#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfp h SER 1 N 0.00 0.00 -1.81 6.12 4.64 -2.03 -3.33 113.55 117.15 1cfp h SER 1 Ca 0.00 -0.16 0.52 0.00 -0.47 0.00 0.00 61.79 61.68 1cfp h SER 1 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1cfp h SER 1 CO 0.00 0.73 1.31 -0.33 -0.87 0.00 0.00 176.83 177.68 1cfp h GLU 2 N -1.00 0.00 0.00 4.77 3.07 -2.03 0.31 114.58 119.70 1cfp h GLU 2 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1cfp h GLU 2 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1cfp h GLU 2 CO -0.02 0.00 0.00 -0.11 -1.40 0.00 0.00 179.01 177.48 1cfp n LEU 3 N -3.96 0.00 -0.17 1.33 7.94 -1.25 -1.15 117.00 119.74 1cfp n LEU 3 Ca 0.40 0.20 -0.05 0.00 -1.11 0.00 0.00 56.01 55.46 1cfp n LEU 3 Cb 1.86 0.00 0.04 0.00 0.53 0.00 0.00 43.42 45.86 1cfp n LEU 3 CO 0.43 0.00 1.04 -0.33 -1.11 0.00 0.00 177.39 177.42 1cfp h GLU 4 N 0.00 0.53 -0.86 1.96 4.39 -1.63 0.14 114.58 119.11 1cfp h GLU 4 Ca 0.00 -0.03 0.25 0.00 0.34 0.00 0.00 59.36 59.92 1cfp h GLU 4 Cb 0.00 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 1cfp h GLU 4 CO 0.00 0.35 0.84 0.87 -1.16 0.00 0.00 179.01 179.91 1cfp h LYS 5 N 0.54 0.00 -0.73 2.33 1.79 -0.48 2.33 116.57 122.36 1cfp h LYS 5 Ca 0.21 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1cfp h LYS 5 Cb 0.08 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 1cfp h LYS 5 CO -0.13 0.00 0.47 0.00 -1.08 0.00 0.00 179.45 178.72 1cfp h ALA 6 N 1.12 0.93 0.15 3.86 0.00 0.85 -0.85 119.26 125.31 1cfp h ALA 6 Ca 0.41 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1cfp h ALA 6 Cb 2.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1cfp h ALA 6 CO -0.00 0.31 -0.18 -0.24 0.00 0.00 0.00 179.25 179.14 1cfp h VAL 7 N 0.96 0.60 -0.19 0.00 3.04 0.39 0.42 116.25 121.46 1cfp h VAL 7 Ca 0.27 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 66.02 1cfp h VAL 7 Cb -0.07 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 29.80 1cfp h VAL 7 CO -0.07 0.00 0.49 0.58 -1.01 0.00 0.00 177.57 177.56 1cfp h VAL 8 N -0.37 0.12 0.00 1.51 2.07 -0.94 0.14 116.25 118.78 1cfp h VAL 8 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1cfp h VAL 8 Cb 0.37 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1cfp h VAL 8 CO -0.07 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 177.13 1cfp h ALA 9 N 1.20 0.00 -0.75 1.67 0.00 0.78 -3.32 119.26 118.84 1cfp h ALA 9 Ca 0.09 -0.43 0.15 0.00 0.00 0.00 0.00 54.91 54.72 1cfp h ALA 9 Cb 1.07 0.40 -0.14 0.00 0.00 0.00 0.00 17.79 19.12 1cfp h ALA 9 CO -0.00 0.40 -0.17 -0.07 0.00 0.00 0.00 179.25 179.41 1cfp h LEU 10 N -0.85 -0.66 -0.91 0.00 3.38 0.26 0.54 115.31 117.06 1cfp h LEU 10 Ca 0.00 0.22 0.26 0.00 0.09 0.00 0.00 57.88 58.45 1cfp h LEU 10 Cb 0.40 0.45 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 1cfp h LEU 10 CO 0.00 -0.24 0.28 0.16 0.09 0.00 0.00 178.44 178.73 1cfp h ILE 11 N 0.01 0.28 -0.87 1.22 -0.00 -0.92 2.78 117.51 120.00 1cfp h ILE 11 Ca 0.37 -0.07 0.03 0.00 -0.00 0.00 0.00 64.86 65.18 1cfp h ILE 11 Cb 0.57 0.06 -0.05 0.00 -0.00 0.00 0.00 36.82 