#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcb s THR 1 N 0.00 2.27 0.21 2.46 -4.23 -1.26 -4.85 115.64 110.24 2wcb s THR 1 Ca 0.00 0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.50 2wcb s THR 1 Cb 0.00 -2.98 0.15 0.00 1.34 0.00 0.00 72.50 71.00 2wcb s THR 1 CO 0.00 -0.11 1.83 0.11 -0.54 0.00 0.00 174.62 175.91 2wcb h LYS 2 N -1.16 0.77 -0.56 3.99 1.57 -2.06 -1.82 116.57 117.30 2wcb h LYS 2 Ca -0.47 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.29 2wcb h LYS 2 Cb 1.32 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 2wcb h LYS 2 CO 0.64 0.51 0.32 1.25 -0.57 0.00 0.00 179.45 181.60 2wcb h LEU 3 N 0.79 0.50 -1.38 2.94 5.85 -2.00 -1.23 115.31 120.78 2wcb h LEU 3 Ca 0.29 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 2wcb h LEU 3 Cb 0.10 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2wcb h LEU 3 CO -0.14 0.35 -0.31 -0.33 -0.34 0.00 0.00 178.44 177.67 2wcb h GLU 4 N 0.63 0.00 -0.37 1.25 5.08 -1.84 -2.47 114.58 116.86 2wcb h GLU 4 Ca 0.23 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.44 2wcb h GLU 4 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2wcb h GLU 4 CO -0.12 0.31 -0.36 0.93 -1.00 0.00 0.00 179.01 178.76 2wcb h GLU 5 N 0.00 0.87 -0.46 2.33 5.08 -0.90 -1.93 114.58 119.56 2wcb h GLU 5 Ca -0.00 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 2wcb h GLU 5 Cb 0.55 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2wcb h GLU 5 CO 0.04 1.08 0.13 0.45 -1.00 0.00 0.00 179.01 179.72 2wcb h HIS 6 N 0.72 0.75 0.20 4.33 3.86 -0.91 -0.90 115.15 123.20 2wcb h HIS 6 Ca 0.06 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2wcb h HIS 6 Cb 0.93 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 2wcb h HIS 6 CO 0.06 0.68 -0.17 -0.07 0.86 0.00 0.00 177.93 179.28 2wcb h LEU 7 N 0.61 -0.44 -1.73 2.43 3.38 -1.36 -1.42 115.31 116.77 2wcb h LEU 7 Ca 0.15 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.35 2wcb h LEU 7 Cb 0.29 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2wcb h LEU 7 CO -0.00 -0.26 0.54 -0.08 0.09 0.00 0.00 178.44 178.72 2wcb h GLU 8 N -0.38 0.23 -0.20 1.13 4.81 -1.23 -1.91 114.58 117.03 2wcb h GLU 8 Ca -0.01 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 2wcb h GLU 8 Cb 0.35 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.68 2wcb h GLU 8 CO -0.03 0.15 -0.69 0.78 -0.73 0.00 0.00 179.01 178.49 2wcb h GLY 9 N 0.24 0.87 0.84 1.92 0.00 -0.57 0.13 103.07 106.49 2wcb h GLY 9 Ca 0.39 -1.15 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 2wcb h GLY 9 CO -0.09 1.02 -0.13 -2.22 0.00 0.00 0.00 176.54 175.12 2wcb h ILE 10 N 0.57 1.31 -0.44 2.60 2.04 -0.92 -1.59 117.51 121.07 2wcb h ILE 10 Ca -0.03 -1.23 0.06 0.00 1.00 0.00 0.00 64.86 64.67 2wcb h ILE 10 Cb 1.31 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.97 2wcb h ILE 10 CO 0.14 0.38 0.14 0.58 0.00 0.00 0.00 178.15 179.39 2wcb h VAL 11 N 0.19 0.84 -0.95 1.67 2.07 -1.12 -2.08 116.25 116.87 2wcb h VAL 11 Ca 0.05 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2wcb h VAL 11 Cb 0.64 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 2wcb h VAL 11 CO 0.04 0.05 0.61 0.78 0.02 0.00 0.00 177.57 