#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb1 s ASP 12 N 0.00 5.38 -0.72 1.08 1.01 -1.26 -3.21 116.67 118.96 2wb1 s ASP 12 Ca 0.00 2.24 0.00 0.00 0.71 0.00 0.00 52.55 55.50 2wb1 s ASP 12 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2wb1 s ASP 12 CO 0.00 -1.45 0.00 0.18 0.21 0.00 0.00 175.17 174.11 2wb1 n LEU 13 N -1.61 -0.44 -0.16 1.23 4.77 -1.26 -4.82 117.00 114.71 2wb1 n LEU 13 Ca 0.12 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.23 2wb1 n LEU 13 Cb 0.51 -1.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.19 2wb1 n LEU 13 CO 0.44 -0.40 0.19 1.57 -1.33 0.00 0.00 177.39 177.86 2wb1 n HIS 14 N -1.41 -0.16 0.04 -1.77 -0.00 -1.20 -2.39 115.22 108.33 2wb1 n HIS 14 Ca -0.07 0.47 -0.11 0.00 0.46 0.00 0.00 57.72 58.47 2wb1 n HIS 14 Cb 0.25 -0.51 -0.08 0.00 -0.12 0.00 0.00 29.99 29.53 2wb1 n HIS 14 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 2wb1 h PHE 15 N 0.00 -0.17 -0.57 1.57 3.57 -1.88 -3.37 116.94 116.10 2wb1 h PHE 15 Ca 0.06 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.69 2wb1 h PHE 15 Cb 0.15 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2wb1 h PHE 15 CO -0.41 0.30 0.39 -0.91 -2.23 0.00 0.00 178.31 175.45 2wb1 h ASN 16 N -0.82 0.14 -0.41 0.41 4.21 -1.87 0.95 115.58 118.18 2wb1 h ASN 16 Ca -0.02 0.01 -0.12 0.00 1.21 0.00 0.00 56.30 57.37 2wb1 h ASN 16 Cb 0.54 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.71 2wb1 h ASN 16 CO 0.03 0.08 -0.23 -0.33 -1.29 0.00 0.00 177.43 175.69 2wb1 h GLU 17 N 0.15 0.88 -0.68 0.81 5.08 -1.69 -2.92 114.58 116.21 2wb1 h GLU 17 Ca 0.27 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2wb1 h GLU 17 Cb 0.86 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 2wb1 h GLU 17 CO -0.04 1.05 0.44 0.28 -1.00 0.00 0.00 179.01 179.74 2wb1 h VAL 18 N 0.70 1.16 -0.25 3.13 2.07 -0.98 -2.91 116.25 119.18 2wb1 h VAL 18 Ca 0.09 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.36 2wb1 h VAL 18 Cb 0.80 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 2wb1 h VAL 18 CO 0.07 0.16 -0.16 0.15 0.02 0.00 0.00 177.57 177.81 2wb1 h PHE 19 N 0.90 -0.40 0.56 1.57 3.57 -1.36 -2.92 116.94 118.87 2wb1 h PHE 19 Ca 0.25 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 2wb1 h PHE 19 Cb -0.08 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2wb1 h PHE 19 CO -0.03 -0.23 -0.47 0.82 -2.23 0.00 0.00 178.31 176.17 2wb1 h ILE 20 N -0.14 0.00 -0.99 1.41 2.04 -1.32 -2.49 117.51 116.02 2wb1 h ILE 20 Ca 0.14 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.31 2wb1 h ILE 20 Cb 0.35 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.28 2wb1 h ILE 20 CO -0.34 0.00 0.54 0.77 0.00 0.00 0.00 178.15 179.12 2wb1 h SER 21 N -1.01 0.47 1.30 1.72 4.64 -1.52 0.64 113.55 119.79 2wb1 h SER 21 Ca -0.07 0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 