#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk n ASN 9 N 0.00 -6.01 -3.81 0.55 3.02 -1.26 -5.04 115.26 102.71 2wdk n ASN 9 Ca 0.00 1.25 -0.26 0.00 -0.03 0.00 0.00 54.58 55.54 2wdk n ASN 9 Cb 0.00 -3.85 -0.17 0.00 -0.61 0.00 0.00 39.78 35.16 2wdk n ASN 9 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wdk s LEU 10 N -1.60 1.16 0.00 3.41 2.96 -1.26 -5.02 118.68 118.34 2wdk s LEU 10 Ca 0.00 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 2wdk s LEU 10 Cb 0.00 -0.68 0.00 0.00 0.50 0.00 0.00 46.19 46.01 2wdk s LEU 10 CO 0.00 -0.22 0.37 -1.20 -1.32 0.00 0.00 176.35 173.99 2wdk n SER 11 N 5.01 1.12 0.01 3.68 7.64 -1.26 -1.94 113.62 127.89 2wdk n SER 11 Ca -0.10 -0.75 0.11 0.00 1.01 0.00 0.00 58.87 59.14 2wdk n SER 11 Cb 0.48 -0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 2wdk n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wdk n ALA 12 N 0.82 3.60 0.26 -0.43 0.00 -1.26 -3.70 120.51 119.79 2wdk n ALA 12 Ca 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 53.44 53.01 2wdk n ALA 12 Cb 0.19 -0.90 0.16 0.00 0.00 0.00 0.00 19.45 18.90 2wdk n ALA 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2wdk n LEU 13 N -1.91 0.00 0.18 0.00 -0.00 -0.82 -0.46 117.00 114.00 2wdk n LEU 13 Ca 0.01 0.50 0.05 0.00 -0.00 0.00 0.00 56.01 56.57 2wdk n LEU 13 Cb 0.43 -0.50 0.48 0.00 -0.00 0.00 0.00 43.42 43.84 2wdk n LEU 13 CO 0.42 -0.37 0.94 0.50 -0.00 0.00 0.00 177.39 178.87 2wdk h LYS 14 N 0.00 0.11 -0.13 1.47 3.64 -1.82 0.12 116.57 119.95 2wdk h LYS 14 Ca 0.00 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2wdk h LYS 14 Cb 0.13 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2wdk h LYS 14 CO 0.00 0.23 -0.26 0.00 -2.27 0.00 0.00 179.45 177.14 2wdk h ARG 15 N 0.10 0.24 0.57 1.90 2.47 -1.04 -2.73 114.38 115.89 2wdk h ARG 15 Ca 0.02 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 2wdk h ARG 15 Cb 0.27 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2wdk h ARG 15 CO 0.02 0.49 -0.27 1.25 0.56 0.00 0.00 179.97 182.01 2wdk h HIS 16 N 0.21 -0.71 -0.82 3.04 2.76 -1.11 -1.35 115.15 117.18 2wdk h HIS 16 Ca 0.03 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.35 2wdk h HIS 16 Cb 0.59 0.23 -0.15 0.00 1.55 0.00 0.00 27.41 29.63 2wdk h HIS 16 CO 0.01 -0.39 -0.22 0.00 -1.30 0.00 0.00 177.93 176.03 2wdk h ARG 17 N -1.11 -0.01 0.57 5.26 3.08 -1.41 0.17 114.38 120.93 2wdk h ARG 17 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2wdk h ARG 17 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 2wdk h ARG 17 CO 0.13 -0.01 -0.51 1.96 -1.07 0.00 0.00 179.97 180.48 2wdk h GLN 18 N -0.01 -1.02 -0.77 0.04 4.20 -1.50 -2.31 115.11 113.76 2wdk h GLN 18 Ca 0.38 0.07 0.17 0.00 0.06 0.00 0.00 58.65 59.33 2wdk h GLN 18 Cb 0.60 0.23 -0.14 0.00 0.30 0.00 0.00 27.48 28.46 2wdk h GLN 18 CO -0.84 -0.68 -0.14 0.45 -0.67 0.00 0.00 178.83 176.95 2wdk n SER 19 N -5.54 -0.23 0.07 1.46 2.88 0.43 0.11 113.62 112.79 2wdk n SER 19 Ca -0.13 1.31 -0.12 0.00 -1.33 0.00 0.00 58.87 58.61 2wdk n SER 19 Cb 0.47 -0.42 -0.06 0.00 -0.75 0.00 0.00 64.21 63.46 2wdk n SER 19 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2wdk h LEU 20 N 0.00 -0.25 -1.87 2.46 3.38 -0.52 0.80 115.31 119.31 2wdk h LEU 20 Ca 0.39 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2wdk h LEU 20 Cb 0.65 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2wdk h LEU 20 CO -0.77 -0.14 0.09 0.11 0.09 0.00 0.00 178.44 177.82 2wdk h LYS 21 N -0.18 0.17 0.25 1.13 1.57 0.11 -0.48 116.57 119.15 2wdk h LYS 21 Ca 0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2wdk h LYS 21 Cb 0.