#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qns n GLN 11 N 0.00 0.00 -0.03 0.00 0.00 -1.26 -5.09 117.38 111.00 2qns n GLN 11 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.00 56.83 2qns n GLN 11 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.11 2qns n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qns h ALA 12 N 0.00 0.01 0.00 2.61 0.00 -2.05 -3.35 119.26 116.48 2qns h ALA 12 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2qns h ALA 12 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2qns h ALA 12 CO 0.00 0.25 0.00 -2.13 0.00 0.00 0.00 179.25 177.37 2qns n ARG 13 N -4.39 0.00 0.00 0.00 0.63 -1.26 0.24 116.66 111.88 2qns n ARG 13 Ca -0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 2qns n ARG 13 Cb 0.64 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.55 2qns n ARG 13 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2qns n LYS 14 N 0.00 0.00 0.00 -0.14 5.02 -1.26 -3.35 118.16 118.43 2qns n LYS 14 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qns n LYS 14 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 2qns n LYS 14 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2qns n LEU 15 N -1.94 0.00 0.00 -0.35 0.00 0.66 -1.85 117.00 113.52 2qns n LEU 15 Ca 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 56.01 56.27 2qns n LEU 15 Cb 0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 43.42 43.27 2qns n LEU 15 CO 0.00 -0.27 -0.06 0.52 0.00 0.00 0.00 177.39 177.58 2qns n VAL 16 N -1.25 0.37 0.00 1.96 0.31 -0.92 -3.66 118.33 115.15 2qns n VAL 16 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 2qns n VAL 16 Cb 0.03 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 2qns n VAL 16 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qns n GLU 17 N -2.87 0.00 -0.04 5.55 -0.58 -1.21 0.52 120.64 122.01 2qns n GLU 17 Ca -0.01 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.51 2qns n GLU 17 Cb 0.05 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.79 2qns n GLU 17 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2qns h GLN 18 N 0.00 0.15 0.00 3.49 -0.00 -1.52 0.70 115.11 117.93 2qns h GLN 18 Ca 0.00 -0.26 -0.03 0.00 -0.00 0.00 0.00 58.65 58.36 2qns h GLN 18 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.57 2qns h GLN 18 CO 0.00 1.12 -0.25 -0.07 0.00 0.00 0.00 178.83 179.63 2qns h LEU 19 N -0.49 0.00 -1.45 -2.39 3.38 -1.20 -3.01 115.31 110.15 2qns h LEU 19 Ca -0.34 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 2qns h LEU 19 Cb 1.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 2qns h LEU 19 CO -0.03 0.13 -0.24 0.50 0.09 0.00 0.00 178.44 178.89 2qns h LYS 20 N 0.00 0.00 0.00 1.13 3.64 1.25 -3.01 116.57 119.59 2qns h LYS 20 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2qns h LYS 20 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2qns h LYS 20 CO 0.02 0.24 -1.58 0.00 -2.27 0.00 0.00 179.45 175.85 2qns n MET 21 N -3.68 0.64 0.00 1.90 0.00 0.23 -4.19 117.12 112.03 2qns n MET 21 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 57.70 57.57 2qns n MET 21 Cb 0.36 -1.44 0.00 0.00 0.00 0.00 0.00 33.22 32.13 2qns n MET 21 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2qns n GLU 22 N -1.95 2.10 -1.54 3.17 0.28 -1.14 -0.92 120.64 120.64 2qns n GLU 22 Ca -0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.61 2qns n GLU 22 Cb 0.44 -0.98 -0.05 0.00 1.43 0.00 0.00 31.44 32.29 2qns n GLU 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2qns n ALA 23 N -1.70 0.85 -1.85 -1.84 0.00 -1.14 -4.83 120.51 110.00 2qns n ALA 23 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2qns n ALA 23 Cb 0.25 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.65 2qns n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qns n ASN 24 N 14.63 0.00 -0.50 0.00 5.03 -0.10 -4.17 115.26 130.15 2qns n ASN 24 Ca 0.40 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.87 2qns n ASN 24 Cb 0.47 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.22 2qns n ASN 24 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2qns n ILE 25 N 0.00 0.00 -2.85 2.41 -5.35 -1.26 -4.97 119.36 107.34 2qns n ILE 25 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2qns n ILE 25 Cb 0.00 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 2qns n ILE 25 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2qns n ASP 26 N -3.73 1.45 0.00 7.28 5.75 -1.26 -5.14 116.55 120.91 2qns n ASP 26 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 2qns n ASP 26 Cb 0.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2qns n ASP 26 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2qns n ARG 27 N -0.03 0.00 -0.08 0.11 1.74 -1.26 -5.05 116.66 112.08 2qns n ARG 27 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2qns n ARG 27 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2qns n ARG 27 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2qns n ILE 28 N 0.00 0.00 0.00 0.55 -0.00 -1.26 -4.83 119.36 113.83 2qns n ILE 28 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2qns n ILE 28 Cb 0.00 -1.21 0.00 0.00 -0.00 0.00 0.00 39.64 38.43 2qns n ILE 28 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qns n LYS 29 N 4.23 0.00 -0.49 0.38 4.76 -1.26 -2.59 118.16 123.19 2qns n LYS 29 Ca 0.00 0.00 0.40 0.00 -2.87 0.00 0.00 58.31 55.84 2qns n LYS 29 Cb 0.00 0.00 0.64 0.00 -1.84 0.00 0.00 35.03 33.83 2qns n LYS 29 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2qns n VAL 30 N 0.05 -0.16 -0.31 -0.18 0.31 -1.26 0.66 118.33 117.43 2qns n VAL 30 Ca 0.00 1.52 0.19 0.00 -0.01 0.00 0.00 64.34 66.04 2qns n VAL 30 Cb 0.00 -2.51 0.36 0.00 -0.91 0.00 0.00 33.84 30.78 2qns n VAL 30 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qns n SER 31 N -4.25 0.03 -0.07 4.52 3.41 -1.26 0.12 113.62 116.11 2qns n SER 31 Ca 0.37 1.57 -0.06 0.00 -0.26 0.00 0.00 58.87 60.49 2qns n SER 31 Cb 1.52 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 64.82 2qns n SER 31 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qns n LYS 32 N -5.29 0.46 -0.02 4.33 4.81 2.97 -3.18 118.16 122.25 2qns n LYS 32 Ca 0.26 0.53 -0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2qns n LYS 32 Cb 0.87 -1.70 -0.00 0.00 0.02 0.00 0.00 35.03 34.22 2qns n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qns n ALA 33 N -3.62 -0.03 0.52 3.14 0.00 -1.07 -1.89 120.51 117.56 2qns n ALA 33 Ca -0.09 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.44 2qns n ALA 33 Cb 0.30 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.04 2qns n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qns n ALA 34 N -3.36 1.66 -0.13 0.00 0.00 0.31 -3.79 120.51 115.21 2qns n ALA 34 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2qns n ALA 34 Cb 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2qns n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qns n ALA 35 N -1.33 0.00 0.00 0.00 0.00 -0.79 -2.85 120.51 115.54 2qns n ALA 35 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qns n ALA 35 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2qns n ALA 