2wb1 h SER 21 Cb 0.85 0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2wb1 h SER 21 CO -0.01 -0.14 -0.13 -0.07 -0.87 0.00 0.00 176.83 175.61 2wb1 h LEU 22 N 0.32 0.00 0.00 5.97 3.38 -1.25 -3.12 115.31 120.60 2wb1 h LEU 22 Ca 0.72 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.69 2wb1 h LEU 22 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2wb1 h LEU 22 CO -0.61 0.13 -1.33 0.79 0.09 0.00 0.00 178.44 177.51 2wb1 n TRP 23 N -3.20 0.46 0.00 1.13 5.03 0.18 -3.85 117.44 117.19 2wb1 n TRP 23 Ca 0.01 0.13 0.00 0.00 3.03 0.00 0.00 57.50 60.68 2wb1 n TRP 23 Cb 0.45 -0.66 0.00 0.00 -1.03 0.00 0.00 31.31 30.07 2wb1 n TRP 23 CO 0.00 0.00 0.00 0.94 -0.03 0.00 0.00 177.69 178.60 2wb1 n GLN 24 N -2.34 0.00 0.01 -0.99 7.27 -0.96 -3.07 117.38 117.30 2wb1 n GLN 24 Ca -0.01 0.28 -0.01 0.00 0.07 0.00 0.00 57.00 57.33 2wb1 n GLN 24 Cb 0.52 -1.52 -0.00 0.00 2.41 0.00 0.00 30.24 31.65 2wb1 n GLN 24 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 2wb1 h ASN 25 N 0.00 -0.03 -1.74 1.69 4.21 -1.72 -3.50 115.58 114.48 2wb1 h ASN 25 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2wb1 h ASN 25 Cb 0.05 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 2wb1 h ASN 25 CO 0.00 0.02 0.00 -1.14 -1.29 0.00 0.00 177.43 175.02 2wb1 n ARG 26 N -2.34 0.67 -4.02 0.81 0.63 -1.17 -5.07 116.66 106.15 2wb1 n ARG 26 Ca -0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 2wb1 n ARG 26 Cb 0.01 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.87 2wb1 n ARG 26 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2wb1 s LEU 27 N 0.00 3.93 0.89 6.15 1.02 -1.26 -4.90 118.68 124.51 2wb1 s LEU 27 Ca 0.00 0.04 -0.11 0.00 0.02 0.00 0.00 54.13 54.08 2wb1 s LEU 27 Cb 0.00 -2.59 0.12 0.00 0.02 0.00 0.00 46.19 43.75 2wb1 s LEU 27 CO 0.00 0.16 1.10 0.42 0.02 0.00 0.00 176.35 178.04 2wb1 s THR 28 N -1.46 2.69 0.40 5.49 -4.23 -1.26 -4.87 115.64 112.39 2wb1 s THR 28 Ca 0.31 0.22 0.16 0.00 -1.18 0.00 0.00 61.69 61.20 2wb1 s THR 28 Cb -0.12 -2.58 0.37 0.00 1.34 0.00 0.00 72.50 71.52 2wb1 s THR 28 CO 0.24 -0.29 1.82 0.03 -0.54 0.00 0.00 174.62 175.87 2wb1 h ARG 29 N -1.59 0.44 0.12 3.99 3.08 -2.00 -2.92 114.38 115.50 2wb1 h ARG 29 Ca -0.47 -0.03 -0.31 0.00 0.07 0.00 0.00 59.98 59.24 2wb1 h ARG 29 Cb 1.27 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2wb1 h ARG 29 CO 0.51 0.29 -1.59 1.88 -1.07 0.00 0.00 179.97 179.99 2wb1 h TYR 30 N 0.45 0.46 0.48 3.04 -1.99 -1.98 -1.48 116.97 115.96 2wb1 h TYR 30 Ca 0.53 -0.33 -0.02 0.00 2.00 0.00 0.00 58.73 60.90 2wb1 h TYR 30 Cb 1.25 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.96 2wb1 h TYR 30 CO -0.00 1.41 -0.23 0.93 -0.00 0.00 0.00 178.16 180.27 2wb1 h GLU 31 N 0.07 -0.62 -0.69 4.88 5.08 -1.91 0.20 114.58 121.59 2wb1 h GLU 31 Ca -0.26 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2wb1 