179.07 2wcb h ASN 12 N 0.30 0.88 -0.08 0.57 2.35 -0.44 -1.09 115.58 118.07 2wcb h ASN 12 Ca 0.21 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2wcb h ASN 12 Cb 0.22 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.44 2wcb h ASN 12 CO -0.23 0.51 -0.40 0.40 -1.65 0.00 0.00 177.43 176.06 2wcb h ILE 13 N 0.97 1.40 -0.46 2.81 2.04 -0.95 -0.35 117.51 122.96 2wcb h ILE 13 Ca 0.45 -1.78 0.09 0.00 1.00 0.00 0.00 64.86 64.63 2wcb h ILE 13 Cb 0.41 2.28 -0.09 0.00 -0.74 0.00 0.00 36.82 38.68 2wcb h ILE 13 CO -0.21 0.52 -0.13 0.15 0.00 0.00 0.00 178.15 178.49 2wcb h PHE 14 N -0.04 -0.27 -0.54 1.37 3.57 -0.96 -2.93 116.94 117.14 2wcb h PHE 14 Ca -0.03 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2wcb h PHE 14 Cb 1.05 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 2wcb h PHE 14 CO 0.12 -0.21 -0.03 0.45 -2.23 0.00 0.00 178.31 176.42 2wcb h HIS 15 N -0.01 1.02 -0.98 0.41 3.86 -0.96 0.68 115.15 119.17 2wcb h HIS 15 Ca 0.22 -0.17 0.14 0.00 -1.16 0.00 0.00 60.37 59.40 2wcb h HIS 15 Cb 0.35 -0.27 -0.09 0.00 1.06 0.00 0.00 27.41 28.47 2wcb h HIS 15 CO -0.41 0.93 0.62 1.96 0.86 0.00 0.00 177.93 181.89 2wcb h GLN 16 N 0.86 0.86 0.02 2.45 4.20 -0.89 -1.10 115.11 121.50 2wcb h GLN 16 Ca 0.15 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 2wcb h GLN 16 Cb 0.55 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2wcb h GLN 16 CO 0.03 0.57 -0.20 1.88 -0.67 0.00 0.00 178.83 180.44 2wcb h TYR 17 N 0.88 0.17 -0.17 2.96 0.05 -1.31 -3.39 116.97 116.15 2wcb h TYR 17 Ca 0.50 -0.10 -0.04 0.00 0.05 0.00 0.00 58.73 59.14 2wcb h TYR 17 Cb 0.63 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 2wcb h TYR 17 CO -0.00 0.98 -0.09 0.66 -1.05 0.00 0.00 178.16 178.66 2wcb h SER 18 N -0.69 0.24 -0.06 3.88 4.64 -0.53 -2.74 113.55 118.29 2wcb h SER 18 Ca -0.03 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 2wcb h SER 18 Cb 1.05 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2wcb h SER 18 CO 0.04 0.37 0.04 1.62 -0.87 0.00 0.00 176.83 178.03 2wcb h VAL 19 N 0.25 0.89 -0.21 0.95 3.04 -0.97 -3.36 116.25 116.84 2wcb h VAL 19 Ca 0.05 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.74 2wcb h VAL 19 Cb 0.32 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 2wcb h VAL 19 CO 0.02 0.00 0.11 0.03 -1.01 0.00 0.00 177.57 176.72 2wcb h ARG 20 N 0.00 0.29 -4.39 4.17 3.08 -1.69 -3.45 114.38 112.39 2wcb h ARG 20 Ca 0.03 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 2wcb h ARG 20 Cb 0.12 -0.06 -0.14 0.00 0.08 0.00 0.00 29.97 29.97 2wcb h ARG 20 CO -0.00 0.28 -0.55 0.15 -1.07 0.00 0.00 179.97 178.78 2wcb s LYS 21 N -5.85 1.15 2.94 0.04 1.02 -1.26 -5.11 119.74 112.68 2wcb s LYS 21 Ca -0.13 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.36 2wcb s LYS 21 Cb 0.08 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.68 2wcb s LYS 21 CO 0.70 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 2wcb n GLY 22 N -0.23 2.07 3.74 -3.33 0.00 -1.26 -4.38 105.19 101.80 2wcb n GLY 22 Ca -0.01 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2wcb n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wcb s HIS 23 N 0.00 3.32 -0.12 1.61 5.65 -1.26 -4.89 115.29 119.59 2wcb s HIS 23 Ca 0.00 1.29 0.26 0.00 0.25 0.00 0.00 55.06 56.86 2wcb s HIS 23 Cb 0.00 -3.54 1.32 0.00 -1.18 0.00 0.00 32.58 29.18 2wcb s HIS 23 CO 0.00 -1.63 1.80 0.27 -0.65 0.00 0.00 174.74 174.52 2wcb h PHE 24 N 5.45 0.00 -0.07 3.88 -5.15 -1.76 -2.90 116.94 116.38 2wcb h PHE 24 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 2wcb h PHE 24 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 2wcb h PHE 24 CO 0.62 0.00 0.00 -3.47 -2.00 0.00 0.00 178.31 173.46 2wcb n ASP 25 N -2.42 2.20 -4.07 -0.68 2.03 -1.26 -2.66 116.55 109.69 2wcb n ASP 25 Ca -0.01 -2.02 -0.19 0.00 0.52 0.00 0.00 54.79 53.09 2wcb n ASP 25 Cb 0.10 -0.06 -0.09 0.00 -0.72 0.00 0.00 41.12 40.35 2wcb n ASP 25 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wcb s THR 26 N -1.04 0.44 0.04 5.18 -4.23 -1.10 -4.40 115.64 110.54 2wcb s THR 26 Ca 0.05 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 2wcb s THR 26 Cb 0.03 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 2wcb s THR 26 CO 0.03 0.00 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.24 2wcb s LEU 27 N -3.40 2.21 0.92 4.79 1.43 -0.73 -4.50 118.68 119.40 2wcb s LEU 27 Ca 0.35 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 2wcb s LEU 27 Cb 0.05 -0.42 0.14 0.00 0.03 0.00 0.00 46.19 45.99 2wcb s LEU 27 CO 0.17 -0.06 1.10 -0.94 0.23 0.00 0.00 176.35 176.85 2wcb s SER 28 N -1.32 3.36 0.14 2.29 1.04 -1.26 0.61 113.70 118.56 2wcb s SER 28 Ca -0.03 1.22 -0.12 0.00 0.48 0.00 0.00 55.95 57.51 2wcb s SER 28 Cb -0.08 -1.88 -0.03 0.00 0.10 0.00 0.00 66.02 64.12 2wcb s SER 28 CO 0.01 -2.67 1.50 0.11 0.98 0.00 0.00 173.24 173.17 2wcb h LYS 29 N -1.58 0.91 -0.90 4.02 1.57 -1.83 -1.40 116.57 117.36 2wcb h LYS 29 Ca -0.51 -0.42 0.16 0.00 -1.87 0.00 0.00 60.65 58.01 2wcb h LYS 29 Cb 1.31 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.51 2wcb h LYS 29 CO 0.58 1.08 0.48 0.78 -0.57 0.00 0.00 179.45 181.80 2wcb h GLY 30 N 0.73 1.51 1.20 3.86 0.00 -1.94 -1.48 103.07 106.95 2wcb h GLY 30 Ca 0.08 -0.28 -0.20 0.00 0.00 0.00 0.00 47.33 46.94 2wcb h GLY 30 CO 0.07 -0.06 -0.62 0.83 0.00 0.00 0.00 176.54 176.76 2wcb h GLU 31 N 0.65 0.82 -0.23 4.80 5.08 -1.84 -2.73 114.58 121.14 2wcb h GLU 31 Ca 0.50 -0.56 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2wcb h GLU 31 Cb 0.75 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 2wcb h GLU 31 CO -0.38 1.19 -0.15 1.25 -1.00 0.00 0.00 179.01 179.91 2wcb h LEU 32 N 0.61 -0.50 -0.78 1.33 5.85 -1.01 0.19 115.31 121.00 2wcb h LEU 32 Ca -0.01 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.93 2wcb h LEU 32 Cb 1.23 0.26 -0.08 0.00 0.37 0.00 0.00 40.66 42.44 2wcb h LEU 32 CO 0.13 -0.19 0.41 0.50 -0.34 0.00 0.00 178.44 178.95 2wcb h LYS 33 N -0.15 0.64 -0.13 1.25 1.63 -1.28 0.15 116.57 118.67 2wcb h LYS 33 Ca 0.13 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2wcb h LYS 33 Cb 0.34 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2wcb h LYS 33 CO -0.32 0.42 0.03 1.96 -3.45 0.00 0.00 179.45 178.09 2wcb h GLN 34 N 0.66 0.22 -0.19 1.90 4.20 -1.15 -1.03 115.11 119.71 2wcb h GLN 34 Ca 0.39 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 