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2wdk h LYS 21 CO -0.07 0.12 -0.12 0.00 -0.57 0.00 0.00 179.45 178.81 2wdk h ARG 22 N 0.18 -0.32 -0.98 3.15 3.08 0.92 -2.14 114.38 118.26 2wdk h ARG 22 Ca 0.05 0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.31 2wdk h ARG 22 Cb -0.02 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.01 2wdk h ARG 22 CO -0.01 0.02 0.61 -0.09 -1.07 0.00 0.00 179.97 179.44 2wdk h ARG 23 N -0.94 0.69 -0.17 0.04 2.43 0.83 -0.97 114.38 116.29 2wdk h ARG 23 Ca -0.03 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2wdk h ARG 23 Cb 0.49 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2wdk h ARG 23 CO 0.06 0.46 0.09 1.25 -1.51 0.00 0.00 179.97 180.31 2wdk h LEU 24 N 0.71 0.22 0.27 3.80 7.12 -1.09 -2.22 115.31 124.12 2wdk h LEU 24 Ca 0.55 -0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.44 2wdk h LEU 24 Cb 0.92 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 2wdk h LEU 24 CO -0.32 0.26 -0.13 -0.09 -0.13 0.00 0.00 178.44 178.03 2wdk h ARG 25 N 0.16 -0.35 0.00 1.25 2.43 -0.49 -2.86 114.38 114.53 2wdk h ARG 25 Ca 0.06 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2wdk h ARG 25 Cb 0.09 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2wdk h ARG 25 CO -0.01 -0.18 0.00 -2.95 -1.51 0.00 0.00 179.97 175.33 2wdk h ASN 26 N -0.43 0.00 -0.12 -3.80 -0.00 -1.51 -2.26 115.58 107.45 2wdk h ASN 26 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.16 2wdk h ASN 26 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.64 2wdk h ASN 26 CO 0.06 0.00 -0.27 0.50 -0.00 0.00 0.00 177.43 177.72 2wdk h LYS 27 N 0.00 0.58 0.00 4.14 3.11 -1.31 -2.19 116.57 120.90 2wdk h LYS 27 Ca 0.00 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 2wdk h LYS 27 Cb 0.67 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 2wdk h LYS 27 CO 0.00 0.80 0.00 0.00 -2.81 0.00 0.00 179.45 177.44 2wdk n ALA 28 N -2.49 -0.03 0.13 5.00 0.00 -0.87 -0.84 120.51 121.41 2wdk n ALA 28 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2wdk n ALA 28 Cb 0.43 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.08 2wdk n ALA 28 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wdk n LYS 29 N -0.61 0.05 -0.05 0.00 2.85 -1.09 -1.03 118.16 118.29 2wdk n LYS 29 Ca 0.00 0.47 -0.02 0.00 -1.05 0.00 0.00 58.31 57.71 2wdk n LYS 29 Cb 0.00 -2.09 -0.01 0.00 -0.65 0.00 0.00 35.03 32.28 2wdk n LYS 29 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2wdk h LYS 30 N 0.00 0.00 -0.26 -1.58 3.11 -1.30 -2.82 116.57 113.72 2wdk h LYS 30 Ca 0.00 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.92 2wdk h LYS 30 Cb 0.85 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.07 2wdk h LYS 30 CO 0.00 0.00 0.37 0.66 -2.81 0.00 0.00 179.45 177.67 2wdk h SER 31 N -0.90 0.00 0.33 4.20 4.64 0.74 0.83 113.55 123.39 2wdk h SER 31 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2wdk h SER 31 Cb 0.