h GLU 31 Cb 2.02 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 31.34 2wb1 h GLU 31 CO 0.16 -0.37 0.30 0.82 -1.00 0.00 0.00 179.01 178.92 2wb1 h ILE 32 N -0.74 0.78 -0.63 3.13 2.04 -1.60 -0.43 117.51 120.06 2wb1 h ILE 32 Ca -0.07 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.64 2wb1 h ILE 32 Cb 0.54 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2wb1 h ILE 32 CO 0.11 0.09 0.40 0.00 0.00 0.00 0.00 178.15 178.75 2wb1 h ALA 33 N 1.45 0.82 -0.71 1.87 0.00 -1.14 -1.97 119.26 119.59 2wb1 h ALA 33 Ca 0.35 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2wb1 h ALA 33 Cb 0.43 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2wb1 h ALA 33 CO -0.31 0.18 0.18 -0.09 0.00 0.00 0.00 179.25 179.21 2wb1 h ARG 34 N 0.81 1.12 -0.21 0.00 9.65 0.93 -1.09 114.38 125.59 2wb1 h ARG 34 Ca 0.25 -0.27 -0.14 0.00 -1.10 0.00 0.00 59.98 58.72 2wb1 h ARG 34 Cb -0.03 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.40 2wb1 h ARG 34 CO -0.08 0.99 -0.40 -0.39 2.80 0.00 0.00 179.97 182.88 2wb1 h VAL 35 N 1.06 1.32 -0.13 0.20 -1.51 -1.07 -1.73 116.25 114.39 2wb1 h VAL 35 Ca 0.22 -1.62 0.04 0.00 -1.23 0.00 0.00 66.70 64.11 2wb1 h VAL 35 Cb 0.36 1.82 -0.04 0.00 -2.13 0.00 0.00 31.29 31.30 2wb1 h VAL 35 CO 0.00 0.51 -0.11 0.40 -1.23 0.00 0.00 177.57 177.14 2wb1 h ILE 36 N 0.35 0.68 -0.48 7.19 1.08 -1.19 -0.72 117.51 124.41 2wb1 h ILE 36 Ca 0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.58 2wb1 h ILE 36 Cb 1.00 0.68 -0.09 0.00 -3.07 0.00 0.00 36.82 35.34 2wb1 h ILE 36 CO 0.09 0.00 -0.12 0.28 -0.69 0.00 0.00 178.15 177.71 2wb1 h SER 37 N -0.13 -0.46 0.44 1.72 0.02 -1.18 -1.80 113.55 112.17 2wb1 h SER 37 Ca 0.09 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2wb1 h SER 37 Cb 0.25 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2wb1 h SER 37 CO -0.21 -0.16 -0.23 0.00 -1.14 0.00 0.00 176.83 175.09 2wb1 h ALA 38 N 1.48 -0.62 -0.47 3.77 0.00 -0.49 -2.76 119.26 120.17 2wb1 h ALA 38 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wb1 h ALA 38 Cb 0.36 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2wb1 h ALA 38 CO -0.50 -0.85 0.28 -0.09 0.00 0.00 0.00 179.25 178.08 2wb1 h ARG 39 N -0.62 0.64 -1.01 0.00 9.65 -1.09 -2.57 114.38 119.38 2wb1 h ARG 39 Ca -0.06 -0.06 0.24 0.00 -1.10 0.00 0.00 59.98 59.00 2wb1 h ARG 39 Cb 0.49 -0.13 -0.12 0.00 -1.39 0.00 0.00 29.97 28.82 2wb1 h ARG 39 CO 0.09 0.48 0.61 0.00 2.80 0.00 0.00 179.97 183.94 2wb1 h ALA 40 N 1.12 1.82 -0.04 2.80 0.00 -1.25 0.19 119.26 123.90 2wb1 h ALA 40 Ca 0.17 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2wb1 h ALA 40 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2wb1 h ALA 40 CO -0.03 -0.27 -0.07 1.25 0.00 0.00 0.00 179.25 180.13 2wb1 h LEU 41 N 0.59 0.13 0.25 0.00 5.85 -1.17 -2.62 115.31 118.34 2wb1 h