#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 2.49 -0.26 3.17 7.64 -1.26 -4.42 113.62 120.98 1cfp n SER 1 Ca 0.00 -2.29 0.31 0.00 1.01 0.00 0.00 58.87 57.90 1cfp n SER 1 Cb 0.00 -0.56 0.55 0.00 -1.01 0.00 0.00 64.21 63.20 1cfp n SER 1 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1cfp h GLU 2 N 1.23 0.00 0.08 1.43 3.07 -2.03 0.49 114.58 118.85 1cfp h GLU 2 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1cfp h GLU 2 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1cfp h GLU 2 CO 0.16 0.00 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.66 1cfp h LEU 3 N 0.00 -0.09 -1.67 1.33 4.07 -1.97 0.58 115.31 117.56 1cfp h LEU 3 Ca 0.53 -0.38 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 1cfp h LEU 3 Cb 2.79 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 44.55 1cfp h LEU 3 CO -0.01 0.56 -0.14 -0.08 -1.08 0.00 0.00 178.44 177.69 1cfp h GLU 4 N -0.97 0.03 -0.05 1.13 4.81 -1.14 1.16 114.58 119.56 1cfp h GLU 4 Ca -0.01 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 1cfp h GLU 4 Cb 0.46 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.84 1cfp h GLU 4 CO 0.02 0.18 -0.65 0.87 -0.73 0.00 0.00 179.01 178.69 1cfp h LYS 5 N 0.03 0.52 -0.12 1.92 1.79 -0.21 0.19 116.57 120.70 1cfp h LYS 5 Ca 0.01 -0.50 -0.08 0.00 -2.18 0.00 0.00 60.65 57.90 1cfp h LYS 5 Cb 0.27 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1cfp h LYS 5 CO 0.02 1.13 -0.27 0.00 -1.08 0.00 0.00 179.45 179.26 1cfp h ALA 6 N 0.40 1.33 0.27 3.86 0.00 0.12 -1.76 119.26 123.48 1cfp h ALA 6 Ca -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1cfp h ALA 6 Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1cfp h ALA 6 CO 0.13 0.46 -0.13 0.28 0.00 0.00 0.00 179.25 179.99 1cfp h VAL 7 N 0.20 0.77 -0.51 0.00 2.07 0.15 0.46 116.25 119.39 1cfp h VAL 7 Ca 0.03 -0.60 0.15 0.00 0.82 0.00 0.00 66.70 67.10 1cfp h VAL 7 Cb 0.58 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1cfp h VAL 7 CO 0.04 0.12 0.60 0.58 0.02 0.00 0.00 177.57 178.93 1cfp h VAL 8 N -0.69 0.27 0.04 2.57 2.07 -0.28 0.39 116.25 120.63 1cfp h VAL 8 Ca -0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1cfp h VAL 8 Cb 0.48 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1cfp h VAL 8 CO 0.06 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.20 1cfp h ALA 9 N 1.28 0.02 -0.89 1.67 0.00 -0.36 -3.27 119.26 117.71 1cfp h ALA 9 Ca 0.24 -0.67 0.02 0.00 0.00 0.00 0.00 54.91 54.50 1cfp h ALA 9 Cb 1.44 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1cfp h ALA 9 CO -0.00 0.24 0.59 -0.07 0.00 0.00 0.00 179.25 180.00 1cfp h LEU 10 N -0.79 1.00 -2.05 0.00 3.38 0.35 0.20 115.31 117.40 1cfp h LEU 10 Ca -0.10 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1cfp h LEU 10 Cb 1.