37.40 1cfp h ILE 11 CO -0.76 0.04 0.57 -0.78 -0.00 0.00 0.00 178.15 177.22 1cfp h ASP 12 N 0.20 0.95 -0.15 2.16 1.82 -0.03 -1.54 116.42 119.84 1cfp h ASP 12 Ca 0.60 -0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 57.12 1cfp h ASP 12 Cb 1.25 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.04 1cfp h ASP 12 CO -0.67 0.67 -0.29 0.58 -1.61 0.00 0.00 179.24 177.91 1cfp h VAL 13 N 1.12 1.36 -0.68 2.25 2.07 0.48 -2.94 116.25 119.91 1cfp h VAL 13 Ca 0.33 -1.54 0.15 0.00 0.82 0.00 0.00 66.70 66.46 1cfp h VAL 13 Cb -0.03 1.98 -0.12 0.00 -1.52 0.00 0.00 31.29 31.60 1cfp h VAL 13 CO -0.09 0.46 -0.01 -0.26 0.02 0.00 0.00 177.57 177.69 1cfp h PHE 14 N 0.09 -0.07 -0.78 1.57 0.04 0.17 1.32 116.94 119.27 1cfp h PHE 14 Ca 0.01 0.05 0.17 0.00 2.80 0.00 0.00 57.97 61.00 1cfp h PHE 14 Cb 0.88 0.14 -0.11 0.00 2.20 0.00 0.00 35.95 39.06 1cfp h PHE 14 CO 0.10 -0.21 0.25 1.25 -0.60 0.00 0.00 178.31 179.10 1cfp h HIS 15 N 0.10 0.40 0.00 -0.55 2.76 -1.22 -1.97 115.15 114.67 1cfp h HIS 15 Ca 0.36 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1cfp h HIS 15 Cb 0.60 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.51 1cfp h HIS 15 CO -0.40 -0.06 0.00 1.04 -1.30 0.00 0.00 177.93 177.21 1cfp n GLN 16 N -5.11 0.00 -0.03 5.26 1.13 0.39 -1.25 117.38 117.77 1cfp n GLN 16 Ca 0.16 0.43 -0.01 0.00 -1.94 0.00 0.00 57.00 55.64 1cfp n GLN 16 Cb 0.50 -1.07 -0.01 0.00 0.11 0.00 0.00 30.24 29.77 1cfp n GLN 16 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1cfp n TYR 17 N -1.78 -0.03 1.44 1.08 4.02 0.22 0.33 117.16 122.42 1cfp n TYR 17 Ca 0.00 0.09 0.15 0.00 -0.01 0.00 0.00 57.90 58.13 1cfp n TYR 17 Cb 0.00 -0.37 0.76 0.00 -0.02 0.00 0.00 39.34 39.72 1cfp n TYR 17 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1cfp n SER 18 N -2.92 0.00 -0.22 7.72 7.64 -0.75 -3.26 113.62 121.83 1cfp n SER 18 Ca 0.00 -0.16 0.09 0.00 1.01 0.00 0.00 58.87 59.82 1cfp n SER 18 Cb 0.02 -0.28 0.15 0.00 -1.01 0.00 0.00 64.21 63.09 1cfp n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cfp n GLY 19 N 1.28 4.63 0.02 0.23 0.00 0.31 -3.29 105.19 108.37 1cfp n GLY 19 Ca 0.14 -1.06 0.01 0.00 0.00 0.00 0.00 46.02 45.12 1cfp n GLY 19 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1cfp n ARG 20 N -1.21 2.47 0.00 1.61 1.85 0.98 -4.73 116.66 117.63 1cfp n ARG 20 Ca 0.16 -1.53 0.00 0.00 -1.00 0.00 0.00 57.85 55.48 1cfp n ARG 20 Cb 0.66 -1.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.07 1cfp n ARG 20 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1cfp n GLU 21 N -0.56 0.45 0.00 2.89 2.13 -1.26 -5.02 120.64 119.27 1cfp n GLU 21 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1cfp n GLU 21 Cb 0.33 -0.62 0.00 0.00 0.27 0.00 0.00 31.44 31.42 1cfp n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cfp n GLY 22 N 1.58 -0.72 3.04 8.31 0.00 -1.26 -5.14 105.19 110.99 1cfp n GLY 22 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 1cfp n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cfp n ASP 23 N 0.00 -2.70 0.00 1.61 -0.08 -1.25 -4.89 116.55 109.25 1cfp n ASP 