#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apq n VAL 24 N 0.00 0.00 -0.95 0.00 0.31 -1.26 -4.78 118.33 111.66 1apq n VAL 24 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1apq n VAL 24 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 1apq n VAL 24 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1apq n ASP 25 N 3.02 -0.31 -3.88 4.52 5.75 -1.26 -0.29 116.55 124.09 1apq n ASP 25 Ca 0.00 -0.91 -0.27 0.00 -0.01 0.00 0.00 54.79 53.59 1apq n ASP 25 Cb 0.00 -0.11 0.22 0.00 -1.03 0.00 0.00 41.12 40.20 1apq n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1apq n LEU 26 N 0.00 -1.47 -2.34 -2.12 -0.00 -1.22 -4.32 117.00 105.53 1apq n LEU 26 Ca 0.02 -0.42 -0.01 0.00 -0.00 0.00 0.00 56.01 55.60 1apq n LEU 26 Cb 0.06 -0.99 -0.01 0.00 -0.00 0.00 0.00 43.42 42.48 1apq n LEU 26 CO 0.04 -3.61 -0.39 -0.67 -0.00 0.00 0.00 177.39 172.76 1apq n ASP 27 N -3.50 -4.83 0.21 1.45 -0.08 -1.26 0.39 116.55 108.93 1apq n ASP 27 Ca 0.06 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.34 1apq n ASP 27 Cb 0.54 -4.06 0.00 0.00 2.34 0.00 0.00 41.12 39.93 1apq n ASP 27 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1apq n GLU 28 N 0.69 0.00 0.07 -0.67 1.02 -1.26 -0.39 120.64 120.10 1apq n GLU 28 Ca -0.08 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.86 1apq n GLU 28 Cb 0.12 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.40 1apq n GLU 28 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1apq h ALA 30 N 0.30 1.10 0.01 0.00 0.00 -1.92 -2.74 119.26 116.00 1apq h ALA 30 Ca -0.29 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1apq h ALA 30 Cb 2.07 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1apq h ALA 30 CO 0.18 -0.20 -0.00 0.66 0.00 0.00 0.00 179.25 179.89 1apq h SER 31 N 0.47 -0.01 0.00 0.00 4.64 -1.79 -3.41 113.55 113.45 1apq h SER 31 Ca 0.42 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1apq h SER 31 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1apq h SER 31 CO -0.40 0.83 0.00 0.54 -0.87 0.00 0.00 176.83 176.93 1apq n ARG 32 N -4.69 0.00 -1.62 4.77 1.74 0.21 -0.55 116.66 116.51 1apq n ARG 32 Ca -0.09 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.57 1apq n ARG 32 Cb 0.40 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.82 1apq n ARG 32 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1apq n SER 33 N 7.56 3.55 0.00 0.55 7.64 -1.26 -4.67 113.62 126.99 1apq n SER 33 Ca 0.00 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.08 1apq n SER 33 Cb 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 1apq n SER 33 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1apq n LYS 34 N 6.47 0.00 -2.86 1.43 5.02 -1.17 -0.81 118.16 126.25 1apq n LYS 34 Ca 0.51 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.69 1apq n LYS 34 Cb 0.40 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.46 1apq n LYS 34 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1apq n SER 35 N 1.59 -0.87 -2.50 4.39 7.64 -1.02 -4.52 113.62 118.33 1apq n SER 35 Ca 0.00 -3.17 -0.21 0.00 1.01 0.00 0.00 58.87 56.50 1apq n SER 35 Cb 0.00 0.72 -0.00 0.00 -1.01 0.00 