#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfp n SER 1 N 0.00 2.70 -0.56 3.17 7.64 -1.26 -4.48 113.62 120.83 1cfp n SER 1 Ca 0.00 -2.29 0.43 0.00 1.01 0.00 0.00 58.87 58.02 1cfp n SER 1 Cb 0.00 -0.48 0.67 0.00 -1.01 0.00 0.00 64.21 63.39 1cfp n SER 1 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cfp n GLU 2 N 0.32 -0.01 -0.03 1.43 -0.58 -1.26 0.02 120.64 120.54 1cfp n GLU 2 Ca 0.12 0.94 -0.06 0.00 -0.42 0.00 0.00 57.16 57.74 1cfp n GLU 2 Cb 0.56 -2.11 -0.05 0.00 -0.57 0.00 0.00 31.44 29.27 1cfp n GLU 2 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1cfp h LEU 3 N 0.00 -0.05 -1.67 -4.62 4.07 -1.99 -1.81 115.31 109.24 1cfp h LEU 3 Ca 0.79 -0.31 0.32 0.00 0.08 0.00 0.00 57.88 58.76 1cfp h LEU 3 Cb 3.05 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 44.73 1cfp h LEU 3 CO -0.08 0.58 0.79 -0.08 -1.08 0.00 0.00 178.44 178.57 1cfp h GLU 4 N -0.99 0.17 -0.19 1.13 4.81 -0.76 1.96 114.58 120.71 1cfp h GLU 4 Ca -0.01 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.02 1cfp h GLU 4 Cb 0.36 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1cfp h GLU 4 CO 0.01 0.11 -0.64 0.87 -0.73 0.00 0.00 179.01 178.63 1cfp h LYS 5 N 0.18 0.71 -0.14 1.92 1.57 -1.21 -1.05 116.57 118.54 1cfp h LYS 5 Ca 0.61 -0.50 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1cfp h LYS 5 Cb 2.00 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.38 1cfp h LYS 5 CO -0.17 1.12 -0.32 0.00 -0.57 0.00 0.00 179.45 179.51 1cfp h ALA 6 N 0.75 1.21 0.22 3.86 0.00 0.36 -1.44 119.26 124.23 1cfp h ALA 6 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1cfp h ALA 6 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1cfp h ALA 6 CO 0.13 0.53 -0.11 0.28 0.00 0.00 0.00 179.25 180.08 1cfp h VAL 7 N 0.24 0.85 -0.00 0.00 2.07 0.70 0.29 116.25 120.39 1cfp h VAL 7 Ca 0.03 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1cfp h VAL 7 Cb 0.69 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1cfp h VAL 7 CO 0.05 0.10 0.03 0.58 0.02 0.00 0.00 177.57 178.36 1cfp h VAL 8 N -0.54 0.00 0.05 2.57 2.07 -0.99 0.13 116.25 119.55 1cfp h VAL 8 Ca -0.03 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 1cfp h VAL 8 Cb 0.40 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1cfp h VAL 8 CO 0.05 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 177.16 1cfp h ALA 9 N 1.94 0.01 -0.31 1.67 0.00 -0.21 -3.28 119.26 119.07 1cfp h ALA 9 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1cfp h ALA 9 Cb 0.06 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1cfp h ALA 9 CO -0.00 0.24 0.03 -0.07 0.00 0.00 0.00 179.25 179.46 1cfp h LEU 10 N -0.75 0.52 -1.96 0.00 3.38 0.61 -1.58 115.31 115.53 1cfp h LEU 10 Ca -0.10 -0.28 0.34 0.00 0.09 0.00 0.00 57.88 57.94 1cfp h LEU 10 Cb 1.29 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1cfp h LEU 10 CO 0.03 0.66 0.85 0.16 0.09 0.00 0.00 178.44 180.24 1cfp h ILE 11 N 0.35 0.40 -0.13 1.22 -0.00 -0.93 1.38 117.51 119.80 1cfp h ILE 11 Ca 0.09 -0.01 -0.23 0.00 -0.00 0.00 0.00 64.86 64.72 1cfp