#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 -1.92 6.12 0.02 -2.05 -3.30 113.55 112.42 1cfp h SER 1 Ca 0.00 0.00 0.56 0.00 -0.84 0.00 0.00 61.79 61.51 1cfp h SER 1 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 1cfp h SER 1 CO 0.00 0.00 1.41 -0.33 -1.14 0.00 0.00 176.83 176.77 1cfp h GLU 2 N 0.00 0.00 0.17 3.45 5.08 -2.05 0.57 114.58 121.80 1cfp h GLU 2 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1cfp h GLU 2 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1cfp h GLU 2 CO 0.00 0.00 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.86 1cfp h LEU 3 N 0.00 -0.19 -1.91 1.33 4.07 -1.98 -0.57 115.31 116.05 1cfp h LEU 3 Ca 0.91 0.01 0.26 0.00 0.08 0.00 0.00 57.88 59.14 1cfp h LEU 3 Cb 3.73 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 45.47 1cfp h LEU 3 CO -0.01 0.16 0.65 -0.08 -1.08 0.00 0.00 178.44 178.08 1cfp h GLU 4 N -0.81 0.06 0.22 1.13 4.81 -1.24 1.11 114.58 119.86 1cfp h GLU 4 Ca -0.02 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1cfp h GLU 4 Cb 0.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1cfp h GLU 4 CO 0.04 0.04 -0.11 0.87 -0.73 0.00 0.00 179.01 179.12 1cfp h LYS 5 N 0.06 -0.28 -0.14 1.92 1.79 -1.03 0.31 116.57 119.19 1cfp h LYS 5 Ca 0.44 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.98 1cfp h LYS 5 Cb 1.67 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.37 1cfp h LYS 5 CO -0.04 0.03 0.12 0.00 -1.08 0.00 0.00 179.45 178.48 1cfp h ALA 6 N -0.66 1.96 0.16 3.86 0.00 0.22 -1.23 119.26 123.58 1cfp h ALA 6 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1cfp h ALA 6 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1cfp h ALA 6 CO 0.05 -0.20 -0.08 0.28 0.00 0.00 0.00 179.25 179.31 1cfp h VAL 7 N 0.00 0.96 -1.18 0.00 2.07 0.14 -2.55 116.25 115.68 1cfp h VAL 7 Ca 0.07 -0.92 0.34 0.00 0.82 0.00 0.00 66.70 67.02 1cfp h VAL 7 Cb 0.31 1.48 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 1cfp h VAL 7 CO -0.00 0.20 0.78 0.58 0.02 0.00 0.00 177.57 179.15 1cfp h VAL 8 N -0.69 0.35 -0.50 2.57 2.07 0.82 1.24 116.25 122.11 1cfp h VAL 8 Ca -0.02 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 1cfp h VAL 8 Cb 0.50 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1cfp h VAL 8 CO 0.04 0.04 -0.14 0.00 0.02 0.00 0.00 177.57 177.53 1cfp h ALA 9 N 1.57 0.69 -0.98 1.67 0.00 -1.16 -2.90 119.26 118.15 1cfp h ALA 9 Ca 0.68 -0.36 0.11 0.00 0.00 0.00 0.00 54.91 55.35 1cfp h ALA 9 Cb 2.04 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.58 1cfp h ALA 9 CO -0.29 0.62 0.62 -0.07 0.00 0.00 0.00 179.25 180.13 1cfp h LEU 10 N 0.83 0.89 -1.49 0.00 3.38 0.20 0.15 115.31 119.28 1cfp h LEU 10 Ca 0.12 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1cfp h LEU 10 Cb 0.71 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1cfp h LEU 10 CO 0.05 0.49 -0.22 0.16 0.09 0.00 0.00 178.44 179.01 1cfp h ILE 11 N 0.96 1.17 -0.10 1.22 -0.00 -1.26 -2.13 117.51 117.37 1cfp h ILE 11 Ca 0.47 -0.82 -0.19 0.00 -0.00 0.00 0.00 64.86 64.33 1cfp h ILE 11 Cb 0.48 1.39 -0.00 0.00 -0.00 0.00 0.00 36.82 38.69 1cfp h ILE 11 CO -0.24 0.24 -0.72 -0.78 -0.00 0.00 0.00 178.15 176.65 1cfp h ASP 12 N 0.05 0.59 0.28 2.16 1.82 -0.69 -2.61 116.42 118.03 1cfp h ASP 12 Ca 0.01 -0.38 -0.01 0.00 -0.39 0.00 0.00 57.03 56.25 1cfp h ASP 12 Cb 0.42 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1cfp h ASP 12 CO 0.03 1.13 -0.14 0.58 -1.61 0.00 0.00 179.24 179.24 1cfp h VAL 13 N 0.35 0.00 -0.78 2.25 2.07 -0.59 -2.83 116.25 116.72 1cfp h VAL 13 Ca -0.03 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.60 1cfp h VAL 13 Cb 1.31 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.94 1cfp h VAL 13 CO 0.13 0.00 -0.09 -0.26 0.02 0.00 0.00 177.57 177.37 1cfp h PHE 14 N -0.44 -0.22 -0.95 1.57 0.04 -1.58 0.68 116.94 116.05 1cfp h PHE 14 Ca -0.04 0.06 0.15 0.00 2.80 0.00 0.00 57.97 60.94 1cfp h PHE 14 Cb 0.29 0.22 -0.15 0.00 2.20 0.00 0.00 35.95 38.51 1cfp h PHE 14 CO 0.13 -0.30 -0.36 1.58 -0.60 0.00 0.00 178.31 178.76 1cfp n HIS 15 N -5.44 0.06 -0.06 -0.55 -0.00 -0.98 0.19 115.22 108.43 1cfp n HIS 15 Ca 0.13 1.16 -0.06 0.00 0.46 0.00 0.00 57.72 59.41 1cfp n HIS 15 Cb 0.46 -0.87 -0.04 0.00 -0.12 0.00 0.00 29.99 29.42 1cfp n HIS 15 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1cfp h GLN 16 N 0.00 0.00 -0.58 1.57 4.20 -0.46 0.43 115.11 120.27 1cfp h GLN 16 Ca 0.34 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.15 1cfp h GLN 16 Cb 0.58 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.25 1cfp h GLN 16 CO -0.94 0.31 -0.38 1.88 -0.67 0.00 0.00 178.83 179.03 1cfp h TYR 17 N -1.00 -1.10 -0.00 2.96 -1.99 0.75 2.90 116.97 119.49 1cfp h TYR 17 Ca -0.03 0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1cfp h TYR 17 Cb 0.44 0.57 0.00 0.00 2.00 0.00 0.00 36.73 39.73 1cfp h TYR 17 CO 0.03 -0.40 -0.39 0.45 -0.00 0.00 0.00 178.16 177.85 1cfp n SER 18 N -5.42 0.80 -0.09 3.88 2.88 0.50 -4.19 113.62 111.97 1cfp n SER 18 Ca 0.03 -0.61 -0.11 0.00 -1.33 0.00 0.00 58.87 56.85 1cfp n SER 18 Cb 0.35 0.21 -0.10 0.00 -0.75 0.00 0.00 64.21 63.92 1cfp n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cfp n GLY 19 N 1.42 -0.48 3.38 0.46 0.00 0.14 -3.99 105.19 106.12 1cfp n GLY 19 Ca 0.09 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.87 0.51 -2.03 1.61 1.85 0.95 -4.54 116.66 112.14 1cfp n ARG 20 Ca -0.31 -1.34 0.00 0.00 -1.00 0.00 0.00 57.85 55.20 1cfp n ARG 20 Cb 0.93 -2.75 0.00 0.00 -1.05 0.00 0.00 32.46 29.59 1cfp n ARG 20 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1cfp n GLU 21 N 7.71 -5.22 0.00 2.89 1.02 -1.26 -4.95 120.64 120.82 1cfp n GLU 21 Ca 0.47 3.70 0.00 0.00 -0.02 0.00 0.00 57.16 61.31 1cfp n GLU 21 Cb 0.42 -4.06 0.00 0.00 -0.02 0.00 0.00 31.44 27.78 1cfp n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cfp n GLY 22 N 1.59 2.58 7.00 0.62 0.00 -1.26 -4.95 105.19 110.77 1cfp n GLY 22 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.41 