#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcf s THR 1 N 0.00 2.67 0.22 0.44 -4.23 -1.26 -4.89 115.64 108.60 2wcf s THR 1 Ca 0.00 -0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 59.77 2wcf s THR 1 Cb 0.00 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.90 2wcf s THR 1 CO 0.00 0.00 1.61 0.07 -0.54 0.00 0.00 174.62 175.76 2wcf h LYS 2 N 0.13 0.61 -0.50 3.99 5.09 -2.05 0.13 116.57 123.97 2wcf h LYS 2 Ca -0.41 -0.29 -0.02 0.00 0.09 0.00 0.00 60.65 60.02 2wcf h LYS 2 Cb 1.29 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 33.59 2wcf h LYS 2 CO 0.50 0.87 0.22 1.25 -2.09 0.00 0.00 179.45 180.20 2wcf h LEU 3 N 0.51 0.67 -0.27 7.07 5.85 -1.99 -2.55 115.31 124.60 2wcf h LEU 3 Ca 0.05 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2wcf h LEU 3 Cb 0.85 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 2wcf h LEU 3 CO 0.07 0.64 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.39 2wcf h GLU 4 N 0.66 -0.03 -0.51 1.25 5.08 -1.76 -0.01 114.58 119.26 2wcf h GLU 4 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2wcf h GLU 4 Cb 0.16 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2wcf h GLU 4 CO -0.02 -0.02 0.32 0.93 -1.00 0.00 0.00 179.01 179.23 2wcf h GLU 5 N -0.03 0.68 0.00 2.33 5.08 -0.48 -0.69 114.58 121.47 2wcf h GLU 5 Ca 0.14 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2wcf h GLU 5 Cb 0.24 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2wcf h GLU 5 CO -0.30 0.47 -0.27 0.45 -1.00 0.00 0.00 179.01 178.36 2wcf h HIS 6 N 0.68 -0.72 -0.47 4.33 3.86 -1.36 -0.36 115.15 121.12 2wcf h HIS 6 Ca 0.18 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.45 2wcf h HIS 6 Cb -0.05 0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 2wcf h HIS 6 CO -0.03 -0.36 0.24 -0.07 0.86 0.00 0.00 177.93 178.57 2wcf h LEU 7 N -0.41 0.36 -0.83 2.43 3.38 -0.53 -0.85 115.31 118.86 2wcf h LEU 7 Ca 0.06 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.15 2wcf h LEU 7 Cb 0.49 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 2wcf h LEU 7 CO -0.23 0.26 0.48 -0.08 0.09 0.00 0.00 178.44 178.95 2wcf h GLU 8 N 0.48 0.77 -0.17 1.13 4.81 -0.90 0.92 114.58 121.62 2wcf h GLU 8 Ca 0.20 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2wcf h GLU 8 Cb 0.09 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2wcf h GLU 8 CO -0.13 0.51 0.10 0.78 -0.73 0.00 0.00 179.01 179.54 2wcf h GLY 9 N 0.79 0.25 0.97 1.92 0.00 0.14 0.18 103.07 107.32 2wcf h GLY 9 Ca 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 2wcf h GLY 9 CO -0.25 0.10 0.12 -2.22 0.00 0.00 0.00 176.54 174.29 2wcf h ILE 10 N 0.19 1.08 -0.03 2.60 2.04 -0.38 0.82 117.51 123.83 2wcf h ILE 10 Ca 0.06 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.75 2wcf h ILE 10 Cb 0.03 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2wcf h ILE 10 CO -0.01 0.08 -0.28 0.58 0.00 0.00 0.00 178.15 178.52 2wcf h VAL 11 N 0.25 0.37 -0.89 1.67 2.07 -0.68 0.21 116.25 119.24 2wcf h VAL 11 Ca 0.07 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.77 2wcf h VAL 11 Cb 0.02 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 2wcf h