#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 -0.29 -0.95 6.12 0.02 -2.04 -3.00 113.55 113.41 1cfp h SER 1 Ca 0.00 -0.20 0.29 0.00 -0.84 0.00 0.00 61.79 61.04 1cfp h SER 1 Cb 0.00 0.07 -0.17 0.00 0.14 0.00 0.00 62.40 62.45 1cfp h SER 1 CO 0.00 0.06 0.22 -0.33 -1.14 0.00 0.00 176.83 175.64 1cfp h GLU 2 N -0.67 0.09 0.00 3.45 5.08 -2.04 0.45 114.58 120.94 1cfp h GLU 2 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1cfp h GLU 2 Cb 0.47 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1cfp h GLU 2 CO 0.06 0.06 0.00 -0.11 -1.00 0.00 0.00 179.01 178.02 1cfp n LEU 3 N -5.33 0.00 -0.24 1.33 0.00 -1.14 0.69 117.00 112.30 1cfp n LEU 3 Ca 0.26 0.49 -0.01 0.00 0.00 0.00 0.00 56.01 56.75 1cfp n LEU 3 Cb 0.84 0.00 0.06 0.00 0.00 0.00 0.00 43.42 44.32 1cfp n LEU 3 CO 0.00 0.00 0.69 -0.33 0.00 0.00 0.00 177.39 177.75 1cfp h GLU 4 N 0.00 -0.04 -0.95 1.96 3.07 -1.41 1.22 114.58 118.42 1cfp h GLU 4 Ca 0.00 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.06 1cfp h GLU 4 Cb 0.00 0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 27.81 1cfp h GLU 4 CO 0.00 -0.03 0.54 0.87 -1.40 0.00 0.00 179.01 178.99 1cfp h LYS 5 N -0.04 0.63 -0.23 2.33 1.79 -0.13 2.20 116.57 123.12 1cfp h LYS 5 Ca 0.32 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.72 1cfp h LYS 5 Cb 0.54 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1cfp h LYS 5 CO -0.74 0.42 0.02 0.00 -1.08 0.00 0.00 179.45 178.07 1cfp h ALA 6 N 1.65 1.60 -0.04 3.86 0.00 0.73 -1.03 119.26 126.03 1cfp h ALA 6 Ca 0.56 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1cfp h ALA 6 Cb 0.92 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1cfp h ALA 6 CO -0.41 0.30 0.01 -0.24 0.00 0.00 0.00 179.25 178.91 1cfp h VAL 7 N 0.33 1.18 0.00 0.00 3.04 0.57 0.71 116.25 122.09 1cfp h VAL 7 Ca 0.08 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1cfp h VAL 7 Cb 0.20 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1cfp h VAL 7 CO 0.00 0.15 0.12 0.58 -1.01 0.00 0.00 177.57 177.42 1cfp h VAL 8 N -0.16 0.00 0.03 1.51 2.07 0.31 0.69 116.25 120.70 1cfp h VAL 8 Ca 0.01 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.29 1cfp h VAL 8 Cb 0.23 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1cfp h VAL 8 CO 0.00 0.00 -1.25 0.00 0.02 0.00 0.00 177.57 176.34 1cfp h ALA 9 N 1.75 0.42 -0.13 1.67 0.00 0.21 -3.31 119.26 119.86 1cfp h ALA 9 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 54.91 53.84 1cfp h ALA 9 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1cfp h ALA 9 CO 0.00 1.29 0.06 -0.07 0.00 0.00 0.00 179.25 180.53 1cfp h LEU 10 N 0.01 0.17 -1.88 0.00 3.38 0.25 -0.43 115.31 116.82 1cfp h LEU 10 Ca -0.11 -0.13 0.38 0.00 0.09 0.00 0.00 57.88 58.11 1cfp h LEU 10 Cb 1.87 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.52 1cfp h LEU 10 CO 0.13 0.26 1.03 0.16 0.09 0.00 0.00 178.44 180.11 1cfp h ILE 11 N 0.08 0.24 0.02 1.22 -0.00 -1.53 0.72 117.51 118.26 1cfp h ILE 11 