0.00 1.61 -0.08 -1.26 -4.53 116.55 111.88 1cfp n ASP 23 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cfp n ASP 23 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 -0.08 0.00 -2.65 -0.67 5.02 -1.26 -4.75 118.16 113.78 1cfp n LYS 24 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 1cfp n LYS 24 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.80 3.35 -3.73 2.13 8.25 -1.26 -4.02 115.22 119.14 1cfp n HIS 25 Ca 0.00 -3.13 -0.13 0.00 -0.26 0.00 0.00 57.72 54.20 1cfp n HIS 25 Cb 0.00 -0.81 -0.10 0.00 1.12 0.00 0.00 29.99 30.20 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 -3.90 0.52 0.51 -0.41 3.01 -1.26 -4.37 119.74 113.85 1cfp s LYS 26 Ca 0.45 0.43 0.08 0.00 -1.01 0.00 0.00 55.97 55.92 1cfp s LYS 26 Cb 0.28 0.25 0.04 0.00 -1.01 0.00 0.00 37.83 37.39 1cfp s LYS 26 CO -0.17 -0.08 0.57 -0.51 0.51 0.00 0.00 175.35 175.66 1cfp s LEU 27 N -0.08 3.12 0.14 3.17 2.01 0.46 -4.60 118.68 122.91 1cfp s LEU 27 Ca -0.03 -0.88 -0.10 0.00 0.01 0.00 0.00 54.13 53.13 1cfp s LEU 27 Cb -0.03 -1.73 -0.00 0.00 0.01 0.00 0.00 46.19 44.44 1cfp s LEU 27 CO 0.01 -1.06 0.28 -0.54 1.01 0.00 0.00 176.35 176.06 1cfp s LYS 28 N -4.41 1.08 0.16 1.70 1.02 -1.26 -1.46 119.74 116.58 1cfp s LYS 28 Ca 0.50 -1.06 -0.28 0.00 0.02 0.00 0.00 55.97 55.15 1cfp s LYS 28 Cb -0.05 0.38 -0.01 0.00 -0.52 0.00 0.00 37.83 37.63 1cfp s LYS 28 CO 0.31 -0.39 1.56 0.87 -0.92 0.00 0.00 175.35 176.77 1cfp h LYS 29 N 2.56 -0.22 -0.59 1.68 1.57 -1.91 1.17 116.57 120.83 1cfp h LYS 29 Ca -0.32 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.59 1cfp h LYS 29 Cb 1.22 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.47 1cfp h LYS 29 CO 0.49 -0.15 -0.21 1.03 -0.57 0.00 0.00 179.45 180.05 1cfp h SER 30 N -0.23 -0.74 -0.10 0.86 0.87 -1.99 0.69 113.55 112.91 1cfp h SER 30 Ca 0.15 0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.83 1cfp h SER 30 Cb 0.55 0.43 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 1cfp h SER 30 CO -0.72 -0.24 -0.17 -0.33 -0.53 0.00 0.00 176.83 174.84 1cfp h GLU 31 N -0.06 0.48 -0.02 2.24 5.08 -1.20 -2.82 114.58 118.28 1cfp h GLU 31 Ca 0.28 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1cfp h GLU 31 Cb 0.49 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1cfp h GLU 31 CO -0.64 0.63 0.01 1.25 -1.00 0.00 0.00 179.01 179.26 1cfp h LEU 32 N 0.43 0.03 -0.35 1.33 5.85 0.59 0.23 115.31 123.43 1cfp h LEU 32 Ca 0.08 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1cfp h LEU 32 Cb 0.55 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 1cfp h LEU 32 CO 0.04 0.25 -0.31 0.50 -0.34 0.00 0.00 178.44 178.58 1cfp h LYS 33 N -0.18 -0.25 -0.56 1.25 3.11 0.31 0.27 116.57 120.52 1cfp h LYS 33 Ca 0.01 0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.90 1cfp h LYS 33 Cb 0.23 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.48 1cfp h LYS 33 CO 0.00 -0.17 0.33 1.49 -2.81 0.00 0.00 179.45 178.29 1cfp h GLU 34 N -0.26 0.62 -0.46 