h ILE 11 Cb 0.38 0.38 0.01 0.00 -0.00 0.00 0.00 36.82 37.59 1cfp h ILE 11 CO 0.01 0.00 -0.81 -0.78 -0.00 0.00 0.00 178.15 176.57 1cfp h ASP 12 N 0.02 0.94 0.35 2.16 3.58 -1.36 -2.82 116.42 119.29 1cfp h ASP 12 Ca 0.57 -0.65 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1cfp h ASP 12 Cb 2.25 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 43.01 1cfp h ASP 12 CO -0.02 1.44 -0.31 0.58 -2.88 0.00 0.00 179.24 178.04 1cfp h VAL 13 N 0.51 0.00 -0.54 2.25 2.07 0.23 -2.57 116.25 118.20 1cfp h VAL 13 Ca -0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1cfp h VAL 13 Cb 1.45 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.11 1cfp h VAL 13 CO 0.17 0.00 -0.23 -0.26 0.02 0.00 0.00 177.57 177.27 1cfp h PHE 14 N -0.65 -0.57 -0.98 1.57 0.04 -1.47 0.80 116.94 115.68 1cfp h PHE 14 Ca -0.05 0.06 0.27 0.00 2.80 0.00 0.00 57.97 61.06 1cfp h PHE 14 Cb 0.55 0.33 -0.18 0.00 2.20 0.00 0.00 35.95 38.86 1cfp h PHE 14 CO -0.15 -0.31 0.06 1.25 -0.60 0.00 0.00 178.31 178.56 1cfp h HIS 15 N -0.10 0.01 0.00 -0.55 2.76 -1.23 0.31 115.15 116.35 1cfp h HIS 15 Ca 0.25 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 1cfp h HIS 15 Cb 0.48 0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.60 1cfp h HIS 15 CO -0.52 -0.42 -0.09 1.96 -1.30 0.00 0.00 177.93 177.55 1cfp h GLN 16 N 0.02 0.00 -0.10 5.26 4.20 -0.37 -2.46 115.11 121.66 1cfp h GLN 16 Ca 0.60 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.32 1cfp h GLN 16 Cb 1.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1cfp h GLN 16 CO -0.90 0.00 -0.06 0.66 -0.67 0.00 0.00 178.83 177.86 1cfp n TYR 17 N -3.18 -0.04 1.90 2.96 4.01 0.25 0.32 117.16 123.38 1cfp n TYR 17 Ca -0.01 0.13 0.09 0.00 -0.16 0.00 0.00 57.90 57.94 1cfp n TYR 17 Cb 0.05 -0.49 0.51 0.00 -0.31 0.00 0.00 39.34 39.10 1cfp n TYR 17 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1cfp n SER 18 N -3.20 0.00 -0.71 7.72 7.64 0.10 -3.30 113.62 121.88 1cfp n SER 18 Ca 0.00 -1.36 0.04 0.00 1.01 0.00 0.00 58.87 58.56 1cfp n SER 18 Cb 0.03 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.71 1.95 0.00 0.23 0.00 0.24 -3.38 105.19 104.94 1cfp n GLY 19 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.25 1.37 0.08 1.61 1.85 0.97 -4.69 116.66 117.60 1cfp n ARG 20 Ca 0.07 -0.95 0.00 0.00 -1.00 0.00 0.00 57.85 55.96 1cfp n ARG 20 Cb 0.81 -0.73 0.00 0.00 -1.05 0.00 0.00 32.46 31.49 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 -0.23 0.00 0.07 2.89 0.00 -1.26 -5.01 120.64 117.09 1cfp n GLU 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1cfp n GLU 21 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 31.44 31.63 1cfp n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cfp n GLY 22 N 2.48 -1.08 3.17 8.31 0.00 -1.26 -5.14 105.19 111.67 1cfp n GLY 22 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.81 -2.66 0.00 1.61 -0.08 -1.26 -4.97 116.55 106.39 1cfp n ASP 23 Ca 0.00 -0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 1cfp n ASP 23 Cb 0.00 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 