23 Ca 0.00 -0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1cfp n ASP 23 Cb 0.00 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 42.80 1cfp n ASP 23 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cfp n LYS 24 N 0.59 0.00 -3.05 -0.67 5.02 -1.21 -4.08 118.16 114.76 1cfp n LYS 24 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1cfp n LYS 24 Cb 0.56 -0.16 -0.02 0.00 -0.02 0.00 0.00 35.03 35.38 1cfp n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1cfp n HIS 25 N -0.31 0.89 -3.41 2.13 8.25 -1.26 -2.59 115.22 118.91 1cfp n HIS 25 Ca 0.00 -3.65 -0.10 0.00 -0.26 0.00 0.00 57.72 53.71 1cfp n HIS 25 Cb 0.00 -0.41 -0.09 0.00 1.12 0.00 0.00 29.99 30.61 1cfp n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1cfp s LYS 26 N -2.70 0.32 0.73 -0.41 3.01 -1.26 -4.61 119.74 114.82 1cfp s LYS 26 Ca 0.39 0.55 -0.03 0.00 -1.01 0.00 0.00 55.97 55.87 1cfp s LYS 26 Cb 0.36 -0.47 0.12 0.00 -1.01 0.00 0.00 37.83 36.83 1cfp s LYS 26 CO -0.07 -0.59 1.02 -0.51 0.51 0.00 0.00 175.35 175.71 1cfp s LEU 27 N 2.52 2.95 0.22 3.17 1.02 -0.93 -4.86 118.68 122.76 1cfp s LEU 27 Ca 0.10 -0.15 0.08 0.00 0.02 0.00 0.00 54.13 54.18 1cfp s LEU 27 Cb -0.15 -2.24 -0.05 0.00 0.02 0.00 0.00 46.19 43.77 1cfp s LEU 27 CO -0.15 -1.88 -0.15 -0.54 0.02 0.00 0.00 176.35 173.65 1cfp s LYS 28 N -5.22 1.38 0.51 1.70 1.02 -1.26 0.11 119.74 117.98 1cfp s LYS 28 Ca 0.66 -1.62 0.42 0.00 0.02 0.00 0.00 55.97 55.45 1cfp s LYS 28 Cb -0.06 -1.21 1.43 0.00 -0.52 0.00 0.00 37.83 37.47 1cfp s LYS 28 CO 0.45 0.20 1.36 1.63 -0.92 0.00 0.00 175.35 178.07 1cfp n LYS 29 N -0.42 0.00 0.03 1.68 5.02 -1.26 -0.18 118.16 123.04 1cfp n LYS 29 Ca -0.07 0.96 -0.04 0.00 -2.02 0.00 0.00 58.31 57.14 1cfp n LYS 29 Cb 0.60 -2.26 -0.02 0.00 -0.02 0.00 0.00 35.03 33.34 1cfp n LYS 29 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1cfp h SER 30 N 0.00 -0.16 -0.84 4.39 0.87 -1.94 -2.85 113.55 113.03 1cfp h SER 30 Ca 0.78 -0.04 0.20 0.00 -1.23 0.00 0.00 61.79 61.50 1cfp h SER 30 Cb 3.28 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 65.22 1cfp h SER 30 CO -0.01 0.34 0.57 -0.08 -0.53 0.00 0.00 176.83 177.12 1cfp h GLU 31 N -1.04 0.29 0.38 2.24 4.22 -0.94 -0.27 114.58 119.45 1cfp h GLU 31 Ca -0.02 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 1cfp h GLU 31 Cb 0.18 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1cfp h GLU 31 CO 0.03 0.19 -0.44 1.25 -2.18 0.00 0.00 179.01 177.86 1cfp h LEU 32 N 0.30 -1.23 -0.80 1.64 5.85 -0.66 -1.37 115.31 119.03 1cfp h LEU 32 Ca 0.43 0.11 0.18 0.00 0.84 0.00 0.00 57.88 59.43 1cfp h LEU 32 Cb 1.20 0.42 -0.15 0.00 0.37 0.00 0.00 40.66 42.50 1cfp h LEU 32 CO -0.12 -0.58 -0.08 0.11 -0.34 0.00 0.00 178.44 177.43 1cfp h LYS 33 N -0.85 0.04 -0.20 1.25 1.79 -0.79 0.38 116.57 118.18 1cfp h LYS 33 Ca -0.03 -0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.49 1cfp h LYS 33 Cb 0.77 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.35 1cfp h LYS 33 CO -0.10 0.03 -0.17 1.49 -1.08 0.00 0.00 179.45 179.62 1cfp h GLU 34 N 0.05 -0.17 -1.04 3.15 4.57 -1.16 