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2wdk h SER 31 CO 0.00 0.00 -1.00 0.00 -0.87 0.00 0.00 176.83 174.96 2wdk h ALA 32 N 1.50 0.29 -0.64 5.18 0.00 -1.38 -1.19 119.26 123.03 2wdk h ALA 32 Ca 0.12 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2wdk h ALA 32 Cb 0.87 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2wdk h ALA 32 CO -0.00 0.81 0.41 0.82 0.00 0.00 0.00 179.25 181.30 2wdk h ILE 33 N 0.23 1.17 0.36 0.00 1.08 0.92 -0.81 117.51 120.46 2wdk h ILE 33 Ca -0.10 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 64.03 2wdk h ILE 33 Cb 1.65 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 2wdk h ILE 33 CO 0.18 0.17 -0.17 0.11 -0.69 0.00 0.00 178.15 177.74 2wdk h LYS 34 N 0.87 -0.46 -0.54 2.37 1.57 -1.15 -2.09 116.57 117.14 2wdk h LYS 34 Ca 0.23 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.20 2wdk h LYS 34 Cb -0.08 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2wdk h LYS 34 CO -0.05 -0.31 0.44 1.79 -0.57 0.00 0.00 179.45 180.75 2wdk h THR 35 N -0.52 0.57 0.00 -0.16 1.35 -1.22 0.79 112.91 113.72 2wdk h THR 35 Ca -0.05 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.73 2wdk h THR 35 Cb 0.37 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 2wdk h THR 35 CO 0.08 0.00 -0.39 0.25 -0.25 0.00 0.00 175.52 175.21 2wdk h LEU 36 N 0.00 0.00 0.00 3.87 7.12 -1.02 -1.21 115.31 124.08 2wdk h LEU 36 Ca 0.26 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 58.15 2wdk h LEU 36 Cb 1.13 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.25 2wdk h LEU 36 CO -0.00 0.39 -0.62 0.28 -0.13 0.00 0.00 178.44 178.36 2wdk h SER 37 N 0.00 0.01 -0.92 1.25 0.02 0.11 -2.03 113.55 112.00 2wdk h SER 37 Ca -0.00 -0.77 0.26 0.00 -0.84 0.00 0.00 61.79 60.43 2wdk h SER 37 Cb 0.99 -0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.39 2wdk h SER 37 CO 0.05 1.24 0.37 0.11 -1.14 0.00 0.00 176.83 177.47 2wdk h LYS 38 N -0.97 0.29 0.12 3.45 1.57 -0.46 0.24 116.57 120.80 2wdk h LYS 38 Ca -0.17 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2wdk h LYS 38 Cb 1.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2wdk h LYS 38 CO -0.09 0.19 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.70 2wdk h LYS 39 N 0.29 -0.16 0.03 3.15 3.64 -1.30 -2.63 116.57 119.59 2wdk h LYS 39 Ca 0.61 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 60.03 2wdk h LYS 39 Cb 1.26 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.07 2wdk h LYS 39 CO -0.61 0.27 -0.27 0.00 -2.27 0.00 0.00 179.45 176.57 2wdk h ALA 40 N 0.10 -0.39 -0.74 5.00 0.00 -0.18 -2.73 119.26 120.32 2wdk h ALA 40 Ca -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wdk h ALA 40 Cb 0.50 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2wdk h ALA 40 CO 0.03 -0.78 0.49 -0.84 0.00 0.00 0.00 179.25 178.15 2wdk h ILE 41 N -0.43 1.19 -1.06 0.00 3.07 -0.76 -2.39 117.51 117.13 2wdk h ILE 41 Ca 0.05 -0.36 0.29 0.00 1.55 0.00 0.00 64.86 66.40 2wdk h ILE 41 Cb 0.50 0.10 -0.07 0.00 -0.27 0.00 0.00 36.82 37.09 2wdk h ILE 41 CO -0.21 0.19 0.73 -0.61 -1.05 0.00 0.00 178.15 177.19 2wdk h GLN 42 N 1.01 0.17 0.00 0.16 5.75 -1.15 0.15 115.11 121.21 2wdk h GLN 42 Ca 0.27 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.76 2wdk h GLN 42 Cb -0.11 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.40 2wdk h GLN 42 CO -0.06 0.12 -0.00 -0.07 -2.65 0.00 0.00 178.83 176.17 2wdk h LEU 43 N 0.18 -0.00 -1.63 -2.39 3.38 -1.36 -0.46 115.31 113.03 2wdk h LEU 43 Ca 0.55 -0.46 0.23 0.00 0.09 0.00 0.00 57.88 58.28 2wdk h LEU 43 Cb 1.80 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.49 2wdk h LEU 43 CO -0.13 0.73 0.62 0.00 0.09 0.00 0.00 178.44 179.75 2wdk h ALA 44 N -0.53 2.40 0.35 1.53 0.00 -1.24 0.45 119.26 122.22 2wdk h ALA 44 