42.61 1cfp n ASP 23 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cfp n LYS 24 N -1.63 0.00 -2.83 -0.67 3.00 -1.22 -4.33 118.16 110.48 1cfp n LYS 24 Ca 0.02 0.04 -0.21 0.00 -0.00 0.00 0.00 58.31 58.17 1cfp n LYS 24 Cb 0.55 -0.34 -0.01 0.00 0.00 0.00 0.00 35.03 35.24 1cfp n LYS 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1cfp n HIS 25 N -1.89 2.27 -3.64 5.64 8.25 -1.26 -3.80 115.22 120.80 1cfp n HIS 25 Ca 0.00 -3.47 -0.16 0.00 -0.26 0.00 0.00 57.72 53.83 1cfp n HIS 25 Cb 0.00 -0.35 -0.07 0.00 1.12 0.00 0.00 29.99 30.69 1cfp n HIS 25 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1cfp s LYS 26 N -3.15 0.86 0.53 -0.41 2.20 -1.26 -4.02 119.74 114.49 1cfp s LYS 26 Ca 0.42 0.08 0.01 0.00 -0.36 0.00 0.00 55.97 56.12 1cfp s LYS 26 Cb 0.37 0.40 0.01 0.00 -1.51 0.00 0.00 37.83 37.09 1cfp s LYS 26 CO -0.10 -0.25 0.07 1.28 -0.36 0.00 0.00 175.35 176.00 1cfp n LEU 27 N 1.19 0.00 -4.19 5.43 4.77 0.24 -4.58 117.00 119.85 1cfp n LEU 27 Ca -0.20 -3.23 -0.16 0.00 -0.03 0.00 0.00 56.01 52.40 1cfp n LEU 27 Cb 0.56 0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.84 1cfp n LEU 27 CO 0.22 -0.49 -0.43 -0.54 -1.33 0.00 0.00 177.39 174.82 1cfp s LYS 28 N -3.97 0.88 0.33 3.23 1.02 -1.26 -2.01 119.74 117.96 1cfp s LYS 28 Ca 0.06 -1.15 0.09 0.00 0.02 0.00 0.00 55.97 54.99 1cfp s LYS 28 Cb -0.00 -0.65 0.97 0.00 -0.52 0.00 0.00 37.83 37.62 1cfp s LYS 28 CO 0.04 0.11 1.60 0.87 -0.92 0.00 0.00 175.35 177.05 1cfp h LYS 29 N 3.65 0.07 0.73 1.68 1.57 -1.94 1.79 116.57 124.12 1cfp h LYS 29 Ca -0.38 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1cfp h LYS 29 Cb 1.19 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1cfp h LYS 29 CO 0.51 0.05 -0.35 1.03 -0.57 0.00 0.00 179.45 180.11 1cfp h SER 30 N 0.07 -0.83 0.16 0.86 0.87 -1.99 -0.22 113.55 112.47 1cfp h SER 30 Ca 0.69 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 61.23 1cfp h SER 30 Cb 1.58 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.75 1cfp h SER 30 CO -0.80 -0.58 -0.17 -0.33 -0.53 0.00 0.00 176.83 174.43 1cfp h GLU 31 N -1.00 0.03 -0.73 2.24 5.08 -1.03 -1.60 114.58 117.56 1cfp h GLU 31 Ca -0.10 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1cfp h GLU 31 Cb 0.76 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1cfp h GLU 31 CO 0.16 0.20 0.47 1.25 -1.00 0.00 0.00 179.01 180.09 1cfp h LEU 32 N 0.03 0.78 0.32 1.33 5.85 0.32 -0.66 115.31 123.27 1cfp h LEU 32 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1cfp h LEU 32 Cb 0.32 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1cfp h LEU 32 CO 0.02 0.54 -0.17 0.50 -0.34 0.00 0.00 178.44 179.00 1cfp h LYS 33 N 0.92 -0.44 -0.83 1.25 1.63 -0.05 -1.51 116.57 117.55 1cfp h LYS 33 Ca 0.29 0.03 0.20 0.00 -0.85 0.00 0.00 60.65 60.32 1cfp h LYS 33 Cb -0.01 0.10 -0.12 0.00 -0.60 0.00 0.00 32.23 31.59 1cfp h LYS 33 CO -0.10 -0.29 0.26 1.49 -3.45 0.00 0.00 179.45 177.36 1cfp h GLU 34 N -0.45 0.29 -0.84 1.90 4.57 -1.20 0.80 114.58 119.64 1cfp h GLU 34 Ca -0.04 