0.41 114.58 120.38 1cfp h GLU 34 Ca 0.42 0.01 0.27 0.00 -1.18 0.00 0.00 59.36 58.88 1cfp h GLU 34 Cb 0.73 0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 29.26 1cfp h GLU 34 CO -0.77 -0.11 0.67 1.25 -1.18 0.00 0.00 179.01 178.87 1cfp h LEU 35 N -0.17 0.45 0.02 1.64 6.46 0.79 0.54 115.31 125.04 1cfp h LEU 35 Ca 0.12 0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.83 1cfp h LEU 35 Cb 0.36 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1cfp h LEU 35 CO -0.31 0.09 -0.71 0.40 -0.62 0.00 0.00 178.44 177.28 1cfp h ILE 36 N 0.39 1.34 0.00 4.05 1.08 -0.74 -3.31 117.51 120.33 1cfp h ILE 36 Ca 0.60 -2.29 0.00 0.00 -0.39 0.00 0.00 64.86 62.77 1cfp h ILE 36 Cb 1.50 2.83 0.00 0.00 -3.07 0.00 0.00 36.82 38.09 1cfp h ILE 36 CO -0.30 0.51 0.00 0.78 -0.69 0.00 0.00 178.15 178.45 1cfp h ASN 37 N -0.89 0.00 -0.21 1.72 -0.26 -0.31 2.22 115.58 117.85 1cfp h ASN 37 Ca -0.18 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.38 1cfp h ASN 37 Cb 1.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 1cfp h ASN 37 CO -0.07 0.00 -0.57 0.78 -1.06 0.00 0.00 177.43 176.51 1cfp h ASN 38 N 0.00 0.87 0.00 5.81 2.35 -0.02 -3.32 115.58 121.28 1cfp h ASN 38 Ca 0.00 -0.57 -0.11 0.00 -0.55 0.00 0.00 56.30 55.07 1cfp h ASN 38 Cb 0.08 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1cfp h ASN 38 CO 0.00 1.29 -1.40 1.21 -1.65 0.00 0.00 177.43 176.89 1cfp n GLU 39 N -4.07 2.67 -2.36 0.81 4.07 -0.83 -4.72 120.64 116.21 1cfp n GLU 39 Ca -0.06 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.64 1cfp n GLU 39 Cb 0.64 -1.15 0.03 0.00 -0.06 0.00 0.00 31.44 30.90 1cfp n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1cfp n LEU 40 N -2.28 7.30 -0.25 4.31 4.77 0.74 -4.78 117.00 126.82 1cfp n LEU 40 Ca -0.10 -5.18 0.31 0.00 -0.03 0.00 0.00 56.01 51.01 1cfp n LEU 40 Cb 0.68 -1.10 0.55 0.00 -2.33 0.00 0.00 43.42 41.22 1cfp n LEU 40 CO 0.11 1.95 1.29 -1.28 -1.33 0.00 0.00 177.39 178.13 1cfp h SER 41 N 3.67 0.00 -1.13 -1.43 0.87 -1.67 0.22 113.55 114.07 1cfp h SER 41 Ca 0.54 0.00 0.36 0.00 -1.23 0.00 0.00 61.79 61.45 1cfp h SER 41 Cb 0.22 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.05 1cfp h SER 41 CO 1.26 0.00 0.70 0.45 -0.53 0.00 0.00 176.83 178.71 1cfp h HIS 42 N 0.00 0.71 0.00 2.24 -0.00 -1.90 2.30 115.15 118.50 1cfp h HIS 42 Ca 0.52 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.90 1cfp h HIS 42 Cb 2.77 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 29.99 1cfp h HIS 42 CO 0.00 -0.15 -0.06 0.74 -0.00 0.00 0.00 177.93 178.46 1cfp h PHE 43 N 0.23 0.00 -1.01 2.45 0.04 -0.91 -1.98 116.94 115.77 1cfp h PHE 43 Ca 0.74 0.00 0.24 0.00 2.80 0.00 0.00 57.97 61.75 1cfp h PHE 43 Cb 2.01 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 40.06 1cfp h PHE 43 CO -0.01 0.06 0.63 1.25 -0.60 0.00 0.00 178.31 179.64 1cfp h LEU 44 N 0.00 0.57 0.00 1.54 5.85 0.37 0.62 115.31 124.27 1cfp h LEU 44 Ca -0.00 0.09 -0.23 0.00 0.84 0.00 0.00 57.88 58.59 1cfp h LEU 44 Cb 0.84 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1cfp h LEU 44 CO 0.01 0.15 -1.61 -0.62 -0.34 0.00 0.00 178.44 176.03 1cfp n GLU 45 N -4.70 0.63 -1.23 1.25 -0.58 -1.12 -4.93 120.64 109.96 1cfp n GLU 45 Ca 0.24 0.23 -0.11 0.00 -0.42 0.00 0.00 57.16 57.10 1cfp n GLU 45 Cb 0.75 -1.78 -0.05 0.00 -0.57 0.00 0.00 31.44 29.80 1cfp n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1cfp n GLU 46 N -2.92 -1.50 -0.10 3.49 2.13 0.22 -4.73 120.64 117.21 1cfp n GLU 46 Ca -0.14 0.73 -0.13 0.00 0.66 0.00 0.00 57.16 58.28 1cfp n GLU 46 Cb 0.94 -4.90 -0.11 0.00 0.27 0.00 0.00 31.44 27.63 1cfp n GLU 46 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1cfp n ILE 47 N -1.82 1.23 0.24 6.31 0.00 -1.26 -4.35 119.36 119.72 1cfp n ILE 47 Ca -0.11 -0.57 0.10 0.00 0.00 0.00 0.00 62.75 62.18 1cfp n ILE 47 Cb 0.45 -1.02 0.55 0.00 0.00 0.00 0.00 39.64 39.61 1cfp n ILE 47 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1cfp h LYS 48 N 0.00 0.00 -1.99 9.51 6.56 -1.85 -3.22 116.57 125.58 1cfp h LYS 48 Ca -0.48 0.00 -0.43 0.00 -1.06 0.00 0.00 60.65 58.68 1cfp h LYS 48 Cb 1.86 0.00 -0.32 0.00 -0.57 0.00 0.00 32.23 33.21 1cfp h LYS 48 CO -0.04 0.00 -0.77 -1.83 -2.06 0.00 0.00 179.45 174.75 1cfp s GLU 49 N -3.68 0.80 0.00 3.15 1.03 -1.26 -5.05 118.70 113.69 1cfp s GLU 49 Ca -0.02 -1.39 0.00 0.00 0.03 0.00 0.00 54.97 53.59 1cfp s GLU 49 Cb 0.06 -0.90 0.00 0.00 -0.80 0.00 0.00 34.13 32.48 1cfp s GLU 49 CO 0.18 -1.29 0.44 1.04 -1.33 0.00 0.00 175.26 174.31 1cfp n GLN 50 N 3.49 0.00 -0.33 -4.83 6.02 -1.22 -0.36 117.38 120.16 1cfp n GLN 50 Ca 0.19 0.27 0.26 0.00 -0.01 0.00 0.00 57.00 57.71 1cfp n GLN 50 Cb 0.47 -1.06 0.50 0.00 1.02 0.00 0.00 30.24 31.17 1cfp n GLN 50 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1cfp h GLU 51 N 0.00 0.06 0.00 -1.09 4.81 -1.95 2.23 114.58 118.64 1cfp h GLU 51 Ca 0.00 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1cfp h GLU 51 Cb 0.00 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1cfp h GLU 51 CO 0.00 0.04 -0.36 0.28 -0.73 0.00 0.00 179.01 178.25 1cfp h VAL 52 N 0.07 0.63 0.00 0.32 2.07 -1.96 -2.64 116.25 114.75 1cfp h VAL 52 Ca 0.77 -1.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.36 1cfp h VAL 52 Cb 1.90 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 33.90 1cfp h VAL 52 CO -0.77 0.35 -0.54 0.58 0.02 0.00 0.00 177.57 177.21 1cfp h VAL 53 N 0.00 1.28 -0.10 2.57 2.07 0.64 1.01 116.25 123.72 1cfp h VAL 53 Ca -0.00 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 1cfp h VAL 53 Cb 1.22 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1cfp h VAL 53 CO 0.05 0.53 0.02 -0.78 0.02 0.00 0.00 177.57 177.41 1cfp h ASP 54 N 0.00 0.16 0.35 0.57 3.58 -0.02 -2.05 116.42 119.02 1cfp h ASP 54 Ca -0.01 -0.24 -0.13 0.00 0.42 0.00 0.00 57.03 57.07 1cfp h ASP 54 Cb 1.02 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 1cfp h ASP 54 CO 0.07 0.36 -0.55 0.11 -2.88 0.00 0.00 179.24 176.35 1cfp h LYS 55 N -0.05 0.21 -0.79 0.28 6.56 -1.16 -2.36 116.57 119.26 1cfp h LYS 55 Ca 0.03 -0.13 0.14 0.00 -1.06 0.00 0.00 60.65 59.63 1cfp h LYS 55 Cb 0.26 0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 