#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 1.59 0.29 0.44 2.01 -1.26 -4.95 115.64 113.76 2wcf s THR 1 Ca 0.00 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.60 2wcf s THR 1 Cb 0.00 -1.44 0.37 0.00 0.01 0.00 0.00 72.50 71.44 2wcf s THR 1 CO 0.00 -0.02 1.60 0.07 -0.69 0.00 0.00 174.62 175.58 2wcf h LYS 2 N 4.33 0.06 0.05 4.92 -0.00 -2.05 1.13 116.57 125.01 2wcf h LYS 2 Ca -0.44 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.20 2wcf h LYS 2 Cb 1.18 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.39 2wcf h LYS 2 CO 0.41 0.04 -0.03 1.25 -0.00 0.00 0.00 179.45 181.12 2wcf h LEU 3 N 0.06 -0.06 -1.62 7.07 5.85 -1.99 0.21 115.31 124.83 2wcf h LEU 3 Ca 0.56 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 2wcf h LEU 3 Cb 1.12 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2wcf h LEU 3 CO -0.83 0.18 0.01 -0.33 -0.34 0.00 0.00 178.44 177.13 2wcf h GLU 4 N -0.31 0.24 -0.20 1.25 5.08 -1.15 0.23 114.58 119.72 2wcf h GLU 4 Ca -0.01 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 2wcf h GLU 4 Cb 0.27 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2wcf h GLU 4 CO 0.01 0.26 -0.62 0.93 -1.00 0.00 0.00 179.01 178.60 2wcf h GLU 5 N 0.24 0.68 -0.39 2.33 5.08 0.16 -2.32 114.58 120.37 2wcf h GLU 5 Ca 0.06 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 2wcf h GLU 5 Cb 0.16 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2wcf h GLU 5 CO 0.00 1.09 0.07 0.45 -1.00 0.00 0.00 179.01 179.62 2wcf h HIS 6 N 0.51 0.68 -0.46 4.33 3.86 -0.07 -2.24 115.15 121.75 2wcf h HIS 6 Ca -0.01 -0.09 0.07 0.00 -1.16 0.00 0.00 60.37 59.18 2wcf h HIS 6 Cb 1.20 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 29.43 2wcf h HIS 6 CO 0.06 0.67 0.11 -0.07 0.86 0.00 0.00 177.93 179.56 2wcf h LEU 7 N 0.49 0.04 0.38 2.43 3.38 -0.48 -1.12 115.31 120.42 2wcf h LEU 7 Ca 0.12 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2wcf h LEU 7 Cb 0.36 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2wcf h LEU 7 CO 0.01 0.05 -0.18 -0.08 0.09 0.00 0.00 178.44 178.33 2wcf h GLU 8 N 0.25 -0.49 -1.24 1.13 4.81 -1.44 0.20 114.58 117.80 2wcf h GLU 8 Ca 0.23 0.03 0.36 0.00 -0.13 0.00 0.00 59.36 59.85 2wcf h GLU 8 Cb 0.28 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 2wcf h GLU 8 CO -0.29 -0.31 0.86 0.78 -0.73 0.00 0.00 179.01 179.33 2wcf h GLY 9 N -0.54 0.42 0.41 1.92 0.00 -0.97 0.13 103.07 104.44 2wcf h GLY 9 Ca -0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 2wcf h GLY 9 CO 0.09 -0.07 -0.54 -2.22 0.00 0.00 0.00 176.54 173.80 2wcf h ILE 10 N 0.10 1.59 -0.84 2.60 2.04 0.57 -2.57 117.51 121.01 2wcf h ILE 10 Ca 0.63 -2.46 0.11 0.00 1.00 0.00 0.00 64.86 64.14 2wcf h ILE 10 Cb 2.26 3.24 -0.08 0.00 -0.74 0.00 0.00 36.82 41.50 2wcf h ILE 10 CO -0.12 0.67 0.47 0.58 0.00 0.00 0.00 178.15 179.75 2wcf h VAL 11 N -0.62 0.86 -0.34 1.67 2.07 -0.22 0.33 116.25 120.01 2wcf h VAL 11 Ca -0.10 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.22 2wcf h VAL 11 Cb 1.40 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2wcf h VAL 11 CO 0.08 0.14 0.01 -1.13 0.02 0.00 0.00 177.57 176.70 2wcf