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 1cfp h GLU 34 Cb 0.36 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.81 1cfp h GLU 34 CO 0.06 0.19 0.49 1.25 -1.18 0.00 0.00 179.01 179.81 1cfp h LEU 35 N 0.30 0.70 0.00 1.64 6.46 -0.18 2.28 115.31 126.52 1cfp h LEU 35 Ca 0.50 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 58.26 1cfp h LEU 35 Cb 0.92 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1cfp h LEU 35 CO -0.56 0.40 -0.31 0.40 -0.62 0.00 0.00 178.44 177.76 1cfp h ILE 36 N 0.82 0.32 0.00 4.05 5.03 0.74 -3.19 117.51 125.28 1cfp h ILE 36 Ca 0.40 -1.46 0.00 0.00 -0.12 0.00 0.00 64.86 63.68 1cfp h ILE 36 Cb 0.35 2.11 0.00 0.00 -3.03 0.00 0.00 36.82 36.25 1cfp h ILE 36 CO -0.24 0.18 -0.84 0.78 -0.68 0.00 0.00 178.15 177.35 1cfp h ASN 37 N 0.00 0.00 1.27 1.72 -0.26 0.26 0.15 115.58 118.72 1cfp h ASN 37 Ca -0.01 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1cfp h ASN 37 Cb 1.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 1cfp h ASN 37 CO 0.02 0.02 0.00 0.59 -1.06 0.00 0.00 177.43 177.00 1cfp n ASN 38 N -2.65 0.57 -0.01 5.81 3.02 0.75 -3.53 115.26 119.22 1cfp n ASN 38 Ca 0.01 0.56 -0.02 0.00 -0.03 0.00 0.00 54.58 55.10 1cfp n ASN 38 Cb 0.53 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 1cfp n ASN 38 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1cfp n GLU 39 N -2.04 0.06 -2.93 3.52 0.28 -1.23 -4.81 120.64 113.50 1cfp n GLU 39 Ca 0.06 0.02 -0.38 0.00 -0.16 0.00 0.00 57.16 56.70 1cfp n GLU 39 Cb 0.38 -1.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.25 1cfp n GLU 39 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1cfp n LEU 40 N -2.64 6.09 -0.41 -1.84 4.77 0.53 -4.82 117.00 118.68 1cfp n LEU 40 Ca -0.05 -5.38 0.40 0.00 -0.03 0.00 0.00 56.01 50.94 1cfp n LEU 40 Cb 0.55 -1.04 0.73 0.00 -2.33 0.00 0.00 43.42 41.33 1cfp n LEU 40 CO 0.02 1.98 1.37 0.28 -1.33 0.00 0.00 177.39 179.70 1cfp h SER 41 N 4.44 0.00 -0.00 -1.43 0.02 -1.77 2.12 113.55 116.93 1cfp h SER 41 Ca 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1cfp h SER 41 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1cfp h SER 41 CO 1.13 0.00 -0.06 0.45 -1.14 0.00 0.00 176.83 177.22 1cfp h HIS 42 N 0.00 0.16 0.00 3.45 3.86 -1.90 0.06 115.15 120.79 1cfp h HIS 42 Ca 0.66 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.86 1cfp h HIS 42 Cb 2.83 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 31.25 1cfp h HIS 42 CO 0.00 0.23 0.00 0.74 0.86 0.00 0.00 177.93 179.76 1cfp h PHE 43 N 0.16 0.00 -1.01 2.45 -1.00 0.32 -3.06 116.94 114.80 1cfp h PHE 43 Ca 0.04 0.00 0.26 0.00 2.81 0.00 0.00 57.97 61.08 1cfp h PHE 43 Cb 0.21 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.70 1cfp h PHE 43 CO 0.00 0.00 0.68 1.25 -1.61 0.00 0.00 178.31 178.63 1cfp h LEU 44 N 0.00 0.32 0.00 1.54 5.85 -0.88 0.89 115.31 123.03 1cfp h LEU 44 Ca 0.00 0.05 -0.21 0.00 0.84 0.00 0.00 57.88 58.56 1cfp h LEU 44 Cb 0.66 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1cfp h LEU 44 CO 0.00 0.08 -1.54 1.21 -0.34 0.00 0.00 178.44 