#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kys s GLN 53 N 0.00 4.19 -0.06 1.57 0.74 -1.26 -5.07 119.66 119.77 3kys s GLN 53 Ca 0.00 0.32 -0.17 0.00 0.05 0.00 0.00 55.36 55.55 3kys s GLN 53 Cb 0.00 -3.54 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 3kys s GLN 53 CO 0.00 -0.08 0.47 0.42 -0.55 0.00 0.00 175.29 175.55 3kys s ILE 54 N 1.44 5.08 -0.06 -2.34 1.09 -1.26 -5.08 121.20 120.06 3kys s ILE 54 Ca 0.22 0.97 0.01 0.00 -1.10 0.00 0.00 60.65 60.74 3kys s ILE 54 Cb -0.15 -3.80 0.02 0.00 -1.06 0.00 0.00 42.46 37.47 3kys s ILE 54 CO 0.09 0.43 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.60 3kys s VAL 55 N -0.08 0.74 -0.36 2.92 1.01 -1.26 -5.11 120.40 118.26 3kys s VAL 55 Ca 0.26 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3kys s VAL 55 Cb -0.16 -0.75 0.10 0.00 0.00 0.00 0.00 36.38 35.56 3kys s VAL 55 CO 0.12 0.28 0.10 -1.00 0.00 0.00 0.00 175.10 174.61 3kys s HIS 56 N 1.10 3.62 -0.32 5.22 3.76 -1.26 -5.07 115.29 122.34 3kys s HIS 56 Ca -0.08 -2.61 -0.04 0.00 -0.15 0.00 0.00 55.06 52.18 3kys s HIS 56 Cb -0.14 -2.91 0.04 0.00 1.11 0.00 0.00 32.58 30.68 3kys s HIS 56 CO -0.01 -0.94 0.05 0.14 -0.85 0.00 0.00 174.74 173.13 3kys s VAL 57 N 1.05 3.43 0.78 -0.90 -7.23 -1.26 -5.10 120.40 111.18 3kys s VAL 57 Ca 0.07 -1.20 -0.13 0.00 -1.81 0.00 0.00 61.98 58.91 3kys s VAL 57 Cb -0.21 -2.94 0.07 0.00 0.56 0.00 0.00 36.38 33.87 3kys s VAL 57 CO -0.06 -0.12 1.17 0.00 -0.31 0.00 0.00 175.10 175.79 3kys s ARG 58 N 1.34 1.87 0.18 4.82 1.70 -1.26 -4.92 118.95 122.68 3kys s ARG 58 Ca -0.03 1.61 -0.17 0.00 -0.47 0.00 0.00 55.73 56.67 3kys s ARG 58 Cb -0.19 -1.82 0.13 0.00 -0.57 0.00 0.00 34.95 32.49 3kys s ARG 58 CO 0.01 -2.01 1.64 0.78 -1.08 0.00 0.00 175.30 174.64 3kys h GLY 59 N -0.83 0.20 -3.88 3.88 0.00 -2.07 -2.92 103.07 97.46 3kys h GLY 59 Ca -0.46 0.22 -0.27 0.00 0.00 0.00 0.00 47.33 46.82 3kys h GLY 59 CO 0.48 -0.20 0.06 2.09 0.00 0.00 0.00 176.54 178.97 3kys n ASP 60 N -5.37 5.85 0.01 0.19 5.75 -1.26 -4.63 116.55 117.08 3kys n ASP 60 Ca 0.03 -2.79 -0.00 0.00 -0.01 0.00 0.00 54.79 52.02 3kys n ASP 60 Cb 0.28 -1.25 -0.00 0.00 -1.03 0.00 0.00 41.12 39.12 3kys n ASP 60 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3kys h SER 61 N 2.36 -0.01 -0.87 -1.12 0.02 -1.88 0.54 113.55 112.58 3kys h SER 61 Ca 0.23 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.30 3kys h SER 61 Cb 1.08 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.56 3kys h SER 61 CO 0.48 -0.01 0.56 1.05 -1.14 0.00 0.00 176.83 177.77 3kys h GLU 62 N -0.01 0.74 -0.31 3.45 9.09 -1.90 0.27 114.58 125.90 3kys h GLU 62 Ca -0.00 -0.04 0.04 0.00 0.05 0.00 0.00 59.36 59.40 3kys h GLU 62 Cb 0.01 -0.17 -0.03 0.00 -1.65 0.00 0.00 28.75 26.91 3kys h GLU 62 CO 0.00 0.49 0.11 1.15 0.05 0.00 0.00 179.01 180.81 3kys h THR 63 N 0.76 0.91 -0.58 -1.06 2.02 -1.90 -1.71 112.91 111.35 3kys h THR 63 Ca 0.42 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.48 3kys h THR 63 Cb 0.56 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3kys h THR 63 CO -0.18 0.04 0.19 -0.78 0.37 0.00 0.00 175.52 175.16 3kys h ASP 64 N 0.24 0.79 -0.08 4.18 -0.00 0.18 -1.23 116.42 120.51 3kys h ASP 64 Ca 0.14 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.03 57.04 3kys h ASP 64 Cb 0.11 -0.21 -0.00 0.00 -0.00 0.00 0.00 39.33 39.23 3kys h ASP 