59.10 2wcb h GLN 34 Cb 0.44 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.13 2wcb h GLN 34 CO -0.29 0.39 -0.26 1.25 -0.67 0.00 0.00 178.83 179.25 2wcb h LEU 35 N 0.01 -0.83 -0.38 1.46 6.46 -0.37 -2.19 115.31 119.46 2wcb h LEU 35 Ca 0.04 0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2wcb h LEU 35 Cb 0.27 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 2wcb h LEU 35 CO 0.00 -0.30 0.25 -0.07 -0.62 0.00 0.00 178.44 177.69 2wcb h LEU 36 N -0.30 0.42 -1.61 2.25 3.38 -0.65 0.42 115.31 119.22 2wcb h LEU 36 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2wcb h LEU 36 Cb 0.48 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2wcb h LEU 36 CO -0.37 0.30 0.13 0.74 0.09 0.00 0.00 178.44 179.34 2wcb h THR 37 N 0.50 1.10 0.01 0.22 2.02 -0.99 -1.71 112.91 114.07 2wcb h THR 37 Ca 0.14 -0.30 -0.39 0.00 0.77 0.00 0.00 66.41 66.63 2wcb h THR 37 Cb -0.04 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 2wcb h THR 37 CO -0.04 0.12 -2.20 1.17 0.37 0.00 0.00 175.52 174.93 2wcb n LYS 38 N -4.44 0.61 0.15 6.66 4.81 -0.84 -3.53 118.16 121.58 2wcb n LYS 38 Ca 0.01 0.32 0.12 0.00 -0.87 0.00 0.00 58.31 57.89 2wcb n LYS 38 Cb 0.11 -1.57 0.25 0.00 0.02 0.00 0.00 35.03 33.85 2wcb n LYS 38 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2wcb h GLU 39 N -0.75 0.00 -0.15 1.64 4.39 -0.19 -2.92 114.58 116.60 2wcb h GLU 39 Ca -0.58 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.10 2wcb h GLU 39 Cb 1.63 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 2wcb h GLU 39 CO -0.28 0.00 -0.04 1.28 -1.16 0.00 0.00 179.01 178.80 2wcb n LEU 40 N -2.64 3.22 -0.31 1.33 4.77 -0.64 -4.82 117.00 117.91 2wcb n LEU 40 Ca 0.04 -3.20 0.03 0.00 -0.03 0.00 0.00 56.01 52.85 2wcb n LEU 40 Cb 0.48 -0.51 0.17 0.00 -2.33 0.00 0.00 43.42 41.23 2wcb n LEU 40 CO 0.33 0.80 1.17 0.00 -1.33 0.00 0.00 177.39 178.36 2wcb h ALA 41 N 0.93 1.21 0.01 -1.18 0.00 -1.56 0.44 119.26 119.11 2wcb h ALA 41 Ca 0.03 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2wcb h ALA 41 Cb 1.26 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.89 2wcb h ALA 41 CO 0.14 0.17 -0.48 -0.91 0.00 0.00 0.00 179.25 178.17 2wcb h ASN 42 N 0.87 0.41 -0.46 0.00 2.35 -1.87 -1.62 115.58 115.25 2wcb h ASN 42 Ca 0.40 -0.79 0.09 0.00 -0.55 0.00 0.00 56.30 55.45 2wcb h ASN 42 Cb 0.31 -0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.48 2wcb h ASN 42 CO -0.22 1.14 -0.01 0.74 -1.65 0.00 0.00 177.43 177.43 2wcb h THR 43 N -0.29 0.63 -0.60 2.81 2.02 -1.84 0.15 112.91 115.79 2wcb h THR 43 Ca -0.06 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 2wcb h THR 43 Cb 1.23 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2wcb h THR 43 CO 0.09 0.02 0.21 0.40 0.37 0.00 0.00 175.52 176.61 2wcb h ILE 44 N 0.10 1.24 -0.36 3.11 2.04 -0.11 -2.78 117.51 120.75 2wcb h ILE 44 Ca 0.23 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 2wcb h ILE 44 Cb 0.34 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2wcb h ILE 44 CO -0.40 0.30 0.22 0.50 0.00 0.00 0.00 178.15 178.78 2wcb h LYS 45 N 0.85 0.48 -0.01 2.37 3.64 0.22 -3.01 116.57 121.11 2wcb h LYS 45 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2wcb