1.90 4.81 -1.37 -1.02 114.58 118.80 1cfp h GLU 34 Ca 0.16 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.43 1cfp h GLU 34 Cb 0.53 -0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.67 1cfp h GLU 34 CO -0.50 0.41 -0.41 1.25 -0.73 0.00 0.00 179.01 179.04 1cfp h LEU 35 N 0.64 -1.37 -0.26 1.64 6.46 0.27 2.18 115.31 124.87 1cfp h LEU 35 Ca 0.23 0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 58.17 1cfp h LEU 35 Cb 0.05 0.61 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1cfp h LEU 35 CO -0.11 -0.35 0.02 0.40 -0.62 0.00 0.00 178.44 177.78 1cfp h ILE 36 N -0.28 1.24 0.00 4.05 1.08 -0.43 -2.58 117.51 120.59 1cfp h ILE 36 Ca 0.16 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1cfp h ILE 36 Cb 0.57 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1cfp h ILE 36 CO -0.60 0.27 0.00 -1.13 -0.69 0.00 0.00 178.15 176.00 1cfp h ASN 37 N 0.24 0.00 1.00 1.72 -1.24 -0.23 0.76 115.58 117.83 1cfp h ASN 37 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1cfp h ASN 37 Cb 0.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1cfp h ASN 37 CO 0.01 0.00 -0.15 0.59 -1.29 0.00 0.00 177.43 176.59 1cfp n ASN 38 N -3.00 0.34 -0.01 1.15 4.13 0.73 -3.42 115.26 115.18 1cfp n ASN 38 Ca 0.00 0.34 -0.02 0.00 1.68 0.00 0.00 54.58 56.59 1cfp n ASN 38 Cb 0.28 -0.36 -0.01 0.00 -1.54 0.00 0.00 39.78 38.15 1cfp n ASN 38 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1cfp n GLU 39 N -1.73 0.05 -3.34 3.52 0.28 -0.77 -4.88 120.64 113.77 1cfp n GLU 39 Ca 0.06 0.01 -0.26 0.00 -0.16 0.00 0.00 57.16 56.81 1cfp n GLU 39 Cb 0.37 -1.03 -0.08 0.00 1.43 0.00 0.00 31.44 32.13 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 -2.58 2.59 -0.33 -1.84 4.77 0.26 -4.91 117.00 114.96 1cfp n LEU 40 Ca -0.04 -5.20 0.32 0.00 -0.03 0.00 0.00 56.01 51.06 1cfp n LEU 40 Cb 0.54 -0.24 0.68 0.00 -2.33 0.00 0.00 43.42 42.07 1cfp n LEU 40 CO 0.02 2.06 1.29 -1.28 -1.33 0.00 0.00 177.39 178.16 1cfp h SER 41 N 4.11 0.14 -0.94 -1.43 0.87 -1.71 0.76 113.55 115.34 1cfp h SER 41 Ca 0.16 0.03 0.23 0.00 -1.23 0.00 0.00 61.79 60.98 1cfp h SER 41 Cb 0.73 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.63 1cfp h SER 41 CO 0.71 0.01 0.63 0.45 -0.53 0.00 0.00 176.83 178.11 1cfp h HIS 42 N 0.11 0.49 0.00 2.24 3.86 -1.90 1.34 115.15 121.29 1cfp h HIS 42 Ca 0.59 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.82 1cfp h HIS 42 Cb 2.09 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 30.41 1cfp h HIS 42 CO -0.00 0.10 0.00 0.74 0.86 0.00 0.00 177.93 179.63 1cfp h PHE 43 N 0.34 0.00 -1.43 2.45 0.04 0.20 -3.04 116.94 115.51 1cfp h PHE 43 Ca 0.50 0.00 0.41 0.00 2.80 0.00 0.00 57.97 61.68 1cfp h PHE 43 Cb 1.35 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.44 1cfp h PHE 43 CO -0.00 0.00 1.06 1.25 -0.60 0.00 0.00 178.31 180.02 1cfp h LEU 44 N 0.00 0.00 0.04 1.54 5.85 0.18 1.69 115.31 124.61 1cfp h LEU 44 Ca 0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 