64 CO -0.15 0.74 0.02 0.25 -0.00 0.00 0.00 179.24 180.10 3kys h LEU 65 N 0.84 0.12 -1.57 2.28 6.46 -0.70 -1.77 115.31 120.96 3kys h LEU 65 Ca 0.19 -0.25 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 3kys h LEU 65 Cb 0.23 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 3kys h LEU 65 CO -0.01 0.33 0.29 -0.33 -0.62 0.00 0.00 178.44 178.10 3kys h GLU 66 N -0.10 0.57 -0.22 1.25 5.08 -1.09 -1.88 114.58 118.19 3kys h GLU 66 Ca 0.02 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3kys h GLU 66 Cb 0.26 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3kys h GLU 66 CO 0.00 0.38 -0.33 0.00 -1.00 0.00 0.00 179.01 178.06 3kys h ALA 67 N 1.73 1.02 -0.14 3.43 0.00 -0.88 -0.51 119.26 123.91 3kys h ALA 67 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3kys h ALA 67 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kys h ALA 67 CO -0.04 0.59 0.05 1.25 0.00 0.00 0.00 179.25 181.10 3kys h LEU 68 N 0.39 0.17 0.00 0.00 5.85 -0.49 -2.03 115.31 119.20 3kys h LEU 68 Ca 0.05 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 3kys h LEU 68 Cb 0.77 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3kys h LEU 68 CO 0.06 0.17 -1.08 0.49 -0.34 0.00 0.00 178.44 177.74 3kys n PHE 69 N -4.47 0.98 1.18 1.25 3.72 -0.75 -4.10 117.46 115.27 3kys n PHE 69 Ca -0.01 0.43 0.10 0.00 -0.05 0.00 0.00 57.45 57.92 3kys n PHE 69 Cb 0.12 -1.01 0.57 0.00 -0.94 0.00 0.00 39.48 38.22 3kys n PHE 69 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3kys n ASN 70 N -4.48 0.00 0.12 4.37 0.23 -0.27 -0.41 115.26 114.82 3kys n ASN 70 Ca -0.26 -0.45 0.12 0.00 -0.53 0.00 0.00 54.58 53.46 3kys n ASN 70 Cb 0.57 -0.08 0.47 0.00 -2.08 0.00 0.00 39.78 38.66 3kys n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kys n ALA 71 N -1.08 1.73 -0.02 -2.53 0.00 -0.76 -2.08 120.51 115.76 3kys n ALA 71 Ca 0.14 0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.61 3kys n ALA 71 Cb 0.10 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 3kys n ALA 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kys n VAL 72 N -2.20 0.25 1.07 0.00 0.31 0.46 -4.15 118.33 114.06 3kys n VAL 72 Ca 0.03 -0.10 0.13 0.00 -0.01 0.00 0.00 64.34 64.38 3kys n VAL 72 Cb 0.25 -0.69 0.60 0.00 -0.91 0.00 0.00 33.84 33.09 3kys n VAL 72 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3kys n MET 73 N -2.55 0.20 -2.68 5.55 2.00 -0.27 -4.37 117.12 114.99 3kys n MET 73 Ca -0.07 0.05 -0.04 0.00 0.00 0.00 0.00 57.70 57.64 3kys n MET 73 Cb 0.59 -1.50 0.04 0.00 0.00 0.00 0.00 33.22 32.34 3kys n MET 73 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 3kys n ASN 74 N -1.39 -1.69 -0.27 7.83 6.94 -0.89 -5.00 115.26 120.79 3kys n ASN 74 Ca 0.09 -1.33 -0.06 0.00 -0.02 0.00 0.00 54.58 53.27 3kys n ASN 74 Cb 0.25 0.87 0.06 0.00 -2.36 0.00 0.00 39.78 38.60 3kys n ASN 74 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 3kys h PRO 75 N 4.14 1.17 0.00 -0.53 0.11 -1.72 -1.60 132.00 133.56 3kys h PRO 75 Ca -0.03 -0.24 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kys h PRO 75 Cb 1.16 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3kys h PRO 75 CO -0.10 0.98 -0.02 0.87 -0.21 0.00 0.00 178.00 179.52 3kys h LYS 76 N 1.13 0.00 0.00 1.05 1.79 -1.92 -3.15 116.57 115.47 3kys h LYS 76 Ca 0.25 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.32 3kys h LYS 76 