h LYS 45 Cb 0.26 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2wcb h LYS 45 CO -0.01 0.34 -0.22 0.09 -2.27 0.00 0.00 179.45 177.38 2wcb n ASN 46 N -4.46 1.08 -4.68 4.20 3.02 -0.01 -4.83 115.26 109.58 2wcb n ASN 46 Ca 0.02 -0.97 -0.42 0.00 -0.03 0.00 0.00 54.58 53.18 2wcb n ASN 46 Cb 0.08 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 2wcb n ASN 46 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wcb s ILE 47 N -2.43 4.82 -1.06 2.41 1.01 -1.14 -4.91 121.20 119.90 2wcb s ILE 47 Ca 0.26 1.87 0.24 0.00 0.00 0.00 0.00 60.65 63.02 2wcb s ILE 47 Cb 0.19 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 2wcb s ILE 47 CO 0.49 0.01 1.24 0.29 0.00 0.00 0.00 174.94 176.97 2wcb n LYS 48 N 5.15 0.07 -3.67 2.79 4.01 -1.26 -4.67 118.16 120.58 2wcb n LYS 48 Ca 0.07 -0.05 -0.39 0.00 -0.51 0.00 0.00 58.31 57.43 2wcb n LYS 48 Cb 0.49 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 33.40 2wcb n LYS 48 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2wcb s ASP 49 N -2.96 5.47 0.00 4.39 2.15 -1.26 -4.97 116.67 119.49 2wcb s ASP 49 Ca 0.11 -1.61 0.00 0.00 0.43 0.00 0.00 52.55 51.48 2wcb s ASP 49 Cb 0.17 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.87 2wcb s ASP 49 CO 0.75 -0.51 0.55 1.17 -0.17 0.00 0.00 175.17 176.95 2wcb n LYS 50 N 4.81 0.00 0.19 4.34 4.81 -1.26 -0.14 118.16 130.91 2wcb n LYS 50 Ca -0.09 0.05 0.07 0.00 -0.87 0.00 0.00 58.31 57.48 2wcb n LYS 50 Cb 0.43 -1.50 0.26 0.00 0.02 0.00 0.00 35.03 34.24 2wcb n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wcb h ALA 51 N 1.96 0.89 -0.08 3.14 0.00 -1.98 -2.23 119.26 120.96 2wcb h ALA 51 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 2wcb h ALA 51 Cb 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2wcb h ALA 51 CO 0.00 0.41 -0.53 0.28 0.00 0.00 0.00 179.25 179.40 2wcb h VAL 52 N 0.00 1.37 0.07 0.00 2.07 -0.96 -2.28 116.25 116.52 2wcb h VAL 52 Ca -0.00 -1.88 -0.00 0.00 0.82 0.00 0.00 66.70 65.63 2wcb h VAL 52 Cb 1.02 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2wcb h VAL 52 CO 0.04 0.56 -0.05 0.40 0.02 0.00 0.00 177.57 178.55 2wcb h ILE 53 N 0.09 0.00 -1.01 4.57 2.04 -1.59 -1.61 117.51 120.00 2wcb h ILE 53 Ca -0.04 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.18 2wcb h ILE 53 Cb 1.19 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.15 2wcb h ILE 53 CO 0.11 0.00 0.62 0.47 0.00 0.00 0.00 178.15 179.35 2wcb n ASP 54 N -2.45 0.19 -0.01 1.72 9.92 -0.84 -1.02 116.55 124.07 2wcb n ASP 54 Ca -0.01 1.14 -0.11 0.00 -0.53 0.00 0.00 54.79 55.28 2wcb n ASP 54 Cb 0.04 -0.56 0.02 0.00 -0.64 0.00 0.00 41.12 39.99 2wcb n ASP 54 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2wcb h GLU 55 N 0.00 0.64 -0.96 -1.24 4.81 -1.16 -0.20 114.58 116.47 2wcb h GLU 55 Ca 0.68 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2wcb h GLU 55 Cb 2.11 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 31.50 2wcb h GLU 55 CO -0.43 1.03 0.60 0.82 -0.73 0.00 0.00 179.01 180.31 2wcb h ILE 56 N 0.48 1.26 -0.52 2.32 2.04 -0.07 -2.90 117.51 120.12 2wcb h ILE 56 Ca 0.00 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2wcb h