177.85 1cfp n GLU 45 N -4.49 0.63 -0.65 1.25 4.07 -1.16 -4.94 120.64 115.34 1cfp n GLU 45 Ca 0.23 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 1cfp n GLU 45 Cb 0.90 -1.79 0.00 0.00 -0.06 0.00 0.00 31.44 30.49 1cfp n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1cfp n GLU 46 N -2.92 0.00 0.08 5.31 4.07 0.31 -4.75 120.64 122.74 1cfp n GLU 46 Ca -0.12 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.09 1cfp n GLU 46 Cb 0.91 -3.60 -0.03 0.00 -0.06 0.00 0.00 31.44 28.66 1cfp n GLU 46 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1cfp n ILE 47 N -2.00 0.51 0.10 6.31 0.13 -1.26 -3.80 119.36 119.34 1cfp n ILE 47 Ca 0.00 -0.54 0.01 0.00 -1.10 0.00 0.00 62.75 61.12 1cfp n ILE 47 Cb 0.00 -0.28 0.06 0.00 -0.84 0.00 0.00 39.64 38.59 1cfp n ILE 47 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1cfp n LYS 48 N -2.60 0.00 -3.42 9.51 4.01 -1.26 -3.93 118.16 120.48 1cfp n LYS 48 Ca -0.01 0.44 -0.23 0.00 -0.51 0.00 0.00 58.31 57.99 1cfp n LYS 48 Cb 0.55 -1.50 -0.10 0.00 -0.51 0.00 0.00 35.03 33.47 1cfp n LYS 48 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1cfp s GLU 49 N -2.96 0.58 0.00 1.97 1.03 -1.25 -5.07 118.70 113.00 1cfp s GLU 49 Ca 0.01 -1.09 0.00 0.00 0.03 0.00 0.00 54.97 53.93 1cfp s GLU 49 Cb 0.02 -1.02 0.00 0.00 -0.80 0.00 0.00 34.13 32.32 1cfp s GLU 49 CO 0.05 -1.20 0.17 1.04 -1.33 0.00 0.00 175.26 173.99 1cfp n GLN 50 N 4.17 0.00 -0.69 -4.83 1.13 -1.25 -0.11 117.38 115.80 1cfp n GLN 50 Ca 0.11 0.00 0.52 0.00 -1.94 0.00 0.00 57.00 55.69 1cfp n GLN 50 Cb 0.41 -0.59 0.80 0.00 0.11 0.00 0.00 30.24 30.96 1cfp n GLN 50 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1cfp n GLU 51 N -0.24 0.00 0.07 -1.09 2.13 -1.26 0.25 120.64 120.49 1cfp n GLU 51 Ca 0.00 1.06 -0.21 0.00 0.66 0.00 0.00 57.16 58.67 1cfp n GLU 51 Cb 0.00 -2.46 -0.12 0.00 0.27 0.00 0.00 31.44 29.13 1cfp n GLU 51 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1cfp h VAL 52 N 0.00 1.31 -1.17 6.31 2.07 -1.97 -2.63 116.25 120.17 1cfp h VAL 52 Ca 0.91 -2.38 0.33 0.00 0.82 0.00 0.00 66.70 66.38 1cfp h VAL 52 Cb 3.70 2.66 -0.09 0.00 -1.52 0.00 0.00 31.29 36.04 1cfp h VAL 52 CO -0.01 0.72 0.78 0.58 0.02 0.00 0.00 177.57 179.67 1cfp h VAL 53 N 0.22 0.40 -0.20 2.57 2.07 0.68 2.71 116.25 124.69 1cfp h VAL 53 Ca -0.17 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1cfp h VAL 53 Cb 1.80 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1cfp h VAL 53 CO 0.22 0.04 -0.22 -0.78 0.02 0.00 0.00 177.57 176.84 1cfp h ASP 54 N 0.20 0.55 0.06 0.57 3.58 -1.25 -2.53 116.42 117.61 1cfp h ASP 54 Ca 0.64 -0.49 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 1cfp h ASP 54 Cb 2.01 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.90 1cfp h ASP 54 CO -0.22 0.92 -0.03 0.11 -2.88 0.00 0.00 179.24 177.14 1cfp h LYS 55 N 0.19 -0.08 -0.76 0.28 6.56 0.40 -1.25 116.57 121.91 1cfp h LYS 55 Ca 0.03 0.01 0.29 0.00 -1.06 0.00 0.00 60.65 59.92 1cfp h LYS 55 Cb 0.77 0.02 -0.14 0.00 -0.57 0.00 0.00 32.23 32.32 1cfp h LYS 55 CO 0.05 -0.05 