0.00 58.87 58.98 2wdh n SER 82 Cb 0.14 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 2wdh n SER 82 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wdh n ARG 83 N -1.92 1.56 0.00 4.33 1.74 -0.80 -4.16 116.66 117.40 2wdh n ARG 83 Ca -0.01 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2wdh n ARG 83 Cb 0.47 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 2wdh n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wdh n LEU 84 N -2.32 0.02 0.00 0.55 -0.00 0.15 -1.28 117.00 114.12 2wdh n LEU 84 Ca -0.15 0.71 0.02 0.00 -0.00 0.00 0.00 56.01 56.58 2wdh n LEU 84 Cb 0.75 -0.49 0.11 0.00 -0.00 0.00 0.00 43.42 43.78 2wdh n LEU 84 CO 0.27 -0.49 0.31 1.15 -0.00 0.00 0.00 177.39 178.62 2wdh n MET 85 N -1.98 0.15 -0.11 1.96 0.00 -0.96 -1.25 117.12 114.93 2wdh n MET 85 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.51 2wdh n MET 85 Cb 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 33.22 31.75 2wdh n MET 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2wdh n ARG 86 N -0.88 0.55 -0.11 3.17 0.63 -1.19 -3.78 116.66 115.05 2wdh n ARG 86 Ca 0.03 0.46 -0.09 0.00 -0.92 0.00 0.00 57.85 57.32 2wdh n ARG 86 Cb 0.01 -1.65 -0.02 0.00 0.45 0.00 0.00 32.46 31.26 2wdh n ARG 86 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2wdh h LYS 87 N -1.00 0.49 -0.29 -0.14 1.63 0.20 -2.93 116.57 114.53 2wdh h LYS 87 Ca -0.34 -0.08 0.07 0.00 -0.85 0.00 0.00 60.65 59.44 2wdh h LYS 87 Cb 1.20 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 32.68 2wdh h LYS 87 CO -0.21 0.47 -0.16 0.28 -3.45 0.00 0.00 179.45 176.39 2wdh h VAL 88 N 0.39 0.53 -0.09 2.00 2.07 -1.45 0.01 116.25 119.70 2wdh h VAL 88 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 2wdh h VAL 88 Cb 0.16 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2wdh h VAL 88 CO -0.01 0.00 0.10 -0.09 0.02 0.00 0.00 177.57 177.59 2wdh h ARG 89 N -0.12 0.00 -1.06 1.57 2.43 -1.63 0.61 114.38 116.17 2wdh h ARG 89 Ca 0.15 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.81 2wdh h ARG 89 Cb 0.36 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 29.65 2wdh h ARG 89 CO -0.37 0.00 0.66 1.04 -1.51 0.00 0.00 179.97 179.79 2wdh n GLN 90 N -3.93 2.26 0.00 0.20 6.02 -0.02 -3.90 117.38 118.01 2wdh n GLN 90 Ca -0.01 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.27 2wdh n GLN 90 Cb 0.20 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 29.40 2wdh n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wdh n LEU 91 N -0.77 0.00 -0.66 1.08 4.77 -0.21 -4.84 117.00 116.37 2wdh n LEU 91 Ca 0.53 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2wdh n LEU 91 Cb 1.11 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.32 2wdh n LEU 91 CO 0.60 -0.46 0.25 0.18 -1.33 0.00 0.00 177.39 176.63 2wdh n LEU 92 N -2.42 1.25 -0.10 2.23 4.77 0.04 -1.48 117.00 121.27 2wdh n LEU 92 Ca 0.00 -0.62 0.01 0.00 -0.03 0.00 0.00 56.01 55.37 2wdh n LEU 92 Cb 0.00 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.73 2wdh n LEU 92 CO 0.00 0.25 0.46 -1.84 -1.33 0.00 0.00 177.39 174.93 2wdh n GLU 93 N 0.28 1.96 -1.41 3.23 0.00 -1.25 -3.03 120.64 120.42 2wdh n GLU 93 Ca 0.00 -1.33 -0.25 0.00 0.00 0.00 0.00 57.16 55.58 2wdh n GLU 93 Cb 0.25 -1.04 -0.08 0.00 0.00 0.00 0.00 31.44 30.56 2wdh n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wdh n ALA 94 N -0.20 6.55 -1.72 -1.84 0.00 -0.55 -4.54 120.51 118.21 2wdh n ALA 94 Ca 0.02 -2.86 -0.01 0.00 0.00 0.00 0.00 53.44 50.58 2wdh n ALA 94 Cb 0.22 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.33 2wdh n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdh n ALA 95 N 1.59 -0.58 0.00 0.00 0.00 -1.26 -4.97 120.51 115.28 2wdh n ALA 95 Ca 0.51 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2wdh n ALA 95 Cb 0.60 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2wdh n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdh n GLY 96 N -1.40 0.00 2.07 0.00 0.00 -1.26 -5.09 105.19 99.51 2wdh n GLY 96 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wdh n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdh n ALA 97 N -1.92 -1.95 -0.22 4.61 0.00 -1.17 -4.38 120.51 115.48 2wdh n ALA 97 Ca 0.00 0.48 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 2wdh n ALA 97 Cb 0.01 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 2wdh n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wdh n PRO 98 N 1.69 0.21 0.00 0.00 -0.04 -1.26 -4.57 135.00 131.02 2wdh n PRO 98 Ca 0.00 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 2wdh n PRO 98 Cb 0.00 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 2wdh n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wdh n LEU 99 N 6.05 0.00 -4.53 1.53 4.77 -1.26 -4.55 117.00 119.01 2wdh n LEU 99 Ca 0.17 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.87 2wdh n LEU 99 Cb 0.13 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 2wdh n LEU 99 CO 0.71 0.00 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.70 2wdh s ILE 100 N -1.83 3.05 -0.01 -0.08 1.09 -1.26 -5.00 121.20 117.17 2wdh s ILE 100 Ca 0.00 -1.56 -0.00 0.00 -1.10 0.00 0.00 60.65 57.99 2wdh s ILE 100 Cb 0.00 -2.46 0.01 0.00 -1.06 0.00 0.00 42.46 38.95 2wdh s ILE 100 CO 0.00 0.00 1.76 0.61 -0.10 0.00 0.00 174.94 177.21 2wdh n GLY 101 N 0.43 2.41 3.13 6.18 0.00 -1.26 -4.91 105.19 111.17 2wdh n GLY 101 Ca -0.13 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 2wdh n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdh n GLY 102 N 1.23 -3.18 0.31 -0.02 0.00 -1.26 -4.86 105.19 97.41 2wdh n GLY 102 Ca 0.01 -1.27 0.06 0.00 0.00 0.00 0.00 46.02 44.81 2wdh n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wdh h GLY 103 N -3.19 1.39 -1.43 -0.02 0.00 -1.91 -3.43 103.07 94.47 2wdh h GLY 103 Ca -0.33 -0.30 -0.52 0.00 0.00 0.00 0.00 47.33 46.18 2wdh h GLY 103 CO 0.20 0.05 0.29 -2.27 0.00 0.00 0.00 176.54 174.81 2wdh s LEU 104 N -10.31 3.01 -0.33 3.11 0.20 -1.26 -5.02 118.68 108.09 2wdh s LEU 104 Ca -0.12 2.21 0.04 0.00 0.69 0.00 0.00 54.13 56.94 2wdh s LEU 104 Cb 0.21 -4.57 0.09 0.00 -0.43 0.00 0.00 46.19 41.49 2wdh s LEU 104 CO 0.78 -2.73 0.03 -0.94 -0.29 0.00 0.00 176.35 173.20 2wdh s SER 105 N -2.55 4.67 0.00 3.68 1.04 -1.26 -5.01 113.70 114.27 2wdh s SER 105 Ca 0.69 -2.02 0.00 0.00 0.48 0.00 0.00 55.95 55.10 2wdh s SER 105 Cb -0.24 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.31 2wdh s SER 105 CO 0.54 -0.36 0.28 0.00 0.98 0.00 0.00 173.24 174.68