ILE 56 Cb 1.14 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2wcb h ILE 56 CO 0.11 0.26 0.00 0.49 0.00 0.00 0.00 178.15 179.01 2wcb n PHE 57 N -4.37 0.90 -2.12 1.37 3.72 -0.64 -4.99 117.46 111.33 2wcb n PHE 57 Ca 0.11 -0.40 -0.42 0.00 -0.05 0.00 0.00 57.45 56.69 2wcb n PHE 57 Cb 0.04 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 2wcb n PHE 57 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2wcb s GLN 58 N -1.50 4.25 0.00 -1.08 -0.44 -0.18 -2.88 119.66 117.84 2wcb s GLN 58 Ca 0.37 2.10 0.00 0.00 -2.50 0.00 0.00 55.36 55.33 2wcb s GLN 58 Cb 0.21 -3.56 0.00 0.00 -1.64 0.00 0.00 33.01 28.03 2wcb s GLN 58 CO 0.22 -0.62 0.00 0.41 0.50 0.00 0.00 175.29 175.80 2wcb n GLY 59 N 3.75 0.91 0.00 2.59 0.00 -1.26 -4.88 105.19 106.30 2wcb n GLY 59 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2wcb n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wcb n LEU 60 N 0.00 0.00 -0.56 0.99 4.77 -1.14 -2.95 117.00 118.11 2wcb n LEU 60 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 2wcb n LEU 60 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 2wcb n LEU 60 CO 0.00 0.00 0.59 0.47 -1.33 0.00 0.00 177.39 177.12 2wcb n ASP 61 N -0.86 2.63 -3.89 -1.43 9.92 -1.26 -4.48 116.55 117.18 2wcb n ASP 61 Ca 0.10 -3.35 -0.08 0.00 -0.53 0.00 0.00 54.79 50.93 2wcb n ASP 61 Cb 0.05 -0.51 -0.03 0.00 -0.64 0.00 0.00 41.12 39.98 2wcb n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wcb s ALA 62 N -3.00 -0.85 -1.49 2.24 0.00 -1.15 -4.93 121.76 112.58 2wcb s ALA 62 Ca 0.38 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.73 2wcb s ALA 62 Cb 0.33 0.93 0.06 0.00 0.00 0.00 0.00 23.12 24.44 2wcb s ALA 62 CO 0.02 -0.97 0.71 0.09 0.00 0.00 0.00 175.76 175.61 2wcb n ASN 63 N -0.46 -2.39 0.29 0.00 3.02 -1.26 -4.84 115.26 109.62 2wcb n ASN 63 Ca -0.03 -0.90 0.16 0.00 -0.03 0.00 0.00 54.58 53.77 2wcb n ASN 63 Cb 0.60 -3.43 0.90 0.00 -0.61 0.00 0.00 39.78 37.24 2wcb n ASN 63 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2wcb h GLN 64 N -1.85 0.00 0.00 3.52 1.08 -1.92 -0.49 115.11 115.45 2wcb h GLN 64 Ca -0.60 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.55 2wcb h GLN 64 Cb 1.37 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 2wcb h GLN 64 CO 0.66 0.04 -0.22 0.38 -0.95 0.00 0.00 178.83 178.74 2wcb h ASP 65 N 0.00 0.00 -3.36 1.46 -0.00 -2.03 -3.43 116.42 109.05 2wcb h ASP 65 Ca -0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 57.03 56.47 2wcb h ASP 65 Cb 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 39.40 2wcb h ASP 65 CO 0.00 0.22 0.16 -1.61 -0.00 0.00 0.00 179.24 178.02 2wcb s GLU 66 N -3.94 4.41 0.45 4.15 2.02 -0.19 -5.05 118.70 120.56 2wcb s GLU 66 Ca -0.01 0.94 -0.01 0.00 0.02 0.00 0.00 54.97 55.91 2wcb s GLU 66 Cb 0.12 -3.48 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 2wcb s GLU 66 CO 0.63 -0.03 0.69 -0.65 0.02 0.00 0.00 175.26 175.93 2wcb s GLN 67 N 1.10 3.15 -0.35 1.61 -1.52 -1.26 -4.51 119.66 117.87 2wcb s GLN 67 Ca 0.38 -0.35 -0.11 0.00 -1.95 0.00 0.00 55.36 53.33 2wcb s GLN 67 Cb -0.18 -2.52 0.01 0.00 -0.22 0.00 0.00 33.01 30.10 2wcb s GLN 67 CO 0.18 -0.26 0.20 0.08 -0.25 0.00 0.00 175.29 