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 0.00 -1.82 -0.62 -0.34 0.00 0.00 178.44 175.66 1cfp n GLU 45 N -4.02 0.67 0.00 1.25 4.71 -1.15 -4.93 120.64 117.18 1cfp n GLU 45 Ca 0.31 0.28 0.00 0.00 -0.01 0.00 0.00 57.16 57.74 1cfp n GLU 45 Cb 1.51 -1.76 0.00 0.00 -1.01 0.00 0.00 31.44 30.18 1cfp n GLU 45 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1cfp n GLU 46 N -3.18 0.00 -0.62 3.49 2.13 0.58 -4.39 120.64 118.65 1cfp n GLU 46 Ca -0.22 0.00 0.47 0.00 0.66 0.00 0.00 57.16 58.07 1cfp n GLU 46 Cb 1.05 0.00 0.73 0.00 0.27 0.00 0.00 31.44 33.50 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 0.00 -0.03 -0.33 6.31 0.00 -1.26 0.11 119.36 124.16 1cfp n ILE 47 Ca 0.00 1.40 0.34 0.00 0.00 0.00 0.00 62.75 64.49 1cfp n ILE 47 Cb 0.00 -2.33 0.53 0.00 0.00 0.00 0.00 39.64 37.84 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 -1.73 9.51 1.79 -1.86 -3.11 116.57 121.17 1cfp h LYS 48 Ca 0.85 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 59.06 1cfp h LYS 48 Cb 3.34 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 33.71 1cfp h LYS 48 CO -0.07 0.00 -0.60 -1.83 -1.08 0.00 0.00 179.45 175.87 1cfp s GLU 49 N -4.54 0.58 0.18 3.15 1.03 0.30 -5.02 118.70 114.38 1cfp s GLU 49 Ca -0.03 -0.42 -0.14 0.00 0.03 0.00 0.00 54.97 54.42 1cfp s GLU 49 Cb 0.17 -0.46 0.14 0.00 -0.80 0.00 0.00 34.13 33.19 1cfp s GLU 49 CO 0.57 -1.14 1.75 1.96 -1.33 0.00 0.00 175.26 177.07 1cfp h GLN 50 N 7.46 0.33 -0.81 -4.83 1.08 -1.72 0.57 115.11 117.18 1cfp h GLN 50 Ca -0.00 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1cfp h GLN 50 Cb 1.10 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.40 1cfp h GLN 50 CO 0.21 0.22 0.53 1.49 -0.95 0.00 0.00 178.83 180.33 1cfp h GLU 51 N 0.34 0.90 0.03 1.46 4.81 -1.94 -1.79 114.58 118.39 1cfp h GLU 51 Ca 0.22 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 59.15 1cfp h GLU 51 Cb 0.22 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 29.42 1cfp h GLU 51 CO -0.22 0.60 -0.97 0.28 -0.73 0.00 0.00 179.01 177.96 1cfp h VAL 52 N 0.93 1.32 -1.15 0.32 2.07 -1.58 -2.46 116.25 115.71 1cfp h VAL 52 Ca 0.34 -2.25 0.32 0.00 0.82 0.00 0.00 66.70 65.93 1cfp h VAL 52 Cb 0.16 2.52 -0.07 0.00 -1.52 0.00 0.00 31.29 32.38 1cfp h VAL 52 CO -0.11 0.68 0.79 0.58 0.02 0.00 0.00 177.57 179.53 1cfp h VAL 53 N 0.23 0.43 -0.11 2.57 2.07 0.88 1.96 116.25 124.27 1cfp h VAL 53 Ca -0.13 -0.06 -0.17 0.00 0.82 0.00 0.00 66.70 67.17 1cfp h VAL 53 Cb 1.65 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1cfp h VAL 53 CO 0.19 0.03 -0.60 -0.78 0.02 0.00 0.00 177.57 176.43 1cfp h ASP 54 N 0.16 0.71 0.13 0.57 3.58 -1.11 -2.64 116.42 117.83 1cfp h ASP 54 Ca 0.60 -0.65 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1cfp h ASP 54 Cb 2.01 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.85 1cfp h ASP 54 CO -0.15 1.25 -0.06 0.11 -2.88 0.00 0.00 179.24 177.50 1cfp h LYS 55 N 0.23 -0.17 -0.97 0.28 6.56 0.28 0.19 116.57 122.97 1cfp h LYS 55 