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.90 1cfp h ILE 11 Cb 0.13 0.26 0.00 0.00 -0.00 0.00 0.00 36.82 37.22 1cfp h ILE 11 CO -0.01 0.00 -0.01 -0.78 -0.00 0.00 0.00 178.15 177.36 1cfp h ASP 12 N 0.00 -0.02 -0.44 2.16 1.82 -1.26 -2.85 116.42 115.82 1cfp h ASP 12 Ca 0.63 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 57.36 1cfp h ASP 12 Cb 2.68 0.01 -0.10 0.00 0.68 0.00 0.00 39.33 42.60 1cfp h ASP 12 CO -0.01 0.38 -0.32 0.58 -1.61 0.00 0.00 179.24 178.27 1cfp h VAL 13 N -0.82 0.23 -0.57 2.25 2.07 0.46 0.13 116.25 119.99 1cfp h VAL 13 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1cfp h VAL 13 Cb 0.02 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 29.91 1cfp h VAL 13 CO 0.00 0.00 -0.30 0.15 0.02 0.00 0.00 177.57 177.45 1cfp h PHE 14 N -0.22 -0.80 -1.13 1.57 3.04 0.19 0.86 116.94 120.45 1cfp h PHE 14 Ca 0.19 0.07 0.40 0.00 3.98 0.00 0.00 57.97 62.61 1cfp h PHE 14 Cb 0.53 0.44 -0.13 0.00 2.56 0.00 0.00 35.95 39.35 1cfp h PHE 14 CO -0.55 -0.36 0.70 1.58 -2.02 0.00 0.00 178.31 177.66 1cfp n HIS 15 N -5.43 0.69 -0.00 0.41 -0.00 0.42 0.57 115.22 111.88 1cfp n HIS 15 Ca 0.04 0.70 -0.00 0.00 0.46 0.00 0.00 57.72 58.92 1cfp n HIS 15 Cb 0.35 -1.12 -0.00 0.00 -0.12 0.00 0.00 29.99 29.10 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 -0.65 1.57 4.20 0.88 -2.24 115.11 118.87 1cfp h GLN 16 Ca 0.76 0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.53 1cfp h GLN 16 Cb 2.35 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 30.04 1cfp h GLN 16 CO -0.46 -0.00 -0.54 1.88 -0.67 0.00 0.00 178.83 179.04 1cfp h TYR 17 N -0.07 -1.68 -0.10 2.96 -1.99 0.31 2.34 116.97 118.75 1cfp h TYR 17 Ca -0.00 0.10 -0.03 0.00 2.00 0.00 0.00 58.73 60.80 1cfp h TYR 17 Cb 0.00 0.82 -0.01 0.00 2.00 0.00 0.00 36.73 39.55 1cfp h TYR 17 CO 0.01 -0.40 -0.07 0.66 -0.00 0.00 0.00 178.16 178.35 1cfp h SER 18 N -0.19 0.13 -2.09 3.88 4.64 -0.01 -3.28 113.55 116.63 1cfp h SER 18 Ca 0.11 -0.02 -0.52 0.00 -0.47 0.00 0.00 61.79 60.90 1cfp h SER 18 Cb 0.47 -0.03 -0.41 0.00 -0.31 0.00 0.00 62.40 62.12 1cfp h SER 18 CO -0.71 0.23 -1.03 0.61 -0.87 0.00 0.00 176.83 175.05 1cfp n GLY 19 N -1.14 4.19 2.23 -0.77 0.00 0.77 -2.29 105.19 108.19 1cfp n GLY 19 Ca -0.01 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 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 0.16 3.16 -0.03 1.61 1.85 0.76 -4.52 116.66 119.65 1cfp n ARG 20 Ca 0.27 -3.78 0.00 0.00 -1.00 0.00 0.00 57.85 53.34 1cfp n ARG 20 Cb 0.58 -2.28 0.00 0.00 -1.05 0.00 0.00 32.46 29.70 1cfp n ARG 20 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1cfp n GLU 21 N -0.77 -0.07 0.00 2.89 0.28 -1.26 -4.85 120.64 116.85 1cfp n GLU 21 Ca 0.52 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.58 1cfp n GLU 21 Cb 0.78 -0.06 0.00 0.00 1.43 0.00 0.00 31.44 33.59 1cfp n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1cfp n GLY 22 N -0.73 3.14 0.00 -1.84 0.00 -1.26 -4.97 105.19 99.53 1cfp n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.13 