175.24 2wcb s VAL 68 N -2.59 4.72 0.75 1.09 1.01 0.20 -4.92 120.40 120.66 2wcb s VAL 68 Ca 0.48 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 2wcb s VAL 68 Cb -0.10 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.87 2wcb s VAL 68 CO 0.39 -0.11 1.05 1.51 0.00 0.00 0.00 175.10 177.94 2wcb s ASP 69 N 1.60 4.25 0.30 3.32 1.47 -1.26 -1.77 116.67 124.58 2wcb s ASP 69 Ca 0.04 -0.08 0.00 0.00 1.18 0.00 0.00 52.55 53.69 2wcb s ASP 69 Cb -0.18 -0.32 0.48 0.00 -0.34 0.00 0.00 42.92 42.55 2wcb s ASP 69 CO 0.07 -1.94 1.88 0.15 0.68 0.00 0.00 175.17 176.01 2wcb h PHE 70 N -0.72 0.82 -0.60 2.11 3.57 -1.99 -1.93 116.94 118.21 2wcb h PHE 70 Ca -0.40 -0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.15 2wcb h PHE 70 Cb 1.27 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.69 2wcb h PHE 70 CO -0.26 0.65 0.22 0.37 -2.23 0.00 0.00 178.31 177.05 2wcb h GLN 71 N 0.80 0.38 -0.05 1.11 5.75 -1.97 0.44 115.11 121.57 2wcb h GLN 71 Ca 0.19 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.59 2wcb h GLN 71 Cb 0.18 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2wcb h GLN 71 CO -0.02 0.25 -0.34 1.49 -2.65 0.00 0.00 178.83 177.57 2wcb h GLU 72 N 0.39 0.09 -0.19 1.69 4.81 -1.84 -2.73 114.58 116.79 2wcb h GLU 72 Ca 0.30 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.42 2wcb h GLU 72 Cb 0.38 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 2wcb h GLU 72 CO -0.31 0.42 -0.22 0.35 -0.73 0.00 0.00 179.01 178.52 2wcb h PHE 73 N 0.08 0.58 -0.83 0.92 3.04 0.18 -2.96 116.94 117.95 2wcb h PHE 73 Ca 0.01 -0.18 0.19 0.00 3.98 0.00 0.00 57.97 61.97 2wcb h PHE 73 Cb 0.64 -0.12 -0.12 0.00 2.56 0.00 0.00 35.95 38.91 2wcb h PHE 73 CO 0.00 0.86 0.28 0.82 -2.02 0.00 0.00 178.31 178.25 2wcb h ILE 74 N 0.14 0.48 -0.99 1.41 2.04 -0.02 0.68 117.51 121.25 2wcb h ILE 74 Ca 0.03 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.80 2wcb h ILE 74 Cb 0.77 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2wcb h ILE 74 CO 0.05 0.06 0.65 0.28 0.00 0.00 0.00 178.15 179.19 2wcb h SER 75 N 0.33 1.10 0.10 1.72 0.02 -1.35 -0.29 113.55 115.18 2wcb h SER 75 Ca 0.50 -0.02 -0.27 0.00 -0.84 0.00 0.00 61.79 61.16 2wcb h SER 75 Cb 0.91 -0.26 0.02 0.00 0.14 0.00 0.00 62.40 63.20 2wcb h SER 75 CO -0.53 0.77 -1.07 -0.07 -1.14 0.00 0.00 176.83 174.79 2wcb h LEU 76 N 1.29 0.83 -1.31 5.07 3.38 -1.19 -2.52 115.31 120.85 2wcb h LEU 76 Ca 0.38 -0.69 0.08 0.00 0.09 0.00 0.00 57.88 57.74 2wcb h LEU 76 Cb -0.06 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 2wcb h LEU 76 CO -0.11 1.49 0.52 0.58 0.09 0.00 0.00 178.44 181.01 2wcb h VAL 77 N 0.34 0.99 -0.58 1.22 2.07 -0.37 -1.26 116.25 118.66 2wcb h VAL 77 Ca -0.13 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 2wcb h VAL 77 Cb 1.72 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2wcb h VAL 77 CO 0.20 0.15 0.13 0.00 0.02 0.00 0.00 177.57 178.07 2wcb h ALA 78 N 1.58 0.77 -0.78 1.67 0.00 -0.65 0.17 119.26 122.02 2wcb h ALA 78 Ca 0.36 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2wcb h ALA 78 Cb 0.34 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2wcb h ALA 78 CO -0.13 0.49 0.38 0.82 0.00 0.00 