h ASN 12 N 0.75 -0.11 0.36 0.57 -1.24 -0.70 0.12 115.58 115.34 2wcf h ASN 12 Ca 0.42 0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.48 2wcf h ASN 12 Cb 0.45 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.62 2wcf h ASN 12 CO -0.28 -0.02 -0.17 0.40 -1.29 0.00 0.00 177.43 176.07 2wcf h ILE 13 N 0.11 0.65 -0.92 2.57 1.08 -0.57 0.27 117.51 120.70 2wcf h ILE 13 Ca 0.16 -0.05 0.25 0.00 -0.39 0.00 0.00 64.86 64.83 2wcf h ILE 13 Cb 0.21 0.68 -0.14 0.00 -3.07 0.00 0.00 36.82 34.50 2wcf h ILE 13 CO -0.26 0.01 0.37 0.15 -0.69 0.00 0.00 178.15 177.73 2wcf h PHE 14 N -0.51 0.60 0.00 1.37 3.57 -0.85 0.46 116.94 121.58 2wcf h PHE 14 Ca -0.05 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 2wcf h PHE 14 Cb 0.39 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2wcf h PHE 14 CO -0.04 -0.15 -0.39 0.45 -2.23 0.00 0.00 178.31 175.95 2wcf h HIS 15 N 0.30 0.00 0.00 0.41 3.86 0.21 0.22 115.15 120.16 2wcf h HIS 15 Ca 0.60 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.81 2wcf h HIS 15 Cb 1.24 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.71 2wcf h HIS 15 CO -0.16 0.39 -0.00 1.96 0.86 0.00 0.00 177.93 180.97 2wcf h GLN 16 N 0.00 0.00 0.00 2.45 4.20 0.30 -2.78 115.11 119.29 2wcf h GLN 16 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wcf h GLN 16 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2wcf h GLN 16 CO 0.05 0.00 -0.58 0.66 -0.67 0.00 0.00 178.83 178.29 2wcf n TYR 17 N -3.65 0.60 0.26 2.96 4.02 -0.49 -4.48 117.16 116.39 2wcf n TYR 17 Ca -0.03 0.26 0.09 0.00 -0.01 0.00 0.00 57.90 58.21 2wcf n TYR 17 Cb 0.08 -0.64 0.33 0.00 -0.02 0.00 0.00 39.34 39.09 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 -0.90 0.00 -0.02 7.72 4.64 -0.47 -1.97 113.55 122.54 2wcf h SER 18 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wcf h SER 18 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2wcf h SER 18 CO 0.00 0.00 -0.07 0.52 -0.87 0.00 0.00 176.83 176.41 2wcf n VAL 19 N -2.76 0.00 -0.01 0.95 0.31 -1.06 -4.15 118.33 111.61 2wcf n VAL 19 Ca 0.02 -0.44 -0.05 0.00 -0.01 0.00 0.00 64.34 63.87 2wcf n VAL 19 Cb 0.85 1.36 -0.12 0.00 -0.91 0.00 0.00 33.84 35.02 2wcf n VAL 19 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wcf n ARG 20 N 1.02 0.63 -4.25 5.55 1.74 -0.74 -4.97 116.66 115.65 2wcf n ARG 20 Ca 0.14 0.22 -0.16 0.00 -0.77 0.00 0.00 57.85 57.28 2wcf n ARG 20 Cb 0.56 -1.76 -0.09 0.00 -1.02 0.00 0.00 32.46 30.15 2wcf n ARG 20 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wcf s LYS 21 N -2.73 1.49 0.65 5.56 1.02 -1.26 -5.10 119.74 119.37 2wcf s LYS 21 Ca -0.05 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.11 2wcf s LYS 21 Cb 0.08 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 2wcf s LYS 21 CO 0.82 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 2wcf n GLY 22 N -0.46 2.59 3.90 -3.33 0.00 -1.26 -4.41 105.19 102.22 2wcf n GLY 22 Ca 0.05 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2wcf n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wcf s HIS 23 N 0.00 3.47 -0.02 1.61 5.65 -1.26 -5.01 115.29 119.73 2wcf s HIS 23 Ca 0.00 0.63 