#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m57 s HIS 9 N 0.00 3.81 -0.44 1.61 0.09 -1.26 -4.91 115.29 114.19 1m57 s HIS 9 Ca 0.00 1.76 0.07 0.00 -0.00 0.00 0.00 55.06 56.90 1m57 s HIS 9 Cb 0.00 -3.03 0.32 0.00 -0.00 0.00 0.00 32.58 29.87 1m57 s HIS 9 CO 0.00 0.22 0.99 0.28 -0.00 0.00 0.00 174.74 176.23 1m57 n VAL 10 N 2.77 -0.06 -1.66 -0.90 0.31 -1.26 -5.11 118.33 112.42 1m57 n VAL 10 Ca 0.02 -2.25 -0.52 0.00 -0.01 0.00 0.00 64.34 61.58 1m57 n VAL 10 Cb 0.49 1.01 -0.06 0.00 -0.91 0.00 0.00 33.84 34.37 1m57 n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1m57 n ALA 11 N 0.50 0.05 -0.79 3.52 0.00 -1.26 -2.18 120.51 120.34 1m57 n ALA 11 Ca 0.11 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1m57 n ALA 11 Cb 0.68 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1m57 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m57 n GLY 12 N 3.58 0.68 2.15 0.00 0.00 -1.26 -4.94 105.19 105.42 1m57 n GLY 12 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1m57 n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1m57 n SER 13 N 0.00 6.14 -4.89 1.61 2.88 -0.93 -4.97 113.62 113.46 1m57 n SER 13 Ca 0.00 -3.77 -0.35 0.00 -1.33 0.00 0.00 58.87 53.43 1m57 n SER 13 Cb 0.00 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 62.79 1m57 n SER 13 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1m57 s MET 14 N -3.70 3.51 -0.06 -1.46 0.00 -1.26 -5.05 119.30 111.27 1m57 s MET 14 Ca 0.57 -0.16 -0.30 0.00 0.00 0.00 0.00 55.69 55.80 1m57 s MET 14 Cb 0.45 -3.11 -0.03 0.00 0.00 0.00 0.00 34.83 32.14 1m57 s MET 14 CO 0.02 0.68 1.27 0.34 0.00 0.00 0.00 175.02 177.33 1m57 s ASP 15 N -1.64 6.98 -0.20 1.11 -1.08 -1.26 -4.89 116.67 115.69 1m57 s ASP 15 Ca 0.25 1.87 0.14 0.00 -0.52 0.00 0.00 52.55 54.29 1m57 s ASP 15 Cb -0.13 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.21 1m57 s ASP 15 CO 0.15 -0.65 1.31 -0.38 0.52 0.00 0.00 175.17 176.11 1m57 n ILE 16 N 4.78 2.22 -0.01 4.11 5.41 -1.26 -4.81 119.36 129.80 1m57 n ILE 16 Ca 0.12 -2.50 -0.11 0.00 1.00 0.00 0.00 62.75 61.26 1m57 n ILE 16 Cb 0.45 -0.26 -0.05 0.00 -0.71 0.00 0.00 39.64 39.06 1m57 n ILE 16 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1m57 h THR 17 N 0.88 1.08 -0.49 1.39 2.02 -2.00 -2.18 112.91 113.62 1m57 h THR 17 Ca 0.06 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.04 1m57 h THR 17 Cb 1.27 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 1m57 h THR 17 CO 0.15 0.08 0.25 1.56 0.37 0.00 0.00 175.52 177.93 1m57 h GLN 18 N 0.09 0.48 -0.15 6.66 1.08 -2.00 -1.46 115.11 119.82 1m57 h GLN 18 Ca 0.04 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1m57 h GLN 18 Cb 0.07 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 1m57 h GLN 18 CO -0.01 0.32 -0.07 1.96 -0.95 0.00 0.00 178.83 180.08 1m57 h GLN 19 N 0.50 -0.05 -0.91 1.46 7.50 -1.85 0.35 115.11 122.10 1m57 h GLN 19 Ca 0.21 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.40 1m57 h GLN 19 Cb 0.11 0.01 -0.05 0.00 0.05 0.00 0.00 27.48 27.60 1m57 h GLN 19 CO -0.14 -0.04 0.60 0.93 -1.50 0.00 0.00 178.83 178.68 1m57 h GLU 20 N -0.06 1.10 0.52 1.46 5.08 -1.17 0.54 114.58 122.05 1m57 h GLU 20 Ca 0.08 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1m57 h GLU 20 Cb 0.18 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1m57 h GLU 20 CO -0.19 0.73 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.08 1m57 h LYS 21 N 1.13 -0.67 -0.65 2.33 3.64 -0.14 -1.47 116.57 120.74 1m57 h LYS 21 Ca 0.36 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.92 1m57 h LYS 21 Cb 0.03 0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 31.88 1m57 h LYS 21 CO -0.11 -0.40 -0.20 1.15 -2.27 0.00 0.00 179.45 177.62 1m57 h THR 22 N -0.81 0.29 -0.71 1.00 2.02 0.84 -0.77 112.91 114.77 1m57 h THR 22 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1m57 