#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qou s LYS 4 N 0.00 3.05 -0.14 6.28 2.20 -1.26 -4.95 119.74 124.92 2qou s LYS 4 Ca 0.00 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 54.86 2qou s LYS 4 Cb 0.00 -2.78 0.07 0.00 -1.51 0.00 0.00 37.83 33.61 2qou s LYS 4 CO 0.00 0.53 0.19 0.08 -0.36 0.00 0.00 175.35 175.80 2qou s VAL 5 N -1.59 -0.30 -0.20 4.02 1.01 -1.26 -5.10 120.40 116.98 2qou s VAL 5 Ca 0.31 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 2qou s VAL 5 Cb -0.11 -0.46 0.10 0.00 0.00 0.00 0.00 36.38 35.90 2qou s VAL 5 CO 0.24 0.00 0.32 -0.60 0.00 0.00 0.00 175.10 175.06 2qou s ARG 6 N 2.32 0.25 0.10 2.72 3.52 -1.26 -5.16 118.95 121.44 2qou s ARG 6 Ca 0.04 0.60 0.08 0.00 -0.13 0.00 0.00 55.73 56.32 2qou s ARG 6 Cb -0.13 -0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 32.83 2qou s ARG 6 CO -0.08 -0.48 -0.16 -1.21 -0.81 0.00 0.00 175.30 172.56 2qou s GLU 7 N 2.47 1.95 0.45 5.12 2.02 -1.26 -5.12 118.70 124.33 2qou s GLU 7 Ca 0.06 -1.09 -0.17 0.00 0.02 0.00 0.00 54.97 53.79 2qou s GLU 7 Cb -0.14 -2.19 -0.09 0.00 0.10 0.00 0.00 34.13 31.81 2qou s GLU 7 CO -0.12 0.50 0.92 1.21 0.02 0.00 0.00 175.26 177.79 2qou s ASN 8 N -2.01 6.73 0.10 -0.19 2.47 -1.26 -4.77 114.94 116.00 2qou s ASN 8 Ca 0.18 1.52 0.00 0.00 0.42 0.00 0.00 52.86 54.99 2qou s ASN 8 Cb -0.11 -2.48 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 2qou s ASN 8 CO 0.10 -0.45 0.00 1.21 -3.72 0.00 0.00 177.10 174.24 2qou n GLU 9 N -1.12 -4.42 -2.04 0.43 4.07 -1.26 -4.88 120.64 111.43 2qou n GLU 9 Ca 0.06 3.25 -0.42 0.00 -0.06 0.00 0.00 57.16 60.00 2qou n GLU 9 Cb 0.54 -3.71 -0.03 0.00 -0.06 0.00 0.00 31.44 28.18 2qou n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2qou s PRO 10 N -0.98 4.27 0.00 5.31 0.04 -1.26 -4.80 135.00 137.57 2qou s PRO 10 Ca 0.00 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2qou s PRO 10 Cb 0.00 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2qou s PRO 10 CO 0.00 -0.48 0.02 1.97 0.04 0.00 0.00 177.00 178.55 2qou n PHE 11 N 3.38 0.00 -3.59 0.56 1.16 -1.26 -5.08 117.46 112.63 2qou n PHE 11 Ca 0.11 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.41 2qou n PHE 11 Cb 0.40 0.07 0.02 0.00 -1.61 0.00 0.00 39.48 38.35 2qou n PHE 11 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 2qou n ASP 12 N 0.00 -5.45 -4.11 5.98 4.64 -1.26 -4.99 116.55 111.36 2qou n ASP 12 Ca 0.00 -0.53 -0.33 0.00 -1.38 0.00 0.00 54.79 52.55 2qou n ASP 12 Cb 0.31 -2.11 -0.16 0.00 -1.04 0.00 0.00 41.12 38.13 2qou n ASP 12 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2qou s VAL 13 N -2.41 2.01 0.03 5.18 0.11 -1.26 -5.06 120.40 119.01 2qou s VAL 13 Ca 0.16 -0.93 -0.12 0.00 -2.93 0.00 0.00 61.98 58.16 2qou s VAL 13 Cb -0.02 -1.84 -0.05 0.00 -1.53 0.00 0.00 36.38 32.95 2qou s VAL 13 CO 0.87 0.51 1.18 0.00 -3.33 0.00 0.00 175.10 174.34 2qou h ALA 14 N 7.95 -0.72 -2.44 1.54 0.00 -2.04 -3.46 119.26 120.09 2qou h ALA 14 Ca -0.44 -0.04 -0.40 0.00 0.00 0.00 0.00 54.91 54.03 2qou h ALA 14 Cb 1.14 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 2qou h ALA 14 CO 0.62 -0.76 -0.47 1.28 0.00 0.00 0.00 179.25 179.92 2qou n LEU 15 N -3.45 -1.73 0.28 0.00 7.99 -1.26 -4.82 117.00 114.01 2qou n LEU 15 Ca -0.03 0.16 0.17 0.00 -0.01 0.00 0.00 56.01 56.30 2qou n LEU 15 Cb 0.14 -2.83 0.79 0.00 -0.11 0.00 0.00 43.42 41.41 2qou n LEU 15 CO 0.05 -0.48 1.01 -0.09 -1.51 0.00 0.00 177.39 176.38 2qou h ARG 16 N 0.00 0.00 0.00 3.23 9.65 -2.02 -3.15 114.38 122.09 2qou h ARG 16 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 2qou h ARG 16 Cb 1.