#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 5.13 -0.75 1.08 1.01 -1.26 -3.09 116.67 118.79 2wb1 s ASP 12 Ca 0.00 2.37 0.00 0.00 0.71 0.00 0.00 52.55 55.63 2wb1 s ASP 12 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2wb1 s ASP 12 CO 0.00 -1.63 0.00 0.18 0.21 0.00 0.00 175.17 173.93 2wb1 n LEU 13 N -1.68 -0.49 -0.15 1.23 4.77 -1.26 -4.82 117.00 114.60 2wb1 n LEU 13 Ca 0.13 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.25 2wb1 n LEU 13 Cb 0.50 -1.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.19 2wb1 n LEU 13 CO 0.45 -0.40 0.22 1.57 -1.33 0.00 0.00 177.39 177.90 2wb1 n HIS 14 N -1.45 -0.16 0.09 -1.77 -0.00 -1.18 -2.67 115.22 108.08 2wb1 n HIS 14 Ca -0.07 0.46 -0.11 0.00 0.46 0.00 0.00 57.72 58.45 2wb1 n HIS 14 Cb 0.25 -0.48 -0.08 0.00 -0.12 0.00 0.00 29.99 29.57 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 -0.26 -0.83 1.57 3.57 -1.88 -3.37 116.94 115.74 2wb1 h PHE 15 Ca 0.06 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.76 2wb1 h PHE 15 Cb 0.15 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 2wb1 h PHE 15 CO -0.46 0.14 0.57 -0.91 -2.23 0.00 0.00 178.31 175.41 2wb1 h ASN 16 N -0.85 0.25 -0.41 0.41 4.21 -1.91 0.15 115.58 117.43 2wb1 h ASN 16 Ca -0.03 0.02 -0.15 0.00 1.21 0.00 0.00 56.30 57.36 2wb1 h ASN 16 Cb 0.51 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 2wb1 h ASN 16 CO 0.05 0.10 -0.31 -0.33 -1.29 0.00 0.00 177.43 175.65 2wb1 h GLU 17 N 0.25 0.95 -0.59 0.81 5.08 -1.70 -2.97 114.58 116.41 2wb1 h GLU 17 Ca 0.42 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2wb1 h GLU 17 Cb 1.24 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 2wb1 h GLU 17 CO -0.10 1.12 0.36 0.28 -1.00 0.00 0.00 179.01 179.66 2wb1 h VAL 18 N 0.80 1.18 -0.20 3.13 2.07 -0.87 -3.04 116.25 119.31 2wb1 h VAL 18 Ca 0.08 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.27 2wb1 h VAL 18 Cb 0.89 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2wb1 h VAL 18 CO 0.08 0.18 -0.23 0.15 0.02 0.00 0.00 177.57 177.77 2wb1 h PHE 19 N 0.80 -0.60 0.41 1.57 3.57 -1.39 -2.95 116.94 118.35 2wb1 h PHE 19 Ca 0.21 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2wb1 h PHE 19 Cb -0.02 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2wb1 h PHE 19 CO -0.02 -0.31 -0.49 0.82 -2.23 0.00 0.00 178.31 176.08 2wb1 h ILE 20 N -0.25 0.00 -1.08 1.41 2.04 -1.41 -2.15 117.51 116.07 2wb1 h ILE 20 Ca 0.12 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.30 2wb1 h ILE 20 Cb 0.44 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.40 2wb1 h ILE 20 CO -0.35 0.00 0.66 0.77 0.00 0.00 0.00 178.15 179.23 2wb1 h SER 21 N -0.92 0.46 1.77 1.72 4.64 -1.54 0.47 113.55 120.15 2wb1 h SER 21 Ca -0.05 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2wb1 h SER 21 Cb 0.82 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2wb1 h SER 21 CO -0.10 -0.05 0.00 -0.07 -0.87 0.00 0.00 176.83 175.74 2wb1 h LEU 22 N 0.33 0.00 0.00 5.97 3.38 -1.21 -3.20 115.31 120.58 2wb1 h LEU 22 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.67 