LEU 41 Ca 0.63 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2wb1 h LEU 41 Cb 1.21 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 2wb1 h LEU 41 CO -0.45 0.64 -0.40 1.56 -0.34 0.00 0.00 178.44 179.45 2wb1 h GLN 42 N -0.37 -0.67 -0.94 1.25 4.20 -0.85 0.74 115.11 118.47 2wb1 h GLN 42 Ca 0.00 0.05 0.13 0.00 0.06 0.00 0.00 58.65 58.89 2wb1 h GLN 42 Cb 0.62 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 28.46 2wb1 h GLN 42 CO 0.02 -0.44 0.56 -0.07 -0.67 0.00 0.00 178.83 178.22 2wb1 h LEU 43 N -0.69 0.77 -0.29 1.46 3.38 -0.77 0.11 115.31 119.28 2wb1 h LEU 43 Ca -0.03 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2wb1 h LEU 43 Cb 0.64 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2wb1 h LEU 43 CO -0.13 0.38 0.03 0.00 0.09 0.00 0.00 178.44 178.81 2wb1 h ALA 44 N 1.54 0.39 0.00 1.53 0.00 -1.30 -0.83 119.26 120.59 2wb1 h ALA 44 Ca 0.49 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2wb1 h ALA 44 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2wb1 h ALA 44 CO -0.30 0.10 0.00 -1.33 0.00 0.00 0.00 179.25 177.71 2wb1 n MET 45 N -4.62 0.52 -2.79 0.00 2.81 0.24 -4.83 117.12 108.44 2wb1 n MET 45 Ca -0.03 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.77 2wb1 n MET 45 Cb 0.22 -1.24 0.05 0.00 -0.71 0.00 0.00 33.22 31.54 2wb1 n MET 45 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wb1 n GLY 46 N 0.22 -0.04 2.14 3.03 0.00 -0.32 -4.99 105.19 105.23 2wb1 n GLY 46 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 2wb1 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wb1 n ALA 47 N -2.77 -0.25 -2.72 4.61 0.00 -1.01 -4.98 120.51 113.39 2wb1 n ALA 47 Ca -0.15 -1.03 -0.37 0.00 0.00 0.00 0.00 53.44 51.89 2wb1 n ALA 47 Cb 0.59 0.09 -0.07 0.00 0.00 0.00 0.00 19.45 20.07 2wb1 n ALA 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wb1 s PRO 48 N -4.15 4.27 -0.50 0.00 0.04 -1.26 -4.84 135.00 128.56 2wb1 s PRO 48 Ca 0.38 0.16 -0.27 0.00 0.04 0.00 0.00 61.00 61.31 2wb1 s PRO 48 Cb -0.02 -3.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 2wb1 s PRO 48 CO 0.26 0.22 1.94 0.00 0.04 0.00 0.00 177.00 179.46 2wb1 s ALA 49 N 0.50 2.30 0.19 8.56 0.00 -1.26 -4.94 121.76 127.11 2wb1 s ALA 49 Ca 0.18 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 2wb1 s ALA 49 Cb -0.13 -4.22 -0.09 0.00 0.00 0.00 0.00 23.12 18.67 2wb1 s ALA 49 CO 0.05 -3.59 1.40 -0.51 0.00 0.00 0.00 175.76 173.10 2wb1 s LEU 50 N 8.93 4.39 -0.14 0.00 1.43 -1.26 -3.67 118.68 128.35 2wb1 s LEU 50 Ca 0.76 2.49 -0.04 0.00 -1.03 0.00 0.00 54.13 56.32 2wb1 s LEU 50 Cb -0.17 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.45 2wb1 s LEU 50 CO 0.26 -0.64 0.07 -0.38 0.23 0.00 0.00 176.35 175.89 2wb1 n ILE 51 N 2.97 -0.29 -4.42 -0.59 2.08 -1.26 -4.94 119.36 112.91 2wb1 n ILE 51 Ca 0.08 -0.07 -0.26 0.00 0.56 0.00 0.00 