Ca -0.04 0.01 0.18 0.00 -1.06 0.00 0.00 60.65 59.74 1cfp h LYS 55 Cb 1.24 0.04 -0.18 0.00 -0.57 0.00 0.00 32.23 32.76 1cfp h LYS 55 CO 0.12 -0.12 -0.29 0.28 -2.06 0.00 0.00 179.45 177.39 1cfp h VAL 56 N -0.67 0.02 -0.12 0.50 2.07 0.21 0.98 116.25 119.24 1cfp h VAL 56 Ca -0.02 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.36 1cfp h VAL 56 Cb 0.14 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1cfp h VAL 56 CO 0.03 0.00 -0.54 0.24 0.02 0.00 0.00 177.57 177.32 1cfp h MET 57 N -0.01 0.35 -0.06 1.57 2.86 -1.58 -1.23 114.93 116.82 1cfp h MET 57 Ca 0.43 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 1cfp h MET 57 Cb 0.67 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.31 1cfp h MET 57 CO -0.99 0.80 -0.21 1.49 1.06 0.00 0.00 176.91 179.06 1cfp h GLU 58 N 0.27 -0.29 0.01 1.72 4.57 0.31 -2.31 114.58 118.85 1cfp h GLU 58 Ca 0.01 0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 58.01 1cfp h GLU 58 Cb 1.04 0.07 0.02 0.00 -0.16 0.00 0.00 28.75 29.71 1cfp h GLU 58 CO 0.09 -0.20 -0.76 1.15 -1.18 0.00 0.00 179.01 178.11 1cfp h THR 59 N -0.30 1.38 -1.44 0.32 2.02 -1.23 -2.73 112.91 110.92 1cfp h THR 59 Ca 0.08 -2.16 0.42 0.00 0.77 0.00 0.00 66.41 65.52 1cfp h THR 59 Cb 0.42 2.55 -0.07 0.00 -1.74 0.00 0.00 68.15 69.32 1cfp h THR 59 CO -0.24 0.64 1.03 0.25 0.37 0.00 0.00 175.52 177.57 1cfp h LEU 60 N 0.05 0.05 0.00 2.58 5.85 -1.04 2.56 115.31 125.35 1cfp h LEU 60 Ca -0.10 0.02 -0.27 0.00 0.84 0.00 0.00 57.88 58.37 1cfp h LEU 60 Cb 1.46 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 1cfp h LEU 60 CO 0.15 -0.01 -1.67 0.47 -0.34 0.00 0.00 178.44 177.04 1cfp n ASP 61 N -4.17 0.83 0.00 1.25 8.00 -0.88 -4.30 116.55 117.28 1cfp n ASP 61 Ca 0.33 0.39 -0.18 0.00 0.71 0.00 0.00 54.79 56.03 1cfp n ASP 61 Cb 1.49 0.03 -0.14 0.00 -0.02 0.00 0.00 41.12 42.48 1cfp n ASP 61 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1cfp h SER 62 N 0.00 0.32 0.00 -2.24 4.64 0.10 -3.34 113.55 113.03 1cfp h SER 62 Ca -0.27 -0.71 -0.39 0.00 -0.47 0.00 0.00 61.79 59.95 1cfp h SER 62 Cb 1.92 -0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 63.82 1cfp h SER 62 CO 0.07 1.64 1.66 -0.67 -0.87 0.00 0.00 176.83 178.66 1cfp n ASP 63 N -3.38 -0.44 -2.95 4.97 2.03 0.79 0.11 116.55 117.68 1cfp n ASP 63 Ca -0.28 -0.13 -0.12 0.00 0.52 0.00 0.00 54.79 54.79 1cfp n ASP 63 Cb 1.05 -0.66 -0.02 0.00 -0.72 0.00 0.00 41.12 40.78 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 5.34 -0.48 0.07 0.27 0.00 -1.26 -4.26 105.19 104.87 1cfp n GLY 64 Ca 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.79 0.01 0.00 1.61 2.03 0.30 0.22 116.55 118.93 1cfp n ASP 65 Ca 0.00 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1cfp n ASP 65 Cb 0.51 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 0.05 2.46 2.83 0.27 0.00 -1.26 -4.86 105.19 104.68 1cfp n GLY 66 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.36 -0.76 1.61 2.12 0.59 -4.89 118.70 117.73 1cfp s GLU 