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2wdk h ALA 44 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wdk h ALA 44 CO 0.00 -0.70 -0.17 0.37 0.00 0.00 0.00 179.25 178.76 2wdk h GLN 45 N 0.29 -0.46 -0.04 0.00 -0.00 -0.78 -2.85 115.11 111.27 2wdk h GLN 45 Ca 0.48 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 59.16 2wdk h GLN 45 Cb 1.39 0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.97 2wdk h GLN 45 CO -0.15 -0.30 0.00 -1.91 0.00 0.00 0.00 178.83 176.47 2wdk n GLU 46 N -4.75 0.17 -2.85 1.69 2.13 -0.18 -4.81 120.64 112.04 2wdk n GLU 46 Ca -0.06 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.76 2wdk n GLU 46 Cb 0.19 -1.02 -0.00 0.00 0.27 0.00 0.00 31.44 30.87 2wdk n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wdk n GLY 47 N -0.13 -3.11 0.00 8.31 0.00 0.15 -4.98 105.19 105.41 2wdk n GLY 47 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2wdk n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdk n LYS 48 N 0.98 3.32 0.00 1.61 4.76 -0.43 -4.94 118.16 123.46 2wdk n LYS 48 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2wdk n LYS 48 Cb 0.18 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 2wdk n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdk n ALA 49 N -3.00 0.00 0.04 7.82 0.00 -1.26 -4.91 120.51 119.19 2wdk n ALA 49 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2wdk n ALA 49 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2wdk n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wdk h GLU 50 N 0.00 -0.09 -0.86 0.00 4.11 -1.96 -2.64 114.58 113.15 2wdk h GLU 50 Ca 0.00 0.01 0.15 0.00 0.07 0.00 0.00 59.36 59.59 2wdk h GLU 50 Cb 0.00 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 2wdk h GLU 50 CO 0.00 0.23 0.44 1.05 0.07 0.00 0.00 179.01 180.80 2wdk h GLU 51 N -0.40 0.60 -0.99 1.06 4.11 -1.97 2.62 114.58 119.62 2wdk h GLU 51 Ca -0.01 -0.04 0.17 0.00 0.07 0.00 0.00 59.36 59.56 2wdk h GLU 51 Cb 0.35 -0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 2wdk h GLU 51 CO 0.01 0.40 0.61 0.00 0.07 0.00 0.00 179.01 180.11 2wdk h ALA 52 N 1.57 1.71 0.02 1.06 0.00 -1.81 -0.96 119.26 120.86 2wdk h ALA 52 Ca 0.47 0.06 -0.25 0.00 0.00 0.00 0.00 54.91 55.18 2wdk h ALA 52 Cb 0.68 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2wdk h ALA 52 CO -0.37 -0.04 -1.39 1.28 0.00 0.00 0.00 179.25 178.73 2wdk n LEU 53 N -4.69 1.96 -0.34 0.00 4.77 0.23 -3.32 117.00 115.60 2wdk n LEU 53 Ca 0.22 0.39 0.23 0.00 -0.03 0.00 0.00 56.01 56.82 2wdk n LEU 53 Cb 0.54 -0.98 0.47 0.00 -2.33 0.00 0.00 43.42 41.11 2wdk n LEU 53 CO 0.24 0.35 1.13 0.50 -1.33 0.00 0.00 177.39 178.28 2wdk h LYS 54 N -0.87 0.34 0.47 3.23 3.64 0.44 0.42 116.57 124.24 2wdk h LYS 54 Ca -0.37 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 2wdk h LYS 54 Cb 1.40 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2wdk h LYS 54 CO -0.18 0.23 -0.23 0.82 -2.27 0.00 0.00 179.45 177.82 2wdk h ILE 55 N 0.36 0.00 -0.86 2.00 1.08 -1.34 -1.81 117.51 116.93 2wdk h ILE 55 Ca 0.72 -0.36 0.12 0.00 -0.39 0.00 0.00 64.86 64.96 2wdk h ILE 55 Cb 1.63 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.25 2wdk h ILE 55 CO -0.58 0.00 -0.44 -0.03 -0.69 0.00 0.00 178.15 176.41 2wdk h MET 56 N -0.99 -0.07 -0.78 2.37 4.05 -1.17 0.72 114.93 119.06 2wdk h MET 56 Ca -0.06 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.49 2wdk h MET 56 Cb 0.49 0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 31.21 