62.75 63.06 2wb1 n ILE 51 Cb 0.41 -0.24 -0.17 0.00 -0.75 0.00 0.00 39.64 38.89 2wb1 n ILE 51 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 2wb1 s ASP 52 N -4.74 2.05 -0.61 4.38 1.11 -1.24 -5.06 116.67 112.55 2wb1 s ASP 52 Ca 0.05 -0.34 -0.19 0.00 0.18 0.00 0.00 52.55 52.25 2wb1 s ASP 52 Cb -0.03 -0.91 0.10 0.00 1.07 0.00 0.00 42.92 43.16 2wb1 s ASP 52 CO 0.11 -0.00 0.75 -0.63 1.18 0.00 0.00 175.17 176.58 2wb1 s ILE 53 N 0.95 4.76 -0.15 0.77 -1.09 -1.26 -4.95 121.20 120.23 2wb1 s ILE 53 Ca -0.09 -0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 57.39 2wb1 s ILE 53 Cb -0.15 -4.53 0.13 0.00 -1.58 0.00 0.00 42.46 36.33 2wb1 s ILE 53 CO -0.00 -1.18 1.77 0.59 -1.23 0.00 0.00 174.94 174.88 2wb1 n ASN 54 N 6.49 5.08 -4.10 3.58 4.13 -1.26 -4.51 115.26 124.67 2wb1 n ASN 54 Ca -0.08 -2.64 -0.32 0.00 1.68 0.00 0.00 54.58 53.22 2wb1 n ASN 54 Cb 0.43 -0.93 -0.16 0.00 -1.54 0.00 0.00 39.78 37.58 2wb1 n ASN 54 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2wb1 s ASN 55 N 0.85 3.52 -0.60 6.41 0.01 -1.26 -4.64 114.94 119.23 2wb1 s ASN 55 Ca 0.16 -0.88 -0.06 0.00 -0.71 0.00 0.00 52.86 51.37 2wb1 s ASN 55 Cb 0.12 -1.48 0.06 0.00 0.41 0.00 0.00 41.25 40.37 2wb1 s ASN 55 CO 0.01 -0.06 0.18 -0.11 -1.51 0.00 0.00 177.10 175.60 2wb1 n LEU 56 N 4.57 -0.38 0.00 0.60 7.94 -1.26 -4.79 117.00 123.68 2wb1 n LEU 56 Ca -0.18 0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 2wb1 n LEU 56 Cb 0.47 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.13 2wb1 n LEU 56 CO 0.24 0.03 -0.48 -1.20 -1.11 0.00 0.00 177.39 174.86 2wb1 n SER 57 N -1.80 4.83 0.00 1.96 7.64 -1.26 -5.11 113.62 119.88 2wb1 n SER 57 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2wb1 n SER 57 Cb 0.50 0.70 0.00 0.00 -1.01 0.00 0.00 64.21 64.40 2wb1 n SER 57 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2wb1 n SER 58 N -1.73 0.00 0.00 6.43 7.64 -1.26 -5.06 113.62 119.64 2wb1 n SER 58 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wb1 n SER 58 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2wb1 n SER 58 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wb1 n THR 59 N 0.00 0.00 -3.65 0.44 -1.04 -1.26 -5.10 114.28 103.66 2wb1 n THR 59 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 2wb1 n THR 59 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 2wb1 n THR 59 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2wb1 s ASP 60 N 1.06 -0.83 0.04 8.00 1.01 -1.26 -4.89 116.67 119.80 2wb1 s ASP 60 Ca 0.00 1.35 0.00 0.00 0.71 0.00 0.00 52.55 54.61 2wb1 s ASP 60 Cb 0.00 1.56 0.00 0.00 1.01 0.00 0.00 42.92 45.49 2wb1 s ASP 60 CO 0.00 -0.22 0.00 0.52 0.21 0.00 0.00 175.17 175.68 2wb1 n VAL 61 N 4.82 -0.14 0.00 -1.27 0.31 -1.26 -4.38 118.33 116.41 2wb1 n VAL 61 Ca -0.16 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2wb1 