h THR 22 Cb 0.58 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1m57 h THR 22 CO 0.12 0.00 0.45 0.15 0.37 0.00 0.00 175.52 176.61 1m57 h PHE 23 N -0.04 0.90 -0.50 3.16 3.57 0.36 0.15 116.94 124.55 1m57 h PHE 23 Ca 0.30 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.91 1m57 h PHE 23 Cb 0.51 -0.30 -0.10 0.00 2.79 0.00 0.00 35.95 38.84 1m57 h PHE 23 CO -0.56 0.59 -0.25 0.00 -2.23 0.00 0.00 178.31 175.85 1m57 h ALA 24 N 1.24 0.08 0.61 2.41 0.00 -0.09 -0.22 119.26 123.30 1m57 h ALA 24 Ca 0.26 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1m57 h ALA 24 Cb -0.08 0.60 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1m57 h ALA 24 CO -0.05 -0.59 -0.30 0.78 0.00 0.00 0.00 179.25 179.09 1m57 h GLY 25 N -0.14 -0.86 -1.00 0.00 0.00 -0.62 -1.58 103.07 98.87 1m57 h GLY 25 Ca 0.23 0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.99 1m57 h GLY 25 CO -0.58 -0.31 -0.51 0.33 0.00 0.00 0.00 176.54 175.47 1m57 n PHE 26 N -5.41 -0.26 -0.03 5.60 7.35 -0.03 0.16 117.46 124.85 1m57 n PHE 26 Ca -0.13 1.24 -0.13 0.00 -0.76 0.00 0.00 57.45 57.67 1m57 n PHE 26 Cb 0.35 -0.69 -0.07 0.00 0.35 0.00 0.00 39.48 39.41 1m57 n PHE 26 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1m57 h VAL 27 N 0.00 0.08 -0.52 -2.13 2.07 -1.04 -1.10 116.25 113.62 1m57 h VAL 27 Ca 0.23 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.81 1m57 h VAL 27 Cb 0.48 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1m57 h VAL 27 CO -0.96 0.00 0.22 0.03 0.02 0.00 0.00 177.57 176.89 1m57 h ARG 28 N -0.50 0.41 0.09 1.57 3.08 0.14 -2.91 114.38 116.26 1m57 h ARG 28 Ca 0.07 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1m57 h ARG 28 Cb 0.64 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1m57 h ARG 28 CO -0.45 0.27 -0.29 1.98 -1.07 0.00 0.00 179.97 180.42 1m57 h MET 29 N 0.43 -0.47 -0.43 0.04 4.05 0.24 -1.79 114.93 117.00 1m57 h MET 29 Ca 0.25 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.75 1m57 h MET 29 Cb 0.23 0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 31.05 1m57 h MET 29 CO -0.22 -0.31 -0.56 0.28 0.23 0.00 0.00 176.91 176.33 1m57 h VAL 30 N -0.49 0.00 -0.52 -5.77 2.07 -1.04 0.32 116.25 110.83 1m57 h VAL 30 Ca 0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.66 1m57 h VAL 30 Cb 0.53 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 1m57 h VAL 30 CO -0.19 0.00 0.01 0.74 0.02 0.00 0.00 177.57 178.15 1m57 h THR 31 N -0.39 0.60 -0.05 2.57 2.02 -1.41 0.53 112.91 116.78 1m57 h THR 31 Ca 0.07 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1m57 h THR 31 Cb 0.59 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1m57 h THR 31 CO -0.61 0.02 -0.11 -0.25 0.37 0.00 0.00 175.52 174.94 1m57 h TRP 32 N 0.12 -0.34 0.00 3.16 7.01 -0.46 -2.54 115.95 122.90 1m57 h TRP 32 Ca 0.26 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.28 1m57 h TRP 32 Cb 0.40 0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1m57 h TRP 32 CO -0.32 -0.11 0.00 0.00 -2.79 0.00 0.00 178.44 175.23 1m57 n ALA 33 N -2.71 0.00 -0.21 2.65 0.00 0.02 -1.03 120.51 119.24 1m57 n ALA 33 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1m57 n ALA 33 Cb 0.07 0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 1m57 n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m57 n ALA 34 N -1.49 -0.25 -0.31 0.00 0.00 0.02 0.24 120.51 118.72 1m57 n ALA 34 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1m57 n ALA 34 Cb 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 19.45 19.47 1m57 n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1m57 h VAL 35 N 0.00 1.08 -0.44 0.00 2.07 -0.96 -0.75 116.25 117.25 1m57 h VAL 35 Ca 0.11 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.35 1m57 h VAL 35 Cb 0.23 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 29.91 