0.12 0.00 0.25 0.00 0.00 55.06 56.05 2wcf s HIS 23 Cb 0.00 -2.08 -0.14 0.00 -1.18 0.00 0.00 32.58 29.17 2wcf s HIS 23 CO 0.00 0.23 1.10 0.27 -0.65 0.00 0.00 174.74 175.69 2wcf h PHE 24 N 1.91 0.00 -0.32 3.88 -0.00 -1.77 -3.23 116.94 117.40 2wcf h PHE 24 Ca -0.47 0.00 -0.14 0.00 -0.00 0.00 0.00 57.97 57.35 2wcf h PHE 24 Cb 1.19 0.00 -0.08 0.00 -0.00 0.00 0.00 35.95 37.05 2wcf h PHE 24 CO 0.58 0.82 -0.07 -0.40 -0.00 0.00 0.00 178.31 179.24 2wcf n ASP 25 N -3.17 2.70 -3.67 -0.68 3.85 -1.26 -3.73 116.55 110.58 2wcf n ASP 25 Ca -0.05 -3.63 -0.15 0.00 -0.71 0.00 0.00 54.79 50.25 2wcf n ASP 25 Cb 0.90 -0.61 -0.08 0.00 -1.35 0.00 0.00 41.12 39.98 2wcf n ASP 25 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2wcf s THR 26 N -3.17 0.00 0.20 2.12 -4.23 -1.22 -4.60 115.64 104.74 2wcf s THR 26 Ca 0.44 -1.89 -0.13 0.00 -1.18 0.00 0.00 61.69 58.93 2wcf s THR 26 Cb 0.39 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.73 2wcf s THR 26 CO 0.01 0.00 0.42 -1.48 -0.54 0.00 0.00 174.62 173.03 2wcf s LEU 27 N -3.25 0.48 0.56 4.79 2.34 -0.65 -4.49 118.68 118.46 2wcf s LEU 27 Ca 0.37 -0.75 -0.18 0.00 0.06 0.00 0.00 54.13 53.64 2wcf s LEU 27 Cb 0.03 1.68 -0.05 0.00 -0.56 0.00 0.00 46.19 47.29 2wcf s LEU 27 CO 0.20 -1.01 1.07 -0.94 -1.06 0.00 0.00 176.35 174.60 2wcf s SER 28 N -2.95 5.88 0.32 1.48 1.04 -1.26 0.67 113.70 118.89 2wcf s SER 28 Ca 0.16 1.92 0.02 0.00 0.48 0.00 0.00 55.95 58.53 2wcf s SER 28 Cb 0.01 -2.55 0.54 0.00 0.10 0.00 0.00 66.02 64.12 2wcf s SER 28 CO 0.01 -1.10 1.89 0.11 0.98 0.00 0.00 173.24 175.14 2wcf h LYS 29 N 0.86 0.70 -0.24 4.02 1.57 -0.61 0.15 116.57 123.02 2wcf h LYS 29 Ca -0.48 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.24 2wcf h LYS 29 Cb 1.23 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.36 2wcf h LYS 29 CO 0.57 0.62 -0.15 0.78 -0.57 0.00 0.00 179.45 180.70 2wcf h GLY 30 N 0.87 0.03 0.77 3.86 0.00 -1.61 0.25 103.07 107.25 2wcf h GLY 30 Ca 0.16 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.70 2wcf h GLY 30 CO -0.01 -0.16 -0.03 0.83 0.00 0.00 0.00 176.54 177.17 2wcf h GLU 31 N -0.13 -0.01 -0.77 4.80 5.08 -1.48 -1.40 114.58 120.65 2wcf h GLU 31 Ca 0.13 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.67 2wcf h GLU 31 Cb 0.34 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.45 2wcf h GLU 31 CO -0.32 -0.01 -0.00 1.25 -1.00 0.00 0.00 179.01 178.92 2wcf h LEU 32 N -0.01 -0.38 -1.14 1.33 5.85 0.30 0.90 115.31 122.16 2wcf h LEU 32 Ca 0.05 0.20 0.03 0.00 0.84 0.00 0.00 57.88 59.01 2wcf h LEU 32 Cb 0.09 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 2wcf h LEU 32 CO -0.12 -0.19 0.59 0.50 -0.34 0.00 0.00 178.44 178.88 2wcf h LYS 33 N 0.09 1.09 -0.22 1.25 3.64 -0.20 0.47 116.57 122.69 2wcf h LYS 33 Ca 0.42 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 2wcf h LYS 33 Cb 0.75 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2wcf h LYS 33 CO -0.69 0.72 -0.16 1.96 -2.27 0.00 0.00 179.45 179.01 2wcf h GLN 34 N 1.12 0.49 -0.71 1.90 4.20 0.17 -1.61 115.11 120.68 2wcf h GLN 34 Ca 0.35 -0.24 0.15 0.00 0.06 0.00 0.00 58.65 58.98 2wcf h GLN 34 Cb 