2wdk h MET 56 CO 0.11 -0.04 0.38 -0.09 0.23 0.00 0.00 176.91 177.49 2wdk h ARG 57 N -0.07 0.56 -0.03 0.39 2.43 -0.29 0.39 114.38 117.76 2wdk h ARG 57 Ca 0.26 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 2wdk h ARG 57 Cb 0.55 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2wdk h ARG 57 CO -0.88 0.37 -0.38 -0.22 -1.51 0.00 0.00 179.97 177.35 2wdk h LYS 58 N 0.58 0.06 -0.07 0.20 1.63 0.90 -2.37 116.57 117.49 2wdk h LYS 58 Ca 0.41 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.17 2wdk h LYS 58 Cb 0.54 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2wdk h LYS 58 CO -0.34 0.43 -0.01 0.00 -3.45 0.00 0.00 179.45 176.08 2wdk h ALA 59 N 1.57 0.10 -0.80 5.00 0.00 0.39 -2.72 119.26 122.80 2wdk h ALA 59 Ca 0.00 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.86 2wdk h ALA 59 Cb 0.70 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 2wdk h ALA 59 CO 0.05 -0.19 0.37 1.49 0.00 0.00 0.00 179.25 180.96 2wdk h GLU 60 N -0.20 0.50 0.67 0.00 4.81 -0.15 -0.51 114.58 119.70 2wdk h GLU 60 Ca 0.02 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2wdk h GLU 60 Cb 0.40 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2wdk h GLU 60 CO 0.01 0.33 -0.44 1.03 -0.73 0.00 0.00 179.01 179.21 2wdk h SER 61 N 0.52 -1.13 -0.88 1.04 0.87 -1.29 -2.26 113.55 110.41 2wdk h SER 61 Ca 0.44 0.07 0.18 0.00 -1.23 0.00 0.00 61.79 61.25 2wdk h SER 61 Cb 0.66 0.34 -0.11 0.00 -0.44 0.00 0.00 62.40 62.85 2wdk h SER 61 CO -0.39 -0.67 0.45 -0.07 -0.53 0.00 0.00 176.83 175.62 2wdk h LEU 62 N -1.05 0.50 0.27 2.23 3.38 -1.02 0.14 115.31 119.75 2wdk h LEU 62 Ca -0.08 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2wdk h LEU 62 Cb 0.86 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2wdk h LEU 62 CO 0.07 0.15 -0.14 0.40 0.09 0.00 0.00 178.44 179.01 2wdk h ILE 63 N 0.57 0.00 -0.68 1.22 2.04 -0.92 -2.13 117.51 117.60 2wdk h ILE 63 Ca 0.51 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.51 2wdk h ILE 63 Cb 0.82 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.78 2wdk h ILE 63 CO -0.42 0.00 -0.08 0.44 0.00 0.00 0.00 178.15 178.09 2wdk h ASP 64 N -0.37 -0.47 -1.11 1.72 5.19 -1.17 0.69 116.42 120.91 2wdk h ASP 64 Ca -0.04 0.19 0.31 0.00 -0.62 0.00 0.00 57.03 56.87 2wdk h ASP 64 Cb 0.29 0.36 -0.10 0.00 0.18 0.00 0.00 39.33 40.06 2wdk h ASP 64 CO 0.05 -0.19 0.72 0.11 -3.12 0.00 0.00 179.24 176.81 2wdk h LYS 65 N 0.05 0.30 0.00 3.56 1.79 -0.64 0.41 116.57 122.03 2wdk h LYS 65 Ca 0.35 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.69 2wdk h LYS 65 Cb 0.57 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 2wdk h LYS 65 CO -0.65 0.20 -0.55 0.00 -1.08 0.00 0.00 179.45 177.36 2wdk h ALA 66 N 1.61 0.92 0.00 3.86 0.00 0.11 -2.95 119.26 122.80 2wdk h ALA 66 Ca 0.65 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2wdk h ALA 66 Cb 1.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2wdk h ALA 66 CO -0.32 0.69 -0.26 0.00 0.00 0.00 0.00 179.25 179.36 2wdk h ALA 67 N 1.45 1.11 -0.80 0.00 0.00 0.16 -2.69 119.26 118.50 2wdk h ALA 67 Ca -0.01 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2wdk h ALA 67 Cb 1.09 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2wdk h ALA 67 CO 0.07 0.33 0.50 0.87 0.00 0.00 0.00 179.25 181.02 2wdk h LYS 68 N 0.00 0.94 0.00 0.00 1.57 -1.32 -3.44 116.57 114.32 2wdk h LYS 68 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2wdk h LYS 68 Cb 0.68 