0.38 0.04 1.61 8.00 -1.26 -5.12 116.55 120.33 1cfp n ASP 23 Ca 0.00 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1cfp n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1cfp n ASP 23 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1cfp n LYS 24 N 0.00 0.00 -2.97 -1.24 3.00 -0.99 -4.75 118.16 111.20 1cfp n LYS 24 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1cfp n LYS 24 Cb 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 35.03 35.02 1cfp n LYS 24 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1cfp n HIS 25 N -2.83 -0.50 -3.77 5.64 -0.00 -0.97 -3.16 115.22 109.63 1cfp n HIS 25 Ca 0.00 -3.15 -0.10 0.00 -0.00 0.00 0.00 57.72 54.47 1cfp n HIS 25 Cb 0.00 0.17 -0.04 0.00 -0.00 0.00 0.00 29.99 30.12 1cfp n HIS 25 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1cfp s LYS 26 N -1.78 1.32 -0.22 1.57 3.01 -1.23 -4.61 119.74 117.80 1cfp s LYS 26 Ca 0.33 -0.91 -0.01 0.00 -1.01 0.00 0.00 55.97 54.37 1cfp s LYS 26 Cb 0.36 0.49 0.02 0.00 -1.01 0.00 0.00 37.83 37.69 1cfp s LYS 26 CO -0.05 -0.55 -0.10 -0.51 0.51 0.00 0.00 175.35 174.65 1cfp s LEU 27 N -2.88 2.79 0.38 3.17 2.01 0.18 -3.99 118.68 120.33 1cfp s LEU 27 Ca 0.10 -0.70 -0.06 0.00 0.01 0.00 0.00 54.13 53.47 1cfp s LEU 27 Cb -0.00 -1.62 -0.05 0.00 0.01 0.00 0.00 46.19 44.53 1cfp s LEU 27 CO -0.03 -0.06 0.68 -0.75 1.01 0.00 0.00 176.35 177.20 1cfp s LYS 28 N 1.34 3.65 0.59 1.70 2.20 -1.26 -0.33 119.74 127.64 1cfp s LYS 28 Ca 0.03 0.18 0.32 0.00 -0.36 0.00 0.00 55.97 56.14 1cfp s LYS 28 Cb -0.15 -2.50 1.25 0.00 -1.51 0.00 0.00 37.83 34.93 1cfp s LYS 28 CO -0.07 0.03 1.54 0.87 -0.36 0.00 0.00 175.35 177.36 1cfp h LYS 29 N 1.13 0.00 0.01 4.03 1.57 -1.90 0.62 116.57 122.03 1cfp h LYS 29 Ca -0.47 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1cfp h LYS 29 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1cfp h LYS 29 CO 0.64 0.00 -0.00 0.66 -0.57 0.00 0.00 179.45 180.18 1cfp h SER 30 N 0.00 -0.01 0.15 0.86 4.64 -1.96 -1.95 113.55 115.29 1cfp h SER 30 Ca 0.51 -0.80 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1cfp h SER 30 Cb 2.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.68 1cfp h SER 30 CO -0.01 0.81 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.38 1cfp h GLU 31 N -0.84 0.00 0.17 4.77 5.08 -0.23 -1.76 114.58 121.77 1cfp h GLU 31 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1cfp h GLU 31 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1cfp h GLU 31 CO 0.00 0.06 -0.08 1.25 -1.00 0.00 0.00 179.01 179.24 1cfp h LEU 32 N 0.00 -0.19 -0.62 1.33 5.85 -0.77 -1.94 115.31 118.97 1cfp h LEU 32 Ca -0.00 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1cfp h LEU 32 Cb 0.15 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.11 1cfp h LEU 32 CO 0.01 0.04 -0.29 0.50 -0.34 0.00 0.00 178.44 178.36 1cfp h LYS 33 N -0.58 -0.11 -0.18 1.25 3.11 -1.25 0.79 116.57 119.59 1cfp h LYS 33 Ca -0.02 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.87 1cfp