VAL 11 CO -0.01 0.00 0.58 -1.13 0.02 0.00 0.00 177.57 177.03 2wcf h ASN 12 N -0.40 0.51 -0.22 0.57 -0.73 -0.17 0.19 115.58 115.32 2wcf h ASN 12 Ca 0.07 0.04 -0.14 0.00 1.87 0.00 0.00 56.30 58.14 2wcf h ASN 12 Cb 0.51 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 2wcf h ASN 12 CO -0.26 0.23 -0.38 0.40 -0.37 0.00 0.00 177.43 177.05 2wcf h ILE 13 N 0.52 1.28 -0.42 2.57 2.04 0.16 0.12 117.51 123.80 2wcf h ILE 13 Ca 0.46 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.77 2wcf h ILE 13 Cb 0.97 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 2wcf h ILE 13 CO -0.20 0.50 0.28 0.15 0.00 0.00 0.00 178.15 178.88 2wcf h PHE 14 N 0.63 0.52 -0.32 1.37 3.57 0.17 -2.86 116.94 120.01 2wcf h PHE 14 Ca 0.06 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.42 2wcf h PHE 14 Cb 0.93 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2wcf h PHE 14 CO 0.05 0.33 -0.39 0.45 -2.23 0.00 0.00 178.31 176.52 2wcf h HIS 15 N 0.56 0.92 -1.21 0.41 3.86 -0.27 -0.40 115.15 119.03 2wcf h HIS 15 Ca 0.15 -0.27 0.39 0.00 -1.16 0.00 0.00 60.37 59.48 2wcf h HIS 15 Cb -0.06 -0.20 -0.13 0.00 1.06 0.00 0.00 27.41 28.08 2wcf h HIS 15 CO -0.05 1.04 0.76 1.96 0.86 0.00 0.00 177.93 182.50 2wcf h GLN 16 N 0.63 0.15 0.00 2.45 4.20 -0.55 -1.39 115.11 120.61 2wcf h GLN 16 Ca 0.05 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.55 2wcf h GLN 16 Cb 0.94 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 2wcf h GLN 16 CO 0.09 0.10 -1.68 0.66 -0.67 0.00 0.00 178.83 177.33 2wcf n TYR 17 N -4.78 0.73 0.04 2.96 4.02 -0.25 -4.44 117.16 115.44 2wcf n TYR 17 Ca 0.35 0.25 -0.01 0.00 -0.01 0.00 0.00 57.90 58.47 2wcf n TYR 17 Cb 1.28 -1.03 -0.08 0.00 -0.02 0.00 0.00 39.34 39.48 2wcf n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2wcf h SER 18 N 0.00 0.00 1.16 7.72 4.64 -0.30 -3.27 113.55 123.50 2wcf h SER 18 Ca -0.23 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.04 2wcf h SER 18 Cb 1.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.79 2wcf h SER 18 CO 0.04 0.63 -0.24 -0.37 -0.87 0.00 0.00 176.83 176.02 2wcf h VAL 19 N 0.00 0.52 -0.94 0.95 -1.51 -1.62 -3.32 116.25 110.33 2wcf h VAL 19 Ca -0.15 -1.29 0.16 0.00 -1.23 0.00 0.00 66.70 64.19 2wcf h VAL 19 Cb 1.61 1.91 -0.08 0.00 -2.13 0.00 0.00 31.29 32.60 2wcf h VAL 19 CO 0.06 0.24 0.60 0.03 -1.23 0.00 0.00 177.57 177.26 2wcf h ARG 20 N 0.00 0.71 -3.46 5.19 3.08 -1.79 -3.46 114.38 114.65 2wcf h ARG 20 Ca -0.00 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 2wcf h ARG 20 Cb 0.89 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 2wcf h ARG 20 CO 0.03 0.47 0.07 0.15 -1.07 0.00 0.00 179.97 179.61 2wcf s LYS 21 N -5.73 2.01 3.78 0.04 1.02 -1.25 -5.11 119.74 114.49 2wcf s LYS 21 Ca -0.10 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.40 2wcf s LYS 21 Cb 0.23 0.55 0.00 0.00 -0.52 0.00 0.00 37.83 38.08 2wcf s LYS 21 CO 0.79 -0.89 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2wcf n GLY 22 N -0.52 3.06 3.86 -3.33 0.00 -1.26 -4.63 105.19 102.37 2wcf n GLY 22 Ca -0.04 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 2wcf n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wcf