31.84 1cfp h LYS 55 CO 0.00 0.71 0.37 0.28 -2.06 0.00 0.00 179.45 178.75 1cfp h VAL 56 N 0.16 0.72 0.00 0.50 2.07 0.15 -0.10 116.25 119.75 1cfp h VAL 56 Ca 0.00 -0.19 -0.19 0.00 0.82 0.00 0.00 66.70 67.14 1cfp h VAL 56 Cb 1.02 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1cfp h VAL 56 CO 0.08 0.10 -0.89 0.24 0.02 0.00 0.00 177.57 177.12 1cfp h MET 57 N 0.55 0.00 -0.87 1.57 2.86 -1.22 -2.72 114.93 115.10 1cfp h MET 57 Ca 0.43 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 58.21 1cfp h MET 57 Cb 0.60 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.20 1cfp h MET 57 CO -0.37 0.89 0.56 1.05 1.06 0.00 0.00 176.91 180.11 1cfp h GLU 58 N 0.00 0.62 0.09 1.72 -0.00 -0.48 1.35 114.58 117.88 1cfp h GLU 58 Ca -0.01 -0.04 -0.34 0.00 -0.00 0.00 0.00 59.36 58.97 1cfp h GLU 58 Cb 1.68 -0.14 -0.03 0.00 -0.00 0.00 0.00 28.75 30.26 1cfp h GLU 58 CO 0.12 0.41 -1.91 2.41 -0.00 0.00 0.00 179.01 180.04 1cfp n THR 59 N -4.55 1.74 0.53 -1.06 -1.04 -1.04 -3.99 114.28 104.88 1cfp n THR 59 Ca 0.17 -0.70 0.13 0.00 -2.04 0.00 0.00 64.05 61.61 1cfp n THR 59 Cb 0.48 -1.54 0.43 0.00 -1.82 0.00 0.00 70.33 67.88 1cfp n THR 59 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1cfp h LEU 60 N 0.05 0.00 -0.90 -4.42 6.46 -1.07 -3.02 115.31 112.42 1cfp h LEU 60 Ca -0.38 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 1cfp h LEU 60 Cb 2.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.96 1cfp h LEU 60 CO 0.09 0.00 -0.06 -0.67 -0.62 0.00 0.00 178.44 177.18 1cfp n ASP 61 N -2.31 1.46 -0.16 1.25 2.03 0.46 -4.12 116.55 115.16 1cfp n ASP 61 Ca 0.04 -1.39 0.29 0.00 0.52 0.00 0.00 54.79 54.25 1cfp n ASP 61 Cb 0.37 0.03 0.63 0.00 -0.72 0.00 0.00 41.12 41.44 1cfp n ASP 61 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1cfp h SER 62 N 2.20 0.00 -6.10 1.67 4.64 -1.66 -3.45 113.55 110.84 1cfp h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cfp h SER 62 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1cfp h SER 62 CO 0.00 0.00 -0.88 -0.67 -0.87 0.00 0.00 176.83 174.41 1cfp n ASP 63 N -3.62 -6.34 0.00 4.97 -0.08 -1.26 -4.15 116.55 106.08 1cfp n ASP 63 Ca 0.20 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.90 1cfp n ASP 63 Cb 1.20 -1.50 0.00 0.00 2.34 0.00 0.00 41.12 43.17 1cfp n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cfp n GLY 64 N 1.35 1.72 1.73 0.27 0.00 -1.26 -4.80 105.19 104.20 1cfp n GLY 64 Ca 0.00 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.19 1cfp n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cfp n ASP 65 N 0.64 5.55 -2.76 1.61 9.92 -1.26 -4.08 116.55 126.17 1cfp n ASP 65 Ca 0.00 -2.57 -0.09 0.00 -0.53 0.00 0.00 54.79 51.60 1cfp n ASP 65 Cb 0.00 -1.19 0.07 0.00 -0.64 0.00 0.00 41.12 39.36 1cfp n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cfp n GLY 66 N 1.52 0.65 3.98 0.44 0.00 -1.26 -4.99 105.19 105.52 1cfp n GLY 66 Ca 0.17 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1cfp n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cfp s GLU 67 N 0.21 1.17 -1.01 1.61 -1.05 -1.26 -4.01 118.70 