h LYS 33 Cb 0.17 0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 31.36 1cfp h LYS 33 CO 0.04 -0.08 -0.43 1.49 -2.81 0.00 0.00 179.45 177.66 1cfp h GLU 34 N -0.12 -0.45 -1.66 1.90 4.81 -1.42 0.37 114.58 118.00 1cfp h GLU 34 Ca 0.26 0.03 0.48 0.00 -0.13 0.00 0.00 59.36 60.01 1cfp h GLU 34 Cb 0.54 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.95 1cfp h GLU 34 CO -0.69 -0.30 1.19 1.25 -0.73 0.00 0.00 179.01 179.73 1cfp h LEU 35 N -0.47 0.01 0.06 1.64 6.46 -0.03 1.51 115.31 124.50 1cfp h LEU 35 Ca 0.08 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.57 1cfp h LEU 35 Cb 0.62 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 1cfp h LEU 35 CO -0.43 -0.01 -1.51 0.40 -0.62 0.00 0.00 178.44 176.27 1cfp h ILE 36 N 0.00 0.85 0.00 4.05 1.08 0.20 -3.36 117.51 120.33 1cfp h ILE 36 Ca 0.80 -2.27 0.00 0.00 -0.39 0.00 0.00 64.86 62.99 1cfp h ILE 36 Cb 3.17 2.42 0.00 0.00 -3.07 0.00 0.00 36.82 39.34 1cfp h ILE 36 CO -0.02 0.58 0.00 -0.55 -0.69 0.00 0.00 178.15 177.47 1cfp h ASN 37 N -0.53 0.00 -0.39 1.72 -1.07 0.18 0.36 115.58 115.85 1cfp h ASN 37 Ca -0.36 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 55.95 1cfp h ASN 37 Cb 1.62 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.85 1cfp h ASN 37 CO -0.06 0.00 0.03 -1.13 0.07 0.00 0.00 177.43 176.34 1cfp h ASN 38 N 0.00 0.72 0.00 6.14 -0.73 0.18 -3.27 115.58 118.62 1cfp h ASN 38 Ca 0.00 -0.16 -0.11 0.00 1.87 0.00 0.00 56.30 57.90 1cfp h ASN 38 Cb 0.63 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 1cfp h ASN 38 CO 0.00 0.77 -1.39 1.21 -0.37 0.00 0.00 177.43 177.65 1cfp n GLU 39 N -4.24 0.16 -2.02 6.67 4.07 -1.19 -4.75 120.64 119.34 1cfp n GLU 39 Ca 0.03 0.05 -0.40 0.00 -0.06 0.00 0.00 57.16 56.78 1cfp n GLU 39 Cb 0.27 -0.93 -0.00 0.00 -0.06 0.00 0.00 31.44 30.72 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 -3.03 7.87 -0.47 4.31 4.77 0.13 -4.76 117.00 125.83 1cfp n LEU 40 Ca -0.13 -4.84 0.40 0.00 -0.03 0.00 0.00 56.01 51.41 1cfp n LEU 40 Cb 0.61 -1.38 0.62 0.00 -2.33 0.00 0.00 43.42 40.94 1cfp n LEU 40 CO 0.04 1.96 1.34 -1.20 -1.33 0.00 0.00 177.39 178.20 1cfp n SER 41 N 2.08 0.00 -0.36 -1.43 7.64 -1.23 0.18 113.62 120.50 1cfp n SER 41 Ca 0.60 0.86 0.27 0.00 1.01 0.00 0.00 58.87 61.60 1cfp n SER 41 Cb 0.26 -0.37 0.52 0.00 -1.01 0.00 0.00 64.21 63.61 1cfp n SER 41 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1cfp h HIS 42 N 0.00 0.78 0.00 1.43 3.86 -1.89 2.27 115.15 121.60 1cfp h HIS 42 Ca 0.71 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.94 1cfp h HIS 42 Cb 3.29 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 31.55 1cfp h HIS 42 CO 0.00 -0.14 -0.03 0.74 0.86 0.00 0.00 177.93 179.36 1cfp h PHE 43 N 0.28 0.00 -0.90 2.45 0.04 -0.57 -1.07 116.94 117.17 1cfp h PHE 43 Ca 0.73 0.00 0.17 0.00 2.80 0.00 0.00 57.97 61.67 1cfp h PHE 43 Cb 1.86 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.91 1cfp h PHE 43 CO -0.01 0.03 0.47 1.25 -0.60 0.00 0.00 178.31 179.45 1cfp