0.33 0.28 -2.06 0.00 0.00 179.45 178.00 1cfp n VAL 56 N -2.93 -0.32 0.05 0.50 0.31 0.73 0.25 118.33 116.92 1cfp n VAL 56 Ca -0.01 1.56 -0.10 0.00 -0.01 0.00 0.00 64.34 65.79 1cfp n VAL 56 Cb 0.03 -2.49 -0.13 0.00 -0.91 0.00 0.00 33.84 30.35 1cfp n VAL 56 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1cfp h MET 57 N 0.00 0.06 -0.73 5.55 2.86 -1.54 -2.66 114.93 118.47 1cfp h MET 57 Ca 0.60 -0.11 0.12 0.00 -2.06 0.00 0.00 59.70 58.26 1cfp h MET 57 Cb 1.54 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 33.19 1cfp h MET 57 CO -0.61 0.94 0.49 1.05 1.06 0.00 0.00 176.91 179.84 1cfp h GLU 58 N 0.02 0.49 0.09 1.72 -0.00 0.45 0.37 114.58 117.71 1cfp h GLU 58 Ca -0.11 -0.03 -0.35 0.00 -0.00 0.00 0.00 59.36 58.88 1cfp h GLU 58 Cb 1.87 -0.11 -0.03 0.00 -0.00 0.00 0.00 28.75 30.48 1cfp h GLU 58 CO 0.13 0.32 -1.95 2.41 -0.00 0.00 0.00 179.01 179.93 1cfp n THR 59 N -4.49 1.72 -0.09 -1.06 -1.04 -0.98 -4.30 114.28 104.05 1cfp n THR 59 Ca 0.13 -0.69 -0.12 0.00 -2.04 0.00 0.00 64.05 61.33 1cfp n THR 59 Cb 0.44 -1.51 -0.05 0.00 -1.82 0.00 0.00 70.33 67.39 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 0.55 -0.87 -4.42 6.46 -1.05 1.47 115.31 117.50 1cfp h LEU 60 Ca -0.40 -0.40 0.15 0.00 -0.12 0.00 0.00 57.88 57.11 1cfp h LEU 60 Cb 2.03 -0.15 -0.15 0.00 -0.73 0.00 0.00 40.66 41.65 1cfp h LEU 60 CO 0.08 0.83 -0.32 -0.78 -0.62 0.00 0.00 178.44 177.63 1cfp h ASP 61 N 0.27 -1.16 0.00 1.25 3.58 -0.47 -2.96 116.42 116.92 1cfp h ASP 61 Ca 0.06 0.28 -0.14 0.00 0.42 0.00 0.00 57.03 57.64 1cfp h ASP 61 Cb 0.62 0.65 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 1cfp h ASP 61 CO 0.04 -0.29 -1.03 -1.20 -2.88 0.00 0.00 179.24 173.87 1cfp n SER 62 N -5.50 1.85 -2.03 2.28 7.64 -1.20 -4.92 113.62 111.74 1cfp n SER 62 Ca 0.10 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1cfp n SER 62 Cb 0.41 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1cfp n SER 62 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1cfp n ASP 63 N -4.50 -0.49 -2.04 6.43 2.03 0.50 -1.81 116.55 116.67 1cfp n ASP 63 Ca -0.23 0.98 -0.09 0.00 0.52 0.00 0.00 54.79 55.97 1cfp n ASP 63 Cb 0.52 -1.47 -0.02 0.00 -0.72 0.00 0.00 41.12 39.43 1cfp n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfp n GLY 64 N 2.02 -0.10 2.15 0.27 0.00 -1.26 -2.42 105.19 105.85 1cfp n GLY 64 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1cfp n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cfp n ASP 65 N -0.03 -3.53 -3.84 1.61 2.03 -0.75 -0.26 116.55 111.78 1cfp n ASP 65 Ca 0.02 0.13 -0.30 0.00 0.52 0.00 0.00 54.79 55.16 1cfp n ASP 65 Cb 0.11 -0.89 -0.00 0.00 -0.72 0.00 0.00 41.12 39.61 1cfp n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfp n GLY 66 N 0.63 -0.48 2.76 0.27 0.00 -1.02 -4.91 105.19 102.45 1cfp n GLY 66 Ca -0.02 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 1cfp n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cfp s GLU 67 N -6.53 0.70 -1.01 1.61 2.12 0.64 -4.95 118.70 111.27 1cfp s GLU 67 Ca 0.61 -0.95 -0.02 0.00 0.36 