114.37 1cfp s GLU 67 Ca 0.25 -0.95 -0.01 0.00 -0.15 0.00 0.00 54.97 54.11 1cfp s GLU 67 Cb 0.28 -2.15 0.32 0.00 -0.44 0.00 0.00 34.13 32.14 1cfp s GLU 67 CO -0.10 -1.89 1.67 0.00 0.95 0.00 0.00 175.26 175.89 1cfp s ASP 69 N -1.61 4.93 0.00 0.00 1.11 -1.26 -2.19 116.67 117.65 1cfp s ASP 69 Ca 0.37 0.21 0.00 0.00 0.18 0.00 0.00 52.55 53.32 1cfp s ASP 69 Cb 0.16 -0.93 0.00 0.00 1.07 0.00 0.00 42.92 43.22 1cfp s ASP 69 CO -0.07 -1.46 0.16 0.49 1.18 0.00 0.00 175.17 175.47 1cfp n PHE 70 N -2.70 0.00 0.24 4.23 3.72 -1.26 0.33 117.46 122.02 1cfp n PHE 70 Ca 0.09 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.63 1cfp n PHE 70 Cb 0.60 -0.01 0.75 0.00 -0.94 0.00 0.00 39.48 39.88 1cfp n PHE 70 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1cfp h GLN 71 N 0.00 0.00 0.00 -1.08 -0.00 -1.98 -2.20 115.11 109.85 1cfp h GLN 71 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.58 1cfp h GLN 71 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 1cfp h GLN 71 CO 0.00 0.00 -0.49 0.93 -0.00 0.00 0.00 178.83 179.27 1cfp h GLU 72 N 0.00 0.00 -0.12 0.06 5.08 0.52 -1.27 114.58 118.84 1cfp h GLU 72 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1cfp h GLU 72 Cb 0.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1cfp h GLU 72 CO 0.00 0.58 -0.26 0.35 -1.00 0.00 0.00 179.01 178.68 1cfp h PHE 73 N -1.00 -0.70 0.00 4.33 3.57 1.00 0.35 116.94 124.48 1cfp h PHE 73 Ca -0.11 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 1cfp h PHE 73 Cb 0.78 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1cfp h PHE 73 CO 0.06 -0.34 -0.24 0.52 -2.23 0.00 0.00 178.31 176.07 1cfp h MET 74 N -0.33 0.00 0.00 1.11 2.86 -1.57 -0.25 114.93 116.74 1cfp h MET 74 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1cfp h MET 74 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1cfp h MET 74 CO -0.31 0.24 0.00 0.00 1.06 0.00 0.00 176.91 177.90 1cfp n ALA 75 N -2.48 -0.08 -0.12 6.32 0.00 0.31 -2.47 120.51 121.98 1cfp n ALA 75 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1cfp n ALA 75 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 1cfp n ALA 75 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1cfp h PHE 76 N 0.00 -1.04 -1.09 0.00 3.57 -0.53 0.77 116.94 118.62 1cfp h PHE 76 Ca 0.00 0.06 0.38 0.00 3.53 0.00 0.00 57.97 61.94 1cfp h PHE 76 Cb 0.00 0.51 -0.15 0.00 2.79 0.00 0.00 35.95 39.10 1cfp h PHE 76 CO 0.04 -0.41 0.65 -0.24 -2.23 0.00 0.00 178.31 176.12 1cfp h VAL 77 N -0.28 0.18 0.19 1.41 3.04 -1.17 0.40 116.25 120.01 1cfp h VAL 77 Ca 0.16 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.78 1cfp h VAL 77 Cb 0.56 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 1cfp h VAL 77 CO -0.55 0.03 -0.09 0.00 -1.01 0.00 0.00 177.57 175.95 1cfp h ALA 78 N 1.81 -0.25 -1.12 3.17 0.00 0.66 0.38 119.26 123.91 1cfp h ALA 78 Ca 0.78 -0.19 0.31 0.00 0.00 0.00 0.00 54.91 55.81 1cfp h ALA 78 Cb 2.07 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.88 1cfp h ALA 78 CO -0.58 -0.29 0.75 1.98 0.00 0.00 0.00 179.25 181.10 1cfp h MET 79 N -0.95 0.22 0.00 