2wb1 h LEU 22 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2wb1 h LEU 22 CO -0.46 0.00 -1.53 0.79 0.09 0.00 0.00 178.44 177.32 2wb1 n TRP 23 N -3.00 0.34 0.00 1.13 5.03 0.10 -3.97 117.44 117.07 2wb1 n TRP 23 Ca 0.04 0.10 0.00 0.00 3.03 0.00 0.00 57.50 60.67 2wb1 n TRP 23 Cb 0.48 -0.62 0.00 0.00 -1.03 0.00 0.00 31.31 30.14 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 -2.33 0.00 0.01 -0.99 7.27 -0.87 -3.15 117.38 117.32 2wb1 n GLN 24 Ca -0.02 0.29 -0.01 0.00 0.07 0.00 0.00 57.00 57.33 2wb1 n GLN 24 Cb 0.54 -1.56 -0.00 0.00 2.41 0.00 0.00 30.24 31.63 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 -0.04 -1.58 1.69 4.21 -1.73 -3.50 115.58 114.62 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 0.12 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 2wb1 h ASN 25 CO 0.00 0.03 0.00 -1.14 -1.29 0.00 0.00 177.43 175.03 2wb1 n ARG 26 N -2.49 0.65 -4.14 0.81 0.63 -1.19 -5.07 116.66 105.86 2wb1 n ARG 26 Ca -0.01 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 2wb1 n ARG 26 Cb 0.02 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.85 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 3.71 0.93 6.15 1.02 -1.26 -4.91 118.68 124.32 2wb1 s LEU 27 Ca 0.00 0.02 -0.11 0.00 0.02 0.00 0.00 54.13 54.06 2wb1 s LEU 27 Cb 0.00 -2.25 0.15 0.00 0.02 0.00 0.00 46.19 44.11 2wb1 s LEU 27 CO 0.00 0.23 1.10 0.42 0.02 0.00 0.00 176.35 178.12 2wb1 s THR 28 N -1.23 2.43 0.41 5.49 -4.23 -1.26 -4.83 115.64 112.41 2wb1 s THR 28 Ca 0.24 0.14 0.16 0.00 -1.18 0.00 0.00 61.69 61.05 2wb1 s THR 28 Cb -0.12 -2.36 0.37 0.00 1.34 0.00 0.00 72.50 71.73 2wb1 s THR 28 CO 0.16 -0.18 1.86 0.03 -0.54 0.00 0.00 174.62 175.95 2wb1 h ARG 29 N -1.81 0.43 0.15 3.99 3.08 -2.00 -2.67 114.38 115.54 2wb1 h ARG 29 Ca -0.48 -0.03 -0.33 0.00 0.07 0.00 0.00 59.98 59.21 2wb1 h ARG 29 Cb 1.28 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2wb1 h ARG 29 CO 0.48 0.28 -1.67 1.88 -1.07 0.00 0.00 179.97 179.88 2wb1 h TYR 30 N 0.44 0.58 0.50 3.04 -1.99 -1.98 -1.17 116.97 116.40 2wb1 h TYR 30 Ca 0.46 -0.43 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 2wb1 h TYR 30 Cb 1.08 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.80 2wb1 h TYR 30 CO -0.00 1.54 -0.24 0.93 -0.00 0.00 0.00 178.16 180.38 2wb1 h GLU 31 N 0.09 -0.65 -0.58 4.88 5.08 -1.89 0.15 114.58 121.65 2wb1 h GLU 31 Ca -0.30 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2wb1 h GLU 31 Cb 2.06 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 31.37 2wb1 h GLU 31 CO 0.17 -0.40 0.06 0.82 -1.00 0.00 0.00 179.01 178.66 2wb1 h ILE 32 N -0.76 0.59 -0.54 3.13 2.04 -1.55 -0.04 117.51 120.38 2wb1 h ILE 32 Ca -0.07 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.79 2wb1 h ILE 32 Cb 0.56 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 2wb1 h ILE 32 CO 0.11 0.03 0.26 0.00 0.00 0.00 0.00 178.15 178.55 2wb1 h ALA 33 N 1.50 0.70 -0.68 1.87 0.00 -1.10 -1.71 119.26 119.83 2wb1 h ALA 33 Ca 0.30 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2wb1 