#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kma s GLN 2 N 0.00 0.35 0.00 -1.08 -2.07 -1.26 -5.00 119.66 110.60 1kma s GLN 2 Ca 0.00 0.51 0.00 0.00 -1.82 0.00 0.00 55.36 54.05 1kma s GLN 2 Cb 0.00 0.12 0.00 0.00 -1.09 0.00 0.00 33.01 32.04 1kma s GLN 2 CO 0.00 -0.06 0.00 0.41 -1.32 0.00 0.00 175.29 174.32 1kma n GLY 3 N 2.89 0.77 0.13 2.60 0.00 -1.26 -4.52 105.19 105.81 1kma n GLY 3 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1kma n GLY 3 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kma h ASN 4 N 0.00 0.33 -0.75 1.61 -0.26 -2.00 -2.35 115.58 112.15 1kma h ASN 4 Ca 0.00 -0.18 0.08 0.00 -0.56 0.00 0.00 56.30 55.64 1kma h ASN 4 Cb 0.00 -0.09 -0.07 0.00 -1.06 0.00 0.00 38.32 37.11 1kma h ASN 4 CO 0.00 0.42 0.41 1.55 -1.06 0.00 0.00 177.43 178.75 1kma h PRO 5 N 0.21 0.69 -2.54 0.81 0.13 -1.86 -3.33 132.00 126.11 1kma h PRO 5 Ca 0.08 -0.04 -0.75 0.00 -0.87 0.00 0.00 66.00 64.41 1kma h PRO 5 Cb 0.20 -0.16 -0.31 0.00 0.13 0.00 0.00 31.00 30.86 1kma h PRO 5 CO -0.00 0.46 0.48 0.00 -0.23 0.00 0.00 178.00 178.71 1kma n GLU 7 N 0.67 0.95 -3.07 0.00 0.00 -1.02 -4.71 120.64 113.47 1kma n GLU 7 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 57.28 1kma n GLU 7 Cb 0.33 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.28 1kma n GLU 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1kma s PRO 9 N -4.48 2.83 -0.06 0.00 0.04 -1.26 -4.94 135.00 127.14 1kma s PRO 9 Ca 0.48 0.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 1kma s PRO 9 Cb -0.10 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1kma s PRO 9 CO 0.36 -1.06 2.51 0.54 0.04 0.00 0.00 177.00 179.39 1kma n ARG 10 N -3.03 1.45 -2.03 4.56 1.74 -1.26 -4.89 116.66 113.19 1kma n ARG 10 Ca 0.07 -0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 56.14 1kma n ARG 10 Cb 0.57 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.57 1kma n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kma s ALA 11 N -0.00 3.65 -0.14 7.54 0.00 -1.26 -4.93 121.76 126.61 1kma s ALA 11 Ca 0.26 1.09 -0.02 0.00 0.00 0.00 0.00 51.96 53.28 1kma s ALA 11 Cb 0.14 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1kma s ALA 11 CO -0.01 -1.05 2.47 1.28 0.00 0.00 0.00 175.76 178.45 1kma n LEU 12 N 5.58 5.77 -3.41 0.00 7.99 -1.26 -4.21 117.00 127.45 1kma n LEU 12 Ca 0.15 -3.04 -0.40 0.00 -0.01 0.00 0.00 56.01 52.72 1kma n LEU 12 Cb 0.42 -1.19 -0.02 0.00 -0.11 0.00 0.00 43.42 42.52 1kma n LEU 12 CO 0.61 1.32 2.92 1.57 -1.51 0.00 0.00 177.39 182.30 1kma n HIS 13 N 1.34 2.55 -1.65 -1.77 -0.00 -0.40 -4.92 115.22 110.37 1kma n HIS 13 Ca 0.24 -2.97 -0.43 0.00 0.46 0.00 0.00 57.72 55.02 1kma n HIS 13 Cb 0.62 -2.20 -0.01 0.00 -0.12 0.00 0.00 29.99 28.28 1kma n HIS 13 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1kma n ARG 14 N 2.89 1.75 -4.05 1.57 5.12 -0.95 -4.01 116.66 118.98 1kma n ARG 14 Ca 0.70 0.61 -0.08 0.00 -1.93 0.00 0.00 57.85 57.16 1kma n ARG 14 Cb 0.25 -2.10 -0.10 0.00 -1.16 0.00 0.00 32.46 29.34 1kma n ARG 14 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1kma s VAL 15 N -1.09 0.18 0.01 1.55 -7.23 0.08 -2.81 120.40 111.10 1kma s VAL 15 Ca 0.57 -1.51 -0.12 0.00 -1.81 0.00 0.00 61.98 59.11 1kma s VAL 15 Cb -0.63 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 