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1cfp h LEU 10 CO 0.02 0.72 0.32 0.16 0.09 0.00 0.00 178.44 179.75 1cfp h ILE 11 N 1.18 0.64 -0.01 1.22 -0.00 -0.52 1.26 117.51 121.28 1cfp h ILE 11 Ca 0.33 0.00 -0.18 0.00 -0.00 0.00 0.00 64.86 65.01 1cfp h ILE 11 Cb -0.10 0.76 -0.02 0.00 -0.00 0.00 0.00 36.82 37.47 1cfp h ILE 11 CO -0.08 0.00 -0.81 -0.78 -0.00 0.00 0.00 178.15 176.48 1cfp h ASP 12 N 0.00 0.16 0.00 2.16 1.82 -0.68 -2.79 116.42 117.09 1cfp h ASP 12 Ca 0.19 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1cfp h ASP 12 Cb 0.83 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.79 1cfp h ASP 12 CO -0.00 0.90 0.00 0.52 -1.61 0.00 0.00 179.24 179.05 1cfp n VAL 13 N -3.67 0.00 -0.32 2.25 0.31 0.42 -2.71 118.33 114.62 1cfp n VAL 13 Ca -0.02 1.04 0.15 0.00 -0.01 0.00 0.00 64.34 65.50 1cfp n VAL 13 Cb 0.76 -2.01 0.31 0.00 -0.91 0.00 0.00 33.84 31.98 1cfp n VAL 13 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1cfp h PHE 14 N 0.00 0.14 -0.81 3.52 0.04 -1.35 0.24 116.94 118.72 1cfp h PHE 14 Ca 0.00 0.06 0.08 0.00 2.80 0.00 0.00 57.97 60.91 1cfp h PHE 14 Cb 0.00 0.09 -0.11 0.00 2.20 0.00 0.00 35.95 38.13 1cfp h PHE 14 CO 0.12 -0.36 -0.56 1.25 -0.60 0.00 0.00 178.31 178.17 1cfp h HIS 15 N 0.07 -1.77 0.00 -0.55 2.76 -1.49 1.15 115.15 115.31 1cfp h HIS 15 Ca 0.59 0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.87 1cfp h HIS 15 Cb 1.24 0.88 0.00 0.00 1.55 0.00 0.00 27.41 31.09 1cfp h HIS 15 CO -0.38 -0.38 0.00 1.04 -1.30 0.00 0.00 177.93 176.90 1cfp n GLN 16 N -5.18 0.00 -0.17 5.26 6.02 0.68 0.40 117.38 124.39 1cfp n GLN 16 Ca 0.01 0.47 -0.05 0.00 -0.01 0.00 0.00 57.00 57.42 1cfp n GLN 16 Cb 0.27 -1.23 -0.04 0.00 1.02 0.00 0.00 30.24 30.26 1cfp n GLN 16 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1cfp n TYR 17 N -1.92 -0.18 1.75 1.08 4.01 -0.21 0.27 117.16 121.96 1cfp n TYR 17 Ca 0.00 0.52 0.10 0.00 -0.16 0.00 0.00 57.90 58.36 1cfp n TYR 17 Cb 0.00 -0.51 0.51 0.00 -0.31 0.00 0.00 39.34 39.04 1cfp n TYR 17 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1cfp n SER 18 N -3.92 0.56 -1.68 7.72 3.41 0.39 -3.84 113.62 116.26 1cfp n SER 18 Ca 0.01 -1.49 0.02 0.00 -0.26 0.00 0.00 58.87 57.14 1cfp n SER 18 Cb 0.11 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1cfp n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cfp n GLY 19 N 0.92 1.09 0.03 5.00 0.00 0.18 -3.79 105.19 108.61 1cfp n GLY 19 Ca 0.15 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 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 0.21 2.82 0.00 1.61 1.85 0.77 -4.59 116.66 119.33 1cfp n ARG 20 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 1cfp n ARG 20 Cb 1.03 -1.15 0.00 0.00 -1.05 0.00 0.00 32.46 31.30 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 -2.17 0.00 0.00 2.89 4.07 -1.26 -5.08 120.64 119.09 1cfp n GLU 21 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1cfp n GLU 21 Cb 0.64 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.02 1cfp n GLU 21 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1cfp n GLY 22 N -0.04 -2.34 0.00 8.31 0.00 -1.26 -4.99 105.19 104.87 1cfp n GLY 22 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1cfp n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cfp n ASP 23 N 0.00 -0.03 -0.10 1.61 9.92 -1.26 -4.98 116.55 