0.01 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.68 2wcf h GLN 34 CO -0.10 0.80 0.11 1.25 -0.67 0.00 0.00 178.83 180.21 2wcf h LEU 35 N 0.18 -0.11 -0.01 1.46 6.46 0.71 -2.13 115.31 121.88 2wcf h LEU 35 Ca 0.04 0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2wcf h LEU 35 Cb 0.68 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 2wcf h LEU 35 CO 0.04 -0.08 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.70 2wcf h LEU 36 N 0.20 0.02 -0.98 2.25 3.38 -0.70 0.13 115.31 119.62 2wcf h LEU 36 Ca 0.39 -0.51 0.31 0.00 0.09 0.00 0.00 57.88 58.16 2wcf h LEU 36 Cb 0.66 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.26 2wcf h LEU 36 CO -0.54 0.53 0.48 0.74 0.09 0.00 0.00 178.44 179.75 2wcf h THR 37 N -0.48 0.26 0.03 0.22 2.02 -0.89 0.17 112.91 114.23 2wcf h THR 37 Ca 0.00 -0.09 -0.26 0.00 0.77 0.00 0.00 66.41 66.84 2wcf h THR 37 Cb 0.52 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2wcf h THR 37 CO 0.00 0.05 -1.39 0.50 0.37 0.00 0.00 175.52 175.05 2wcf h LYS 38 N 0.26 0.05 0.00 6.66 3.64 -1.08 -3.22 116.57 122.89 2wcf h LYS 38 Ca 0.71 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.83 2wcf h LYS 38 Cb 1.60 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.43 2wcf h LYS 38 CO -0.64 1.04 -0.98 0.93 -2.27 0.00 0.00 179.45 177.54 2wcf h GLU 39 N -0.79 0.00 -0.68 1.90 4.39 -0.31 -3.17 114.58 115.93 2wcf h GLU 39 Ca -0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2wcf h GLU 39 Cb 1.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 2wcf h GLU 39 CO -0.15 0.52 0.00 1.28 -1.16 0.00 0.00 179.01 179.50 2wcf n LEU 40 N -3.12 4.32 -0.39 1.33 4.77 0.54 -4.84 117.00 119.61 2wcf n LEU 40 Ca -0.04 -2.23 -0.05 0.00 -0.03 0.00 0.00 56.01 53.66 2wcf n LEU 40 Cb 0.83 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2wcf n LEU 40 CO 0.43 0.89 0.52 0.00 -1.33 0.00 0.00 177.39 177.90 2wcf n ALA 41 N 1.33 -0.35 -0.06 -1.18 0.00 -1.20 -0.12 120.51 118.93 2wcf n ALA 41 Ca 0.25 0.90 -0.15 0.00 0.00 0.00 0.00 53.44 54.44 2wcf n ALA 41 Cb 0.75 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 2wcf n ALA 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wcf h ASN 42 N 0.00 0.76 -0.99 0.00 2.35 -1.88 0.23 115.58 116.06 2wcf h ASN 42 Ca 0.26 -0.55 0.23 0.00 -0.55 0.00 0.00 56.30 55.68 2wcf h ASN 42 Cb 0.50 -0.22 -0.12 0.00 0.05 0.00 0.00 38.32 38.53 2wcf h ASN 42 CO -0.94 1.18 0.58 0.74 -1.65 0.00 0.00 177.43 177.34 2wcf h THR 43 N 0.38 0.57 0.57 2.81 2.02 -1.18 0.99 112.91 119.07 2wcf h THR 43 Ca 0.00 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 2wcf h THR 43 Cb 1.06 -0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2wcf h THR 43 CO 0.10 0.11 -0.27 0.40 0.37 0.00 0.00 175.52 176.23 2wcf h ILE 44 N 0.60 0.29 0.00 3.11 2.04 0.11 -1.79 117.51 121.88 2wcf h ILE 44 Ca 0.62 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 66.13 2wcf h ILE 44 Cb 1.14 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2wcf h ILE 44 CO -0.46 0.04 0.00 1.17 0.00 0.00 0.00 178.15 178.90 2wcf n LYS 45 N -5.32 0.00 -0.18 2.37 3.00 0.76 -1.01 118.16 117.78 2wcf n LYS 45 Ca -0.11 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.25 2wcf n LYS 45 Cb 0.34 -1.36 0.14 0.00 0.00 0.00 0.00 35.03 34.14 2wcf n LYS 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2wcf n ASN 46 N -0.79 2.84 -4.33 3.14 3.02 0.18 -4.95 115.26 114.37 2wcf n ASN 46 Ca 0.00 -2.37 -0.38 0.00 -0.03 0.00 0.00 54.58 51.80 2wcf n ASN 46 Cb 0.00 -0.27 -0.12 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.65 4.10 0.27 2.41 1.01 -0.18 -4.40 121.20 122.75 2wcf s ILE 47 Ca 0.23 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 60.02 2wcf s ILE 47 Cb 0.16 -3.23 0.06 0.00 0.01 0.00 0.00 42.46 39.46 2wcf s ILE 47 CO 0.09 -0.09 1.70 0.07 0.00 0.00 0.00 174.94 176.70 2wcf h LYS 48 N 8.29 0.53 -5.83 2.79 5.09 -1.89 -3.37 116.57 122.18 2wcf h LYS 48 Ca -0.27 -0.21 -0.61 0.00 0.09 0.00 0.00 60.65 59.65 2wcf h LYS 48 Cb 1.11 -0.03 -0.12 0.00 0.10 0.00 0.00 32.23 33.29 2wcf h LYS 48 CO 0.62 0.75 1.17 0.34 -2.09 0.00 0.00 179.45 180.23 2wcf s ASP 49 N -6.80 6.43 0.00 7.07 3.68 -1.26 -4.86 116.67 120.93 2wcf s ASP 49 Ca -0.07 -1.36 0.04 0.00 2.13 0.00 0.00 52.55 53.29 2wcf s ASP 49 Cb 0.14 -2.51 0.26 0.00 -1.45 0.00 0.00 42.92 39.36 2wcf s ASP 49 CO 0.80 -1.46 0.64 0.29 0.13 0.00 0.00 175.17 175.57 2wcf n LYS 50 N 8.31 0.21 0.00 4.34 4.76 -1.26 -2.01 118.16 132.51 2wcf n LYS 50 Ca 0.22 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.77 2wcf n LYS 50 Cb 0.50 -1.33 0.03 0.00 -1.84 0.00 0.00 35.03 32.38 2wcf n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wcf n ALA 51 N -0.83 3.72 -0.04 7.82 0.00 -1.26 -3.44 120.51 126.47 2wcf n ALA 51 Ca 0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.75 2wcf n ALA 51 Cb 0.02 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 2wcf n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wcf h VAL 52 N 1.80 1.52 0.06 0.00 2.07 -1.82 -2.20 116.25 117.69 2wcf h VAL 52 Ca 0.00 -1.89 -0.00 0.00 0.82 0.00 0.00 66.70 65.63 2wcf h VAL 52 Cb 0.68 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 2wcf h VAL 52 CO 0.00 0.47 -0.03 0.40 0.02 0.00 0.00 177.57 178.43 2wcf h ILE 53 N -0.87 1.12 -0.71 4.57 2.04 -1.77 -3.07 117.51 118.82 2wcf h ILE 53 Ca -0.00 -0.60 0.13 0.00 1.00 0.00 0.00 64.86 65.38 2wcf h ILE 53 Cb 0.79 1.51 -0.13 0.00 -0.74 0.00 0.00 36.82 38.25 2wcf h ILE 53 CO 0.00 0.15 -0.30 -0.78 0.00 0.00 0.00 178.15 177.22 2wcf h ASP 54 N -0.35 -1.08 -0.74 1.72 1.82 -1.57 0.59 116.42 116.80 2wcf h ASP 54 Ca -0.01 0.24 0.06 0.00 -0.39 0.00 0.00 57.03 56.93 2wcf h ASP 54 Cb 0.31 0.58 -0.06 0.00 0.68 0.00 0.00 39.33 40.84 2wcf h ASP 54 CO 0.01 -0.29 0.43 -0.08 -1.61 0.00 0.00 179.24 177.71 2wcf h GLU 55 N -0.09 0.78 -0.44 0.28 4.81 -1.45 0.20 114.58 118.67 2wcf h GLU 55 Ca 0.29 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2wcf h GLU 55 Cb 0.56 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2wcf h GLU 55 CO -0.76 0.51 0.13 0.82 -0.73 0.00 0.00 179.01 178.98 2wcf h ILE 56 N 0.80 1.22 -0.59 2.32 2.04 -0.25 0.11 117.51 123.16 2wcf h ILE 56 Ca 0.32 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 2wcf h ILE 56 Cb 0.17 