h LEU 44 N 0.00 0.54 0.00 1.54 5.85 0.37 0.37 115.31 123.98 1cfp h LEU 44 Ca -0.00 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1cfp h LEU 44 Cb 0.78 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1cfp h LEU 44 CO 0.00 0.18 -1.22 1.21 -0.34 0.00 0.00 178.44 178.28 1cfp n GLU 45 N -4.89 0.61 -2.05 1.25 4.07 -1.12 -4.92 120.64 113.60 1cfp n GLU 45 Ca 0.20 0.13 -0.05 0.00 -0.06 0.00 0.00 57.16 57.37 1cfp n GLU 45 Cb 0.52 -1.80 -0.01 0.00 -0.06 0.00 0.00 31.44 30.10 1cfp n GLU 45 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1cfp n GLU 46 N -2.71 -2.19 -0.04 5.31 0.28 0.13 -4.66 120.64 116.77 1cfp n GLU 46 Ca -0.04 0.26 -0.05 0.00 -0.16 0.00 0.00 57.16 57.17 1cfp n GLU 46 Cb 0.64 -4.66 -0.06 0.00 1.43 0.00 0.00 31.44 28.80 1cfp n GLU 46 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1cfp n ILE 47 N -2.37 0.55 0.31 3.84 0.00 -1.26 -4.49 119.36 115.94 1cfp n ILE 47 Ca -0.06 -0.30 0.13 0.00 0.00 0.00 0.00 62.75 62.52 1cfp n ILE 47 Cb 0.42 -0.81 0.67 0.00 0.00 0.00 0.00 39.64 39.92 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 -2.25 9.51 1.79 -1.83 -3.25 116.57 120.55 1cfp h LYS 48 Ca -0.22 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.79 1cfp h LYS 48 Cb 1.44 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.74 1cfp h LYS 48 CO -0.00 0.00 -0.75 -1.83 -1.08 0.00 0.00 179.45 175.78 1cfp s GLU 49 N -3.98 0.57 0.01 3.15 -1.05 -1.26 -5.03 118.70 111.12 1cfp s GLU 49 Ca -0.03 -1.00 -0.26 0.00 -0.15 0.00 0.00 54.97 53.53 1cfp s GLU 49 Cb 0.07 -0.97 -0.15 0.00 -0.44 0.00 0.00 34.13 32.65 1cfp s GLU 49 CO 0.22 -1.19 1.11 1.96 0.95 0.00 0.00 175.26 178.32 1cfp h GLN 50 N 7.15 -0.87 -0.88 -4.83 4.20 -1.81 0.21 115.11 118.29 1cfp h GLN 50 Ca 0.04 0.06 0.21 0.00 0.06 0.00 0.00 58.65 59.01 1cfp h GLN 50 Cb 1.02 0.20 -0.12 0.00 0.30 0.00 0.00 27.48 28.88 1cfp h GLN 50 CO 0.24 -0.56 0.37 1.49 -0.67 0.00 0.00 178.83 179.70 1cfp h GLU 51 N -1.20 0.39 0.00 1.46 4.81 -1.95 0.65 114.58 118.74 1cfp h GLU 51 Ca -0.09 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.99 1cfp h GLU 51 Cb 0.71 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1cfp h GLU 51 CO 0.15 0.26 -0.62 0.28 -0.73 0.00 0.00 179.01 178.35 1cfp h VAL 52 N 0.40 1.24 0.00 0.32 2.07 -1.87 -2.23 116.25 116.18 1cfp h VAL 52 Ca 0.54 -2.26 -0.05 0.00 0.82 0.00 0.00 66.70 65.74 1cfp h VAL 52 Cb 1.00 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1cfp h VAL 52 CO -0.52 0.60 -0.25 0.58 0.02 0.00 0.00 177.57 178.01 1cfp h VAL 53 N 0.00 0.61 -0.10 2.57 2.07 0.34 1.21 116.25 122.95 1cfp h VAL 53 Ca -0.01 -1.17 -0.13 0.00 0.82 0.00 0.00 66.70 66.22 1cfp h VAL 53 Cb 1.24 1.78 0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1cfp h VAL 53 CO 0.08 0.24 -0.44 -0.78 0.02 0.00 0.00 177.57 176.69 1cfp h ASP 54 N 0.00 0.57 0.17 0.57 3.58 0.32 -2.32 116.42 119.30 1cfp h ASP 54 Ca -0.00 -0.63 -0.01 0.00 0.42 0.00 0.00 57.03 56.81 1cfp h ASP 54 Cb 0.76 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1cfp