121.71 1cfp n ASP 23 Ca 0.00 -0.03 -0.17 0.00 -0.53 0.00 0.00 54.79 54.06 1cfp n ASP 23 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1cfp n ASP 23 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1cfp n LYS 24 N -0.05 0.54 -2.96 -1.24 5.02 -1.26 -4.48 118.16 113.72 1cfp n LYS 24 Ca 0.00 0.43 -0.17 0.00 -2.02 0.00 0.00 58.31 56.55 1cfp n LYS 24 Cb 0.00 -1.62 -0.01 0.00 -0.02 0.00 0.00 35.03 33.38 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 -4.44 1.16 -3.64 2.13 8.25 -1.25 -4.24 115.22 113.19 1cfp n HIS 25 Ca -0.28 -3.50 -0.13 0.00 -0.26 0.00 0.00 57.72 53.55 1cfp n HIS 25 Cb 0.59 -0.39 -0.06 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.83 0.95 0.16 -0.41 2.36 -1.26 -4.74 119.74 113.97 1cfp s LYS 26 Ca 0.38 -0.33 0.07 0.00 -2.55 0.00 0.00 55.97 53.54 1cfp s LYS 26 Cb 0.38 0.42 -0.04 0.00 -1.05 0.00 0.00 37.83 37.54 1cfp s LYS 26 CO -0.06 -0.33 0.02 -0.51 1.55 0.00 0.00 175.35 176.03 1cfp s LEU 27 N -1.99 3.42 0.10 5.43 2.01 0.57 -4.32 118.68 123.92 1cfp s LEU 27 Ca -0.05 -0.32 -0.02 0.00 0.01 0.00 0.00 54.13 53.75 1cfp s LEU 27 Cb -0.01 -2.08 -0.04 0.00 0.01 0.00 0.00 46.19 44.08 1cfp s LEU 27 CO -0.02 0.10 0.04 -0.75 1.01 0.00 0.00 176.35 176.73 1cfp s LYS 28 N -2.88 0.83 0.24 1.70 2.20 -1.25 -0.87 119.74 119.70 1cfp s LYS 28 Ca 0.28 -1.33 -0.15 0.00 -0.36 0.00 0.00 55.97 54.41 1cfp s LYS 28 Cb -0.10 0.24 0.29 0.00 -1.51 0.00 0.00 37.83 36.76 1cfp s LYS 28 CO 0.19 -0.22 1.56 0.87 -0.36 0.00 0.00 175.35 177.40 1cfp h LYS 29 N 2.94 -0.02 -0.33 4.03 1.57 -1.94 1.49 116.57 124.31 1cfp h LYS 29 Ca -0.34 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.50 1cfp h LYS 29 Cb 1.18 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.41 1cfp h LYS 29 CO 0.61 -0.02 -0.37 0.77 -0.57 0.00 0.00 179.45 179.87 1cfp h SER 30 N -0.02 -1.22 -0.45 0.86 0.02 -1.99 1.10 113.55 111.85 1cfp h SER 30 Ca 0.37 0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.49 1cfp h SER 30 Cb 0.62 0.54 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1cfp h SER 30 CO -0.93 -0.36 0.20 -0.33 -1.14 0.00 0.00 176.83 174.27 1cfp h GLU 31 N -0.33 0.65 0.02 3.45 5.08 -0.56 -2.82 114.58 120.08 1cfp h GLU 31 Ca 0.14 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1cfp h GLU 31 Cb 0.57 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1cfp h GLU 31 CO -0.51 0.58 -0.30 -0.07 -1.00 0.00 0.00 179.01 177.70 1cfp h LEU 32 N 0.58 -0.90 -0.42 1.33 -0.00 0.39 0.60 115.31 116.88 1cfp h LEU 32 Ca 0.15 0.12 0.05 0.00 -0.00 0.00 0.00 57.88 58.19 1cfp h LEU 32 Cb 0.16 0.36 -0.07 0.00 -0.00 0.00 0.00 40.66 41.10 1cfp h LEU 32 CO -0.02 -0.37 -0.46 0.11 -0.00 0.00 0.00 178.44 177.70 1cfp h LYS 33 N -0.47 -0.25 -0.76 1.13 1.79 0.13 1.15 116.57 119.29 1cfp h LYS 33 Ca 0.06 0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.66 1cfp h LYS 33 Cb 0.54 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.20 1cfp h LYS 33 CO -0.24 -0.17 0.50 0.93 -1.08 0.00 0.00 179.45 179.39 1cfp h GLU 34 N -0.26 0.55 0.00 3.15 4.39 -1.22 0.39 114.58 