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qns n ASP 36 N -2.00 0.00 0.00 0.00 8.00 -1.21 0.30 116.55 121.65 2qns n ASP 36 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2qns n ASP 36 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2qns n ASP 36 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qns n LEU 37 N -1.38 0.00 -0.24 0.64 4.77 -1.25 -1.00 117.00 118.54 2qns n LEU 37 Ca 0.00 0.18 0.32 0.00 -0.03 0.00 0.00 56.01 56.48 2qns n LEU 37 Cb 0.00 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 41.75 2qns n LEU 37 CO 0.00 0.00 1.29 -0.03 -1.33 0.00 0.00 177.39 177.32 2qns h MET 38 N 0.00 0.00 -0.44 3.23 4.05 0.47 3.56 114.93 125.80 2qns h MET 38 Ca 0.00 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.10 2qns h MET 38 Cb 0.00 0.00 -0.25 0.00 -0.80 0.00 0.00 31.60 30.55 2qns h MET 38 CO 0.00 0.00 -0.64 0.00 0.23 0.00 0.00 176.91 176.50 2qns n ALA 39 N -2.51 4.48 -0.06 0.39 0.00 -1.02 -3.08 120.51 118.71 2qns n ALA 39 Ca 0.23 -3.57 -0.03 0.00 0.00 0.00 0.00 53.44 50.07 2qns n ALA 39 Cb 1.30 -0.37 -0.01 0.00 0.00 0.00 0.00 19.45 20.37 2qns n ALA 39 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2qns h TYR 40 N 1.67 0.00 -0.09 0.00 5.03 0.85 -3.28 116.97 121.14 2qns h TYR 40 Ca 0.22 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.35 2qns h TYR 40 Cb 1.32 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 39.54 2qns h TYR 40 CO 0.83 0.00 1.19 0.00 -1.32 0.00 0.00 178.16 178.86 2qns n GLU 42 N 6.39 1.14 0.11 0.00 1.02 -1.18 -4.22 120.64 123.91 2qns n GLU 42 Ca 0.49 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.55 2qns n GLU 42 Cb 0.30 -0.10 -0.05 0.00 -0.02 0.00 0.00 31.44 31.57 2qns n GLU 42 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qns h ALA 43 N 0.00 -0.88 -0.13 0.62 0.00 -1.68 -3.12 119.26 114.07 2qns h ALA 43 Ca 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2qns h ALA 43 Cb 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2qns h ALA 43 CO 0.00 -0.92 0.11 0.72 0.00 0.00 0.00 179.25 179.16 2qns n HIS 44 N -3.93 0.41 1.18 0.00 8.25 -0.30 -3.91 115.22 116.93 2qns n HIS 44 Ca -0.05 -1.13 0.12 0.00 -0.26 0.00 0.00 57.72 56.40 2qns n HIS 44 Cb 0.22 -0.56 0.24 0.00 1.12 0.00 0.00 29.99 31.02 2qns n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qns n ALA 45 N 0.99 2.90 -0.52 -1.41 0.00 -1.18 -4.19 120.51 117.10 2qns n ALA 45 Ca 0.08 -0.55 0.06 0.00 0.00 0.00 0.00 53.44 53.03 2qns n ALA 45 Cb 0.55 -0.97 0.17 0.00 0.00 0.00 0.00 19.45 19.20 2qns n ALA 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qns n LYS 46 N 0.27 2.76 -0.30 0.00 3.00 -1.25 -3.57 118.16 119.07 2qns n LYS 46 Ca 0.14 -2.30 0.00 0.00 -0.00 0.00 0.00 58.31 56.15 2qns n LYS 46 Cb 0.45 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 34.03 2qns n LYS 46 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2qns n GLU 47 N -0.16 0.00 -2.63 1.64 0.28 -1.26 -4.95 120.64 113.56 2qns n GLU 47 Ca 0.14 -0.39 -0.42 0.00 -0.16 0.00 0.00 57.16 56.33 2qns n GLU 47 Cb 0.58 -0.24 -0.03 0.00 1.43 0.00 0.00 31.44 33.18 2qns n GLU 47 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2qns s ASP 48 N -0.29 6.44 0.60 -1.84 -1.08 -1.23 -4.89 116.67 114.39 2qns s ASP 48 Ca 0.00 -1.34 0.27 0.00 -0.52 0.00 0.00 52.55 50.97 2qns s ASP 48 Cb 0.00 -2.54 1.28 0.00 -1.46 0.00 0.00 42.92 40.20 2qns s ASP 48 CO 0.00 -1.50 1.69 -0.65 0.52 0.00 0.00 175.17 175.23 2qns h PRO 49 N 9.69 0.00 0.00 4.34 0.11 -1.93 0.93 132.00 145.13 2qns h PRO 49 Ca 0.08 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 