h ASP 54 CO 0.03 1.10 -0.08 0.11 -2.88 0.00 0.00 179.24 177.52 1cfp h LYS 55 N 0.06 -0.22 -0.93 0.28 6.56 -0.99 -1.37 116.57 119.96 1cfp h LYS 55 Ca -0.03 0.02 0.20 0.00 -1.06 0.00 0.00 60.65 59.78 1cfp h LYS 55 Cb 1.08 0.05 -0.18 0.00 -0.57 0.00 0.00 32.23 32.61 1cfp h LYS 55 CO 0.09 -0.15 -0.20 0.28 -2.06 0.00 0.00 179.45 177.42 1cfp n VAL 56 N -4.89 -0.39 0.10 0.50 0.31 0.41 0.20 118.33 114.57 1cfp n VAL 56 Ca -0.03 2.12 -0.05 0.00 -0.01 0.00 0.00 64.34 66.37 1cfp n VAL 56 Cb 0.09 -2.95 0.09 0.00 -0.91 0.00 0.00 33.84 30.16 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 0.15 -1.01 5.55 2.86 -1.51 -1.81 114.93 119.16 1cfp h MET 57 Ca 0.46 -0.12 0.22 0.00 -2.06 0.00 0.00 59.70 58.20 1cfp h MET 57 Cb 0.75 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.32 1cfp h MET 57 CO -0.95 0.78 0.61 1.05 1.06 0.00 0.00 176.91 179.46 1cfp h GLU 58 N 0.10 0.64 0.00 1.72 -0.00 0.34 0.15 114.58 117.53 1cfp h GLU 58 Ca -0.02 -0.04 -0.13 0.00 -0.00 0.00 0.00 59.36 59.17 1cfp h GLU 58 Cb 1.23 -0.14 -0.02 0.00 -0.00 0.00 0.00 28.75 29.81 1cfp h GLU 58 CO 0.10 0.42 -0.97 2.41 -0.00 0.00 0.00 179.01 180.97 1cfp n THR 59 N -4.81 1.48 -0.54 -1.06 -1.04 -0.96 -3.49 114.28 103.87 1cfp n THR 59 Ca 0.25 0.07 0.44 0.00 -2.04 0.00 0.00 64.05 62.77 1cfp n THR 59 Cb 0.67 -2.20 0.75 0.00 -1.82 0.00 0.00 70.33 67.74 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 -1.00 0.08 -0.09 -4.42 6.46 -1.11 2.55 115.31 117.78 1cfp h LEU 60 Ca -0.20 0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 57.51 1cfp h LEU 60 Cb 0.96 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 1cfp h LEU 60 CO -0.12 -0.05 -0.30 0.44 -0.62 0.00 0.00 178.44 177.78 1cfp h ASP 61 N 0.04 0.41 0.00 1.25 3.32 -0.84 -3.40 116.42 117.20 1cfp h ASP 61 Ca 0.82 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1cfp h ASP 61 Cb 3.05 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 42.47 1cfp h ASP 61 CO -0.14 0.96 0.00 -1.54 -1.72 0.00 0.00 179.24 176.80 1cfp n SER 62 N -4.43 0.00 -1.05 6.45 3.41 0.53 -4.91 113.62 113.62 1cfp n SER 62 Ca -0.08 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1cfp n SER 62 Cb 0.49 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.18 -0.39 0.00 4.04 2.03 0.73 -1.32 116.55 119.46 1cfp n ASP 63 Ca 0.00 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1cfp n ASP 63 Cb 0.00 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 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 1.75 0.00 0.94 0.27 0.00 -1.26 -4.51 105.19 102.38 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 -1.46 0.00 1.61 2.03 -0.44 -4.83 116.55 113.46 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 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 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 2.00 3.24 0.27 0.00 -1.26 -4.92 105.19 105.02 1cfp n GLY 66 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 0.37 0.56 1.61 2.56 -1.26 -4.81 118.70 117.72 