n VAL 61 Cb 0.54 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 2wb1 n VAL 61 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2wb1 n ILE 62 N -2.58 0.00 -0.36 2.52 5.41 -1.26 -3.42 119.36 119.66 2wb1 n ILE 62 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 2wb1 n ILE 62 Cb 0.04 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.10 2wb1 n ILE 62 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2wb1 h SER 63 N 0.00 1.12 -0.63 4.38 4.64 -1.99 0.36 113.55 121.43 2wb1 h SER 63 Ca 0.00 -0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.36 2wb1 h SER 63 Cb 0.00 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 61.74 2wb1 h SER 63 CO 0.00 0.82 0.30 0.40 -0.87 0.00 0.00 176.83 177.48 2wb1 h ILE 64 N 1.32 0.86 -0.66 0.95 2.04 -1.80 0.14 117.51 120.35 2wb1 h ILE 64 Ca 0.35 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.96 2wb1 h ILE 64 Cb -0.13 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 2wb1 h ILE 64 CO -0.07 0.10 0.11 0.00 0.00 0.00 0.00 178.15 178.29 2wb1 h ALA 65 N 1.38 0.96 0.04 1.87 0.00 -1.53 -2.79 119.26 119.19 2wb1 h ALA 65 Ca 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wb1 h ALA 65 Cb 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wb1 h ALA 65 CO -0.25 0.65 -0.02 0.93 0.00 0.00 0.00 179.25 180.57 2wb1 h GLU 66 N 1.01 -0.05 0.00 0.00 5.08 0.96 -0.48 114.58 121.10 2wb1 h GLU 66 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2wb1 h GLU 66 Cb 0.42 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2wb1 h GLU 66 CO 0.01 0.07 0.00 0.93 -1.00 0.00 0.00 179.01 179.02 2wb1 h GLU 67 N -0.16 0.00 -0.22 2.33 4.39 -0.79 0.81 114.58 120.94 2wb1 h GLU 67 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wb1 h GLU 67 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2wb1 h GLU 67 CO 0.01 0.00 0.00 -0.85 -1.16 0.00 0.00 179.01 177.01 2wb1 n GLU 68 N -2.92 2.21 -0.10 2.33 0.28 -0.98 -3.18 120.64 118.29 2wb1 n GLU 68 Ca -0.01 -2.01 -0.14 0.00 -0.16 0.00 0.00 57.16 54.84 2wb1 n GLU 68 Cb 0.18 -1.44 -0.14 0.00 1.43 0.00 0.00 31.44 31.46 2wb1 n GLU 68 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2wb1 n PHE 69 N 1.28 0.20 0.23 -1.84 7.35 -0.22 -3.19 117.46 121.27 2wb1 n PHE 69 Ca 0.15 0.06 0.06 0.00 -0.76 0.00 0.00 57.45 56.96 2wb1 n PHE 69 Cb 0.55 -1.03 0.54 0.00 0.35 0.00 0.00 39.48 39.89 2wb1 n PHE 69 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2wb1 h ARG 70 N 0.01 0.00 -0.05 -4.13 1.12 -0.99 -2.77 114.38 107.56 2wb1 h ARG 70 Ca -0.53 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.34 2wb1 h ARG 70 Cb 2.