h ALA 33 Cb 0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2wb1 h ALA 33 CO -0.44 -0.11 0.29 -0.09 0.00 0.00 0.00 179.25 178.90 2wb1 h ARG 34 N 0.49 1.00 -0.25 0.00 9.65 0.11 -0.50 114.38 124.88 2wb1 h ARG 34 Ca 0.25 -0.17 -0.14 0.00 -1.10 0.00 0.00 59.98 58.82 2wb1 h ARG 34 Cb 0.20 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2wb1 h ARG 34 CO -0.20 0.82 -0.40 -0.39 2.80 0.00 0.00 179.97 182.61 2wb1 h VAL 35 N 0.96 1.31 -0.21 0.20 -1.51 -1.01 -1.93 116.25 114.06 2wb1 h VAL 35 Ca 0.23 -1.60 0.04 0.00 -1.23 0.00 0.00 66.70 64.14 2wb1 h VAL 35 Cb 0.18 1.73 -0.04 0.00 -2.13 0.00 0.00 31.29 31.03 2wb1 h VAL 35 CO -0.02 0.51 -0.06 0.40 -1.23 0.00 0.00 177.57 177.17 2wb1 h ILE 36 N 0.43 0.78 -0.44 7.19 1.08 -1.05 -1.35 117.51 124.15 2wb1 h ILE 36 Ca 0.02 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 2wb1 h ILE 36 Cb 0.99 0.78 -0.08 0.00 -3.07 0.00 0.00 36.82 35.44 2wb1 h ILE 36 CO 0.09 0.00 -0.11 0.28 -0.69 0.00 0.00 178.15 177.72 2wb1 h SER 37 N -0.01 -0.41 0.62 1.72 0.02 -1.03 -2.17 113.55 112.29 2wb1 h SER 37 Ca 0.10 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2wb1 h SER 37 Cb 0.16 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 2wb1 h SER 37 CO -0.22 -0.14 -0.37 0.00 -1.14 0.00 0.00 176.83 174.96 2wb1 h ALA 38 N 1.44 -0.94 -0.40 3.77 0.00 -0.68 -2.81 119.26 119.64 2wb1 h ALA 38 Ca 0.21 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2wb1 h ALA 38 Cb 0.32 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2wb1 h ALA 38 CO -0.45 -1.04 0.22 -0.09 0.00 0.00 0.00 179.25 177.88 2wb1 h ARG 39 N -0.93 0.43 -1.00 0.00 9.65 -1.22 -1.98 114.38 119.32 2wb1 h ARG 39 Ca -0.08 -0.03 0.23 0.00 -1.10 0.00 0.00 59.98 59.01 2wb1 h ARG 39 Cb 0.75 -0.10 -0.10 0.00 -1.39 0.00 0.00 29.97 29.13 2wb1 h ARG 39 CO 0.08 0.28 0.63 0.00 2.80 0.00 0.00 179.97 183.77 2wb1 h ALA 40 N 1.19 1.99 -0.02 2.80 0.00 -1.33 0.20 119.26 124.09 2wb1 h ALA 40 Ca 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2wb1 h ALA 40 Cb 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wb1 h ALA 40 CO -0.10 -0.38 -0.02 1.25 0.00 0.00 0.00 179.25 180.00 2wb1 h LEU 41 N 0.54 0.05 0.10 0.00 5.85 -1.11 -2.58 115.31 118.16 2wb1 h LEU 41 Ca 0.58 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2wb1 h LEU 41 Cb 1.23 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2wb1 h LEU 41 CO -0.34 0.57 -0.27 1.56 -0.34 0.00 0.00 178.44 179.62 2wb1 h GLN 42 N -0.47 -0.40 -0.82 1.25 4.20 -0.54 0.24 115.11 118.58 2wb1 h GLN 42 Ca 0.00 0.03 0.16 0.00 0.06 0.00 0.00 58.65 58.90 2wb1 h GLN 42 Cb 0.56 0.09 -0.10 0.00 0.30 0.00 0.00 27.48 28.33 2wb1 h GLN 42 CO 0.01 -0.27 0.37 -0.07 -0.67 0.00 0.00 178.83 178.19 2wb1 h LEU 43 N -0.42 0.37 -0.01 1.46 3.38 -0.79 0.12 115.31 119.43 2wb1 h LEU 43 Ca -0.01 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2wb1 h LEU 43 Cb 0.41 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2wb1 h LEU 43 CO -0.13 0.12 0.01 0.00 0.09 0.00 0.00 178.44 178.53 2wb1 h ALA 44 N 1.58 0.01 0.00 1.53 0.00 -1.25 0.87 119.26 122.01 2wb1 h ALA 44 Ca 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2wb1 h ALA 44 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2wb1 h ALA 44 CO -0.42 -0.45 0.00 -1.33 0.00 0.00 0.00 179.25 177.05 2wb1 n MET 45 N -5.05 0.40 -2.97 0.00 2.81 0.84 -4.80 117.12 108.36 2wb1 n MET 45 Ca -0.07 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.70 2wb1 n MET 45 Cb 0.06 -1.20 0.06 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.31 -0.15 1.46 3.03 0.00 0.30 -4.99 105.19 105.16 2wb1 n GLY 46 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.13 -0.30 -2.71 4.61 0.00 -1.00 -4.98 120.51 113.01 2wb1 n ALA 47 Ca -0.19 -0.69 -0.37 0.00 0.00 0.00 0.00 53.44 52.19 2wb1 n ALA 47 Cb 0.61 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.81 4.18 -0.52 0.00 0.04 -1.26 -4.85 135.00 128.78 2wb1 s PRO 48 Ca 0.27 0.16 -0.27 0.00 0.04 0.00 0.00 61.00 61.20 2wb1 s PRO 48 Cb -0.01 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 2wb1 s PRO 48 CO 0.19 0.31 1.86 0.00 0.04 0.00 0.00 177.00 179.39 2wb1 s ALA 49 N 0.23 2.37 0.06 8.56 0.00 -1.26 -4.94 121.76 126.79 2wb1 s ALA 49 Ca 0.18 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.50 2wb1 s ALA 49 Cb -0.14 -4.21 -0.07 0.00 0.00 0.00 0.00 23.12 18.70 2wb1 s ALA 49 CO 0.06 -3.51 1.50 -0.51 0.00 0.00 0.00 175.76 173.29 2wb1 s LEU 50 N 8.49 4.35 -0.41 0.00 1.43 -1.26 -3.64 118.68 127.63 2wb1 s LEU 50 Ca 0.72 2.33 -0.11 0.00 -1.03 0.00 0.00 54.13 56.04 2wb1 s LEU 50 Cb -0.16 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.51 2wb1 s LEU 50 CO 0.25 -0.77 0.22 -0.38 0.23 0.00 0.00 176.35 175.90 2wb1 n ILE 51 N 4.46 -0.84 -4.32 -0.59 2.08 -1.26 -4.93 119.36 113.96 2wb1 n ILE 51 Ca 0.14 -0.20 -0.26 0.00 0.56 0.00 0.00 62.75 63.00 2wb1 n ILE 51 Cb 0.42 -0.72 -0.17 0.00 -0.75 0.00 0.00 39.64 38.42 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 -4.46 1.96 -0.60 4.38 1.11 -1.24 -5.06 116.67 112.75 2wb1 s ASP 52 Ca 0.16 -0.31 -0.19 0.00 0.18 0.00 0.00 52.55 52.38 2wb1 s ASP 52 Cb -0.09 -0.85 0.10 0.00 1.07 0.00 0.00 42.92 43.15 2wb1 s ASP 52 CO 0.33 -0.02 0.74 -0.63 1.18 0.00 0.00 175.17 176.76 2wb1 s ILE 53 N 1.06 4.74 -0.18 0.77 -1.09 -1.26 -4.95 121.20 120.30 2wb1 s ILE 53 Ca -0.07 -0.88 -0.00 0.00 -2.23 0.00 0.00 60.65 57.47 2wb1 s ILE 53 Cb -0.15 -4.51 0.13 0.00 -1.58 0.00 0.00 42.46 36.35 2wb1 s ILE 53 CO -0.01 -1.17 1.94 0.59 -1.23 0.00 0.00 174.94 175.06 2wb1 n ASN 54 N 6.54 5.74 -4.09 3.58 4.13 -1.26 -4.51 115.26 125.40 2wb1 n ASN 54 Ca -0.09 -2.76 -0.32 0.00 1.68 0.00 0.00 54.58 53.09 2wb1 n ASN 54 Cb 0.43 -1.04 -0.16 0.00 -1.54 0.00 0.00 39.78 37.47 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 0.87 3.47 -0.69 6.41 0.01 -1.26 -4.65 114.94 119.10 2wb1 s ASN 55 Ca 0.18 -0.85 -0.06 0.00 -0.71 0.00 0.00 52.86 51.41 2wb1 s ASN 55 Cb 0.14 -1.46 0.06 0.00 0.41 0.00 0.00 41.25 40.41 2wb1 s ASN 55 CO 0.00 -0.07 0.19 -0.11 -1.51 0.00 0.00 177.10 175.61 2wb1 n LEU 56 N 4.59 -0.51 0.00 0.60 7.94 -1.26 -4.78 117.00 123.58 2wb1 n LEU 