67 Ca 0.00 -0.01 -0.20 0.00 0.36 0.00 0.00 54.97 55.12 1cfp s GLU 67 Cb 0.00 -0.49 0.11 0.00 0.26 0.00 0.00 34.13 34.01 1cfp s GLU 67 CO 0.00 -1.03 0.95 0.00 -0.54 0.00 0.00 175.26 174.64 1cfp s ASP 69 N 3.54 3.92 0.00 0.00 1.11 -1.26 0.18 116.67 124.16 1cfp s ASP 69 Ca 0.23 -0.33 0.00 0.00 0.18 0.00 0.00 52.55 52.63 1cfp s ASP 69 Cb -0.14 0.11 0.00 0.00 1.07 0.00 0.00 42.92 43.97 1cfp s ASP 69 CO 0.00 -2.16 0.02 0.49 1.18 0.00 0.00 175.17 174.70 1cfp n PHE 70 N -3.09 0.00 0.24 4.23 3.01 -1.26 0.28 117.46 120.87 1cfp n PHE 70 Ca 0.16 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.71 1cfp n PHE 70 Cb 0.60 0.00 0.43 0.00 -0.01 0.00 0.00 39.48 40.51 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 -0.43 0.12 0.10 -1.08 10.64 -1.26 -1.98 117.38 123.49 1cfp n GLN 71 Ca 0.00 0.52 -0.23 0.00 -1.83 0.00 0.00 57.00 55.45 1cfp n GLN 71 Cb 0.00 -1.81 -0.15 0.00 -0.86 0.00 0.00 30.24 27.42 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 0.44 -0.30 2.61 5.08 0.39 0.19 114.58 123.00 1cfp h GLU 72 Ca 0.00 -0.76 -0.06 0.00 -1.00 0.00 0.00 59.36 57.54 1cfp h GLU 72 Cb 0.13 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1cfp h GLU 72 CO 0.00 1.36 -0.08 0.35 -1.00 0.00 0.00 179.01 179.64 1cfp h PHE 73 N -0.01 0.51 0.00 4.33 3.04 0.59 -1.76 116.94 123.64 1cfp h PHE 73 Ca -0.25 -0.07 -0.09 0.00 3.98 0.00 0.00 57.97 61.54 1cfp h PHE 73 Cb 2.02 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 40.37 1cfp h PHE 73 CO 0.14 0.56 -0.79 0.52 -2.02 0.00 0.00 178.31 176.72 1cfp h MET 74 N 0.45 0.00 0.43 1.11 2.86 -1.52 -2.58 114.93 115.69 1cfp h MET 74 Ca 0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1cfp h MET 74 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1cfp h MET 74 CO 0.02 0.28 -0.21 0.00 1.06 0.00 0.00 176.91 178.07 1cfp h ALA 75 N 1.63 -0.58 -0.01 6.32 0.00 0.24 -1.13 119.26 125.73 1cfp h ALA 75 Ca -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1cfp h ALA 75 Cb 1.33 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1cfp h ALA 75 CO 0.04 -0.76 -0.09 0.35 0.00 0.00 0.00 179.25 178.79 1cfp h PHE 76 N -0.72 0.10 -1.16 0.00 3.57 -1.54 -0.88 116.94 116.31 1cfp h PHE 76 Ca -0.06 -0.05 0.34 0.00 3.53 0.00 0.00 57.97 61.73 1cfp h PHE 76 Cb 0.51 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 1cfp h PHE 76 CO -0.02 0.79 0.83 -0.24 -2.23 0.00 0.00 178.31 177.45 1cfp h VAL 77 N -0.62 0.42 0.16 1.41 3.04 -1.52 1.10 116.25 120.24 1cfp h VAL 77 Ca -0.01 -0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.42 1cfp h VAL 77 Cb 0.81 0.41 0.03 0.00 -2.01 0.00 0.00 31.29 30.52 1cfp h VAL 77 CO 0.02 0.00 -1.12 0.00 -1.01 0.00 0.00 177.57 175.46 1cfp h ALA 78 N 1.42 -0.08 -0.82 3.17 0.00 -1.02 0.08 119.26 122.01 1cfp h ALA 78 Ca 0.56 -0.75 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1cfp h ALA 78 Cb 2.20 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 20.06 1cfp h ALA 78 CO -0.02 0.55 0.54 1.98 0.00 0.00 0.00 