121.58 1cfp h GLU 34 Ca 0.07 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1cfp h GLU 34 Cb 0.45 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1cfp h GLU 34 CO -0.54 0.36 -0.09 1.25 -1.16 0.00 0.00 179.01 178.84 1cfp h LEU 35 N 0.57 0.00 0.12 1.33 6.46 0.68 0.41 115.31 124.87 1cfp h LEU 35 Ca 0.37 0.00 -0.36 0.00 -0.12 0.00 0.00 57.88 57.76 1cfp h LEU 35 Cb 0.64 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 1cfp h LEU 35 CO -0.13 0.09 -2.00 -0.38 -0.62 0.00 0.00 178.44 175.40 1cfp n ILE 36 N -3.65 1.77 0.81 4.05 5.41 0.17 -4.08 119.36 123.84 1cfp n ILE 36 Ca -0.02 -0.63 0.12 0.00 1.00 0.00 0.00 62.75 63.22 1cfp n ILE 36 Cb 0.20 -1.73 0.21 0.00 -0.71 0.00 0.00 39.64 37.61 1cfp n ILE 36 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1cfp n ASN 37 N -3.51 0.56 -0.02 4.38 4.13 -0.55 -1.69 115.26 118.57 1cfp n ASN 37 Ca -0.33 -0.09 0.12 0.00 1.68 0.00 0.00 54.58 55.96 1cfp n ASN 37 Cb 1.03 0.24 0.28 0.00 -1.54 0.00 0.00 39.78 39.80 1cfp n ASN 37 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1cfp n ASN 38 N -1.75 0.52 0.08 6.41 4.13 0.14 -4.57 115.26 120.22 1cfp n ASN 38 Ca 0.04 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.03 1cfp n ASN 38 Cb 0.38 0.20 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 1cfp n ASN 38 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1cfp n GLU 39 N -1.42 0.00 -1.24 3.52 1.02 -1.25 -4.88 120.64 116.39 1cfp n GLU 39 Ca 0.06 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.84 1cfp n GLU 39 Cb 0.34 -0.13 -0.02 0.00 -0.02 0.00 0.00 31.44 31.60 1cfp n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1cfp n LEU 40 N -3.17 7.11 -0.35 -4.62 4.77 -0.68 -4.66 117.00 115.40 1cfp n LEU 40 Ca 0.00 -3.85 0.09 0.00 -0.03 0.00 0.00 56.01 52.22 1cfp n LEU 40 Cb 0.05 -1.43 0.26 0.00 -2.33 0.00 0.00 43.42 39.97 1cfp n LEU 40 CO 0.00 1.34 1.21 0.28 -1.33 0.00 0.00 177.39 178.89 1cfp h SER 41 N 5.75 0.85 -0.95 -1.43 0.02 -1.81 -0.83 113.55 115.15 1cfp h SER 41 Ca 0.69 0.07 0.23 0.00 -0.84 0.00 0.00 61.79 61.94 1cfp h SER 41 Cb 0.35 -0.10 -0.12 0.00 0.14 0.00 0.00 62.40 62.67 1cfp h SER 41 CO 1.74 0.40 0.51 0.45 -1.14 0.00 0.00 176.83 178.79 1cfp h HIS 42 N 0.89 0.86 0.00 3.45 3.86 -1.93 1.01 115.15 123.30 1cfp h HIS 42 Ca 0.52 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.77 1cfp h HIS 42 Cb 0.63 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1cfp h HIS 42 CO -0.01 0.03 0.00 1.19 0.86 0.00 0.00 177.93 180.00 1cfp n PHE 43 N -4.94 0.70 -0.39 2.45 3.72 -0.33 -3.19 117.46 115.47 1cfp n PHE 43 Ca 0.24 0.22 0.36 0.00 -0.05 0.00 0.00 57.45 58.23 1cfp n PHE 43 Cb 0.69 -0.86 0.72 0.00 -0.94 0.00 0.00 39.48 39.08 1cfp n PHE 43 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1cfp h LEU 44 N 0.00 0.09 0.04 4.37 5.85 0.12 2.05 115.31 127.84 1cfp h LEU 44 Ca 0.00 0.03 -0.29 0.00 0.84 0.00 0.00 57.88 58.45 1cfp h LEU 44 Cb 0.59 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1cfp h LEU 44 CO 0.00 -0.00 -1.62 -0.33 -0.34 0.00 0.00 178.44 176.15 