1kma s VAL 15 CO 0.61 -0.83 0.37 0.00 -0.31 0.00 0.00 175.10 174.94 1kma s GLY 17 N -1.32 1.66 0.64 0.00 0.00 0.16 -4.43 107.32 104.04 1kma s GLY 17 Ca 0.26 -1.29 0.21 0.00 0.00 0.00 0.00 44.72 43.90 1kma s GLY 17 CO 0.14 -1.12 1.64 1.48 0.00 0.00 0.00 173.10 175.24 1kma h SER 18 N 0.50 0.00 0.60 1.64 4.64 -1.86 0.11 113.55 119.18 1kma h SER 18 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1kma h SER 18 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1kma h SER 18 CO 0.54 0.00 -0.23 -0.67 -0.87 0.00 0.00 176.83 175.59 1kma n ASP 19 N -2.73 0.38 0.00 4.97 2.03 -1.26 -4.88 116.55 115.06 1kma n ASP 19 Ca -0.01 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1kma n ASP 19 Cb 0.54 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 1kma n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kma n GLY 20 N 1.43 0.71 3.56 0.27 0.00 0.37 -5.03 105.19 106.50 1kma n GLY 20 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1kma n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kma s ASN 21 N -2.49 4.60 0.44 1.61 4.22 -1.20 -4.45 114.94 117.66 1kma s ASN 21 Ca 0.00 -0.01 -0.25 0.00 -2.14 0.00 0.00 52.86 50.47 1kma s ASN 21 Cb 0.00 -2.54 -0.08 0.00 1.28 0.00 0.00 41.25 39.91 1kma s ASN 21 CO 0.00 -3.12 1.27 -0.89 -2.04 0.00 0.00 177.10 172.32 1kma s THR 22 N 11.96 2.67 0.22 0.54 2.01 -1.26 -0.67 115.64 131.10 1kma s THR 22 Ca 0.82 0.56 0.10 0.00 0.31 0.00 0.00 61.69 63.48 1kma s THR 22 Cb -0.11 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1kma s THR 22 CO 0.09 0.05 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.58 1kma s TYR 23 N -1.33 2.03 0.45 4.92 1.51 0.13 -4.88 117.35 120.17 1kma s TYR 23 Ca 0.60 -0.43 0.13 0.00 -1.01 0.00 0.00 57.07 56.37 1kma s TYR 23 Cb -0.36 -0.95 1.00 0.00 -0.11 0.00 0.00 41.96 41.54 1kma s TYR 23 CO 0.45 0.49 2.02 0.77 -1.11 0.00 0.00 175.55 178.17 1kma h SER 24 N 2.76 0.09 -4.94 2.29 0.02 -1.90 0.27 113.55 112.13 1kma h SER 24 Ca -0.41 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.60 1kma h SER 24 Cb 1.23 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 63.63 1kma h SER 24 CO 0.56 0.20 0.37 0.54 -1.14 0.00 0.00 176.83 177.35 1kma s ASN 25 N -6.97 -0.37 0.34 3.07 2.20 -1.26 -1.28 114.94 110.68 1kma s ASN 25 Ca -0.05 -0.17 0.27 0.00 -0.94 0.00 0.00 52.86 51.97 1kma s ASN 25 Cb 0.16 0.52 1.04 0.00 -2.00 0.00 0.00 41.25 40.97 1kma s ASN 25 CO 0.70 -0.89 1.79 1.55 -2.94 0.00 0.00 177.10 177.31 1kma h PRO 26 N 2.00 0.00 -0.17 3.55 0.13 -1.87 -2.34 132.00 133.29 1kma h PRO 26 Ca -0.26 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 1kma h PRO 26 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1kma h PRO 26 CO 0.31 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.03 1kma h MET 28 N 0.03 1.26 0.04 0.00 2.86 -1.79 0.35 114.93 117.67 1kma h MET 28 Ca 0.04 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1kma h MET 28 Cb 0.49 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1kma h MET 28 CO 0.02 0.83 -0.03 1.25 1.06 0.00 0.00 176.91 180.04 1kma h LEU 29 N 1.30 -0.07 -1.91 1.22 6.46 -1.46 -1.44 115.31 119.41 1kma h LEU 29 Ca 0.37 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 58.17 1kma h LEU 29 Cb -0.09 