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2wdk h LYS 68 CO 0.03 0.62 0.00 0.41 -0.57 0.00 0.00 179.45 179.94 2wdk n GLY 69 N -1.32 0.28 1.27 3.86 0.00 -1.01 -4.99 105.19 103.28 2wdk n GLY 69 Ca 0.10 -1.80 0.09 0.00 0.00 0.00 0.00 46.02 44.41 2wdk n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wdk n SER 70 N -0.31 3.72 0.00 1.61 7.64 -1.26 -4.79 113.62 120.23 2wdk n SER 70 Ca 0.00 -2.20 0.00 0.00 1.01 0.00 0.00 58.87 57.68 2wdk n SER 70 Cb 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2wdk n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wdk n THR 71 N 1.10 0.00 -0.99 0.44 -1.04 -1.25 -4.94 114.28 107.59 2wdk n THR 71 Ca 0.21 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.92 2wdk n THR 71 Cb 0.65 -0.00 0.15 0.00 -1.82 0.00 0.00 70.33 69.31 2wdk n THR 71 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wdk s LEU 72 N 0.00 2.41 0.00 -4.42 1.43 -1.25 -4.98 118.68 111.87 2wdk s LEU 72 Ca 0.00 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 2wdk s LEU 72 Cb 0.00 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 42.05 2wdk s LEU 72 CO 0.00 -2.83 0.00 1.57 0.23 0.00 0.00 176.35 175.32 2wdk n HIS 73 N -4.03 0.00 -0.90 0.29 -0.00 -1.26 -3.76 115.22 105.56 2wdk n HIS 73 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2wdk n HIS 73 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 2wdk n HIS 73 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2wdk n LYS 74 N 0.00 0.00 -0.12 1.57 4.76 -1.26 -0.41 118.16 122.69 2wdk n LYS 74 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 2wdk n LYS 74 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 2wdk n LYS 74 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2wdk h ASN 75 N 1.72 1.00 -0.92 4.39 2.35 -2.00 -3.17 115.58 118.96 2wdk h ASN 75 Ca 0.00 -0.45 0.26 0.00 -0.55 0.00 0.00 56.30 55.56 2wdk h ASN 75 Cb 0.00 -0.28 -0.15 0.00 0.05 0.00 0.00 38.32 37.94 2wdk h ASN 75 CO 0.00 1.25 0.33 0.00 -1.65 0.00 0.00 177.43 177.35 2wdk h ALA 76 N 0.80 1.47 -0.91 -0.83 0.00 -1.89 2.06 119.26 119.96 2wdk h ALA 76 Ca 0.07 0.22 0.20 0.00 0.00 0.00 0.00 54.91 55.40 2wdk h ALA 76 Cb 0.96 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 2wdk h ALA 76 CO 0.09 -0.50 0.60 0.00 0.00 0.00 0.00 179.25 179.44 2wdk h ALA 77 N 1.81 2.18 0.03 0.00 0.00 -0.70 0.11 119.26 122.69 2wdk h ALA 77 Ca 0.61 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 55.25 2wdk h ALA 77 Cb 1.28 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2wdk h ALA 77 CO -0.65 -0.47 -1.62 0.00 0.00 0.00 0.00 179.25 176.51 2wdk h ALA 78 N 1.61 0.60 -0.73 0.00 0.00 0.28 -3.33 119.26 117.69 2wdk h ALA 78 Ca 0.48 -1.33 0.08 0.00 0.00 0.00 0.00 54.91 54.14 2wdk h ALA 78 Cb 1.16 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 2wdk h ALA 78 CO -0.19 1.44 0.48 -0.09 0.00 0.00 0.00 179.25 180.89 2wdk h ARG 79 N 0.02 0.66 0.23 0.00 2.43 0.27 1.09 114.38 119.07 2wdk h ARG 79 Ca -0.26 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 2wdk h ARG 79 Cb 1.98 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.39 2wdk h ARG 79 CO 0.10 0.43 -0.11 0.00 -1.51 0.00 0.00 179.97 178.88 2wdk h ARG 80 N 0.67 -0.29 0.82 0.20 2.47 -1.31 -1.33 114.38 115.61 2wdk h ARG 80 Ca 0.33 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.03 2wdk h ARG 80 Cb 0.40 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.79 2wdk h ARG 80 CO -0.11 -0.02 -0.40 0.87 