0.00 64.21 63.92 1apq n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1apq n GLY 36 N 0.13 -0.50 3.46 0.23 0.00 0.29 -4.88 105.19 103.91 1apq n GLY 36 Ca 0.11 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1apq n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1apq n GLU 37 N -3.16 2.62 -0.29 1.61 1.02 0.01 -4.68 120.64 117.77 1apq n GLU 37 Ca -0.22 -2.90 0.01 0.00 -0.02 0.00 0.00 57.16 54.03 1apq n GLU 37 Cb 0.67 -3.51 -0.00 0.00 -0.02 0.00 0.00 31.44 28.58 1apq n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1apq n GLU 38 N 8.03 -0.74 -2.90 3.49 -0.58 -1.26 -4.81 120.64 121.87 1apq n GLU 38 Ca 0.48 0.58 -0.11 0.00 -0.42 0.00 0.00 57.16 57.69 1apq n GLU 38 Cb 0.45 -0.74 -0.00 0.00 -0.57 0.00 0.00 31.44 30.58 1apq n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1apq n ASP 39 N -1.84 -2.46 -4.76 1.62 2.03 -1.26 -4.52 116.55 105.35 1apq n ASP 39 Ca -0.00 -2.94 -0.41 0.00 0.52 0.00 0.00 54.79 51.96 1apq n ASP 39 Cb 0.10 1.18 -0.02 0.00 -0.72 0.00 0.00 41.12 41.66 1apq n ASP 39 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1apq s PRO 40 N 0.47 4.27 -1.08 -0.67 0.04 -1.26 -2.77 135.00 134.00 1apq s PRO 40 Ca 0.32 2.33 -0.15 0.00 0.04 0.00 0.00 61.00 63.53 1apq s PRO 40 Cb 0.10 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 1apq s PRO 40 CO -0.14 -0.36 0.81 0.94 0.04 0.00 0.00 177.00 178.30 1apq n GLN 41 N 1.35 -1.47 0.00 4.56 7.27 -1.26 -4.47 117.38 123.36 1apq n GLN 41 Ca 0.03 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.73 1apq n GLN 41 Cb 0.41 -4.56 0.00 0.00 2.41 0.00 0.00 30.24 28.50 1apq n GLN 41 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1apq n PRO 42 N -3.75 0.00 -1.63 3.69 -0.02 -1.11 -4.80 135.00 127.38 1apq n PRO 42 Ca -0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.96 1apq n PRO 42 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.04 1apq n PRO 42 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1apq n GLN 43 N 0.00 2.35 -3.26 -0.52 3.00 -1.26 -1.29 117.38 116.39 1apq n GLN 43 Ca 0.00 0.76 -0.15 0.00 -0.01 0.00 0.00 57.00 57.60 1apq n GLN 43 Cb 0.00 -3.11 0.08 0.00 0.00 0.00 0.00 30.24 27.21 1apq n GLN 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1apq n GLN 45 N -3.73 0.00 0.00 0.00 7.27 -0.41 -2.86 117.38 117.64 1apq n GLN 45 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.83 1apq n GLN 45 Cb 0.65 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.30 1apq n GLN 45 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1apq n HIS 46 N -1.22 0.00 -3.78 3.69 8.25 -1.26 -5.03 115.22 115.86 1apq n HIS 46 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1apq n HIS 46 Cb 0.00 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1apq n HIS 46 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1apq s LEU 47 N -1.81 1.02 0.50 2.41 0.05 -1.04 -5.05 118.68 114.75 1apq s LEU 47 Ca 0.00 -0.10 0.08 0.00 0.05 0.00 0.00 54.13 54.16 1apq s LEU 47 Cb 0.00 1.18 0.04 0.00 -2.05 0.00 0.00 46.19 45.36 1apq s LEU 47 CO 0.00 -0.51 0.58 0.00 -0.55 0.00 0.00 176.35 175.87 1apq s HIS 49 N -2.57 0.17 0.00 0.00 3.76 0.76 -4.81 