s HIS 23 N 0.00 3.42 -0.34 1.61 -0.00 -1.26 -4.97 115.29 113.74 2wcf s HIS 23 Ca 0.00 1.17 0.27 0.00 -0.00 0.00 0.00 55.06 56.49 2wcf s HIS 23 Cb 0.00 -2.52 1.03 0.00 -0.00 0.00 0.00 32.58 31.10 2wcf s HIS 23 CO 0.00 -0.02 1.79 0.27 -0.00 0.00 0.00 174.74 176.78 2wcf h PHE 24 N 1.74 0.00 0.00 0.38 -5.15 -1.82 -3.13 116.94 108.96 2wcf h PHE 24 Ca -0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.29 2wcf h PHE 24 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.35 2wcf h PHE 24 CO 0.61 0.00 -0.02 -0.40 -2.00 0.00 0.00 178.31 176.50 2wcf n ASP 25 N -2.54 1.85 -4.06 -0.68 5.68 -1.26 -4.16 116.55 111.39 2wcf n ASP 25 Ca 0.02 -2.27 -0.13 0.00 -0.50 0.00 0.00 54.79 51.91 2wcf n ASP 25 Cb 0.30 -0.15 -0.09 0.00 -1.14 0.00 0.00 41.12 40.03 2wcf n ASP 25 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2wcf s THR 26 N -1.48 0.00 0.07 2.12 -4.23 -1.18 -4.50 115.64 106.42 2wcf s THR 26 Ca 0.10 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.65 2wcf s THR 26 Cb 0.09 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 2wcf s THR 26 CO 0.01 0.00 0.10 -1.48 -0.54 0.00 0.00 174.62 172.71 2wcf s LEU 27 N -3.17 1.86 0.46 4.79 2.34 -0.80 -4.49 118.68 119.67 2wcf s LEU 27 Ca 0.37 -0.75 -0.24 0.00 0.06 0.00 0.00 54.13 53.57 2wcf s LEU 27 Cb 0.05 0.67 -0.07 0.00 -0.56 0.00 0.00 46.19 46.28 2wcf s LEU 27 CO 0.14 -0.64 1.24 -0.94 -1.06 0.00 0.00 176.35 175.08 2wcf s SER 28 N -2.75 6.04 0.25 1.48 1.04 -1.26 -0.30 113.70 118.20 2wcf s SER 28 Ca 0.04 2.49 -0.04 0.00 0.48 0.00 0.00 55.95 58.92 2wcf s SER 28 Cb 0.05 -2.62 0.49 0.00 0.10 0.00 0.00 66.02 64.04 2wcf s SER 28 CO -0.09 -1.02 1.68 0.07 0.98 0.00 0.00 173.24 174.86 2wcf h LYS 29 N 2.13 0.26 -1.22 4.02 -0.00 -1.47 0.76 116.57 121.05 2wcf h LYS 29 Ca -0.50 -0.02 0.39 0.00 -0.00 0.00 0.00 60.65 60.52 2wcf h LYS 29 Cb 1.26 -0.06 -0.12 0.00 -0.00 0.00 0.00 32.23 33.30 2wcf h LYS 29 CO 0.60 0.17 0.78 0.78 -0.00 0.00 0.00 179.45 181.78 2wcf h GLY 30 N 0.27 1.37 1.54 0.07 0.00 -1.70 0.96 103.07 105.58 2wcf h GLY 30 Ca 0.43 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.53 2wcf h GLY 30 CO -0.53 -0.36 -0.76 0.83 0.00 0.00 0.00 176.54 175.72 2wcf h GLU 31 N 0.17 0.00 -0.34 4.80 5.08 0.24 -3.17 114.58 121.37 2wcf h GLU 31 Ca 0.76 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 59.02 2wcf h GLU 31 Cb 2.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.49 2wcf h GLU 31 CO -0.42 0.27 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.61 2wcf h LEU 32 N 0.00 0.74 -0.35 1.33 3.38 0.17 0.59 115.31 121.17 2wcf h LEU 32 Ca -0.05 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.55 2wcf h LEU 32 Cb 1.31 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 2wcf h LEU 32 CO 0.04 1.00 -0.54 0.07 0.09 0.00 0.00 178.44 179.10 2wcf h LYS 33 N 0.49 -0.40 -0.35 1.13 -0.00 -0.77 1.50 116.57 118.18 2wcf h LYS 33 Ca 0.07 0.03 0.08 0.00 -0.00 0.00 0.00 60.65 60.83 2wcf h LYS 33 Cb 0.73 0.09 -0.08 0.00 -0.00 0.00 0.00 32.23 32.97 2wcf h LYS 33 CO 0.05 -0.27 -0.18 -0.56 -0.00 0.00 0.00 179.45 178.50 2wcf h GLN 34 N -0.41 -0.12 0.62 0.07 -0.00 -1.48 0.19 115.11 113.98 2wcf h GLN 34 Ca 0.06 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.70 2wcf h GLN 34 Cb 0.59 0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.08 2wcf h GLN 34 CO -0.55 -0.08 -0.49 1.25 -0.00 0.00 0.00 178.83 178.96 2wcf h LEU 35 N -0.12 -1.29 -0.25 0.06 6.46 0.18 -2.46 115.31 117.88 2wcf h LEU 35 Ca 0.18 0.09 0.06 0.00 -0.12 0.00 0.00 57.88 58.08 2wcf h LEU 35 Cb 0.39 0.41 -0.06 0.00 -0.73 0.00 0.00 40.66 40.67 2wcf h LEU 35 CO -0.43 -0.69 -0.12 -0.07 -0.62 0.00 0.00 178.44 176.50 2wcf h LEU 36 N -1.08 -0.42 -0.58 2.25 3.38 0.22 -1.60 115.31 117.49 2wcf h LEU 36 Ca -0.08 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2wcf h LEU 36 Cb 0.90 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2wcf h LEU 36 CO 0.01 -0.16 0.28 0.00 0.09 0.00 0.00 178.44 178.66 2wcf h THR 37 N -0.09 0.91 0.30 0.22 1.03 -0.25 0.20 112.91 115.22 2wcf h THR 37 Ca 0.13 -0.18 -0.01 0.00 -0.01 0.00 0.00 66.41 66.34 2wcf h THR 37 Cb 0.29 0.34 0.00 0.00 -1.07 0.00 0.00 68.15 67.72 2wcf h THR 37 CO -0.31 0.10 -0.14 0.11 -0.01 0.00 0.00 175.52 175.26 2wcf h LYS 38 N 0.53 -0.38 0.00 0.00 6.56 -1.34 -3.18 116.57 118.75 2wcf h LYS 38 Ca 0.26 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.88 2wcf h LYS 38 Cb 0.21 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2wcf h LYS 38 CO -0.20 -0.26 0.00 0.39 -2.06 0.00 0.00 179.45 177.32 2wcf n GLU 39 N -3.94 0.09 -2.37 3.15 -0.58 -0.61 -0.09 120.64 116.29 2wcf n GLU 39 Ca -0.05 0.55 -0.21 0.00 -0.42 0.00 0.00 57.16 57.03 2wcf n GLU 39 Cb 0.16 -1.78 0.02 0.00 -0.57 0.00 0.00 31.44 29.27 2wcf n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wcf n LEU 40 N -1.97 4.07 0.12 -4.62 4.77 0.66 -4.87 117.00 115.16 2wcf n LEU 40 Ca -0.00 -4.64 -0.09 0.00 -0.03 0.00 0.00 56.01 51.25 2wcf n LEU 40 Cb 0.05 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 2wcf n LEU 40 CO 0.08 1.98 0.51 0.00 -1.33 0.00 0.00 177.39 178.63 2wcf h ALA 41 N 2.49 -0.90 0.16 -1.18 0.00 -0.48 -0.48 119.26 118.87 2wcf h ALA 41 Ca 0.23 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2wcf h ALA 41 Cb 1.22 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 2wcf h ALA 41 CO 0.71 -0.93 -0.23 -0.91 0.00 0.00 0.00 179.25 177.88 2wcf h ASN 42 N -0.48 -0.64 -0.00 0.00 2.35 -1.84 -1.39 115.58 113.58 2wcf h ASN 42 Ca -0.02 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2wcf h ASN 42 Cb 0.44 0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.99 2wcf h ASN 42 CO -0.08 -0.33 -0.39 0.74 -1.65 0.00 0.00 177.43 175.73 2wcf h THR 43 N -0.46 0.20 -0.79 2.81 2.02 -1.50 0.12 112.91 115.32 2wcf h THR 43 Ca 0.01 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.34 2wcf h THR 43 Cb 0.46 0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 66.97 2wcf h THR 43 CO -0.10 0.00 0.34 0.40 0.37 0.00 0.00 175.52 176.53 2wcf h ILE 44 N -0.54 0.66 -0.41 3.11 2.04 -1.05 0.14 117.51 121.46 2wcf h ILE 44 Ca 0.05 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 65.83 2wcf h ILE 44 Cb 0.63 0.14 -0.09 0.00 -0.74 0.00 0.00 36.82 36.75 2wcf h ILE 44 CO -0.30 0.09 -0.22 0.11 0.00 0.00 0.00 