56 Ca -0.18 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.69 2wb1 n LEU 56 Cb 0.48 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.03 2wb1 n LEU 56 CO 0.24 0.03 -0.47 -1.20 -1.11 0.00 0.00 177.39 174.87 2wb1 n SER 57 N -1.84 4.74 0.00 1.96 7.64 -1.26 -5.11 113.62 119.75 2wb1 n SER 57 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2wb1 n SER 57 Cb 0.51 0.66 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 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 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 -3.66 0.44 -1.04 -1.26 -5.10 114.28 103.66 2wb1 n THR 59 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2wb1 n THR 59 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 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 1.00 -0.76 0.03 8.00 1.01 -1.26 -4.89 116.67 119.80 2wb1 s ASP 60 Ca 0.00 1.27 0.00 0.00 0.71 0.00 0.00 52.55 54.53 2wb1 s ASP 60 Cb 0.00 1.37 0.00 0.00 1.01 0.00 0.00 42.92 45.30 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 4.67 -0.10 0.00 -1.27 0.31 -1.26 -4.38 118.33 116.30 2wb1 n VAL 61 Ca -0.18 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2wb1 n VAL 61 Cb 0.55 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 -2.63 0.00 -0.29 2.52 5.41 -1.26 -3.55 119.36 119.56 2wb1 n ILE 62 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2wb1 n ILE 62 Cb 0.03 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.04 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 0.92 -0.66 4.38 4.64 -1.99 0.22 113.55 121.06 2wb1 h SER 63 Ca 0.00 -0.03 0.10 0.00 -0.47 0.00 0.00 61.79 61.39 2wb1 h SER 63 Cb 0.00 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 61.78 2wb1 h SER 63 CO 0.00 0.68 0.27 0.40 -0.87 0.00 0.00 176.83 177.30 2wb1 h ILE 64 N 1.08 0.76 -0.66 0.95 2.04 -1.81 0.91 117.51 120.79 2wb1 h ILE 64 Ca 0.29 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.91 2wb1 h ILE 64 Cb -0.11 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 2wb1 h ILE 64 CO -0.06 0.08 0.08 0.00 0.00 0.00 0.00 178.15 178.25 2wb1 h ALA 65 N 1.45 0.89 -0.22 1.87 0.00 -1.65 -2.80 119.26 118.80 2wb1 h ALA 65 Ca 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wb1 h ALA 65 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2wb1 h ALA 65 CO -0.32 0.67 0.11 0.93 0.00 0.00 0.00 179.25 180.64 2wb1 h GLU 66 N 1.03 0.32 0.00 0.00 5.08 0.11 -0.13 114.58 120.97 2wb1 h GLU 66 Ca 0.20 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2wb1 h GLU 66 Cb 0.48 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2wb1 h GLU 66 CO 0.02 0.32 -0.01 0.93 -1.00 0.00 0.00 179.01 179.27 2wb1 h GLU 67 N 0.23 0.00 -0.20 2.33 4.39 -0.92 0.14 114.58 120.56 2wb1 h GLU 67 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2wb1 h GLU 67 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2wb1 h GLU 67 CO -0.01 0.01 0.00 -0.85 -1.16 0.00 0.00 179.01 177.00 2wb1 n GLU 68 N -3.12 2.28 -0.10 2.33 0.28 -0.98 -3.13 120.64 118.20 2wb1 n GLU 68 Ca -0.01 -2.04 -0.15 0.00 -0.16 0.00 0.00 