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1kma h LEU 29 CO -0.10 -0.04 0.13 0.00 -0.62 0.00 0.00 178.44 177.81 1kma h THR 30 N -0.06 0.97 0.00 1.05 1.03 -0.75 0.24 112.91 115.39 1kma h THR 30 Ca -0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1kma h THR 30 Cb 0.05 0.84 0.00 0.00 -1.07 0.00 0.00 68.15 67.97 1kma h THR 30 CO 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 175.52 175.53 1kma h ALA 32 N -1.75 0.28 -0.28 0.00 0.00 -0.49 0.49 119.26 117.51 1kma h ALA 32 Ca 0.00 0.30 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1kma h ALA 32 Cb 0.00 0.94 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1kma h ALA 32 CO 0.00 -0.56 -0.47 -0.22 0.00 0.00 0.00 179.25 177.99 1kma h LYS 33 N -0.01 -0.37 0.00 0.00 3.64 -0.35 0.32 116.57 119.80 1kma h LYS 33 Ca 0.38 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1kma h LYS 33 Cb 0.63 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1kma h LYS 33 CO -0.99 -0.25 -0.05 0.45 -2.27 0.00 0.00 179.45 176.34 1kma h HIS 34 N -0.39 0.00 0.03 1.91 3.86 -0.37 -1.43 115.15 118.76 1kma h HIS 34 Ca 0.05 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.04 1kma h HIS 34 Cb 0.53 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1kma h HIS 34 CO -0.67 0.05 -1.04 1.49 0.86 0.00 0.00 177.93 178.62 1kma h GLU 35 N 0.00 0.06 0.00 2.45 4.81 0.18 -3.45 114.58 118.64 1kma h GLU 35 Ca -0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1kma h GLU 35 Cb 0.46 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1kma h GLU 35 CO 0.01 1.04 0.00 0.41 -0.73 0.00 0.00 179.01 179.73 1kma n GLY 36 N 1.35 0.00 2.47 1.92 0.00 0.93 -4.75 105.19 107.12 1kma n GLY 36 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1kma n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kma n ASN 37 N 0.00 2.57 0.24 1.61 2.85 -0.54 -4.94 115.26 117.05 1kma n ASN 37 Ca 0.00 -3.26 0.17 0.00 -0.11 0.00 0.00 54.58 51.37 1kma n ASN 37 Cb 0.00 -0.62 0.83 0.00 1.24 0.00 0.00 39.78 41.23 1kma n ASN 37 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1kma h PRO 38 N 3.52 0.00 0.00 1.20 0.13 -1.87 -1.04 132.00 133.94 1kma h PRO 38 Ca 0.13 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.13 1kma h PRO 38 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1kma h PRO 38 CO 0.68 0.00 -0.61 0.22 -0.23 0.00 0.00 178.00 178.06 1kma h ASP 39 N 0.00 0.00 -4.14 1.44 3.58 -1.92 -3.46 116.42 111.93 1kma h ASP 39 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 1kma h ASP 39 Cb 0.12 0.00 0.11 0.00 1.72 0.00 0.00 39.33 41.28 1kma h ASP 39 CO 0.00 0.61 0.43 -0.22 -2.88 0.00 0.00 179.24 177.18 1kma s LEU 40 N -6.55 3.54 0.02 2.28 2.96 -0.40 -4.99 118.68 115.55 1kma s LEU 40 Ca 0.03 2.26 -0.14 0.00 -0.22 0.00 0.00 54.13 56.06 1kma s LEU 40 Cb 0.08 -4.58 0.02 0.00 0.50 0.00 0.00 46.19 42.21 1kma s LEU 40 CO 0.76 -1.69 0.31 0.68 -1.32 0.00 0.00 176.35 175.10 1kma s VAL 41 N -1.87 0.07 -1.08 1.68 -7.23 -1.26 -4.97 120.40 105.74 1kma s VAL 41 Ca 0.74 -0.60 -0.22 0.00 -1.81 0.00 0.00 61.98 60.09 1kma s VAL 41 Cb -0.27 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.83 1kma s VAL 41 CO 0.36 -0.33 1.77 -1.58 -0.31 0.00 0.00 175.10 175.02 1kma s GLN 42 N -2.13 3.10 0.11 4.82 2.00 -1.26 -3.94 119.66 122.36 1kma s GLN 42 Ca -0.08 -1.06 -0.29 0.00 -2.00 0.00 0.00 55.36 51.93 1kma s GLN 42 Cb -0.02 -5.28 -0.09 0.00 0.80 0.00 0.00 33.01 28.42 1kma s GLN 42 CO -0.01 -2.99 1.61 -0.39 -0.50 0.00 0.00 175.29 173.01 1kma h VAL 43 N 6.55 0.25 -1.96 1.34 -1.51 -1.93 -3.48 116.25 115.51 1kma h VAL 43 Ca 0.22 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.70 1kma h VAL 43 Cb 0.96 0.