178.15 177.83 2wcf h LYS 45 N 0.48 -0.14 0.00 2.37 1.79 0.12 0.68 116.57 121.87 2wcf h LYS 45 Ca 0.44 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 2wcf h LYS 45 Cb 0.66 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2wcf h LYS 45 CO -0.40 -0.09 0.04 0.09 -1.08 0.00 0.00 179.45 178.01 2wcf n ASN 46 N -5.39 0.04 -4.69 0.86 3.02 0.47 -4.53 115.26 105.03 2wcf n ASN 46 Ca 0.02 0.48 -0.42 0.00 -0.03 0.00 0.00 54.58 54.63 2wcf n ASN 46 Cb 0.30 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 2wcf n ASN 46 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wcf s ILE 47 N -2.96 4.50 -0.30 2.41 1.01 0.23 -4.65 121.20 121.44 2wcf s ILE 47 Ca -0.00 1.79 0.20 0.00 0.00 0.00 0.00 60.65 62.65 2wcf s ILE 47 Cb 0.00 -4.15 0.15 0.00 0.01 0.00 0.00 42.46 38.47 2wcf s ILE 47 CO 0.01 0.04 1.37 0.07 0.00 0.00 0.00 174.94 176.43 2wcf h LYS 48 N 7.15 0.00 -4.31 2.79 5.09 -1.83 -3.44 116.57 122.03 2wcf h LYS 48 Ca -0.35 0.00 -0.74 0.00 0.09 0.00 0.00 60.65 59.65 2wcf h LYS 48 Cb 1.17 0.00 -0.23 0.00 0.10 0.00 0.00 32.23 33.27 2wcf h LYS 48 CO 0.84 0.15 -0.34 0.16 -2.09 0.00 0.00 179.45 178.17 2wcf s ASP 49 N -6.05 6.08 0.10 7.07 1.47 -1.26 -5.00 116.67 119.09 2wcf s ASP 49 Ca 0.04 -1.39 -0.32 0.00 1.18 0.00 0.00 52.55 52.06 2wcf s ASP 49 Cb 0.07 -2.16 -0.12 0.00 -0.34 0.00 0.00 42.92 40.37 2wcf s ASP 49 CO 0.73 -0.65 1.59 0.11 0.68 0.00 0.00 175.17 177.63 2wcf h LYS 50 N 8.71 -0.71 0.00 2.11 1.79 -1.99 -3.22 116.57 123.27 2wcf h LYS 50 Ca -0.28 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2wcf h LYS 50 Cb 1.11 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2wcf h LYS 50 CO 0.87 -0.47 0.00 0.00 -1.08 0.00 0.00 179.45 178.77 2wcf n ALA 51 N -2.76 1.75 -0.07 3.86 0.00 -1.26 -1.69 120.51 120.35 2wcf n ALA 51 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2wcf n ALA 51 Cb 0.39 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2wcf n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wcf n VAL 52 N -1.97 0.00 -0.30 0.00 0.31 -1.21 0.19 118.33 115.35 2wcf n VAL 52 Ca 0.03 1.46 0.12 0.00 -0.01 0.00 0.00 64.34 65.95 2wcf n VAL 52 Cb 0.23 -2.39 0.36 0.00 -0.91 0.00 0.00 33.84 31.13 2wcf n VAL 52 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wcf h ILE 53 N 0.00 0.80 0.00 2.52 1.08 -1.71 0.28 117.51 120.47 2wcf h ILE 53 Ca 0.00 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 2wcf h ILE 53 Cb 0.00 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 2wcf h ILE 53 CO 0.00 0.13 0.00 0.47 -0.69 0.00 0.00 178.15 178.06 2wcf n ASP 54 N -4.61 0.00 -0.01 1.72 8.00 -0.68 -0.88 116.55 120.09 2wcf n ASP 54 Ca 0.19 0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.80 2wcf n ASP 54 Cb 0.51 -0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2wcf n ASP 54 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2wcf h GLU 55 N 0.00 0.00 -0.25 -1.24 -0.00 0.57 -3.25 114.58 110.41 2wcf h GLU 55 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 59.36 59.38 2wcf h GLU 55 Cb 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.92 2wcf h GLU 55 CO 0.00 0.00 -0.15 -0.89 -0.00 0.00 0.00 179.01 177.97 