0.56 0.00 0.00 179.97 180.86 2wdk h LYS 81 N -0.55 -1.07 -0.17 0.04 1.57 -1.43 1.29 116.57 116.26 2wdk h LYS 81 Ca -0.03 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2wdk h LYS 81 Cb 0.40 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2wdk h LYS 81 CO 0.05 -0.70 0.58 0.66 -0.57 0.00 0.00 179.45 179.47 2wdk h SER 82 N -1.21 0.00 0.00 0.86 4.64 0.11 -1.25 113.55 116.71 2wdk h SER 82 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2wdk h SER 82 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2wdk h SER 82 CO 0.19 0.00 -0.70 0.54 -0.87 0.00 0.00 176.83 175.99 2wdk n ARG 83 N -2.99 0.39 -0.07 4.77 1.74 -0.50 -3.88 116.66 116.12 2wdk n ARG 83 Ca 0.02 0.20 -0.03 0.00 -0.77 0.00 0.00 57.85 57.27 2wdk n ARG 83 Cb 0.66 -1.23 -0.02 0.00 -1.02 0.00 0.00 32.46 30.85 2wdk n ARG 83 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2wdk h LEU 84 N -0.75 -0.50 -1.36 0.55 7.12 0.21 0.56 115.31 121.14 2wdk h LEU 84 Ca 0.00 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.06 2wdk h LEU 84 Cb 0.70 0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 41.02 2wdk h LEU 84 CO 0.00 -0.08 0.18 0.00 -0.13 0.00 0.00 178.44 178.42 2wdk h MET 85 N -0.05 0.62 -0.85 1.25 -0.00 -1.44 -1.52 114.93 112.93 2wdk h MET 85 Ca 0.03 -0.08 0.07 0.00 -0.00 0.00 0.00 59.70 59.72 2wdk h MET 85 Cb 0.12 -0.12 -0.06 0.00 -0.00 0.00 0.00 31.60 31.55 2wdk h MET 85 CO -0.19 0.51 0.55 -0.09 -0.00 0.00 0.00 176.91 177.69 2wdk h ARG 86 N 0.62 0.90 -0.10 -0.10 2.43 -1.34 -2.31 114.38 114.49 2wdk h ARG 86 Ca 0.15 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 2wdk h ARG 86 Cb 0.11 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2wdk h ARG 86 CO -0.02 0.60 -0.28 -0.22 -1.51 0.00 0.00 179.97 178.55 2wdk h LYS 87 N 0.93 0.36 -0.74 0.20 1.63 0.05 -3.13 116.57 115.88 2wdk h LYS 87 Ca 0.37 -0.26 0.15 0.00 -0.85 0.00 0.00 60.65 60.06 2wdk h LYS 87 Cb 0.24 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 31.81 2wdk h LYS 87 CO -0.14 0.87 0.23 0.28 -3.45 0.00 0.00 179.45 177.25 2wdk h VAL 88 N -0.09 0.58 -0.95 2.00 2.07 -0.86 0.14 116.25 119.15 2wdk h VAL 88 Ca -0.01 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2wdk h VAL 88 Cb 0.89 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2wdk h VAL 88 CO 0.06 0.06 0.58 -0.09 0.02 0.00 0.00 177.57 178.20 2wdk h ARG 89 N 0.34 1.28 -1.66 1.57 2.43 -1.50 0.48 114.38 117.33 2wdk h ARG 89 Ca 0.41 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 59.32 2wdk h ARG 89 Cb 0.67 -0.27 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 2wdk h ARG 89 CO -0.46 0.89 0.20 1.04 -1.51 0.00 0.00 179.97 180.13 2wdk n GLN 90 N -4.36 1.38 0.00 0.20 6.02 0.46 -2.46 117.38 118.61 2wdk n GLN 90 Ca 0.11 -0.75 0.00 0.00 -0.01 0.00 0.00 57.00 56.35 2wdk n GLN 90 Cb 0.05 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.02 2wdk n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wdk n LEU 91 N 0.83 0.00 0.00 1.08 4.77 -0.80 -4.80 117.00 118.08 2wdk n LEU 91 Ca 0.14 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 2wdk n LEU 91 Cb 0.57 0.13 0.57 0.00 -2.33 0.00 0.00 43.42 42.36 2wdk n LEU 91 CO 0.18 -0.25 0.84 0.18 -1.33 0.00 0.00 177.39 177.01 2wdk n LEU 92 N -2.00 0.00 -0.30 2.23 4.77 0.09 -1.41 117.00 120.38 2wdk n LEU 92 Ca 0.00 0.21 0.14 0.00 -0.03 0.00 0.00 56.01 56.33 2wdk n LEU 92 Cb 0.00 -0.21 0.49 0.00 -2.33 0.00 0.00 43.42 41.37 2wdk n LEU 92 CO 0.00 -0.06 