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 2qou h ARG 16 CO 0.57 0.06 0.36 0.54 2.80 0.00 0.00 179.97 184.30 2qou n ARG 17 N -3.26 0.04 0.27 0.20 5.12 -1.26 -0.17 116.66 117.59 2qou n ARG 17 Ca -0.01 0.40 0.15 0.00 -1.93 0.00 0.00 57.85 56.47 2qou n ARG 17 Cb 0.25 -1.99 0.74 0.00 -1.16 0.00 0.00 32.46 30.30 2qou n ARG 17 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2qou h PHE 18 N 0.00 0.00 -0.20 -1.55 3.04 -1.95 -2.27 116.94 114.02 2qou h PHE 18 Ca 0.00 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 2qou h PHE 18 Cb 0.73 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 2qou h PHE 18 CO 0.00 0.09 -0.07 0.87 -2.02 0.00 0.00 178.31 177.18 2qou h LYS 19 N 0.00 0.40 0.00 1.11 6.56 -0.87 -3.14 116.57 120.64 2qou h LYS 19 Ca -0.00 -0.17 -0.12 0.00 -1.06 0.00 0.00 60.65 59.31 2qou h LYS 19 Cb 0.41 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.04 2qou h LYS 19 CO 0.01 0.67 -0.56 0.00 -2.06 0.00 0.00 179.45 177.52 2qou h ARG 20 N 0.11 0.00 0.00 3.15 -0.00 -1.65 -1.21 114.38 114.78 2qou h ARG 20 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 2qou h ARG 20 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.51 2qou h ARG 20 CO 0.02 0.56 0.01 -1.13 0.00 0.00 0.00 179.97 179.43 2qou n SER 21 N -3.46 0.15 0.00 7.04 3.41 -0.87 -4.47 113.62 115.42 2qou n SER 21 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2qou n SER 21 Cb 0.66 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2qou n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qou n GLU 23 N -0.69 3.56 0.00 0.00 -0.58 -0.47 -4.84 120.64 117.62 2qou n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qou n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qou n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qou n LYS 24 N 0.00 0.00 -0.58 3.49 0.00 -1.22 -4.04 118.16 115.80 2qou n LYS 24 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.00 2qou n LYS 24 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.24 2qou n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qou n ALA 25 N 9.20 -3.54 0.00 3.14 0.00 -1.26 -0.33 120.51 127.71 2qou n ALA 25 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.22 2qou n ALA 25 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2qou n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qou n GLY 26 N 1.55 1.07 0.01 0.00 0.00 -1.26 -4.09 105.19 102.46 2qou n GLY 26 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 2qou n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qou n VAL 27 N 0.00 0.00 -0.11 1.61 0.31 -1.11 -4.14 118.33 114.90 2qou n VAL 27 Ca 0.00 -0.42 -0.21 0.00 -0.01 0.00 0.00 64.34 63.70 2qou n VAL 27 Cb 0.00 0.11 -0.07 0.00 -0.91 0.00 0.00 33.84 32.97 2qou n VAL 27 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2qou n LEU 28 N -2.13 1.72 0.00 7.52 0.00 0.55 -4.30 117.00 120.37 2qou n LEU 28 Ca -0.03 0.30 0.00 0.00 0.00 0.00 0.00 56.01 56.27 2qou n LEU 28 Cb 0.49 -0.70 0.00 0.00 0.00 0.00 0.00 43.42 43.21 2qou n LEU 28 CO 0.40 0.28 0.47 0.00 0.00 0.00 0.00 177.39 178.53 2qou n ALA 29 N -4.14 1.04 1.08 1.96 0.00 -1.26 