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1kma h VAL 43 CO 1.32 0.00 0.06 0.00 -1.23 0.00 0.00 177.57 177.72 1kma n HIS 44 N -5.44 -0.98 0.00 5.19 -0.00 -1.26 -5.10 115.22 107.63 1kma n HIS 44 Ca -0.07 -0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.41 1kma n HIS 44 Cb 0.35 0.12 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 1kma n HIS 44 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1kma n GLU 45 N -0.09 2.91 -1.88 -1.40 0.00 -1.26 -4.55 120.64 114.37 1kma n GLU 45 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1kma n GLU 45 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.53 1kma n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kma n GLY 46 N 3.69 -3.50 3.77 8.31 0.00 -1.24 -2.30 105.19 113.91 1kma n GLY 46 Ca 0.00 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1kma n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kma s PRO 47 N -0.72 4.24 0.01 1.61 0.04 -1.13 -0.53 135.00 138.53 1kma s PRO 47 Ca 0.00 1.68 0.06 0.00 0.04 0.00 0.00 61.00 62.78 1kma s PRO 47 Cb 0.00 -2.73 -0.24 0.00 0.04 0.00 0.00 34.50 31.57 1kma s PRO 47 CO 0.00 -0.11 0.86 0.00 0.04 0.00 0.00 177.00 177.79 1kma s ASP 49 N -6.52 6.63 -0.34 0.00 -4.77 -1.26 -5.06 116.67 105.35 1kma s ASP 49 Ca -0.05 1.90 0.05 0.00 -3.30 0.00 0.00 52.55 51.16 1kma s ASP 49 Cb 0.08 -2.56 0.18 0.00 -1.09 0.00 0.00 42.92 39.53 1kma s ASP 49 CO 0.83 -0.58 0.53 -0.70 0.70 0.00 0.00 175.17 175.95 1kma s GLU 50 N -2.96 0.62 -0.30 2.11 2.12 -1.26 -5.12 118.70 113.91 1kma s GLU 50 Ca 0.63 -0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.84 1kma s GLU 50 Cb -0.16 -0.07 0.15 0.00 0.26 0.00 0.00 34.13 34.31 1kma s GLU 50 CO 0.21 -1.11 0.77 -1.58 -0.54 0.00 0.00 175.26 173.00 1kma s HIS 51 N 2.25 -1.14 0.80 5.30 2.46 -1.26 -5.16 115.29 118.53 1kma s HIS 51 Ca 0.13 1.79 -0.14 0.00 0.47 0.00 0.00 55.06 57.31 1kma s HIS 51 Cb -0.09 0.62 0.08 0.00 -0.13 0.00 0.00 32.58 33.05 1kma s HIS 51 CO -0.18 -0.58 1.22 -0.25 -2.47 0.00 0.00 174.74 172.48 1kma n ASP 52 N 5.31 1.15 -2.72 9.88 9.92 -1.26 -5.00 116.55 133.82 1kma n ASP 52 Ca -0.09 0.61 -0.09 0.00 -0.53 0.00 0.00 54.79 54.69 1kma n ASP 52 Cb 0.51 -1.52 0.08 0.00 -0.64 0.00 0.00 41.12 39.55 1kma n ASP 52 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1kma n HIS 53 N -3.19 -1.06 0.28 1.24 -0.00 -1.26 -5.00 115.22 106.23 1kma n HIS 53 Ca 0.14 -2.37 -0.13 0.00 0.46 0.00 0.00 57.72 55.82 1kma n HIS 53 Cb 0.50 0.78 -0.06 0.00 -0.12 0.00 0.00 29.99 31.08 1kma n HIS 53 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1kma h ASP 54 N 2.51 -0.80 -0.02 0.26 1.82 -2.09 -3.58 116.42 114.52 1kma h ASP 54 Ca -0.17 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1kma h ASP 54 Cb 1.22 0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.46 1kma h ASP 54 CO 0.19 -0.49 0.00 0.49 -1.61 0.00 0.00 179.24 177.82