0.78 -1.84 -1.33 0.00 0.00 177.39 174.94 2wdk n GLU 93 N -1.21 1.12 -1.32 3.23 0.00 -1.03 -2.04 120.64 119.40 2wdk n GLU 93 Ca 0.12 -0.60 -0.29 0.00 0.00 0.00 0.00 57.16 56.38 2wdk n GLU 93 Cb 0.14 -1.49 -0.08 0.00 0.00 0.00 0.00 31.44 30.02 2wdk n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wdk n ALA 94 N -0.41 6.98 -1.92 -1.84 0.00 -0.50 -4.59 120.51 118.23 2wdk n ALA 94 Ca 0.15 -3.00 -0.02 0.00 0.00 0.00 0.00 53.44 50.58 2wdk n ALA 94 Cb 0.33 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 16.95 2wdk n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdk n ALA 95 N 2.72 -2.78 0.00 0.00 0.00 -1.26 -5.00 120.51 114.19 2wdk n ALA 95 Ca 0.62 0.29 0.00 0.00 0.00 0.00 0.00 53.44 54.35 2wdk n ALA 95 Cb 0.49 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2wdk n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdk n GLY 96 N -0.59 0.08 1.40 0.00 0.00 -1.23 -5.06 105.19 99.79 2wdk n GLY 96 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wdk n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdk n ALA 97 N -0.78 -1.86 -0.44 4.61 0.00 -0.87 -4.32 120.51 116.85 2wdk n ALA 97 Ca 0.00 0.41 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 2wdk n ALA 97 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 2wdk n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wdk n PRO 98 N -1.28 1.02 -0.01 0.00 -0.04 -1.26 -4.62 135.00 128.82 2wdk n PRO 98 Ca 0.00 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 2wdk n PRO 98 Cb 0.10 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 2wdk n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wdk n LEU 99 N 3.33 0.87 -3.89 1.53 4.77 -1.26 -4.62 117.00 117.72 2wdk n LEU 99 Ca 0.22 -0.43 -0.11 0.00 -0.03 0.00 0.00 56.01 55.65 2wdk n LEU 99 Cb 0.28 -0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 41.09 2wdk n LEU 99 CO 0.34 0.15 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.56 2wdk s ILE 100 N 0.75 0.02 -0.94 -0.08 1.09 -1.26 -4.95 121.20 115.84 2wdk s ILE 100 Ca 0.00 -0.17 -0.24 0.00 -1.10 0.00 0.00 60.65 59.14 2wdk s ILE 100 Cb 0.00 -0.06 -0.02 0.00 -1.06 0.00 0.00 42.46 41.32 2wdk s ILE 100 CO 0.00 -0.09 1.81 -0.83 -0.10 0.00 0.00 174.94 175.72 2wdk s GLY 101 N -0.28 0.49 0.00 6.18 0.00 -1.26 -4.90 107.32 107.55 2wdk s GLY 101 Ca -0.03 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 42.96 2wdk s GLY 101 CO -0.00 3.26 0.00 0.61 0.00 0.00 0.00 173.10 176.97 2wdk n GLY 102 N 6.86 3.81 0.26 0.20 0.00 -1.26 -4.94 105.19 110.11 2wdk n GLY 102 Ca 0.38 -2.19 0.17 0.00 0.00 0.00 0.00 46.02 44.38 2wdk n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wdk h GLY 103 N 0.00 0.00 -2.48 -0.02 0.00 -1.90 -3.43 103.07 95.23 2wdk h GLY 103 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2wdk h GLY 103 CO 0.00 0.00 0.18 -2.27 0.00 0.00 0.00 176.54 174.45 2wdk s LEU 104 N -5.69 3.93 -0.09 3.11 0.20 -1.26 -5.08 118.68 113.79 2wdk s LEU 104 Ca -0.01 1.36 0.01 0.00 0.69 0.00 0.00 54.13 56.19 2wdk s LEU 104 Cb 0.10 -4.21 -0.02 0.00 -0.43 0.00 0.00 46.19 41.63 2wdk s LEU 104 CO 0.44 -0.33 -0.12 -0.94 -0.29 0.00 0.00 176.35 175.11 2wdk s SER 105 N -2.58 4.15 0.00 3.68 1.04 -1.26 -5.04 113.70 113.69 2wdk s SER 105 Ca 0.56 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2wdk s SER 105 Cb -0.10 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.75 2wdk s SER 105 CO 0.22 0.26 0.06 0.00 0.98 0.00 0.00 173.24 174.75