2wcf n ILE 56 N -2.55 -0.17 0.21 -1.06 5.41 -0.68 0.27 119.36 120.78 2wcf n ILE 56 Ca -0.01 0.84 0.17 0.00 1.00 0.00 0.00 62.75 64.75 2wcf n ILE 56 Cb 0.03 -1.06 0.84 0.00 -0.71 0.00 0.00 39.64 38.74 2wcf n ILE 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2wcf h PHE 57 N 0.00 0.00 0.05 1.39 -1.00 -1.24 -1.50 116.94 114.64 2wcf h PHE 57 Ca 0.04 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 2wcf h PHE 57 Cb 0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 2wcf h PHE 57 CO -0.40 0.00 -0.02 1.96 -1.61 0.00 0.00 178.31 178.23 2wcf h GLN 58 N 0.00 -0.06 0.00 1.51 7.50 0.37 -2.89 115.11 121.54 2wcf h GLN 58 Ca 0.08 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.24 2wcf h GLN 58 Cb 0.50 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.04 2wcf h GLN 58 CO -0.00 0.46 0.00 0.41 -1.50 0.00 0.00 178.83 178.20 2wcf n GLY 59 N 0.41 -0.92 0.09 3.46 0.00 -0.66 -1.82 105.19 105.74 2wcf n GLY 59 Ca -0.09 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2wcf n GLY 59 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wcf h LEU 60 N 0.00 0.01 0.16 0.99 3.38 -1.30 -3.35 115.31 115.20 2wcf h LEU 60 Ca 0.00 -0.78 -0.01 0.00 0.09 0.00 0.00 57.88 57.18 2wcf h LEU 60 Cb 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2wcf h LEU 60 CO 0.00 1.22 -0.08 0.44 0.09 0.00 0.00 178.44 180.12 2wcf h ASP 61 N -0.99 -0.18 0.00 -0.43 3.32 -1.22 -2.41 116.42 114.51 2wcf h ASP 61 Ca -0.16 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2wcf h ASP 61 Cb 1.14 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2wcf h ASP 61 CO -0.09 -0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.33 2wcf n ALA 62 N -2.20 1.47 -2.48 3.45 0.00 -0.76 -1.58 120.51 118.41 2wcf n ALA 62 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 2wcf n ALA 62 Cb 0.12 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.61 2wcf n ALA 62 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2wcf n ASN 63 N 0.55 -0.44 0.00 0.00 0.23 -1.07 -5.00 115.26 109.54 2wcf n ASN 63 Ca 0.00 -1.31 0.00 0.00 -0.53 0.00 0.00 54.58 52.74 2wcf n ASN 63 Cb 0.08 0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 2wcf n ASN 63 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wcf n GLN 64 N -0.44 0.00 -0.02 -3.83 10.64 -0.62 -2.82 117.38 120.30 2wcf n GLN 64 Ca -0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 2wcf n GLN 64 Cb 0.60 -1.26 -0.07 0.00 -0.86 0.00 0.00 30.24 28.65 2wcf n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2wcf n ASP 65 N -0.72 2.95 -4.76 2.61 9.92 -1.26 -2.88 116.55 122.42 2wcf n ASP 65 Ca 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.86 2wcf n ASP 65 Cb 0.00 1.08 -0.04 0.00 -0.64 0.00 0.00 41.12 41.51 2wcf n ASP 65 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2wcf s GLU 66 N -2.42 4.65 0.38 -1.24 8.01 -1.13 -4.76 118.70 122.19 2wcf s GLU 66 Ca -0.04 1.78 -0.24 0.00 0.01 0.00 0.00 54.97 56.48 2wcf s GLU 66 Cb 0.04 -3.20 -0.09 0.00 -4.31 0.00 0.00 34.13 26.57 2wcf s GLU 66 CO 0.36 0.23 1.01 -0.65 0.01 0.00 0.00 175.26 176.21 2wcf s GLN 67 N -1.35 4.29 0.05 1.61 -1.52 -1.26 -1.63 119.66 