1m57 h VAL 35 CO -0.48 0.19 0.08 0.58 0.02 0.00 0.00 177.57 177.96 1m57 h VAL 36 N 1.02 0.76 -0.15 2.57 2.07 0.49 0.17 116.25 123.17 1m57 h VAL 36 Ca 0.37 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 1m57 h VAL 36 Cb 0.12 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1m57 h VAL 36 CO -0.15 0.04 0.08 0.40 0.02 0.00 0.00 177.57 177.95 1m57 h ILE 37 N 0.21 1.11 -0.45 4.57 2.04 -0.46 -0.23 117.51 124.30 1m57 h ILE 37 Ca 0.22 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1m57 h ILE 37 Cb 0.28 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1m57 h ILE 37 CO -0.29 0.10 0.17 0.58 0.00 0.00 0.00 178.15 178.72 1m57 h VAL 38 N 0.13 0.88 -0.53 1.67 2.07 -0.71 1.64 116.25 121.40 1m57 h VAL 38 Ca 0.05 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1m57 h VAL 38 Cb 0.09 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.27 1m57 h VAL 38 CO -0.01 0.07 -0.52 0.00 0.02 0.00 0.00 177.57 177.13 1m57 h ALA 39 N 1.28 -0.68 0.38 1.67 0.00 -0.31 0.16 119.26 121.77 1m57 h ALA 39 Ca 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1m57 h ALA 39 Cb 0.18 1.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1m57 h ALA 39 CO -0.20 -0.96 -0.33 0.00 0.00 0.00 0.00 179.25 177.76 1m57 h ALA 40 N 0.00 -0.74 -0.97 0.00 0.00 0.97 0.42 119.26 118.95 1m57 h ALA 40 Ca 0.09 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1m57 h ALA 40 Cb 0.50 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.63 1m57 h ALA 40 CO -0.64 -0.95 -0.55 1.28 0.00 0.00 0.00 179.25 178.40 1m57 n LEU 41 N -5.45 -0.98 -0.09 0.00 4.77 0.54 0.51 117.00 116.30 1m57 n LEU 41 Ca -0.10 1.73 -0.11 0.00 -0.03 0.00 0.00 56.01 57.49 1m57 n LEU 41 Cb 0.35 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1m57 n LEU 41 CO 0.30 -1.43 0.56 0.40 -1.33 0.00 0.00 177.39 175.90 1m57 h ILE 42 N 0.00 0.10 0.00 -0.08 2.04 0.15 0.19 117.51 119.90 1m57 h ILE 42 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1m57 h ILE 42 Cb 0.42 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1m57 h ILE 42 CO -0.92 0.00 0.00 0.33 0.00 0.00 0.00 178.15 177.56 1m57 n PHE 43 N -5.42 0.00 -0.34 1.37 -0.00 0.18 -0.95 117.46 112.30 1m57 n PHE 43 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.38 1m57 n PHE 43 Cb 0.36 -0.34 -0.02 0.00 -0.00 0.00 0.00 39.48 39.47 1m57 n PHE 43 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1m57 n LEU 44 N -2.38 -0.72 -0.16 -2.13 7.94 0.53 0.31 117.00 120.40 1m57 n LEU 44 Ca 0.00 1.51 -0.04 0.00 -1.11 0.00 0.00 56.01 56.37 1m57 n LEU 44 Cb 0.00 -0.28 -0.04 0.00 0.53 0.00 0.00 43.42 43.63 1m57 n LEU 44 CO 0.00 -1.30 0.49 0.00 -1.11 0.00 0.00 177.39 175.47 1m57 h ALA 45 N 0.84 -0.22 -0.53 1.96 0.00 0.12 0.57 119.26 121.99 1m57 h ALA 45 Ca 0.23 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1m57 h ALA 45 Cb 0.44 1.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.28 1m57 h ALA 45 CO -0.83 -0.39 -0.49 -0.07 0.00 0.00 0.00 179.25 177.47 1m57 h LEU 46 N -0.00 -1.67 -1.39 0.00 3.38 0.17 0.45 115.31 116.25 1m57 h LEU 46 Ca 0.06 0.25 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 1m57 h LEU 46 Cb 0.16 0.73 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1m57 h LEU 46 CO -0.36 -0.36 -0.26 0.00 0.09 0.00 0.00 178.44 177.55 1m57 h ALA 47 N 0.36 1.20 0.00 1.53 0.00 -0.19 -3.40 119.26 118.77 1m57 h ALA 47 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1m57 h ALA 47 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1m57 h ALA 47 CO -0.66 0.33 0.00 -1.71 0.00 0.00 0.00 179.25 177.20 1m57 n ASN 48 N -3.70 0.00 0.00 0.00 5.15 0.19 -5.06 115.26 111.84 1m57 n ASN 48 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1m57 n ASN 48 Cb 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 1m57 n ASN 48 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66