0.00 0.00 54.97 54.97 1cfp s GLU 67 Cb -0.32 -0.71 0.32 0.00 0.26 0.00 0.00 34.13 33.68 1cfp s GLU 67 CO 0.75 -1.22 1.63 0.00 -0.54 0.00 0.00 175.26 175.88 1cfp n ASP 69 N 0.45 0.96 0.00 0.00 2.03 -1.26 0.79 116.55 119.51 1cfp n ASP 69 Ca 0.38 -1.92 0.00 0.00 0.52 0.00 0.00 54.79 53.77 1cfp n ASP 69 Cb 0.30 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 1cfp n ASP 69 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1cfp n PHE 70 N -3.12 0.00 0.64 -0.67 3.01 -1.26 0.30 117.46 116.36 1cfp n PHE 70 Ca 0.16 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.69 1cfp n PHE 70 Cb 0.57 0.00 0.34 0.00 -0.01 0.00 0.00 39.48 40.39 1cfp n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cfp n GLN 71 N -0.32 0.18 0.11 -1.08 10.64 -1.26 -2.59 117.38 123.07 1cfp n GLN 71 Ca 0.00 0.16 -0.22 0.00 -1.83 0.00 0.00 57.00 55.12 1cfp n GLN 71 Cb 0.00 -1.50 -0.15 0.00 -0.86 0.00 0.00 30.24 27.73 1cfp n GLN 71 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1cfp h GLU 72 N 0.00 0.43 0.75 2.61 5.08 0.43 -1.92 114.58 121.96 1cfp h GLU 72 Ca 0.00 -0.73 -0.04 0.00 -1.00 0.00 0.00 59.36 57.59 1cfp h GLU 72 Cb 0.14 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1cfp h GLU 72 CO 0.00 1.34 -0.39 0.35 -1.00 0.00 0.00 179.01 179.30 1cfp h PHE 73 N 0.12 -1.03 -0.16 4.33 3.57 -0.99 -1.86 116.94 120.92 1cfp h PHE 73 Ca -0.25 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.27 1cfp h PHE 73 Cb 2.10 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 41.19 1cfp h PHE 73 CO 0.10 -0.62 0.11 0.52 -2.23 0.00 0.00 178.31 176.20 1cfp h MET 74 N -1.05 0.02 0.52 1.11 2.86 -1.71 0.18 114.93 116.87 1cfp h MET 74 Ca -0.10 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1cfp h MET 74 Cb 0.82 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1cfp h MET 74 CO 0.15 0.01 -0.51 0.00 1.06 0.00 0.00 176.91 177.62 1cfp h ALA 75 N 1.92 -1.16 0.08 6.32 0.00 -0.58 0.41 119.26 126.24 1cfp h ALA 75 Ca 0.07 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1cfp h ALA 75 Cb 0.27 0.74 0.02 0.00 0.00 0.00 0.00 17.79 18.81 1cfp h ALA 75 CO -0.00 -1.19 -0.67 0.35 0.00 0.00 0.00 179.25 177.73 1cfp h PHE 76 N -1.03 0.53 -0.35 0.00 3.57 -1.12 -2.59 116.94 115.95 1cfp h PHE 76 Ca -0.07 -0.34 0.10 0.00 3.53 0.00 0.00 57.97 61.19 1cfp h PHE 76 Cb 0.89 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1cfp h PHE 76 CO -0.25 1.22 0.40 -0.24 -2.23 0.00 0.00 178.31 177.20 1cfp h VAL 77 N -0.30 0.38 -0.05 1.41 3.04 -0.66 0.63 116.25 120.70 1cfp h VAL 77 Ca -0.11 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.45 1cfp h VAL 77 Cb 1.46 0.68 0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1cfp h VAL 77 CO 0.13 0.00 -0.48 0.00 -1.01 0.00 0.00 177.57 176.21 1cfp h ALA 78 N 1.54 0.12 -0.48 3.17 0.00 -0.01 1.41 119.26 125.02 1cfp h ALA 78 Ca 0.17 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1cfp h ALA 78 Cb 0.96 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1cfp h ALA 78 CO -0.00 0.30 0.27 1.98 0.00 0.00 0.00 179.25 181.80 1cfp