2qns h PRO 49 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2qns h PRO 49 CO 1.34 0.00 -1.17 1.28 -0.21 0.00 0.00 178.00 179.24 2qns n LEU 50 N -3.45 0.81 0.00 2.35 4.77 -1.26 -3.92 117.00 116.29 2qns n LEU 50 Ca 0.12 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2qns n LEU 50 Cb 0.93 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 2qns n LEU 50 CO 0.24 -0.09 0.00 -0.11 -1.33 0.00 0.00 177.39 176.11 2qns n LEU 51 N -2.71 0.00 0.00 2.23 0.00 0.32 -4.61 117.00 112.23 2qns n LEU 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.98 2qns n LEU 51 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.05 2qns n LEU 51 CO 0.41 0.00 0.00 0.41 0.00 0.00 0.00 177.39 178.21 2qns n THR 52 N 0.00 0.00 -2.86 1.96 -1.04 -1.23 -5.04 114.28 106.07 2qns n THR 52 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 2qns n THR 52 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 2qns n THR 52 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2qns n PRO 53 N 0.05 0.38 -3.64 -2.82 -0.02 -1.25 -4.17 135.00 123.54 2qns n PRO 53 Ca 0.00 -2.65 -0.10 0.00 -2.02 0.00 0.00 63.50 58.72 2qns n PRO 53 Cb 0.00 -0.36 -0.07 0.00 -0.02 0.00 0.00 33.50 33.05 2qns n PRO 53 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qns s VAL 54 N -2.42 0.00 0.00 -1.45 1.01 -1.26 -5.04 120.40 111.24 2qns s VAL 54 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2qns s VAL 54 Cb -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.34 2qns s VAL 54 CO 0.36 0.00 0.00 -2.65 0.00 0.00 0.00 175.10 172.81 2qns n PRO 55 N 2.34 0.00 -0.06 2.72 -0.02 -1.26 -4.55 135.00 134.17 2qns n PRO 55 Ca -0.13 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.41 2qns n PRO 55 Cb 0.56 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.14 2qns n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qns n ALA 56 N 0.00 0.19 -3.28 3.55 0.00 -1.26 -4.11 120.51 115.60 2qns n ALA 56 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.56 2qns n ALA 56 Cb 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 19.45 19.28 2qns n ALA 56 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qns n SER 57 N -3.21 0.80 -0.19 0.00 3.41 -1.26 -3.88 113.62 109.28 2qns n SER 57 Ca 0.06 -1.27 0.24 0.00 -0.26 0.00 0.00 58.87 57.64 2qns n SER 57 Cb 0.23 -0.04 0.37 0.00 -0.26 0.00 0.00 64.21 64.52 2qns n SER 57 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2qns n GLU 58 N -0.96 0.01 -3.49 4.33 2.13 -1.26 -4.83 120.64 116.57 2qns n GLU 58 Ca 0.01 0.87 -0.28 0.00 0.66 0.00 0.00 57.16 58.42 2qns n GLU 58 Cb 0.10 -2.15 -0.13 0.00 0.27 0.00 0.00 31.44 29.53 2qns n GLU 58 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2qns s ASN 59 N -3.39 3.10 -0.25 4.31 0.02 -1.25 -4.36 114.94 113.12 2qns s ASN 59 Ca -0.02 -1.74 0.01 0.00 -1.02 0.00 0.00 52.86 50.08 2qns s ASN 59 Cb 0.12 -0.31 0.26 0.00 0.02 0.00 0.00 41.25 41.34 2qns s ASN 59 CO 0.41 -0.37 1.67 -2.65 0.02 0.00 0.00 177.10 176.18 2qns n PRO 60 N 4.60 1.66 -0.66 -0.60 -0.02 -1.26 -4.16 135.00 134.55 2qns n PRO 60 Ca 0.04 -1.43 -0.02 0.00 -2.02 0.00 0.00 63.50 60.08 2qns n PRO 60 Cb 0.40 -1.56 -0.02 0.00 -0.02 0.00 0.00 33.50 32.30 2qns n PRO 60 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2qns n PHE 61 N 0.02 0.00 -1.04 6.00 3.72 -1.26 -5.23 117.46 119.67 2qns n PHE 61 Ca 0.28 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2qns n PHE 61 Cb 0.84 0.27 0.00 0.00 -0.94 0.00 0.00 39.48 39.65 2qns n PHE 61 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25