1cfp s GLU 67 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 54.97 55.75 1cfp s GLU 67 Cb 0.00 -0.04 0.05 0.00 2.00 0.00 0.00 34.13 36.14 1cfp s GLU 67 CO 0.00 -0.16 0.78 0.00 -0.56 0.00 0.00 175.26 175.32 1cfp s ASP 69 N -4.48 -0.14 0.00 0.00 1.11 -1.26 0.50 116.67 112.40 1cfp s ASP 69 Ca 0.59 0.03 0.00 0.00 0.18 0.00 0.00 52.55 53.35 1cfp s ASP 69 Cb -0.09 0.29 0.00 0.00 1.07 0.00 0.00 42.92 44.19 1cfp s ASP 69 CO 0.38 -0.42 0.00 0.49 1.18 0.00 0.00 175.17 176.80 1cfp n PHE 70 N 1.35 0.00 -0.12 4.23 3.01 -1.26 0.11 117.46 124.78 1cfp n PHE 70 Ca -0.22 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.19 1cfp n PHE 70 Cb 0.56 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.06 1cfp n PHE 70 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1cfp h GLN 71 N 0.00 0.20 -0.60 -1.08 4.15 -2.00 -2.89 115.11 112.89 1cfp h GLN 71 Ca 0.00 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.53 1cfp h GLN 71 Cb 0.00 -0.05 -0.11 0.00 0.21 0.00 0.00 27.48 27.54 1cfp h GLN 71 CO 0.00 0.13 -0.05 0.93 -1.93 0.00 0.00 178.83 177.91 1cfp h GLU 72 N 0.21 0.07 0.00 1.69 5.08 0.40 0.51 114.58 122.54 1cfp h GLU 72 Ca 0.19 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1cfp h GLU 72 Cb 0.22 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1cfp h GLU 72 CO -0.25 0.05 -0.23 0.35 -1.00 0.00 0.00 179.01 177.93 1cfp h PHE 73 N 0.07 -0.69 -0.32 4.33 3.57 -1.65 0.39 116.94 122.64 1cfp h PHE 73 Ca 0.30 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.92 1cfp h PHE 73 Cb 0.48 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1cfp h PHE 73 CO -0.40 -0.25 0.23 0.52 -2.23 0.00 0.00 178.31 176.18 1cfp h MET 74 N -0.29 0.00 0.71 1.11 2.86 -1.53 0.37 114.93 118.16 1cfp h MET 74 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1cfp h MET 74 Cb 0.32 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.98 1cfp h MET 74 CO -0.16 0.00 -0.34 0.00 1.06 0.00 0.00 176.91 177.48 1cfp h ALA 75 N 1.83 -0.95 -0.05 6.32 0.00 0.24 -2.45 119.26 124.20 1cfp h ALA 75 Ca 0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1cfp h ALA 75 Cb 0.62 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1cfp h ALA 75 CO -0.00 -0.90 -0.19 0.35 0.00 0.00 0.00 179.25 178.51 1cfp h PHE 76 N -1.22 0.29 -1.00 0.00 3.57 -0.05 -2.26 116.94 116.26 1cfp h PHE 76 Ca -0.10 -0.12 0.31 0.00 3.53 0.00 0.00 57.97 61.59 1cfp h PHE 76 Cb 0.74 -0.05 -0.15 0.00 2.79 0.00 0.00 35.95 39.29 1cfp h PHE 76 CO 0.00 0.81 0.56 -0.24 -2.23 0.00 0.00 178.31 177.21 1cfp h VAL 77 N -0.31 0.33 -0.22 1.41 3.04 -0.38 1.48 116.25 121.59 1cfp h VAL 77 Ca -0.01 -0.12 -0.04 0.00 -1.01 0.00 0.00 66.70 65.52 1cfp h VAL 77 Cb 0.82 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.04 1cfp h VAL 77 CO 0.04 0.06 -0.00 0.00 -1.01 0.00 0.00 177.57 176.66 1cfp h ALA 78 N 1.83 0.30 -0.96 3.17 0.00 -1.30 1.36 119.26 123.67 1cfp h ALA 78 Ca 0.72 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.55 1cfp h ALA 78 Cb 1.59 