0.84 120.51 120.03 2qou n ALA 29 Ca -0.38 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.18 2qou n ALA 29 Cb 0.73 -0.97 0.17 0.00 0.00 0.00 0.00 19.45 19.38 2qou n ALA 29 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qou n GLU 30 N -1.42 0.55 -0.00 0.00 2.13 -1.26 -4.02 120.64 116.62 2qou n GLU 30 Ca 0.00 -0.39 0.06 0.00 0.66 0.00 0.00 57.16 57.49 2qou n GLU 30 Cb 0.01 -1.49 -0.08 0.00 0.27 0.00 0.00 31.44 30.15 2qou n GLU 30 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2qou n VAL 31 N -0.89 0.00 -0.48 6.31 0.31 0.25 -4.59 118.33 119.25 2qou n VAL 31 Ca 0.08 -0.26 0.42 0.00 -0.01 0.00 0.00 64.34 64.58 2qou n VAL 31 Cb 0.37 0.41 0.77 0.00 -0.91 0.00 0.00 33.84 34.47 2qou n VAL 31 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2qou h ARG 32 N 0.00 0.02 0.00 5.55 3.08 -1.59 -3.41 114.38 118.02 2qou h ARG 32 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qou h ARG 32 Cb 0.47 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2qou h ARG 32 CO 0.00 0.01 0.00 0.54 -1.07 0.00 0.00 179.97 179.45 2qou n ARG 33 N -4.12 2.48 -0.46 0.04 1.74 -1.26 -5.14 116.66 109.93 2qou n ARG 33 Ca 0.34 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.27 2qou n ARG 33 Cb 1.55 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 33.13 2qou n ARG 33 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2qou n ARG 34 N 0.00 -1.46 0.00 5.56 -4.01 -1.26 -5.00 116.66 110.50 2qou n ARG 34 Ca 0.00 -0.71 0.00 0.00 -1.04 0.00 0.00 57.85 56.10 2qou n ARG 34 Cb 0.00 -1.41 0.00 0.00 -3.04 0.00 0.00 32.46 28.01 2qou n ARG 34 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2qou n GLU 35 N -1.47 0.00 0.01 2.89 -0.58 -1.26 -4.85 120.64 115.38 2qou n GLU 35 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2qou n GLU 35 Cb 0.29 -0.08 0.00 0.00 -0.57 0.00 0.00 31.44 31.08 2qou n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2qou n PHE 36 N 0.00 -1.99 0.00 -0.32 0.99 -1.26 -5.02 117.46 109.86 2qou n PHE 36 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 2qou n PHE 36 Cb 0.00 0.59 0.00 0.00 -1.00 0.00 0.00 39.48 39.07 2qou n PHE 36 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2qou n TYR 37 N -2.76 0.00 -0.11 1.38 4.02 -1.26 -2.00 117.16 116.44 2qou n TYR 37 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 2qou n TYR 37 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.18 2qou n TYR 37 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2qou n GLU 38 N 0.00 0.74 -0.35 -0.72 4.07 -1.26 -4.46 120.64 118.66 2qou n GLU 38 Ca 0.00 0.05 0.24 0.00 -0.06 0.00 0.00 57.16 57.39 2qou n GLU 38 Cb 0.00 -1.50 0.49 0.00 -0.06 0.00 0.00 31.44 30.37 2qou n GLU 38 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2qou h LYS 39 N 0.00 0.36 0.07 5.31 1.57 -1.82 -2.41 116.57 119.65 2qou h LYS 39 Ca -0.54 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2qou h LYS 39 Cb 2.08 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.31 2qou h LYS 39 CO -0.01 0.24 -0.04 -1.00 -0.57 0.00 0.00 179.45 178.07 2qou h PRO 40 N 0.37 -0.10 0.00 3.15 0.13 -1.78 0.81 132.00 134.58 2qou h PRO 40 Ca 0.69 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.83 2qou h PRO 40 Cb 1.66 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.81 2qou h PRO 40 CO -0.47 0.39 0.00 2.41 -0.23 0.00 0.00 178.00 180.11 2qou n THR 41 N -4.89 0.07 0.00 1.56 -1.04 -0.91 -2.06 114.28 107.01 2qou n THR 41 Ca -0.08 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2qou n THR 41 Cb 0.27 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 2qou n THR 41 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2qou n THR 42 N -0.93 0.00 -0.25 12.58 -2.24 -1.18 -4.59 114.28 117.67 2qou n THR 42 Ca 0.00 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 62.01 2qou n THR 42 Cb 0.00 -0.02 0.43 0.00 -2.10 0.00 0.00 70.33 68.65 2qou n THR 42 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2qou n GLU 43 N -0.17 -0.05 0.13 -0.78 4.07 0.27 0.18 120.64 124.29 2qou n GLU 43 Ca 0.00 1.10 -0.23 0.00 -0.06 0.00 0.00 57.16 57.97 2qou n GLU 43 Cb 0.00 -1.94 -0.16 0.00 -0.06 0.00 0.00 31.44 29.29 2qou n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qou h ARG 44 N 0.00 0.48 -0.10 5.31 -0.00 -1.39 -3.29 114.38 115.39 2qou h ARG 44 Ca 0.64 -0.82 0.00 0.00 -0.50 0.00 0.00 59.98 59.30 2qou h ARG 44 Cb 1.66 0.31 0.00 0.00 0.00 0.00 0.00 29.97 31.94 2qou h ARG 44 CO -0.62 1.39 0.00 1.63 0.00 0.00 0.00 179.97 182.37 2qou n LYS 45 N -3.67 1.38 0.07 0.04 5.02 0.48 -3.24 118.16 118.24 2qou n LYS 45 Ca -0.16 -0.58 0.12 0.00 -2.02 0.00 0.00 58.31 55.66 2qou n LYS 45 Cb 1.09 -1.31 0.17 0.00 -0.02 0.00 0.00 35.03 34.96 2qou n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qou h ARG 46 N 1.13 0.00 0.00 1.97 3.08 0.77 -3.28 114.38 118.06 2qou h ARG 46 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qou h ARG 46 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2qou h ARG 46 CO 0.00 0.00 0.04 0.00 -1.07 0.00 0.00 179.97 178.94 2qou h ALA 47 N 2.47 1.04 -0.04 0.04 0.00 -1.72 0.21 119.26 121.25 2qou h ALA 47 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 2qou h ALA 47 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2qou h ALA 47 CO 0.00 -0.04 -0.86 1.57 0.00 0.00 0.00 179.25 179.93 2qou h LYS 48 N 0.00 0.47 -0.01 0.00 2.10 -1.83 1.32 116.57 118.62 2qou h LYS 48 Ca 0.00 -0.45 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2qou h LYS 48 Cb 0.08 0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2qou h LYS 48 CO 0.00 1.09 0.07 0.00 -2.00 0.00 0.00 179.45 178.61 2qou h ALA 49 N 0.77 1.13 0.00 0.07 0.00 -0.81 0.44 119.26 120.86 2qou h ALA 49 Ca -0.06 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 2qou h ALA 49 Cb 1.47 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 2qou h ALA 49 CO 0.15 -0.07 -1.95 0.45 0.00 0.00 0.00 179.25 177.82 2qou n SER 50 N -3.13 1.84 0.32 0.00 2.88 -1.00 -4.37 113.62 110.16 2qou n SER 50 Ca -0.03 -0.02 0.20 0.00 -1.33 0.00 0.00 58.87 57.70 2qou n SER 50 Cb 0.14 0.59 1.07 0.00 -0.75 0.00 0.00 64.21 65.26 2qou n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qou h ALA 51 N 0.53 1.09 0.00 -1.46 0.00 0.32 -0.10 119.26 119.63 2qou h ALA 51 Ca -0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2qou h ALA 51 Cb 1.79 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 2qou h ALA 51 CO 0.00 0.01 -0.06 -0.24 0.00 0.00 0.00 179.25 178.97 2qou h VAL 52 N 0.00 0.41 0.00 0.00 3.04 -1.18 -3.49 116.25 115.03 2qou h VAL 52 Ca -0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2qou h VAL 52 Cb 0.10 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2qou h VAL 52 CO 0.00 0.06 0.00 1.17 -1.01 0.00 0.00 177.57 177.79