#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 3.36 -0.41 1.61 0.09 -1.26 -4.92 115.29 113.77 1m57 s HIS 9 Ca 0.00 1.45 0.09 0.00 -0.00 0.00 0.00 55.06 56.60 1m57 s HIS 9 Cb 0.00 -3.27 0.30 0.00 -0.00 0.00 0.00 32.58 29.60 1m57 s HIS 9 CO 0.00 -0.59 0.76 0.28 -0.00 0.00 0.00 174.74 175.19 1m57 n VAL 10 N 4.82 -0.28 -1.68 -0.90 0.31 -1.26 -5.12 118.33 114.23 1m57 n VAL 10 Ca 0.10 -3.40 -0.45 0.00 -0.01 0.00 0.00 64.34 60.58 1m57 n VAL 10 Cb 0.47 -0.20 -0.04 0.00 -0.91 0.00 0.00 33.84 33.16 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 0.84 1.56 -0.57 3.52 0.00 -1.26 -2.22 120.51 122.38 1m57 n ALA 11 Ca 0.18 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1m57 n ALA 11 Cb 0.62 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 3.61 1.19 2.20 0.00 0.00 -1.26 -4.89 105.19 106.04 1m57 n GLY 12 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 6.42 -4.92 1.61 2.88 -0.94 -4.95 113.62 113.72 1m57 n SER 13 Ca 0.00 -3.76 -0.30 0.00 -1.33 0.00 0.00 58.87 53.48 1m57 n SER 13 Cb 0.00 -0.85 -0.04 0.00 -0.75 0.00 0.00 64.21 62.57 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 -3.68 3.48 -0.20 -1.46 0.00 -1.26 -5.06 119.30 111.11 1m57 s MET 14 Ca 0.61 -0.38 -0.29 0.00 0.00 0.00 0.00 55.69 55.63 1m57 s MET 14 Cb 0.49 -2.99 -0.01 0.00 0.00 0.00 0.00 34.83 32.32 1m57 s MET 14 CO 0.02 0.56 1.30 0.34 0.00 0.00 0.00 175.02 177.24 1m57 s ASP 15 N -2.59 6.84 -0.17 1.11 -1.08 -1.26 -4.92 116.67 114.61 1m57 s ASP 15 Ca 0.36 1.57 0.17 0.00 -0.52 0.00 0.00 52.55 54.14 1m57 s ASP 15 Cb -0.13 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.28 1m57 s ASP 15 CO 0.27 -0.87 1.37 -0.38 0.52 0.00 0.00 175.17 176.08 1m57 n ILE 16 N 5.65 2.19 0.13 4.11 5.41 -1.26 -4.76 119.36 130.82 1m57 n ILE 16 Ca 0.14 -1.92 -0.14 0.00 1.00 0.00 0.00 62.75 61.84 1m57 n ILE 16 Cb 0.45 -0.23 -0.06 0.00 -0.71 0.00 0.00 39.64 39.09 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 1.52 0.30 -0.93 1.39 2.02 -2.00 -1.60 112.91 113.60 1m57 h THR 17 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1m57 h THR 17 Cb 1.36 0.30 -0.07 0.00 -1.74 0.00 0.00 68.15 67.99 1m57 h THR 17 CO 0.18 0.00 0.58 1.56 0.37 0.00 0.00 175.52 178.22 1m57 h GLN 18 N -0.58 0.98 -0.45 6.66 1.08 -2.00 -1.27 115.11 119.54 1m57 h GLN 18 Ca 0.02 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1m57 h GLN 18 Cb 0.59 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1m57 h GLN 18 CO -0.18 0.65 0.06 1.96 -0.95 0.00 0.00 178.83 180.37 1m57 h GLN 19 N 1.01 0.75 -0.48 1.46 7.50 -1.81 -0.88 115.11 122.66 1m57 h GLN 19 Ca 0.43 -0.21 -0.04 0.00 0.50 0.00 0.00 58.65 59.33 1m57 h GLN 19 Cb 0.29 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.71 1m57 h GLN 19 CO -0.21 0.78 0.11 0.93 -1.50 0.00 0.00 178.83 178.94 1m57 h GLU 20 N 0.60 0.73 0.03 1.46 5.08 -0.83 0.94 114.58 122.59 1m57 h GLU 20 Ca 0.13 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1m57 h GLU 20 Cb 0.40 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1m57 h GLU 20 CO 0.01 0.66 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.45 1m57 h LYS 21 N 0.70 -0.04 -0.34 2.33 3.64 -1.18 -2.63 116.57 119.05 1m57 h LYS 21 Ca 0.16 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1m57 h LYS 21 Cb 0.27 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.03 1m57 h LYS 21 CO -0.00 0.27 -0.46 1.15 -2.27 0.00 0.00 179.45 178.15 1m57 h THR 22 N -0.36 0.00 -0.69 1.00 2.02 0.12 -0.75 112.91 114.24 1m57 h THR 22 Ca -0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1m57 h THR 22 Cb 0.34 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.63 1m57 h THR 22 CO 0.01 0.00 0.03 0.15 0.37 0.00 0.00 175.52 