119.86 2wcf s GLN 67 Ca 0.45 1.42 0.05 0.00 -1.95 0.00 0.00 55.36 55.33 2wcf s GLN 67 Cb -0.31 -2.58 -0.03 0.00 -0.22 0.00 0.00 33.01 29.87 2wcf s GLN 67 CO 0.40 -0.01 -0.15 0.14 -0.25 0.00 0.00 175.29 175.42 2wcf s VAL 68 N -1.70 1.15 0.34 1.09 -7.23 0.59 -4.88 120.40 109.75 2wcf s VAL 68 Ca 0.56 -1.15 0.06 0.00 -1.81 0.00 0.00 61.98 59.63 2wcf s VAL 68 Cb -0.20 -1.06 0.06 0.00 0.56 0.00 0.00 36.38 35.73 2wcf s VAL 68 CO 0.25 -0.09 0.46 -0.90 -0.31 0.00 0.00 175.10 174.51 2wcf n ASP 69 N 1.61 1.27 -0.33 4.85 3.85 -1.26 -1.90 116.55 124.64 2wcf n ASP 69 Ca -0.19 -1.91 0.09 0.00 -0.71 0.00 0.00 54.79 52.07 2wcf n ASP 69 Cb 0.54 -0.24 0.25 0.00 -1.35 0.00 0.00 41.12 40.33 2wcf n ASP 69 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 2wcf h PHE 70 N 0.08 0.95 -0.24 2.11 3.57 -2.00 -2.40 116.94 119.01 2wcf h PHE 70 Ca -0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2wcf h PHE 70 Cb 0.73 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2wcf h PHE 70 CO 0.00 0.27 0.10 0.37 -2.23 0.00 0.00 178.31 176.81 2wcf h GLN 71 N 0.76 0.35 0.00 1.11 4.15 -1.98 0.24 115.11 119.74 2wcf h GLN 71 Ca 0.50 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.84 2wcf h GLN 71 Cb 0.68 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 2wcf h GLN 71 CO -0.34 0.39 -0.12 1.49 -1.93 0.00 0.00 178.83 178.32 2wcf h GLU 72 N 0.24 0.00 -0.00 1.69 4.81 -1.82 -0.05 114.58 119.44 2wcf h GLU 72 Ca 0.08 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2wcf h GLU 72 Cb 0.17 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.55 2wcf h GLU 72 CO -0.01 0.12 -0.32 0.35 -0.73 0.00 0.00 179.01 178.42 2wcf h PHE 73 N 0.00 0.33 0.00 0.92 3.57 -0.73 0.14 116.94 121.17 2wcf h PHE 73 Ca -0.00 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 2wcf h PHE 73 Cb 0.59 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 2wcf h PHE 73 CO 0.00 0.99 -0.05 0.82 -2.23 0.00 0.00 178.31 177.84 2wcf h ILE 74 N -0.43 0.16 0.43 1.41 1.08 -0.19 0.45 117.51 120.43 2wcf h ILE 74 Ca -0.04 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 63.91 2wcf h ILE 74 Cb 1.07 1.42 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 2wcf h ILE 74 CO 0.06 0.05 -0.21 -1.28 -0.69 0.00 0.00 178.15 176.08 2wcf h SER 75 N 0.00 -0.49 -0.79 1.72 0.87 -0.68 -1.51 113.55 112.67 2wcf h SER 75 Ca -0.00 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 2wcf h SER 75 Cb 0.42 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 2wcf h SER 75 CO 0.01 -0.08 0.38 -0.07 -0.53 0.00 0.00 176.83 176.54 2wcf h LEU 76 N -1.02 1.03 -0.49 2.23 3.38 -0.16 -1.67 115.31 118.60 2wcf h LEU 76 Ca -0.06 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2wcf h LEU 76 Cb 0.55 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2wcf h LEU 76 CO 0.10 0.87 0.30 0.58 0.09 0.00 0.00 178.44 180.38 2wcf h VAL 77 N 1.11 1.08 0.00 1.22 2.07 -0.17 -1.01 116.25 120.54 2wcf h VAL 77 Ca 0.27 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2wcf h VAL 77 Cb 0.11 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2wcf h VAL 77 CO -0.03 0.11 -0.08 0.00 0.02 0.00 0.00 177.57 177.58 