0.00 179.25 180.81 2wcb h ILE 79 N 0.84 1.24 0.00 0.00 2.04 -1.12 -2.55 117.51 117.96 2wcb h ILE 79 Ca 0.18 -0.67 -0.15 0.00 1.00 0.00 0.00 64.86 65.23 2wcb h ILE 79 Cb 0.37 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2wcb h ILE 79 CO 0.00 0.29 -0.70 0.00 0.00 0.00 0.00 178.15 177.75 2wcb h ALA 80 N 1.31 0.58 -0.21 1.87 0.00 -0.04 -2.36 119.26 120.41 2wcb h ALA 80 Ca 0.27 -0.63 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 2wcb h ALA 80 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2wcb h ALA 80 CO -0.04 0.87 -0.48 1.25 0.00 0.00 0.00 179.25 180.86 2wcb h LEU 81 N 0.00 0.60 0.08 0.00 5.85 -0.54 0.02 115.31 121.31 2wcb h LEU 81 Ca -0.01 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 2wcb h LEU 81 Cb 1.49 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2wcb h LEU 81 CO 0.09 0.98 -0.04 0.50 -0.34 0.00 0.00 178.44 179.64 2wcb h LYS 82 N 0.44 -0.10 -0.82 1.25 3.64 -1.37 -1.86 116.57 117.75 2wcb h LYS 82 Ca 0.02 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2wcb h LYS 82 Cb 1.00 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.78 2wcb h LYS 82 CO 0.09 0.02 0.49 0.00 -2.27 0.00 0.00 179.45 177.78 2wcb h ALA 83 N 0.72 1.12 -0.21 5.00 0.00 -1.20 -0.32 119.26 124.37 2wcb h ALA 83 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2wcb h ALA 83 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wcb h ALA 83 CO 0.02 0.21 -0.33 0.00 0.00 0.00 0.00 179.25 179.15 2wcb h ALA 84 N 1.40 1.04 -0.06 0.00 0.00 -0.98 -1.89 119.26 118.77 2wcb h ALA 84 Ca 0.36 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2wcb h ALA 84 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wcb h ALA 84 CO -0.18 0.59 -0.01 1.25 0.00 0.00 0.00 179.25 180.89 2wcb h HIS 85 N 0.37 0.12 -0.99 0.00 6.17 -0.65 -2.17 115.15 118.01 2wcb h HIS 85 Ca 0.05 -0.03 0.07 0.00 0.71 0.00 0.00 60.37 61.17 2wcb h HIS 85 Cb 0.76 -0.03 -0.07 0.00 2.52 0.00 0.00 27.41 30.59 2wcb h HIS 85 CO 0.02 0.45 0.64 -0.92 0.71 0.00 0.00 177.93 178.83 2wcb h TYR 86 N -0.23 1.18 -0.06 5.26 3.20 -0.97 -0.83 116.97 124.51 2wcb h TYR 86 Ca 0.01 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 2wcb h TYR 86 Cb 0.41 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2wcb h TYR 86 CO 0.05 0.58 -0.22 1.25 -1.64 0.00 0.00 178.16 178.19 2wcb h HIS 87 N 1.13 0.11 0.00 -3.82 2.76 -1.07 -1.11 115.15 113.15 2wcb h HIS 87 Ca 0.44 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 2wcb h HIS 87 Cb 0.22 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.15 2wcb h HIS 87 CO -0.01 0.32 0.00 0.25 -1.30 0.00 0.00 177.93 177.19 2wcb n THR 88 N -4.24 1.30 0.30 6.26 -2.24 -0.32 -2.28 114.28 113.06 2wcb n THR 88 Ca -0.02 0.32 0.04 0.00 -2.27 0.00 0.00 64.05 62.12 2wcb n THR 88 Cb 0.30 -1.19 0.02 0.00 -2.10 0.00 0.00 70.33 67.36 2wcb n THR 88 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wcb n HIS 89 N -1.44 0.00 1.79 4.78 -0.00 -0.43 -5.13 115.22 114.79 2wcb n HIS 89 Ca 0.02 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.89 2wcb n HIS 89 Cb 0.08 0.00 0.85 0.00 -0.00 0.00 0.00 29.99 30.92 2wcb n HIS 89 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97