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.22 1cfp h ALA 78 CO -0.59 0.03 0.61 0.52 0.00 0.00 0.00 179.25 179.81 1cfp h MET 79 N 0.16 0.80 0.00 0.00 2.07 0.24 -0.18 114.93 118.02 1cfp h MET 79 Ca 0.06 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1cfp h MET 79 Cb 0.41 -0.18 0.00 0.00 -1.87 0.00 0.00 31.60 29.96 1cfp h MET 79 CO 0.01 0.53 -0.06 0.82 1.07 0.00 0.00 176.91 179.28 1cfp h ILE 80 N 0.82 0.00 -0.86 -1.22 1.08 0.04 -2.94 117.51 114.43 1cfp h ILE 80 Ca 0.49 -0.25 0.34 0.00 -0.39 0.00 0.00 64.86 65.05 1cfp h ILE 80 Cb 0.66 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.25 1cfp h ILE 80 CO -0.25 0.00 0.39 0.41 -0.69 0.00 0.00 178.15 178.00 1cfp n THR 81 N -2.77 -0.36 0.08 -0.27 -1.04 0.46 0.28 114.28 110.66 1cfp n THR 81 Ca -0.01 1.77 -0.11 0.00 -2.04 0.00 0.00 64.05 63.66 1cfp n THR 81 Cb 0.03 -2.83 -0.03 0.00 -1.82 0.00 0.00 70.33 65.69 1cfp n THR 81 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1cfp h THR 82 N 0.00 1.45 0.00 12.58 2.02 -1.18 -2.98 112.91 124.81 1cfp h THR 82 Ca 0.70 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 65.32 1cfp h THR 82 Cb 1.79 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 70.66 1cfp h THR 82 CO -0.69 0.75 -0.04 0.00 0.37 0.00 0.00 175.52 175.91 1cfp h ALA 83 N 0.85 0.97 -3.00 6.16 0.00 0.42 -2.67 119.26 122.00 1cfp h ALA 83 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1cfp h ALA 83 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1cfp h ALA 83 CO 0.15 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1cfp n HIS 85 N -0.13 0.00 -4.30 0.00 -0.00 -1.25 -4.98 115.22 104.56 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 -0.22 1.57 4.71 -1.26 -3.14 120.64 122.30 1cfp n GLU 86 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.09 1cfp n GLU 86 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.42 1cfp n GLU 86 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1cfp h PHE 87 N 0.00 -1.10 -1.40 -0.32 3.57 -1.97 -3.42 116.94 112.30 1cfp h PHE 87 Ca 0.00 0.08 -0.48 0.00 3.53 0.00 0.00 57.97 61.10 1cfp h PHE 87 Cb 0.00 0.57 0.25 0.00 2.79 0.00 0.00 35.95 39.56 1cfp h PHE 87 CO 0.00 -0.40 -2.23 1.19 -2.23 0.00 0.00 178.31 174.64 1cfp n PHE 88 N -5.42 -1.33 -3.73 0.41 3.72 -1.19 -3.48 117.46 106.44 1cfp n PHE 88 Ca 0.04 0.51 -0.27 0.00 -0.05 0.00 0.00 57.45 57.68 1cfp n PHE 88 Cb 0.36 -1.44 0.00 0.00 -0.94 0.00 0.00 39.48 37.47 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 1.06 -1.04 -1.91 -1.08 4.07 -1.01 -4.70 120.64 116.04 1cfp n GLU 89 Ca -0.01 0.45 -0.01 0.00 -0.06 0.00 0.00 57.16 57.52 1cfp n GLU 89 Cb 0.72 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 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 -2.92 -0.20 1.91 4.31 -0.00 -1.23 -4.89 115.22 112.20 1cfp n HIS 90 Ca -0.23 -0.29 0.16 0.00 0.46 0.00 0.00 57.72 57.81 1cfp n HIS 90 Cb 0.56 0.79 0.88 0.00 -0.12 0.00 0.00 29.99 32.10 1cfp n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89