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2wcf h ILE 56 CO -0.17 0.27 0.04 -0.26 0.00 0.00 0.00 178.15 178.03 2wcf h PHE 57 N 0.58 1.10 -0.64 1.37 -1.00 0.14 0.10 116.94 118.60 2wcf h PHE 57 Ca 0.14 -0.18 0.13 0.00 2.81 0.00 0.00 57.97 60.87 2wcf h PHE 57 Cb 0.28 -0.29 -0.10 0.00 3.61 0.00 0.00 35.95 39.45 2wcf h PHE 57 CO 0.01 0.97 0.11 1.96 -1.61 0.00 0.00 178.31 179.75 2wcf h GLN 58 N 0.92 0.22 -0.27 1.51 7.50 -0.39 0.38 115.11 124.98 2wcf h GLN 58 Ca 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.30 2wcf h GLN 58 Cb 0.50 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.97 2wcf h GLN 58 CO 0.02 0.14 0.13 0.78 -1.50 0.00 0.00 178.83 178.41 2wcf h GLY 59 N 0.22 0.41 1.00 3.46 0.00 0.92 0.42 103.07 109.50 2wcf h GLY 59 Ca 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 2wcf h GLY 59 CO -0.46 0.19 0.26 1.41 0.00 0.00 0.00 176.54 177.93 2wcf h LEU 60 N 0.30 0.86 -0.45 3.11 3.38 -0.53 -2.16 115.31 119.82 2wcf h LEU 60 Ca 0.09 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2wcf h LEU 60 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wcf h LEU 60 CO -0.01 0.79 0.10 0.44 0.09 0.00 0.00 178.44 179.85 2wcf h ASP 61 N 0.87 0.70 0.10 -0.43 3.32 0.24 0.41 116.42 121.64 2wcf h ASP 61 Ca 0.21 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2wcf h ASP 61 Cb 0.19 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 2wcf h ASP 61 CO -0.02 0.76 -0.03 0.00 -1.72 0.00 0.00 179.24 178.23 2wcf h ALA 62 N 0.96 1.44 -0.88 3.45 0.00 0.40 -2.38 119.26 122.26 2wcf h ALA 62 Ca 0.14 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.65 2wcf h ALA 62 Cb 0.34 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.72 2wcf h ALA 62 CO 0.00 0.04 -1.08 0.09 0.00 0.00 0.00 179.25 178.31 2wcf n ASN 63 N -3.77 2.23 0.29 0.00 5.03 -0.87 -4.98 115.26 113.19 2wcf n ASN 63 Ca -0.03 -2.73 0.04 0.00 0.87 0.00 0.00 54.58 52.74 2wcf n ASN 63 Cb 0.13 -0.49 0.15 0.00 -1.02 0.00 0.00 39.78 38.55 2wcf n ASN 63 CO 0.00 0.00 0.00 0.06 -1.83 0.00 0.00 177.26 175.49 2wcf h GLN 64 N 2.75 0.00 0.00 3.52 3.07 0.38 -1.33 115.11 123.50 2wcf h GLN 64 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2wcf h GLN 64 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 2wcf h GLN 64 CO 0.47 0.00 -0.65 -0.44 0.09 0.00 0.00 178.83 178.31 2wcf h ASP 65 N 0.00 0.00 -3.97 0.06 3.32 -1.89 -2.15 116.42 111.79 2wcf h ASP 65 Ca 0.04 -0.11 -0.48 0.00 0.02 0.00 0.00 57.03 56.49 2wcf h ASP 65 Cb 1.87 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.44 2wcf h ASP 65 CO -0.00 0.06 0.41 -0.70 -1.72 0.00 0.00 179.24 177.28 2wcf s GLU 66 N -3.23 4.15 -0.22 3.56 2.12 -0.50 -4.73 118.70 119.86 2wcf s GLU 66 Ca 0.04 1.50 -0.10 0.00 0.36 0.00 0.00 54.97 56.77 2wcf s GLU 66 Cb 0.11 -2.52 -0.05 0.00 0.26 0.00 0.00 34.13 31.93 2wcf s GLU 66 CO 0.73 -0.15 0.15 -0.65 -0.54 0.00 0.00 175.26 174.81 2wcf s GLN 67 N -2.54 4.14 0.09 4.30 -1.52 -1.26 -0.49 119.66 122.38 2wcf s GLN 67 Ca 0.58 -0.23 0.07 0.00 -1.95 0.00 0.00 55.36 53.84 2wcf s GLN 67 Cb -0.21 -3.47 -0.03 0.00 -0.22 0.00 0.00 33.01 29.07 2wcf s GLN 67 CO 0.27 0.19 -0.19 0.14 -0.25 0.00 0.00 