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.03 2wb1 h ARG 70 CO -0.01 0.16 0.00 -2.13 -3.11 0.00 0.00 179.97 174.89 2wb1 n ARG 71 N -4.25 1.98 -2.13 0.20 3.00 -1.19 -4.95 116.66 109.33 2wb1 n ARG 71 Ca -0.02 -1.43 -0.18 0.00 -0.00 0.00 0.00 57.85 56.21 2wb1 n ARG 71 Cb 0.23 -1.47 -0.03 0.00 0.00 0.00 0.00 32.46 31.20 2wb1 n ARG 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wb1 n GLY 72 N 1.26 0.21 0.05 5.14 0.00 -1.05 -4.91 105.19 105.89 2wb1 n GLY 72 Ca 0.17 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2wb1 n GLY 72 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wb1 n VAL 73 N -3.59 0.25 -2.97 1.61 0.24 -1.21 -4.79 118.33 107.86 2wb1 n VAL 73 Ca -0.21 -0.45 -0.40 0.00 -2.04 0.00 0.00 64.34 61.24 2wb1 n VAL 73 Cb 0.65 -0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.93 2wb1 n VAL 73 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2wb1 s LEU 74 N -4.64 4.31 -1.44 1.34 0.05 -1.19 -4.91 118.68 112.20 2wb1 s LEU 74 Ca -0.03 1.26 -0.11 0.00 0.05 0.00 0.00 54.13 55.30 2wb1 s LEU 74 Cb 0.13 -3.18 0.05 0.00 -2.05 0.00 0.00 46.19 41.14 2wb1 s LEU 74 CO 0.85 -0.17 2.32 -0.81 -0.55 0.00 0.00 176.35 177.98 2wb1 n PRO 75 N 3.98 3.41 -5.01 1.48 -0.04 -1.26 -4.77 135.00 132.79 2wb1 n PRO 75 Ca 0.01 -2.82 -0.31 0.00 -0.04 0.00 0.00 63.50 60.33 2wb1 n PRO 75 Cb 0.51 -3.03 -0.14 0.00 -0.04 0.00 0.00 33.50 30.80 2wb1 n PRO 75 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2wb1 s ILE 76 N 1.84 2.46 -0.22 0.52 1.01 -1.26 -5.11 121.20 120.44 2wb1 s ILE 76 Ca 0.51 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2wb1 s ILE 76 Cb 0.14 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.72 2wb1 s ILE 76 CO -0.06 0.50 -0.15 -0.89 0.00 0.00 0.00 174.94 174.34 2wb1 s THR 77 N -0.73 2.10 -0.45 2.92 2.01 -1.26 -4.42 115.64 115.81 2wb1 s THR 77 Ca 0.12 -1.32 -0.28 0.00 0.31 0.00 0.00 61.69 60.52 2wb1 s THR 77 Cb -0.10 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.35 2wb1 s THR 77 CO 0.01 0.22 1.09 -0.63 -0.69 0.00 0.00 174.62 174.62 2wb1 s ILE 78 N 1.19 4.31 -0.18 1.82 1.09 -1.26 -4.76 121.20 123.41 2wb1 s ILE 78 Ca -0.03 1.22 -0.18 0.00 -1.10 0.00 0.00 60.65 60.57 2wb1 s ILE 78 Cb -0.17 -4.54 -0.03 0.00 -1.06 0.00 0.00 42.46 36.66 2wb1 s ILE 78 CO -0.09 -0.89 0.50 -0.13 -0.10 0.00 0.00 174.94 174.24 2wb1 s ARG 79 N 4.19 4.22 -0.25 2.79 0.52 -1.26 -1.52 118.95 127.63 2wb1 s ARG 79 Ca 0.45 0.40 0.01 0.00 -0.52 0.00 0.00 55.73 56.08 2wb1 s ARG 79 Cb -0.08 -3.53 0.05 0.00 0.52 0.00 0.00 34.95 31.90 2wb1 s ARG 79 CO 0.28 -0.08 -0.10 1.03 0.02 0.00 0.00 175.30 176.46 2wb1 s ARG 80 N 1.40 2.47 -0.69 3.54 0.52 -0.35 -5.01 118.95 120.83 2wb1 s ARG 80 Ca 0.24 -1.21 -0.16 0.00 -0.52 0.00 0.00 55.73 54.08 2wb1 s ARG 80 Cb -0.15 -2.91 0.16 0.00 0.52 0.00 0.00 34.95 32.56 2wb1 s ARG 80 CO 0.10 -0.50 0.69 1.03 0.02 0.00 0.00 175.30 176.63 2wb1 s ARG 81 N 1.19 3.27 0.67 3.54 0.52 -1.26 -1.79 118.95 125.09 2wb1 s ARG 81 Ca -0.05 -1.91 -0.16 0.00 -0.52 0.00 0.00 55.73 53.09 2wb1 s ARG 81 Cb -0.18 -4.39 0.01 0.00 0.52 0.00 