57.16 54.81 2wb1 n GLU 68 Cb 0.24 -1.46 -0.14 0.00 1.43 0.00 0.00 31.44 31.51 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 1.34 0.15 0.25 -1.84 7.35 -0.10 -3.24 117.46 121.37 2wb1 n PHE 69 Ca 0.16 0.04 0.09 0.00 -0.76 0.00 0.00 57.45 56.98 2wb1 n PHE 69 Cb 0.57 -1.02 0.64 0.00 0.35 0.00 0.00 39.48 40.02 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 -0.16 -4.13 1.12 -0.85 -2.59 114.38 107.77 2wb1 h ARG 70 Ca -0.54 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.33 2wb1 h ARG 70 Cb 2.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.02 2wb1 h ARG 70 CO -0.02 0.12 0.00 -2.13 -3.11 0.00 0.00 179.97 174.83 2wb1 n ARG 71 N -4.07 2.24 -1.96 0.20 3.00 -1.18 -4.96 116.66 109.93 2wb1 n ARG 71 Ca -0.02 -1.83 -0.19 0.00 -0.00 0.00 0.00 57.85 55.81 2wb1 n ARG 71 Cb 0.21 -1.47 -0.05 0.00 0.00 0.00 0.00 32.46 31.15 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 1.36 0.73 0.08 5.14 0.00 -0.98 -4.89 105.19 106.63 2wb1 n GLY 72 Ca 0.17 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.22 0.42 -3.00 1.61 0.24 -1.22 -4.77 118.33 108.38 2wb1 n VAL 73 Ca -0.21 -0.49 -0.40 0.00 -2.04 0.00 0.00 64.34 61.20 2wb1 n VAL 73 Cb 0.65 -0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.79 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 -4.95 4.34 -1.39 1.34 0.05 -1.20 -4.92 118.68 111.94 2wb1 s LEU 74 Ca -0.01 1.28 -0.11 0.00 0.05 0.00 0.00 54.13 55.33 2wb1 s LEU 74 Cb 0.11 -3.16 0.09 0.00 -2.05 0.00 0.00 46.19 41.18 2wb1 s LEU 74 CO 0.82 -0.12 2.17 -0.81 -0.55 0.00 0.00 176.35 177.86 2wb1 n PRO 75 N 3.68 3.40 -5.00 1.48 -0.04 -1.26 -4.76 135.00 132.49 2wb1 n PRO 75 Ca -0.00 -3.01 -0.30 0.00 -0.04 0.00 0.00 63.50 60.14 2wb1 n PRO 75 Cb 0.51 -3.04 -0.15 0.00 -0.04 0.00 0.00 33.50 30.78 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 1.58 2.12 -0.22 0.52 1.01 -1.26 -5.11 121.20 119.84 2wb1 s ILE 76 Ca 0.47 -1.32 0.02 0.00 0.00 0.00 0.00 60.65 59.81 2wb1 s ILE 76 Cb 0.13 -1.80 0.05 0.00 0.01 0.00 0.00 42.46 40.85 2wb1 s ILE 76 CO -0.05 0.42 -0.11 -0.89 0.00 0.00 0.00 174.94 174.31 2wb1 s THR 77 N -0.76 1.89 -0.43 2.92 2.01 -1.26 -4.40 115.64 115.62 2wb1 s THR 77 Ca 0.11 -1.27 -0.29 0.00 0.31 0.00 0.00 61.69 60.55 2wb1 s THR 77 Cb -0.10 -1.97 0.03 0.00 0.01 0.00 0.00 72.50 70.47 2wb1 s THR 77 CO 0.01 0.11 1.12 -0.63 -0.69 0.00 0.00 174.62 174.54 2wb1 s ILE 78 N 1.27 4.30 -0.21 1.82 1.09 -1.26 -4.75 121.20 123.46 2wb1 s ILE 78 Ca -0.04 1.38 -0.18 0.00 -1.10 0.00 0.00 60.65 60.71 2wb1 s ILE 78 Cb -0.18 -4.55 -0.03 0.00 -1.06 0.00 0.00 42.46 36.65 2wb1 s ILE 78 CO -0.07 -0.85 0.51 -0.13 -0.10 0.00 0.00 174.94 174.30 2wb1 s ARG 79 N 4.21 4.17 -0.26 2.79 0.52 -1.26 -1.42 118.95 127.68 2wb1 s ARG 79 Ca 0.47 0.39 -0.00 0.00 -0.52 0.00 0.00 55.73 56.06 2wb1 s ARG 79 Cb -0.09 -3.58 0.04 0.00 0.52 0.00 0.00 34.95 31.84 2wb1 s ARG 79 CO 0.27 -0.18 -0.06 1.03 0.02 0.00 0.00 175.30 176.37 2wb1 s ARG 80 N 1.76 2.60 -0.66 3.54 0.52 0.17 -5.00 118.95 121.87 2wb1 s ARG 80 Ca 0.23 -1.13 -0.15 0.00 -0.52 0.00 0.00 