0.00 -1.53 0.29 0.20 114.93 113.16 1cfp h MET 79 Ca -0.03 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1cfp h MET 79 Cb 0.47 -0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.47 1cfp h MET 79 CO 0.04 0.14 -0.05 0.82 0.14 0.00 0.00 176.91 178.01 1cfp h ILE 80 N 0.22 0.65 -1.08 1.77 1.08 -0.40 -3.25 117.51 116.51 1cfp h ILE 80 Ca 0.61 -1.50 0.31 0.00 -0.39 0.00 0.00 64.86 63.89 1cfp h ILE 80 Cb 1.88 1.23 -0.04 0.00 -3.07 0.00 0.00 36.82 36.82 1cfp h ILE 80 CO -0.20 0.22 1.07 0.74 -0.69 0.00 0.00 178.15 179.29 1cfp h THR 81 N -1.00 0.11 0.00 -0.27 2.02 0.15 2.19 112.91 116.11 1cfp h THR 81 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1cfp h THR 81 Cb 0.40 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1cfp h THR 81 CO -0.00 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.24 1cfp n THR 82 N -3.52 0.23 0.66 3.16 -2.24 0.53 -2.30 114.28 110.80 1cfp n THR 82 Ca 0.24 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 62.20 1cfp n THR 82 Cb 1.41 -0.77 0.36 0.00 -2.10 0.00 0.00 70.33 69.23 1cfp n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cfp n ALA 83 N -1.14 2.49 -1.00 6.98 0.00 0.74 -4.38 120.51 124.20 1cfp n ALA 83 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1cfp n ALA 83 Cb 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1cfp n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cfp n HIS 85 N 0.00 -0.39 -0.26 0.00 -0.00 -1.26 -5.08 115.22 108.23 1cfp n HIS 85 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 1cfp n HIS 85 Cb 0.00 0.08 0.12 0.00 -0.12 0.00 0.00 29.99 30.07 1cfp n HIS 85 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1cfp n GLU 86 N -1.58 -2.85 0.00 1.57 1.02 -1.26 -4.27 120.64 113.26 1cfp n GLU 86 Ca 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 57.16 56.51 1cfp n GLU 86 Cb 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1cfp n GLU 86 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1cfp n PHE 87 N -3.99 0.00 0.00 -0.32 -1.74 -1.26 -3.71 117.46 106.44 1cfp n PHE 87 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.95 1cfp n PHE 87 Cb 0.25 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.25 1cfp n PHE 87 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 1cfp n PHE 88 N 0.00 0.00 -0.70 2.97 3.01 -1.26 -4.83 117.46 116.64 1cfp n PHE 88 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1cfp n PHE 88 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1cfp n PHE 88 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1cfp n GLU 89 N 0.00 -1.86 0.23 -1.08 2.13 -1.24 -4.61 120.64 114.22 1cfp n GLU 89 Ca 0.00 1.44 0.12 0.00 0.66 0.00 0.00 57.16 59.37 1cfp n GLU 89 Cb 0.00 -1.79 0.49 0.00 0.27 0.00 0.00 31.44 30.41 1cfp n GLU 89 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1cfp h HIS 90 N 0.11 0.00 0.00 4.31 3.86 -1.88 -3.49 115.15 118.06 1cfp h HIS 90 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1cfp h HIS 90 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1cfp h HIS 90 CO 0.03 0.17 0.00 -1.91 0.86 0.00 0.00 177.93 177.08