175.29 175.45 2wcf s VAL 68 N 0.68 1.55 0.00 1.09 -7.23 0.21 -4.91 120.40 111.79 2wcf s VAL 68 Ca 0.08 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2wcf s VAL 68 Cb -0.12 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.40 2wcf s VAL 68 CO 0.01 -0.07 0.00 -0.90 -0.31 0.00 0.00 175.10 173.83 2wcf n ASP 69 N 1.24 0.00 -0.26 4.85 5.68 -1.26 -1.64 116.55 125.15 2wcf n ASP 69 Ca -0.20 -0.98 0.12 0.00 -0.50 0.00 0.00 54.79 53.24 2wcf n ASP 69 Cb 0.54 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.90 2wcf n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2wcf h PHE 70 N -0.09 0.79 -0.37 2.11 3.57 -2.00 -2.32 116.94 118.64 2wcf h PHE 70 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2wcf h PHE 70 Cb 0.00 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 2wcf h PHE 70 CO 0.00 0.29 0.15 1.96 -2.23 0.00 0.00 178.31 178.48 2wcf h GLN 71 N 0.67 0.55 0.93 1.11 1.08 -1.99 0.12 115.11 117.58 2wcf h GLN 71 Ca 0.44 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 57.50 2wcf h GLN 71 Cb 0.73 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 2wcf h GLN 71 CO -0.20 0.52 -0.49 1.49 -0.95 0.00 0.00 178.83 179.20 2wcf h GLU 72 N 0.45 -1.26 -0.95 1.46 4.57 -1.80 -1.25 114.58 115.80 2wcf h GLU 72 Ca 0.12 0.09 0.09 0.00 -1.18 0.00 0.00 59.36 58.48 2wcf h GLU 72 Cb 0.18 0.29 -0.12 0.00 -0.16 0.00 0.00 28.75 28.94 2wcf h GLU 72 CO -0.01 -0.84 -0.58 0.35 -1.18 0.00 0.00 179.01 176.74 2wcf h PHE 73 N -1.31 -1.87 -0.27 0.92 3.57 -1.33 -0.53 116.94 116.12 2wcf h PHE 73 Ca -0.13 0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2wcf h PHE 73 Cb 1.02 0.94 -0.02 0.00 2.79 0.00 0.00 35.95 40.69 2wcf h PHE 73 CO -0.04 -0.38 -0.09 0.97 -2.23 0.00 0.00 178.31 176.53 2wcf h ILE 74 N -0.03 1.21 0.00 1.41 6.09 -0.00 0.99 117.51 127.18 2wcf h ILE 74 Ca 0.16 -0.89 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 2wcf h ILE 74 Cb 0.43 1.11 0.00 0.00 0.47 0.00 0.00 36.82 38.83 2wcf h ILE 74 CO -0.91 0.29 -0.21 0.77 -3.07 0.00 0.00 178.15 175.02 2wcf h SER 75 N 0.41 0.00 -0.10 2.19 4.64 -0.04 0.20 113.55 120.86 2wcf h SER 75 Ca 0.08 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 2wcf h SER 75 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2wcf h SER 75 CO 0.02 0.01 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.71 2wcf h LEU 76 N 0.00 0.36 -0.66 5.97 3.38 0.62 -2.93 115.31 122.04 2wcf h LEU 76 Ca 0.00 -0.57 0.13 0.00 0.09 0.00 0.00 57.88 57.53 2wcf h LEU 76 Cb 0.91 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.43 2wcf h LEU 76 CO 0.00 0.86 -0.19 0.58 0.09 0.00 0.00 178.44 179.79 2wcf h VAL 77 N -0.14 0.31 -0.90 1.22 2.07 -0.95 0.15 116.25 118.02 2wcf h VAL 77 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2wcf h VAL 77 Cb 0.81 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 2wcf h VAL 77 CO 0.05 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.22 2wcf h ALA 78 N 1.59 1.68 0.48 1.67 0.00 -0.86 0.73 119.26 124.54 2wcf h ALA 78 Ca 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2wcf h ALA 78 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wcf