h MET 79 N -0.08 0.64 0.00 0.00 -1.53 0.51 -1.70 114.93 112.77 1cfp h MET 79 Ca -0.05 -0.06 -0.04 0.00 -3.44 0.00 0.00 59.70 56.12 1cfp h MET 79 Cb 1.16 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 32.06 1cfp h MET 79 CO 0.10 0.47 -0.23 0.82 0.14 0.00 0.00 176.91 178.20 1cfp h ILE 80 N 0.66 1.06 -1.29 1.77 1.08 -0.61 -3.30 117.51 116.88 1cfp h ILE 80 Ca 0.17 -1.87 0.37 0.00 -0.39 0.00 0.00 64.86 63.14 1cfp h ILE 80 Cb -0.00 2.09 -0.05 0.00 -3.07 0.00 0.00 36.82 35.78 1cfp h ILE 80 CO -0.03 0.36 1.09 0.74 -0.69 0.00 0.00 178.15 179.62 1cfp h THR 81 N -1.00 0.15 0.00 -0.27 2.02 0.21 2.83 112.91 116.85 1cfp h THR 81 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1cfp h THR 81 Cb 0.75 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1cfp h THR 81 CO -0.03 0.00 -0.09 0.71 0.37 0.00 0.00 175.52 176.47 1cfp h THR 82 N 0.00 0.00 0.00 3.16 1.35 -1.39 -3.18 112.91 112.86 1cfp h THR 82 Ca 0.61 -0.68 -0.10 0.00 -0.55 0.00 0.00 66.41 65.69 1cfp h THR 82 Cb 2.79 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 70.81 1cfp h THR 82 CO -0.01 0.00 -1.43 0.00 -0.25 0.00 0.00 175.52 173.84 1cfp n ALA 83 N -1.91 2.22 -1.00 6.62 0.00 0.94 -3.70 120.51 123.68 1cfp n ALA 83 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1cfp n ALA 83 Cb 0.47 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.00 -3.32 0.00 1.44 -1.26 -4.66 115.22 107.42 1cfp n HIS 85 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1cfp n HIS 85 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1cfp n HIS 85 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1cfp n GLU 86 N 0.00 0.00 -0.16 -1.40 4.07 -1.26 -2.68 120.64 119.20 1cfp n GLU 86 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 1cfp n GLU 86 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 1cfp n GLU 86 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1cfp h PHE 87 N 0.00 -1.06 0.00 4.31 3.57 -2.00 -3.25 116.94 118.52 1cfp h PHE 87 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1cfp h PHE 87 Cb 0.00 0.52 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1cfp h PHE 87 CO 0.00 -0.25 0.00 1.19 -2.23 0.00 0.00 178.31 177.02 1cfp n PHE 88 N -4.30 0.00 -1.45 0.41 3.72 -1.09 -3.18 117.46 111.57 1cfp n PHE 88 Ca -0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1cfp n PHE 88 Cb 0.18 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.62 1cfp n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1cfp n GLU 89 N 0.00 0.18 0.00 -1.08 4.07 -1.18 -2.12 120.64 120.51 1cfp n GLU 89 Ca 0.00 -0.95 0.00 0.00 -0.06 0.00 0.00 57.16 56.15 1cfp n GLU 89 Cb 0.00 -2.95 0.00 0.00 -0.06 0.00 0.00 31.44 28.43 1cfp n GLU 89 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1cfp n HIS 90 N 14.93 0.00 -0.08 4.31 -0.00 -1.19 -4.51 115.22 128.69 1cfp n HIS 90 Ca 0.38 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.56 1cfp n HIS 90 Cb 0.43 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.30 1cfp n HIS 90 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19