176.07 1m57 h PHE 23 N -0.32 -0.00 -0.51 3.16 3.57 -0.94 0.56 116.94 122.46 1m57 h PHE 23 Ca 0.06 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.70 1m57 h PHE 23 Cb 0.48 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 1m57 h PHE 23 CO -0.71 -0.19 0.05 0.00 -2.23 0.00 0.00 178.31 175.23 1m57 h ALA 24 N 1.63 0.52 0.22 2.41 0.00 -0.89 0.79 119.26 123.95 1m57 h ALA 24 Ca 0.37 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1m57 h ALA 24 Cb 0.63 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1m57 h ALA 24 CO -0.58 -0.35 -0.11 0.78 0.00 0.00 0.00 179.25 178.99 1m57 h GLY 25 N 0.17 -0.31 -0.46 0.00 0.00 0.10 -1.35 103.07 101.22 1m57 h GLY 25 Ca 0.26 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.75 1m57 h GLY 25 CO -0.38 -0.11 -0.47 -2.75 0.00 0.00 0.00 176.54 172.82 1m57 h PHE 26 N -0.44 -1.47 -0.42 5.60 3.57 0.73 1.15 116.94 125.66 1m57 h PHE 26 Ca -0.03 0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1m57 h PHE 26 Cb 0.34 0.70 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 1m57 h PHE 26 CO -0.02 -0.39 -0.27 0.28 -2.23 0.00 0.00 178.31 175.68 1m57 h VAL 27 N -0.25 0.00 -0.64 1.41 2.07 0.79 -0.12 116.25 119.51 1m57 h VAL 27 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.68 1m57 h VAL 27 Cb 0.46 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 1m57 h VAL 27 CO -0.57 0.00 0.29 0.03 0.02 0.00 0.00 177.57 177.34 1m57 h ARG 28 N -0.03 0.50 -0.20 1.57 3.08 0.15 -2.54 114.38 116.91 1m57 h ARG 28 Ca 0.07 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1m57 h ARG 28 Cb 0.21 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1m57 h ARG 28 CO -0.41 0.33 -0.01 1.98 -1.07 0.00 0.00 179.97 180.78 1m57 h MET 29 N 0.51 0.05 0.14 0.04 4.05 0.31 -2.09 114.93 117.94 1m57 h MET 29 Ca 0.31 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.75 1m57 h MET 29 Cb 0.33 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.08 1m57 h MET 29 CO -0.27 0.03 -0.43 0.28 0.23 0.00 0.00 176.91 176.75 1m57 h VAL 30 N 0.05 0.13 -0.76 -5.77 2.07 -0.96 0.28 116.25 111.29 1m57 h VAL 30 Ca 0.10 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.76 1m57 h VAL 30 Cb 0.13 0.13 -0.14 0.00 -1.52 0.00 0.00 31.29 29.89 1m57 h VAL 30 CO -0.17 0.00 -0.23 0.74 0.02 0.00 0.00 177.57 177.92 1m57 h THR 31 N -0.68 0.19 0.05 2.57 2.02 -1.37 0.38 112.91 116.06 1m57 h THR 31 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1m57 h THR 31 Cb 0.70 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1m57 h THR 31 CO -0.24 0.00 -0.16 -0.25 0.37 0.00 0.00 175.52 175.24 1m57 h TRP 32 N -0.03 -0.47 0.00 3.16 7.01 -0.88 -2.25 115.95 122.49 1m57 h TRP 32 Ca 0.35 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.36 1m57 h TRP 32 Cb 0.57 0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.83 1m57 h TRP 32 CO -0.64 -0.19 0.00 0.00 -2.79 0.00 0.00 178.44 174.82 1m57 n ALA 33 N -2.58 0.00 -0.09 2.65 0.00 0.11 -0.84 120.51 119.76 1m57 n ALA 33 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 1m57 n ALA 33 Cb 0.13 0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.05 -0.14 -0.33 0.00 0.00 -0.04 0.11 120.51 118.07 1m57 n ALA 34 Ca 0.00 0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.71 1m57 n ALA 34 Cb 0.00 0.19 0.24 0.00 0.00 0.00 0.00 19.45 19.88 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 0.79 -0.95 0.00 2.07 -0.74 0.40 116.25 117.82 1m57 h VAL 35 Ca 0.03 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1m57 h VAL 35 Cb 0.09 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 29.75 1m57 h VAL 35 CO -0.21 0.14 0.61 0.58 0.02 0.00 0.00 177.57 178.72 1m57 h VAL 36 N 0.77 1.09 0.63 2.57 2.07 0.28 -1.50 116.25 122.18 1m57 h VAL 36 Ca 0.49 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 1m57 h VAL 36 Cb 0.64 -0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1m57 h VAL 36 CO -0.33 0.21 -0.31 0.40 0.02 0.00 0.00 177.57 177.56 1m57 h ILE 37 N 1.13 0.20 -0.67 4.57 2.04 0.82 -0.05 117.51 125.54 1m57 h ILE 37 Ca 0.40 -0.31 0.13 0.00 1.00 0.00 0.00 64.86 66.08 1m57 h ILE 37 Cb 0.13 0.27 -0.13 0.00 -0.74 0.00 0.00 36.82 36.35 1m57 h ILE 37 CO -0.16 0.03 -0.26 0.58 0.00 0.00 0.00 178.15 178.33 1m57 h VAL 38 N -1.10 0.21 -0.60 1.67 2.07 -1.20 1.72 116.25 119.02 1m57 h VAL 38 Ca -0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1m57 h VAL 38 Cb 0.70 0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 30.57 1m57 h VAL 38 CO 0.14 0.00 -0.46 0.00 0.02 0.00 0.00 177.57 177.27 1m57 h ALA 39 N 1.37 -0.39 0.62 1.67 0.00 -1.13 0.58 119.26 121.98 1m57 h ALA 39 Ca 0.29 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1m57 h ALA 39 Cb 0.54 1.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1m57 h ALA 39 CO -0.73 -0.86 -0.51 0.00 0.00 0.00 0.00 179.25 177.15 1m57 h ALA 40 N 0.54 -1.21 -0.73 0.00 0.00 0.27 0.67 119.26 118.80 1m57 h ALA 40 Ca 0.17 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1m57 h ALA 40 Cb 0.56 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 1m57 h ALA 40 CO -0.70 -1.21 -0.43 1.28 0.00 0.00 0.00 179.25 178.19 1m57 n LEU 41 N -5.58 -0.77 -0.21 0.00 4.77 0.51 0.12 117.00 115.84 1m57 n LEU 41 Ca -0.13 1.56 -0.08 0.00 -0.03 0.00 0.00 56.01 57.33 1m57 n LEU 41 Cb 0.48 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1m57 n LEU 41 CO 0.30 -1.19 0.58 0.40 -1.33 0.00 0.00 177.39 176.15 1m57 h ILE 42 N 0.00 0.10 -0.28 -0.08 2.04 0.13 0.97 117.51 120.39 1m57 h ILE 42 Ca 0.12 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1m57 h ILE 42 Cb 0.30 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1m57 h ILE 42 CO -0.68 0.00 -0.18 0.15 0.00 0.00 0.00 178.15 177.43 1m57 h PHE 43 N -0.21 -0.58 -0.76 1.37 3.04 0.69 0.19 116.94 120.68 1m57 h PHE 43 Ca 0.19 0.04 0.07 0.00 3.98 0.00 0.00 57.97 62.25 1m57 h PHE 43 Cb 0.56 0.29 -0.09 0.00 2.56 0.00 0.00 35.95 39.27 1m57 h PHE 43 CO -0.70 -0.12 -0.45 -0.11 -2.02 0.00 0.00 178.31 174.91 1m57 n LEU 44 N -3.67 -0.81 -0.12 0.59 7.94 -0.29 0.67 117.00 121.32 1m57 n LEU 44 Ca 0.00 1.49 -0.03 0.00 -1.11 0.00 0.00 56.01 56.36 1m57 n LEU 44 Cb 0.08 -0.24 -0.03 0.00 0.53 0.00 0.00 43.42 43.76 1m57 n LEU 44 CO -0.04 -1.17 0.42 0.00 -1.11 0.00 0.00 177.39 175.49 1m57 n ALA 45 N -3.26 -0.18 -0.21 1.96 0.00 0.46 0.94 120.51 120.22 1m57 n ALA 45 Ca 0.02 0.23 0.01 0.00 0.00 0.00 0.00 53.44 53.70 1m57 n ALA 45 Cb 0.20 0.25 0.12 0.00 0.00 0.00 0.00 19.45 20.02 1m57 n ALA 45 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1m57 h LEU 46 N 0.00 0.23 -0.68 0.00 3.38 0.24 0.32 115.31 118.79 1m57 h LEU 46 Ca 0.04 0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1m57 h LEU 46 Cb 0.11 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1m57 h LEU 46 CO -0.26 0.13 -0.38 0.00 0.09 0.00 0.00 178.44 178.02 1m57 h ALA 47 N 1.44 0.86 0.00 1.53 0.00 0.38 -3.41 119.26 120.05 1m57 h ALA 47 Ca 0.32 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1m57 h ALA 47 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1m57 h ALA 47 CO -0.32 0.64 0.00 -1.71 0.00 0.00 0.00 179.25 177.85 1m57 n ASN 48 N -4.04 0.01 0.00 0.00 5.15 0.27 -5.05 115.26 111.60 1m57 n ASN 48 Ca -0.01 -0.12 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1m57 n ASN 48 Cb 0.50 0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 1m57 n ASN 48 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66