115.29 112.60 1apq s HIS 49 Ca 0.52 -0.36 0.05 0.00 -0.15 0.00 0.00 55.06 55.13 1apq s HIS 49 Cb -0.06 -0.13 -0.02 0.00 1.11 0.00 0.00 32.58 33.49 1apq s HIS 49 CO 0.32 -0.21 -0.17 -0.80 -0.85 0.00 0.00 174.74 173.03 1apq s ASN 50 N -1.34 2.02 0.26 1.40 0.02 -1.26 -1.13 114.94 114.91 1apq s ASN 50 Ca -0.15 -0.36 -0.16 0.00 -1.02 0.00 0.00 52.86 51.17 1apq s ASN 50 Cb -0.09 -0.21 0.06 0.00 0.02 0.00 0.00 41.25 41.04 1apq s ASN 50 CO -0.00 0.18 0.82 0.00 0.02 0.00 0.00 177.10 178.12 1apq n TYR 51 N 2.45 -1.77 -2.09 2.20 4.11 0.09 -4.83 117.16 117.32 1apq n TYR 51 Ca -0.15 -1.42 -0.42 0.00 -0.00 0.00 0.00 57.90 55.91 1apq n TYR 51 Cb 0.54 0.70 -0.03 0.00 -0.00 0.00 0.00 39.34 40.56 1apq n TYR 51 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1apq s VAL 52 N -2.15 2.95 0.00 -3.48 1.01 -1.26 -0.68 120.40 116.79 1apq s VAL 52 Ca 0.18 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1apq s VAL 52 Cb -0.04 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1apq s VAL 52 CO 0.08 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1apq n GLY 53 N 2.89 1.50 0.00 4.51 0.00 0.60 -4.86 105.19 109.83 1apq n GLY 53 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1apq n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1apq n GLY 54 N -1.99 1.39 3.54 -0.02 0.00 0.14 -4.87 105.19 103.38 1apq n GLY 54 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 1apq n GLY 54 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1apq s TYR 55 N 0.00 -0.12 0.31 1.61 1.13 -1.26 -0.73 117.35 118.28 1apq s TYR 55 Ca 0.00 -0.22 0.05 0.00 -1.41 0.00 0.00 57.07 55.49 1apq s TYR 55 Cb 0.00 0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 41.25 1apq s TYR 55 CO 0.00 -0.94 0.27 -0.59 -2.51 0.00 0.00 175.55 171.78 1apq s PHE 56 N -3.88 1.63 0.19 -3.49 -0.71 -0.28 -4.95 117.98 106.49 1apq s PHE 56 Ca 0.09 -1.60 -0.06 0.00 -1.04 0.00 0.00 56.93 54.33 1apq s PHE 56 Cb -0.01 -0.65 -0.02 0.00 -1.21 0.00 0.00 43.02 41.12 1apq s PHE 56 CO -0.02 -0.86 0.23 0.00 -1.34 0.00 0.00 175.22 173.23 1apq s SER 58 N -3.06 0.06 0.25 0.00 0.01 0.04 -4.89 113.70 106.10 1apq s SER 58 Ca 0.27 -1.01 -0.06 0.00 1.31 0.00 0.00 55.95 56.46 1apq s SER 58 Cb 0.04 0.74 -0.02 0.00 0.21 0.00 0.00 66.02 67.00 1apq s SER 58 CO 0.07 -1.44 0.34 0.00 0.41 0.00 0.00 173.24 172.62 1apq s ARG 60 N -3.92 2.89 0.59 0.00 1.81 -1.26 -4.89 118.95 114.17 1apq s ARG 60 Ca 0.30 2.02 -0.18 0.00 -1.72 0.00 0.00 55.73 56.15 1apq s ARG 60 Cb 0.02 -2.00 -0.06 0.00 -0.45 0.00 0.00 34.95 32.46 1apq s ARG 60 CO 0.12 -1.32 0.82 -2.30 -0.68 0.00 0.00 175.30 171.94 1apq n PRO 61 N -1.52 0.76 0.00 3.54 -0.02 -1.26 -1.73 135.00 134.77 1apq n PRO 61 Ca 0.13 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1apq n PRO 61 Cb 0.48 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1apq n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1apq n GLY 62 N 1.45 2.90 3.76 -1.23 0.00 -1.26 -5.01 105.19 105.81 1apq n GLY 62 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1apq n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1apq s TYR 63 N -1.11 3.64 -0.16 1.61 1.51 -0.71 -0.61 117.35 121.52 1apq s TYR 63 Ca 0.00 1.08 -0.02 0.00 -1.01 0.00 0.00 57.07 57.12 1apq s TYR 63 Cb 0.00 -2.55 -0.02 0.00 -0.11 0.00 0.00 41.96 39.28 1apq s TYR 63 CO 0.00 0.34 -0.09 -1.21 -1.11 0.00 0.00 175.55 173.48 1apq s GLU 64 N -0.06 3.46 0.36 -0.62 0.41 0.52 -4.77 118.70 118.00 1apq s GLU 64 Ca 0.29 -0.63 -0.27 0.00 -0.41 0.00 0.00 54.97 53.95 1apq s GLU 64 Cb -0.17 -2.79 -0.09 0.00 -1.78 0.00 0.00 34.13 29.30 1apq s GLU 64 CO 0.15 0.13 1.17 -0.51 -0.49 0.00 0.00 175.26 175.71 1apq s LEU 65 N 0.60 4.30 0.00 1.80 1.43 -1.26 -1.80 118.68 123.75 1apq s LEU 65 Ca -0.05 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1apq s LEU 65 Cb -0.15 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.18 1apq s LEU 65 CO 0.03 -0.54 0.00 0.00 0.23 0.00 0.00 176.35 176.07 1apq n GLN 66 N 0.41 0.18 -3.77 1.70 1.13 0.15 -4.81 117.38 112.38 1apq n GLN 66 Ca 0.03 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.75 1apq n GLN 66 Cb 0.45 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.84 1apq n GLN 66 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1apq n GLU 67 N 0.00 -1.17 -1.26 -1.09 4.71 -1.26 -0.21 120.64 120.36 1apq n GLU 67 Ca 0.00 0.39 -0.09 0.00 -0.01 0.00 0.00 57.16 57.45 1apq n GLU 67 Cb 0.00 -3.87 -0.04 0.00 -1.01 0.00 0.00 31.44 26.52 1apq n GLU 67 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1apq n ASP 68 N -2.60 -4.97 -0.49 1.62 8.00 -1.26 -2.23 116.55 114.62 1apq n ASP 68 Ca -0.11 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1apq n ASP 68 Cb 0.59 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.43 1apq n ASP 68 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1apq n ARG 69 N -1.56 0.00 0.00 -1.24 1.85 0.07 -5.02 116.66 110.77 1apq n ARG 69 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 1apq n ARG 69 Cb 0.44 -1.84 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 1apq n ARG 69 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1apq n HIS 70 N -1.49 0.00 -3.71 2.89 8.25 0.71 -4.73 115.22 117.14 1apq n HIS 70 Ca 0.00 -0.03 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 1apq n HIS 70 Cb 0.37 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.36 1apq n HIS 70 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1apq s SER 71 N -0.06 -0.45 0.10 0.41 0.01 -0.72 -0.08 113.70 112.92 1apq s SER 71 Ca 0.00 0.79 0.01 0.00 1.31 0.00 0.00 55.95 58.06 1apq s SER 71 Cb 0.00 0.69 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 1apq s SER 71 CO 0.00 -0.18 0.24 0.00 0.41 0.00 0.00 173.24 173.71 1apq s GLN 73 N -2.81 1.51 -0.27 0.00 -2.07 -0.74 -4.95 119.66 110.32 1apq s GLN 73 Ca 0.35 -1.75 -0.25 0.00 -1.82 0.00 0.00 55.36 51.88 1apq s GLN 73 Cb -0.12 -1.11 0.00 0.00 -1.09 0.00 0.00 33.01 30.69 1apq s GLN 73 CO 0.28 0.05 0.87 0.00 -1.32 0.00 0.00 175.29 175.17 1apq s ALA 74 N -3.04 3.59 0.00 2.60 0.00 -1.26 -0.36 121.76 123.30 1apq s ALA 74 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1apq s ALA 74 Cb 0.03 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1apq s ALA 74 CO 0.11 -1.11 0.00 0.39 0.00 0.00 0.00 175.76 175.15