h ALA 78 CO -0.69 0.12 -0.23 0.82 0.00 0.00 0.00 179.25 179.27 2wcf h ILE 79 N 0.84 0.00 -0.95 0.00 2.04 -0.54 -1.83 117.51 117.07 2wcf h ILE 79 Ca 0.43 -0.24 0.16 0.00 1.00 0.00 0.00 64.86 66.21 2wcf h ILE 79 Cb 0.49 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.41 2wcf h ILE 79 CO -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.63 2wcf n ALA 80 N -2.50 -0.00 -0.08 1.87 0.00 -0.83 -0.69 120.51 118.28 2wcf n ALA 80 Ca -0.08 0.98 -0.07 0.00 0.00 0.00 0.00 53.44 54.28 2wcf n ALA 80 Cb 0.25 -0.49 -0.00 0.00 0.00 0.00 0.00 19.45 19.21 2wcf n ALA 80 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wcf h LEU 81 N 0.00 -0.63 -0.56 0.00 3.38 -0.69 -0.76 115.31 116.04 2wcf h LEU 81 Ca 0.37 0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.55 2wcf h LEU 81 Cb 0.61 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 2wcf h LEU 81 CO -0.96 -0.23 0.25 0.50 0.09 0.00 0.00 178.44 178.09 2wcf h LYS 82 N -0.15 0.45 -0.29 1.13 3.64 -0.03 0.59 116.57 121.91 2wcf h LYS 82 Ca 0.16 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2wcf h LYS 82 Cb 0.40 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2wcf h LYS 82 CO -0.41 0.30 0.03 0.00 -2.27 0.00 0.00 179.45 177.10 2wcf h ALA 83 N 1.34 1.51 -0.19 5.00 0.00 -0.62 -1.84 119.26 124.46 2wcf h ALA 83 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wcf h ALA 83 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wcf h ALA 83 CO -0.23 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2wcf n ALA 84 N -2.48 2.91 -3.34 0.00 0.00 -0.35 -4.25 120.51 113.00 2wcf n ALA 84 Ca 0.01 -0.61 -0.24 0.00 0.00 0.00 0.00 53.44 52.60 2wcf n ALA 84 Cb 0.20 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 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 0.21 -1.02 -1.49 0.00 -0.00 -0.69 -0.07 115.22 112.15 2wcf n HIS 85 Ca 0.09 0.39 -0.04 0.00 -0.00 0.00 0.00 57.72 58.16 2wcf n HIS 85 Cb 0.53 -1.23 -0.01 0.00 -0.00 0.00 0.00 29.99 29.28 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 -2.84 -0.07 -3.07 4.41 4.01 0.11 -4.99 117.16 114.72 2wcf n TYR 86 Ca 0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.39 2wcf n TYR 86 Cb 0.34 -1.26 -0.06 0.00 -0.31 0.00 0.00 39.34 38.06 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 -2.17 3.14 -0.19 -0.72 3.76 0.90 -4.90 115.29 115.11 2wcf s HIS 87 Ca 0.00 0.41 0.15 0.00 -0.15 0.00 0.00 55.06 55.48 2wcf s HIS 87 Cb 0.00 -3.20 0.45 0.00 1.11 0.00 0.00 32.58 30.94 2wcf s HIS 87 CO 0.00 -0.65 1.18 0.25 -0.85 0.00 0.00 174.74 174.67 2wcf n THR 88 N 5.63 1.64 -4.28 1.30 -2.24 -1.26 -4.16 114.28 110.92 2wcf n THR 88 Ca -0.00 -2.95 -0.18 0.00 -2.27 0.00 0.00 64.05 58.65 2wcf n THR 88 Cb 0.48 0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.66 2wcf n THR 88 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2wcf s HIS 89 N -2.71 1.07 -0.97 4.78 3.76 -1.26 -4.82 115.29 115.14 2wcf s HIS 89 Ca 0.39 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 2wcf s HIS 89 Cb 0.38 -0.63 0.00 0.00 1.11 0.00 0.00 32.58 33.43 2wcf s HIS 89 CO -0.06 0.01 0.24 0.36 -0.85 0.00 0.00 174.74 174.45