1cfp h GLU 45 N 0.07 0.09 0.00 1.25 3.07 -1.66 -3.47 114.58 113.93 1cfp h GLU 45 Ca 0.65 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1cfp h GLU 45 Cb 2.40 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 30.37 1cfp h GLU 45 CO -0.09 0.79 0.00 -1.91 -1.40 0.00 0.00 179.01 176.40 1cfp n GLU 46 N -3.23 0.00 -0.04 2.33 4.07 0.69 -4.30 120.64 120.16 1cfp n GLU 46 Ca -0.17 0.00 0.23 0.00 -0.06 0.00 0.00 57.16 57.16 1cfp n GLU 46 Cb 1.03 0.00 0.52 0.00 -0.06 0.00 0.00 31.44 32.93 1cfp n GLU 46 CO 0.00 0.00 0.00 0.97 -0.06 0.00 0.00 177.13 178.04 1cfp h ILE 47 N 0.00 0.11 -0.88 6.31 6.09 -1.91 0.64 117.51 127.87 1cfp h ILE 47 Ca 0.00 0.00 0.25 0.00 -1.37 0.00 0.00 64.86 63.74 1cfp h ILE 47 Cb 0.00 0.24 -0.04 0.00 0.47 0.00 0.00 36.82 37.50 1cfp h ILE 47 CO 0.00 0.00 1.02 0.11 -3.07 0.00 0.00 178.15 176.21 1cfp h LYS 48 N 0.00 0.00 -1.60 2.19 1.79 -1.85 -3.11 116.57 113.99 1cfp h LYS 48 Ca 0.33 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.53 1cfp h LYS 48 Cb 2.15 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 32.54 1cfp h LYS 48 CO -0.00 0.00 -0.62 -1.83 -1.08 0.00 0.00 179.45 175.92 1cfp s GLU 49 N -4.49 0.76 0.07 3.15 1.03 0.22 -5.05 118.70 114.40 1cfp s GLU 49 Ca -0.03 -0.81 -0.17 0.00 0.03 0.00 0.00 54.97 53.98 1cfp s GLU 49 Cb 0.15 -0.47 -0.06 0.00 -0.80 0.00 0.00 34.13 32.95 1cfp s GLU 49 CO 0.49 -1.23 1.28 1.96 -1.33 0.00 0.00 175.26 176.44 1cfp h GLN 50 N 6.69 -0.21 -1.27 -4.83 1.08 -1.70 0.17 115.11 115.04 1cfp h GLN 50 Ca 0.07 0.01 0.38 0.00 -1.45 0.00 0.00 58.65 57.66 1cfp h GLN 50 Cb 1.09 0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 28.47 1cfp h GLN 50 CO 0.16 -0.14 0.86 1.49 -0.95 0.00 0.00 178.83 180.24 1cfp h GLU 51 N -0.22 0.15 -0.05 1.46 4.81 -1.94 0.31 114.58 119.11 1cfp h GLU 51 Ca 0.03 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 1cfp h GLU 51 Cb 0.31 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.67 1cfp h GLU 51 CO -0.29 0.10 -0.54 0.28 -0.73 0.00 0.00 179.01 177.83 1cfp h VAL 52 N 0.15 1.40 -1.16 0.32 2.07 -1.06 -2.17 116.25 115.79 1cfp h VAL 52 Ca 0.70 -1.94 0.33 0.00 0.82 0.00 0.00 66.70 66.61 1cfp h VAL 52 Cb 2.30 2.40 -0.08 0.00 -1.52 0.00 0.00 31.29 34.39 1cfp h VAL 52 CO -0.24 0.57 0.78 0.58 0.02 0.00 0.00 177.57 179.29 1cfp h VAL 53 N -0.01 0.41 -0.14 2.57 2.07 0.20 1.87 116.25 123.22 1cfp h VAL 53 Ca -0.05 -0.07 -0.19 0.00 0.82 0.00 0.00 66.70 67.21 1cfp h VAL 53 Cb 1.22 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1cfp h VAL 53 CO 0.11 0.04 -0.65 -0.78 0.02 0.00 0.00 177.57 176.30 1cfp h ASP 54 N 0.20 0.82 0.10 0.57 1.82 -1.15 -2.68 116.42 116.09 1cfp h ASP 54 Ca 0.63 -0.63 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1cfp h ASP 54 Cb 2.00 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 41.77 1cfp h ASP 54 CO -0.20 1.31 -0.05 0.11 -1.61 0.00 0.00 179.24 178.80 1cfp h LYS 55 N 0.37 -0.13 -0.92 0.28 6.56 0.28 0.33 116.57 123.35 1cfp h LYS 55 Ca -0.04 0.01 0.16 0.00 -1.06 0.00 0.00 60.65 59.72 1cfp h LYS 55 Cb 1.29 