2wcf h ALA 78 N 1.20 1.61 0.46 1.67 0.00 -0.34 -0.59 119.26 123.27 2wcf h ALA 78 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2wcf h ALA 78 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wcf h ALA 78 CO -0.07 0.10 -0.22 0.82 0.00 0.00 0.00 179.25 179.88 2wcf h ILE 79 N 0.00 0.00 -0.71 0.00 2.04 -0.70 -1.90 117.51 116.24 2wcf h ILE 79 Ca -0.00 -0.55 0.14 0.00 1.00 0.00 0.00 64.86 65.46 2wcf h ILE 79 Cb 0.18 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 2wcf h ILE 79 CO 0.01 0.00 0.48 0.00 0.00 0.00 0.00 178.15 178.64 2wcf h ALA 80 N -1.17 2.15 -0.97 1.87 0.00 -1.39 -1.82 119.26 117.94 2wcf h ALA 80 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wcf h ALA 80 Cb 0.48 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2wcf h ALA 80 CO 0.10 -0.34 0.62 1.25 0.00 0.00 0.00 179.25 180.88 2wcf h LEU 81 N 0.36 1.13 -0.15 0.00 6.46 -0.81 -2.67 115.31 119.63 2wcf h LEU 81 Ca 0.35 -0.04 -0.13 0.00 -0.12 0.00 0.00 57.88 57.93 2wcf h LEU 81 Cb 0.84 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2wcf h LEU 81 CO -0.10 0.83 -0.41 0.07 -0.62 0.00 0.00 178.44 178.21 2wcf h LYS 82 N 1.32 0.55 -1.00 1.25 2.10 -0.53 -2.28 116.57 117.98 2wcf h LYS 82 Ca 0.35 -0.39 0.39 0.00 -2.00 0.00 0.00 60.65 59.01 2wcf h LYS 82 Cb -0.12 0.06 -0.17 0.00 -0.90 0.00 0.00 32.23 31.10 2wcf h LYS 82 CO -0.07 1.01 0.51 0.00 -2.00 0.00 0.00 179.45 178.89 2wcf h ALA 83 N 0.54 2.05 -0.42 0.07 0.00 -1.12 0.31 119.26 120.70 2wcf h ALA 83 Ca -0.01 0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 2wcf h ALA 83 Cb 1.03 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 19.01 2wcf h ALA 83 CO 0.09 -0.86 0.33 0.00 0.00 0.00 0.00 179.25 178.81 2wcf n ALA 84 N -2.33 4.52 -2.95 0.00 0.00 -1.11 -4.65 120.51 114.00 2wcf n ALA 84 Ca 0.36 -1.35 -0.03 0.00 0.00 0.00 0.00 53.44 52.41 2wcf n ALA 84 Cb 1.19 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 2wcf n ALA 84 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wcf n HIS 85 N 0.23 -0.12 -0.69 0.00 -0.00 0.11 0.17 115.22 114.93 2wcf n HIS 85 Ca 0.26 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 58.02 2wcf n HIS 85 Cb 0.73 -0.26 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 2wcf n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2wcf n TYR 86 N -1.32 0.00 -2.26 4.41 4.01 -0.86 -4.95 117.16 116.18 2wcf n TYR 86 Ca -0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.29 2wcf n TYR 86 Cb 0.06 -1.66 -0.02 0.00 -0.31 0.00 0.00 39.34 37.41 2wcf n TYR 86 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2wcf s HIS 87 N -0.94 2.51 -0.17 -0.72 3.76 0.13 -4.91 115.29 114.95 2wcf s HIS 87 Ca 0.00 0.69 -0.17 0.00 -0.15 0.00 0.00 55.06 55.44 2wcf s HIS 87 Cb 0.00 -3.66 -0.22 0.00 1.11 0.00 0.00 32.58 29.81 2wcf s HIS 87 CO 0.00 -2.53 0.28 1.79 -0.85 0.00 0.00 174.74 173.44 2wcf h THR 88 N 5.53 0.84 0.00 1.30 1.35 -1.92 -3.42 112.91 116.58 2wcf h THR 88 Ca -0.31 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 2wcf h THR 88 Cb 1.13 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 2wcf h THR 88 CO 0.96 0.51 0.00 1.41 -0.25 0.00 0.00 175.52 178.16