179.25 182.30 1cfp h MET 79 N -0.00 0.82 0.27 0.00 -1.53 0.25 0.28 114.93 115.03 1cfp h MET 79 Ca -0.18 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.01 1cfp h MET 79 Cb 1.85 -0.19 0.00 0.00 -0.55 0.00 0.00 31.60 32.71 1cfp h MET 79 CO 0.21 0.54 -0.13 0.82 0.14 0.00 0.00 176.91 178.50 1cfp h ILE 80 N 0.85 0.16 -1.69 1.77 2.04 -0.55 -2.17 117.51 117.92 1cfp h ILE 80 Ca 0.37 -0.80 0.50 0.00 1.00 0.00 0.00 64.86 65.93 1cfp h ILE 80 Cb 0.32 0.28 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 1cfp h ILE 80 CO -0.14 0.04 1.19 0.74 0.00 0.00 0.00 178.15 179.99 1cfp h THR 81 N -1.07 0.11 0.09 -0.27 2.02 -0.52 2.35 112.91 115.62 1cfp h THR 81 Ca -0.04 -0.01 -0.26 0.00 0.77 0.00 0.00 66.41 66.87 1cfp h THR 81 Cb 0.35 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1cfp h THR 81 CO 0.06 0.00 -1.25 0.71 0.37 0.00 0.00 175.52 175.41 1cfp h THR 82 N 0.02 1.47 -0.38 3.16 1.35 -0.38 -3.18 112.91 114.97 1cfp h THR 82 Ca 0.84 -3.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 1cfp h THR 82 Cb 3.23 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 72.52 1cfp h THR 82 CO -0.09 0.88 0.00 0.00 -0.25 0.00 0.00 175.52 176.06 1cfp n ALA 83 N -2.51 2.45 -1.21 6.62 0.00 0.74 -3.86 120.51 122.73 1cfp n ALA 83 Ca -0.08 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1cfp n ALA 83 Cb 1.01 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -3.59 0.00 -0.00 -1.26 -5.00 115.22 105.37 1cfp n HIS 85 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1cfp n HIS 85 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 0.00 0.00 -0.18 1.57 1.02 -1.26 -3.07 120.64 118.72 1cfp n GLU 86 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1cfp n GLU 86 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1cfp n GLU 86 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1cfp h PHE 87 N 0.00 -1.46 0.00 -0.32 3.57 -1.98 -3.38 116.94 113.37 1cfp h PHE 87 Ca 0.00 0.08 -0.68 0.00 3.53 0.00 0.00 57.97 60.90 1cfp h PHE 87 Cb 0.00 0.70 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 1cfp h PHE 87 CO 0.00 -0.38 1.34 1.19 -2.23 0.00 0.00 178.31 178.24 1cfp n PHE 88 N -4.89 0.99 -1.34 0.41 3.72 -1.17 -4.78 117.46 110.39 1cfp n PHE 88 Ca -0.02 0.66 0.00 0.00 -0.05 0.00 0.00 57.45 58.04 1cfp n PHE 88 Cb 0.26 -2.20 0.00 0.00 -0.94 0.00 0.00 39.48 36.60 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 7.34 0.00 -3.77 -1.08 2.13 -1.25 -4.16 120.64 119.84 1cfp n GLU 89 Ca 0.55 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 58.01 1cfp n GLU 89 Cb -0.02 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.57 1cfp n GLU 89 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1cfp s HIS 90 N -0.43 3.53 0.00 4.31 3.76 -1.26 -4.98 115.29 120.21 1cfp s HIS 90 Ca 0.00 -2.56 0.00 0.00 -0.15 0.00 0.00 55.06 52.35 1cfp s HIS 90 Cb 0.00 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.50 1cfp s HIS 90 CO 0.00 -0.92 0.00 -1.91 -0.85 0.00 0.00 174.74 171.06