0.03 -0.16 0.00 -0.57 0.00 0.00 32.23 32.82 1cfp h LYS 55 CO 0.14 -0.09 -0.32 0.28 -2.06 0.00 0.00 179.45 177.40 1cfp h VAL 56 N -0.68 0.05 -0.23 0.50 2.07 0.17 0.42 116.25 118.54 1cfp h VAL 56 Ca -0.01 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.33 1cfp h VAL 56 Cb 0.11 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1cfp h VAL 56 CO 0.02 0.00 -0.55 0.24 0.02 0.00 0.00 177.57 177.30 1cfp h MET 57 N -0.02 0.69 0.01 1.57 2.86 -1.60 -2.68 114.93 115.75 1cfp h MET 57 Ca 0.37 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1cfp h MET 57 Cb 0.62 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1cfp h MET 57 CO -0.94 1.06 -0.08 1.49 1.06 0.00 0.00 176.91 179.50 1cfp h GLU 58 N 0.53 -0.10 -0.05 1.72 4.57 0.20 0.22 114.58 121.66 1cfp h GLU 58 Ca 0.01 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1cfp h GLU 58 Cb 1.12 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.69 1cfp h GLU 58 CO 0.11 -0.07 -0.21 1.15 -1.18 0.00 0.00 179.01 178.81 1cfp h THR 59 N -0.11 0.50 -1.05 0.32 2.02 -1.36 -0.71 112.91 112.52 1cfp h THR 59 Ca -0.00 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.45 1cfp h THR 59 Cb 0.11 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 66.92 1cfp h THR 59 CO -0.04 0.00 0.67 0.25 0.37 0.00 0.00 175.52 176.76 1cfp h LEU 60 N -0.30 0.47 -0.51 2.58 6.46 -1.29 2.26 115.31 124.97 1cfp h LEU 60 Ca 0.08 0.09 0.08 0.00 -0.12 0.00 0.00 57.88 58.01 1cfp h LEU 60 Cb 0.41 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.29 1cfp h LEU 60 CO -0.23 0.08 0.14 -0.78 -0.62 0.00 0.00 178.44 177.03 1cfp h ASP 61 N 0.40 0.08 0.00 1.25 3.58 0.10 -3.28 116.42 118.56 1cfp h ASP 61 Ca 0.61 0.08 0.00 0.00 0.42 0.00 0.00 57.03 58.14 1cfp h ASP 61 Cb 1.51 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.65 1cfp h ASP 61 CO -0.32 0.07 -0.44 -1.54 -2.88 0.00 0.00 179.24 174.13 1cfp n SER 62 N -5.07 1.44 -0.93 2.28 3.41 0.13 -4.94 113.62 109.94 1cfp n SER 62 Ca 0.06 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1cfp n SER 62 Cb 0.24 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1cfp n SER 62 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1cfp n ASP 63 N -4.11 0.00 0.00 4.04 -0.08 0.72 -1.53 116.55 115.58 1cfp n ASP 63 Ca -0.06 0.47 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1cfp n ASP 63 Cb 0.23 -0.71 0.00 0.00 2.34 0.00 0.00 41.12 42.98 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 1.70 0.00 1.26 0.27 0.00 -1.26 -4.35 105.19 102.81 1cfp n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -1.68 0.00 1.61 2.03 -0.58 -4.28 116.55 113.65 1cfp n ASP 65 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1cfp n ASP 65 Cb 0.00 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 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 -0.50 0.74 2.54 0.27 0.00 -1.26 -4.90 105.19 102.08 1cfp n GLY 66 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1cfp n GLY 66 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1cfp n GLU 67 N -2.15 0.57 -3.04 1.61 2.13 -1.26 -5.04 120.64 113.46 1cfp n GLU 67 Ca 0.00 -2.49 -0.44 0.00 0.66 0.00 0.00 57.16 54.89 1cfp n GLU 67 Cb 0.02 -1.45 -0.00 0.00 0.27 0.00 0.00 31.44 30.28 1cfp n GLU 67 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cfp n ASP 69 N 4.98 1.04 0.00 0.00 9.92 -1.26 0.21 116.55 131.44 1cfp n ASP 69 Ca 0.33 -1.97 0.00 0.00 -0.53 0.00 0.00 54.79 52.62 1cfp n ASP 69 Cb 0.42 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 1cfp n ASP 69 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1cfp n PHE 70 N -3.10 0.00 0.19 1.24 3.01 -1.26 0.30 117.46 117.85 1cfp n PHE 70 Ca 0.16 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.72 1cfp n PHE 70 Cb 0.59 -0.02 0.48 0.00 -0.01 0.00 0.00 39.48 40.52 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 -0.84 0.13 0.10 -1.08 -0.00 -1.26 -1.85 117.38 112.57 1cfp n GLN 71 Ca 0.00 0.57 -0.22 0.00 -0.00 0.00 0.00 57.00 57.35 1cfp n GLN 71 Cb 0.00 -1.87 -0.14 0.00 -0.00 0.00 0.00 30.24 28.23 1cfp n GLN 71 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1cfp h GLU 72 N 0.00 0.53 -0.69 2.61 5.08 0.44 0.20 114.58 122.75 1cfp h GLU 72 Ca 0.00 -0.79 -0.06 0.00 -1.00 0.00 0.00 59.36 57.51 1cfp h GLU 72 Cb 0.07 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1cfp h GLU 72 CO 0.00 1.36 0.20 0.35 -1.00 0.00 0.00 179.01 179.92 1cfp h PHE 73 N 0.10 1.13 0.00 4.33 3.57 -0.18 -1.77 116.94 124.12 1cfp h PHE 73 Ca -0.20 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.15 1cfp h PHE 73 Cb 1.91 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 40.32 1cfp h PHE 73 CO 0.14 0.91 -0.15 0.52 -2.23 0.00 0.00 178.31 177.50 1cfp h MET 74 N 1.02 0.00 0.69 1.11 2.86 -1.58 -2.52 114.93 116.51 1cfp h MET 74 Ca 0.22 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1cfp h MET 74 Cb 0.32 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.99 1cfp h MET 74 CO -0.00 0.15 -0.33 0.00 1.06 0.00 0.00 176.91 177.79 1cfp h ALA 75 N 1.85 -0.92 -0.09 6.32 0.00 0.26 -2.57 119.26 124.10 1cfp h ALA 75 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1cfp h ALA 75 Cb 1.05 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1cfp h ALA 75 CO 0.02 -0.86 -0.37 0.35 0.00 0.00 0.00 179.25 178.39 1cfp h PHE 76 N -1.23 0.55 -0.95 0.00 3.57 -1.52 -1.66 116.94 115.70 1cfp h PHE 76 Ca -0.09 -0.23 0.27 0.00 3.53 0.00 0.00 57.97 61.44 1cfp h PHE 76 Cb 0.71 -0.09 -0.14 0.00 2.79 0.00 0.00 35.95 39.23 1cfp h PHE 76 CO 0.00 0.98 0.43 -0.24 -2.23 0.00 0.00 178.31 177.24 1cfp h VAL 77 N -0.04 0.34 -0.32 1.41 3.04 -1.56 2.38 116.25 121.50 1cfp h VAL 77 Ca -0.02 -0.11 -0.15 0.00 -1.01 0.00 0.00 66.70 65.42 1cfp h VAL 77 Cb 1.01 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 1cfp h VAL 77 CO 0.08 0.06 -0.39 0.00 -1.01 0.00 0.00 177.57 176.30 1cfp h ALA 78 N 1.80 0.71 0.00 3.17 0.00 -1.34 -2.44 119.26 121.16 1cfp h ALA 78 Ca 0.64 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1cfp h ALA 78 Cb 1.35 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1cfp h ALA 78 CO -0.61 0.66 -0.12 1.98 0.00 