55.73 54.16 2wb1 s ARG 80 Cb -0.15 -2.99 0.16 0.00 0.52 0.00 0.00 34.95 32.49 2wb1 s ARG 80 CO 0.09 -0.49 0.63 1.03 0.02 0.00 0.00 175.30 176.59 2wb1 s ARG 81 N 1.25 3.25 0.63 3.54 0.52 -1.26 -2.03 118.95 124.84 2wb1 s ARG 81 Ca -0.03 -1.99 -0.17 0.00 -0.52 0.00 0.00 55.73 53.02 2wb1 s ARG 81 Cb -0.18 -4.36 -0.02 0.00 0.52 0.00 0.00 34.95 30.91 2wb1 s ARG 81 CO -0.04 -1.33 1.18 -0.51 0.02 0.00 0.00 175.30 174.61 2wb1 s LEU 82 N 1.11 3.56 0.18 2.53 1.43 -0.48 -4.88 118.68 122.13 2wb1 s LEU 82 Ca 0.10 2.29 0.09 0.00 -1.03 0.00 0.00 54.13 55.58 2wb1 s LEU 82 Cb -0.21 -4.59 0.50 0.00 0.03 0.00 0.00 46.19 41.92 2wb1 s LEU 82 CO -0.02 -1.69 1.20 -0.81 0.23 0.00 0.00 176.35 175.26 2wb1 n PRO 83 N -1.93 0.06 0.10 1.29 -0.04 -1.26 -0.77 135.00 132.45 2wb1 n PRO 83 Ca 0.13 0.50 0.04 0.00 -0.04 0.00 0.00 63.50 64.13 2wb1 n PRO 83 Cb 0.50 -1.85 0.46 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.28 0.00 3.54 2.35 -2.02 -3.46 115.58 116.28 2wb1 h ASN 84 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2wb1 h ASN 84 Cb 0.29 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2wb1 h ASN 84 CO 0.00 0.28 0.00 0.61 -1.65 0.00 0.00 177.43 176.67 2wb1 n GLY 85 N -1.26 0.74 3.88 2.83 0.00 0.05 -5.09 105.19 106.33 2wb1 n GLY 85 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.83 3.76 -0.05 1.61 2.47 -1.24 -4.91 119.74 120.55 2wb1 s LYS 86 Ca 0.00 0.37 0.04 0.00 -1.56 0.00 0.00 55.97 54.82 2wb1 s LYS 86 Cb 0.00 -2.46 0.00 0.00 -1.46 0.00 0.00 37.83 33.91 2wb1 s LYS 86 CO 0.00 0.04 -0.16 0.42 0.16 0.00 0.00 175.35 175.81 2wb1 s ILE 87 N -2.27 1.37 -0.08 5.43 -1.09 -1.26 -1.38 121.20 121.93 2wb1 s ILE 87 Ca 0.50 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 2wb1 s ILE 87 Cb -0.10 -1.19 -0.03 0.00 -1.58 0.00 0.00 42.46 39.55 2wb1 s ILE 87 CO 0.30 0.40 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.72 2wb1 s ILE 88 N 0.20 3.76 -0.26 2.92 1.09 -0.86 -4.99 121.20 123.06 2wb1 s ILE 88 Ca -0.07 -0.45 0.01 0.00 -1.10 0.00 0.00 60.65 59.04 2wb1 s ILE 88 Cb -0.13 -2.55 0.07 0.00 -1.06 0.00 0.00 42.46 38.79 2wb1 s ILE 88 CO 0.03 0.59 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.66 2wb1 s LEU 89 N -0.68 2.92 0.00 2.97 1.43 -1.26 -0.65 118.68 123.41 2wb1 s LEU 89 Ca 0.10 -1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 51.74 2wb1 s LEU 89 Cb -0.11 -1.26 0.18 0.00 0.03 0.00 0.00 46.19 45.02 2wb1 s LEU 89 CO 0.02 -0.26 1.07 0.18 0.23 0.00 0.00 176.35 177.59 2wb1 n LEU 90 N 4.60 0.00 0.00 1.79 4.77 -0.51 -4.86 117.00 122.79 2wb1 n LEU 90 Ca -0.10 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.49 2wb1 n LEU 90 Cb 0.43 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2wb1 n LEU 90 CO 0.18 -1.22 0.00 -1.54 -1.33 0.00 0.00 177.39 173.48 2wb1 n SER 91 N -3.54 0.00 0.00 -1.43 3.41 -1.26 -4.12 113.62 106.68 2wb1 n SER 91 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2wb1 n SER 91 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2wb1 n SER 91 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06