Cb 0.28 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.86 3kys h LYS 76 CO -0.01 0.02 -2.48 2.41 -1.08 0.00 0.00 179.45 178.30 3kys n THR 77 N -3.17 1.49 -2.14 -0.16 -1.04 -0.91 -4.96 114.28 103.39 3kys n THR 77 Ca -0.01 -0.55 -0.39 0.00 -2.04 0.00 0.00 64.05 61.05 3kys n THR 77 Cb 0.20 -1.46 -0.01 0.00 -1.82 0.00 0.00 70.33 67.23 3kys n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kys s ALA 78 N -2.52 3.29 -0.78 2.41 0.00 -0.65 -4.95 121.76 118.56 3kys s ALA 78 Ca -0.35 1.16 0.01 0.00 0.00 0.00 0.00 51.96 52.77 3kys s ALA 78 Cb 0.10 -3.45 0.36 0.00 0.00 0.00 0.00 23.12 20.12 3kys s ALA 78 CO 0.59 -0.69 1.66 -1.71 0.00 0.00 0.00 175.76 175.61 3kys n ASN 79 N 0.29 6.54 -4.93 0.00 5.15 -1.26 -4.92 115.26 116.14 3kys n ASN 79 Ca 0.03 -3.76 -0.28 0.00 -0.60 0.00 0.00 54.58 49.97 3kys n ASN 79 Cb 0.44 -0.91 -0.03 0.00 -0.53 0.00 0.00 39.78 38.75 3kys n ASN 79 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3kys s VAL 80 N -4.92 5.25 0.63 3.44 -7.23 -1.26 -5.07 120.40 111.25 3kys s VAL 80 Ca 0.48 -0.39 -0.17 0.00 -1.81 0.00 0.00 61.98 60.08 3kys s VAL 80 Cb 0.35 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.53 3kys s VAL 80 CO -0.27 -0.09 0.77 -2.65 -0.31 0.00 0.00 175.10 172.55 3kys n PRO 81 N -0.42 0.62 -4.31 4.82 -0.02 -1.26 -5.01 135.00 129.42 3kys n PRO 81 Ca -0.05 0.25 -0.32 0.00 -2.02 0.00 0.00 63.50 61.37 3kys n PRO 81 Cb 0.53 -1.99 -0.09 0.00 -0.02 0.00 0.00 33.50 31.93 3kys n PRO 81 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3kys s GLN 82 N -2.67 2.58 0.22 -0.52 2.00 -1.26 -5.13 119.66 114.89 3kys s GLN 82 Ca 0.72 -0.75 0.00 0.00 -2.00 0.00 0.00 55.36 53.34 3kys s GLN 82 Cb -0.40 -2.54 -0.05 0.00 0.80 0.00 0.00 33.01 30.82 3kys s GLN 82 CO 0.51 0.59 0.10 0.95 -0.50 0.00 0.00 175.29 176.94 3kys s THR 83 N -1.12 0.32 -0.38 -0.34 -4.23 -1.26 -5.13 115.64 103.51 3kys s THR 83 Ca 0.20 -1.99 -0.20 0.00 -1.18 0.00 0.00 61.69 58.52 3kys s THR 83 Cb -0.11 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.21 3kys s THR 83 CO 0.11 -0.05 0.62 -0.69 -0.54 0.00 0.00 174.62 174.07 3kys s VAL 84 N -3.92 4.89 0.28 2.29 1.01 -1.26 -5.03 120.40 118.66 3kys s VAL 84 Ca 0.37 0.40 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 3kys s VAL 84 Cb 0.07 -4.09 -0.14 0.00 0.00 0.00 0.00 36.38 32.22 3kys s VAL 84 CO 0.12 -0.38 1.03 -2.65 0.00 0.00 0.00 175.10 173.21 3kys n PRO 85 N 6.05 1.34 0.23 2.72 -0.02 -1.26 -4.79 135.00 139.26 3kys n PRO 85 Ca -0.02 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 3kys n PRO 85 Cb 0.48 -1.85 0.76 0.00 -0.02 0.00 0.00 33.50 32.87 3kys n PRO 85 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3kys h MET 86 N 2.16 0.00 0.00 -0.52 2.86 -1.96 -1.18 114.93 116.28 3kys h MET 86 Ca -0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3kys h MET 86 Cb 1.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 3kys h MET 86 CO 0.62 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.59 3kys h ARG 87 N 0.00 0.00 0.00 1.72 3.08 -2.01 -2.72 114.38 114.45 3kys h ARG 87 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3kys h ARG 87 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kys h ARG 87 CO -0.00 0.00 -1.26 1.28 -1.07 0.00 0.00 179.97 178.92 3kys n LEU 88 N -3.05 0.64 -4.72 3.04 4.77 -0.46 -4.96 117.00 112.26 3kys n LEU 88 Ca -0.01 -0.34 -0.29 0.00 -0.03 0.00 0.00 56.01 55.35 3kys n LEU 88 Cb 0.22 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.48 3kys n LEU 88 CO 0.24 0.16 0.67 -0.13 -1.33 0.00 0.00 177.39 177.01 3kys s ARG 89 N -3.05 0.62 -1.15 3.23 0.52 -1.03 -4.95 118.95 113.13 3kys s ARG 89 Ca 0.03 0.36 -0.16 0.00 -0.52 0.00 0.00 55.73 55.44 3kys s ARG 89 Cb 0.14 -1.77 0.14 0.00 0.52 0.00 0.00 34.95 33.98 3kys s ARG 89 CO 0.83 -2.57 1.42 0.15 0.02 0.00 0.00 175.30 175.15 3kys s LYS 90 N -5.14 3.95 0.18 3.54 1.02 -1.26 -4.96 119.74 117.07 3kys s LYS 90 Ca 0.65 -2.25 0.10 0.00 0.02 0.00 0.00 55.97 54.48 3kys s LYS 90 Cb -0.16 -5.12 -0.04 0.00 -0.52 0.00 0.00 37.83 31.99 3kys s LYS 90 CO 0.56 -1.86 -0.20 -0.51 -0.92 0.00 0.00 175.35 172.42 3kys s LEU 91 N 2.37 2.45 0.79 3.17 1.43 -1.26 -5.13 118.68 122.50 3kys s LEU 91 Ca 0.42 -0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 3kys s LEU 91 Cb -0.02 -0.94 0.03 0.00 0.03 0.00 0.00 46.19 45.29 3kys s LEU 91 CO -0.01 0.01 0.89 -2.65 0.23 0.00 0.00 176.35 174.81 3kys n PRO 92 N 0.18 0.23 0.10 1.29 -0.02 -1.26 -4.89 135.00 130.62 3kys n PRO 92 Ca -0.12 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3kys n PRO 92 Cb 0.57 -2.17 0.31 0.00 -0.02 0.00 0.00 33.50 32.19 3kys n PRO 92 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kys h ASP 93 N -0.71 0.25 -0.78 2.55 3.45 -2.01 -2.78 116.42 116.40 3kys h ASP 93 Ca -0.46 -0.08 0.13 0.00 0.43 0.00 0.00 57.03 57.05 3kys h ASP 93 Cb 1.32 -0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 39.96 3kys h ASP 93 CO 0.44 0.51 0.51 0.77 -1.57 0.00 0.00 179.24 179.90 3kys h SER 94 N 0.23 0.53 0.00 6.45 4.64 -1.90 -2.60 113.55 120.90 3kys h SER 94 Ca 0.04 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kys h SER 94 Cb 0.58 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kys h SER 94 CO 0.04 0.29 0.55 0.15 -0.87 0.00 0.00 176.83 176.99 3kys h PHE 95 N 0.57 0.00 0.00 4.77 3.04 -1.85 -0.54 116.94 122.93 3kys h PHE 95 Ca 0.38 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.33 3kys h PHE 95 Cb 0.67 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.18 3kys h PHE 95 CO -0.00 0.00 0.00 1.19 -2.02 0.00 0.00 178.31 177.48 3kys n PHE 96 N -2.41 0.00 -3.95 0.41 3.72 -0.98 -4.90 117.46 109.35 3kys n PHE 96 Ca -0.01 -0.01 -0.33 0.00 -0.05 0.00 0.00 57.45 57.05 3kys n PHE 96 Cb 0.57 -0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.97 3kys n PHE 96 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 3kys s LYS 97 N -0.03 1.77 0.59 -1.08 -2.85 -0.21 -5.11 119.74 112.82 3kys s LYS 97 Ca 0.00 -1.76 -0.20 0.00 -1.00 0.00 0.00 55.97 53.01 3kys s LYS 97 Cb 0.00 -3.28 -0.04 0.00 -2.06 0.00 0.00 37.83 32.46 3kys s LYS 97 CO 0.00 -0.92 1.30 -2.30 0.10 0.00 0.00 175.35 173.53 3kys n PRO 98 N 4.39 1.40 -1.68 1.78 -0.02 -1.26 -4.80 135.00 134.82 3kys n PRO 98 Ca -0.01 0.53 -0.44 0.00 -2.02 0.00 0.00 63.50 61.56 3kys n PRO 98 Cb 0.42 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 3kys n PRO 98 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kys n PRO 99 N -1.33 2.03 0.00 0.52 -0.02 -1.26 -5.18 135.00 129.76 3kys n PRO 99 Ca 0.13 0.72 0.02 0.00 -2.02 0.00 0.00 63.50 62.35 3kys n PRO 99 Cb 0.46 -2.34 0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3kys n PRO 99 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87