0.00 0.00 179.25 181.17 1cfp h MET 79 N 0.62 0.00 0.27 0.00 -1.53 0.46 -0.64 114.93 114.12 1cfp h MET 79 Ca 0.05 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.30 1cfp h MET 79 Cb 0.94 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.99 1cfp h MET 79 CO 0.09 0.12 -0.13 0.82 0.14 0.00 0.00 176.91 177.95 1cfp h ILE 80 N 0.00 0.00 -0.21 1.77 2.04 0.94 -2.29 117.51 119.76 1cfp h ILE 80 Ca -0.00 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.60 1cfp h ILE 80 Cb 0.23 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1cfp h ILE 80 CO 0.02 0.00 0.33 0.74 0.00 0.00 0.00 178.15 179.24 1cfp h THR 81 N -0.68 0.27 -0.05 -0.27 2.02 -1.41 -0.66 112.91 112.13 1cfp h THR 81 Ca -0.04 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 1cfp h THR 81 Cb 0.28 0.72 0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1cfp h THR 81 CO 0.06 0.00 -0.51 0.71 0.37 0.00 0.00 175.52 176.15 1cfp h THR 82 N 0.00 1.41 -0.25 3.16 1.35 -1.06 -3.29 112.91 114.23 1cfp h THR 82 Ca 0.10 -1.92 0.05 0.00 -0.55 0.00 0.00 66.41 64.09 1cfp h THR 82 Cb 0.76 2.41 -0.05 0.00 -1.73 0.00 0.00 68.15 69.54 1cfp h THR 82 CO -0.00 0.56 -0.08 0.00 -0.25 0.00 0.00 175.52 175.76 1cfp h ALA 83 N 0.39 0.15 -1.02 6.62 0.00 -0.51 -1.15 119.26 123.74 1cfp h ALA 83 Ca -0.05 0.10 0.31 0.00 0.00 0.00 0.00 54.91 55.26 1cfp h ALA 83 Cb 1.18 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 19.05 1cfp h ALA 83 CO 0.10 -0.48 0.59 0.00 0.00 0.00 0.00 179.25 179.46 1cfp n HIS 85 N -4.98 -3.54 0.00 0.00 -0.00 -0.44 -5.00 115.22 101.26 1cfp n HIS 85 Ca 0.31 2.07 0.00 0.00 0.46 0.00 0.00 57.72 60.56 1cfp n HIS 85 Cb 0.94 -3.26 0.00 0.00 -0.12 0.00 0.00 29.99 27.56 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 1.92 0.00 0.00 1.57 1.02 -1.26 -5.15 120.64 118.74 1cfp n GLU 86 Ca -0.27 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1cfp n GLU 86 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 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 0.00 0.00 -2.17 -0.32 1.16 -1.26 -4.98 117.46 109.89 1cfp n PHE 87 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.39 1cfp n PHE 87 Cb 0.00 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.84 1cfp n PHE 87 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 1cfp n PHE 88 N 0.13 -0.84 0.00 2.97 3.01 -1.26 -4.62 117.46 116.85 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 -3.53 0.00 0.00 -0.01 0.00 0.00 39.48 35.94 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 -2.76 0.00 0.03 -1.08 4.07 -1.26 -4.95 120.64 114.69 1cfp n GLU 89 Ca -0.21 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.76 1cfp n GLU 89 Cb 0.65 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.94 1cfp n GLU 89 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1cfp h HIS 90 N 0.00 -0.07 0.00 4.31 3.86 -1.98 -3.49 115.15 117.78 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 0.00 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1cfp h HIS 90 CO 0.00 0.29 0.00 -1.91 0.86 0.00 0.00 177.93 177.17