0.00 34.95 30.90 2wb1 s ARG 81 CO -0.05 -1.39 1.17 -0.51 0.02 0.00 0.00 175.30 174.53 2wb1 s LEU 82 N 1.38 3.43 0.17 2.53 1.43 -0.51 -4.88 118.68 122.23 2wb1 s LEU 82 Ca 0.12 2.24 0.09 0.00 -1.03 0.00 0.00 54.13 55.56 2wb1 s LEU 82 Cb -0.20 -4.58 0.50 0.00 0.03 0.00 0.00 46.19 41.95 2wb1 s LEU 82 CO -0.02 -1.88 1.22 -0.81 0.23 0.00 0.00 176.35 175.09 2wb1 n PRO 83 N -2.32 0.06 0.18 1.29 -0.04 -1.26 -0.89 135.00 132.01 2wb1 n PRO 83 Ca 0.12 0.51 0.05 0.00 -0.04 0.00 0.00 63.50 64.15 2wb1 n PRO 83 Cb 0.51 -1.81 0.51 0.00 -0.04 0.00 0.00 33.50 32.66 2wb1 n PRO 83 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2wb1 h ASN 84 N 0.00 0.12 0.00 3.54 2.35 -2.02 -3.45 115.58 116.12 2wb1 h ASN 84 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2wb1 h ASN 84 Cb 0.22 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2wb1 h ASN 84 CO 0.00 0.20 0.00 0.61 -1.65 0.00 0.00 177.43 176.59 2wb1 n GLY 85 N -1.20 0.71 3.86 2.83 0.00 -0.07 -5.09 105.19 106.23 2wb1 n GLY 85 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2wb1 n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wb1 s LYS 86 N -0.74 3.92 -0.05 1.61 2.47 -1.25 -4.91 119.74 120.79 2wb1 s LYS 86 Ca 0.00 0.61 0.05 0.00 -1.56 0.00 0.00 55.97 55.07 2wb1 s LYS 86 Cb 0.00 -2.41 -0.00 0.00 -1.46 0.00 0.00 37.83 33.96 2wb1 s LYS 86 CO 0.00 0.07 -0.20 0.42 0.16 0.00 0.00 175.35 175.80 2wb1 s ILE 87 N -2.14 1.67 -0.04 5.43 -1.09 -1.26 -1.42 121.20 122.35 2wb1 s ILE 87 Ca 0.53 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 2wb1 s ILE 87 Cb -0.10 -1.43 -0.03 0.00 -1.58 0.00 0.00 42.46 39.32 2wb1 s ILE 87 CO 0.23 0.47 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.77 2wb1 s ILE 88 N 0.01 4.14 -0.19 2.92 1.09 -0.74 -5.00 121.20 123.43 2wb1 s ILE 88 Ca -0.05 -0.46 -0.00 0.00 -1.10 0.00 0.00 60.65 59.03 2wb1 s ILE 88 Cb -0.13 -2.79 0.05 0.00 -1.06 0.00 0.00 42.46 38.53 2wb1 s ILE 88 CO 0.03 0.49 -0.06 -0.76 -0.10 0.00 0.00 174.94 174.54 2wb1 s LEU 89 N -1.22 1.97 0.76 2.97 1.43 -1.26 -1.21 118.68 122.12 2wb1 s LEU 89 Ca 0.16 -0.85 -0.05 0.00 -1.03 0.00 0.00 54.13 52.36 2wb1 s LEU 89 Cb -0.11 -1.02 0.12 0.00 0.03 0.00 0.00 46.19 45.21 2wb1 s LEU 89 CO 0.06 -0.20 1.06 -0.76 0.23 0.00 0.00 176.35 176.74 2wb1 s LEU 90 N 1.54 2.91 0.00 1.79 1.43 -0.58 -4.88 118.68 120.90 2wb1 s LEU 90 Ca -0.02 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2wb1 s LEU 90 Cb -0.17 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.73 2wb1 s LEU 90 CO -0.07 -1.96 0.00 -1.54 0.23 0.00 0.00 176.35 173.00 2wb1 n SER 91 N -3.03 0.00 0.00 2.29 3.41 -1.26 -3.99 113.62 111.04 2wb1 n SER 91 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2wb1 n SER 91 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2wb1 n SER 91 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06