#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kma n GLN 2 N 0.00 0.00 0.02 -1.08 10.64 -1.26 -4.95 117.38 120.75 1kma n GLN 2 Ca 0.00 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.28 1kma n GLN 2 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 1kma n GLN 2 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1kma n GLY 3 N -1.31 -1.13 0.14 2.61 0.00 -1.26 -2.57 105.19 101.67 1kma n GLY 3 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.20 0.17 1.61 2.35 -2.01 -3.39 115.58 114.11 1kma h ASN 4 Ca 0.00 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1kma h ASN 4 Cb 0.73 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1kma h ASN 4 CO 0.00 0.36 -0.08 1.55 -1.65 0.00 0.00 177.43 177.61 1kma h PRO 5 N -0.90 -0.22 -5.78 0.81 0.13 -1.86 -3.44 132.00 120.75 1kma h PRO 5 Ca -0.02 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 1kma h PRO 5 Cb 0.51 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 31.60 1kma h PRO 5 CO 0.04 0.21 0.18 0.00 -0.23 0.00 0.00 178.00 178.20 1kma n GLU 7 N 4.92 0.00 -3.90 0.00 -0.00 -1.26 -4.35 120.64 116.05 1kma n GLU 7 Ca 0.00 -0.47 -0.22 0.00 -0.00 0.00 0.00 57.16 56.47 1kma n GLU 7 Cb 0.50 0.48 -0.04 0.00 -0.00 0.00 0.00 31.44 32.37 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 -3.95 0.06 0.00 0.00 0.04 -1.26 -4.90 135.00 124.99 1kma s PRO 9 Ca 0.40 0.21 -0.03 0.00 0.04 0.00 0.00 61.00 61.61 1kma s PRO 9 Cb -0.05 -1.72 -0.15 0.00 0.04 0.00 0.00 34.50 32.62 1kma s PRO 9 CO 0.25 -2.92 2.78 0.54 0.04 0.00 0.00 177.00 177.69 1kma n ARG 10 N -4.25 1.48 -1.96 4.56 1.74 -1.26 -4.90 116.66 112.07 1kma n ARG 10 Ca 0.08 -0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 56.17 1kma n ARG 10 Cb 0.59 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.38 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 0.82 3.66 -0.10 7.54 0.00 -1.26 -4.90 121.76 127.52 1kma s ALA 11 Ca 0.38 1.13 -0.05 0.00 0.00 0.00 0.00 51.96 53.42 1kma s ALA 11 Cb 0.18 -3.70 -0.19 0.00 0.00 0.00 0.00 23.12 19.41 1kma s ALA 11 CO 0.00 -1.16 3.40 1.28 0.00 0.00 0.00 175.76 179.28 1kma n LEU 12 N 5.95 5.51 -3.18 0.00 7.99 -1.26 -4.30 117.00 127.71 1kma n LEU 12 Ca 0.16 -3.35 -0.36 0.00 -0.01 0.00 0.00 56.01 52.45 1kma n LEU 12 Cb 0.41 -1.37 -0.04 0.00 -0.11 0.00 0.00 43.42 42.31 1kma n LEU 12 CO 0.62 1.69 3.22 1.41 -1.51 0.00 0.00 177.39 182.82 1kma n HIS 13 N 2.12 2.17 -1.68 -1.77 8.25 -0.86 -4.94 115.22 118.52 1kma n HIS 13 Ca 0.43 -2.93 -0.56 0.00 -0.26 0.00 0.00 57.72 54.40 1kma n HIS 13 Cb 0.83 -2.40 -0.07 0.00 1.12 0.00 0.00 29.99 29.48 1kma n HIS 13 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1kma n ARG 14 N 3.44 1.15 -4.41 -0.41 5.12 -0.97 -3.58 116.66 116.99 1kma n ARG 14 Ca 0.75 0.42 -0.23 0.00 -1.93 0.00 0.00 57.85 56.86 1kma n ARG 14 Cb 0.30 -2.09 -0.08 0.00 -1.16 0.00 0.00 32.46 29.43 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 2.69 0.34 0.03 1.55 -7.23 0.12 -2.47 120.40 115.43 1kma s VAL 15 Ca 0.94 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 59.16 1kma s VAL 15 Cb -1.04 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 33.48 1kma s VAL 15 CO 0.60 0.00 -0.14 0.00 -0.31 0.00 0.00 175.10 175.25 1kma s GLY 17 N -0.92 1.83 0.61 0.00 0.00 -0.09 -4.16 107.32 104.59 1kma s GLY 17 Ca 0.03 -1.41 0.29 0.00 0.00 0.00 0.00 44.72 43.62 1kma s GLY 17 CO 0.01 -1.10 1.93 1.48 0.00 0.00 0.00 173.10 175.41 1kma h SER 18 N 0.05 0.00 -0.01 1.64 4.64 -1.89 0.26 113.55 118.24 1kma h SER 18 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1kma h SER 18 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1kma h SER 18 CO 0.50 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.93 1kma n ASP 19 N -3.55 0.64 0.00 4.97 8.00 -1.26 -4.90 116.55 120.45 1kma n ASP 19 Ca 0.05 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1kma n ASP 19 Cb 0.56 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1kma n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kma n GLY 20 N 1.07 2.16 3.59 0.44 0.00 0.93 -4.96 105.19 108.42 1kma n GLY 20 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1kma n GLY 20 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kma s ASN 21 N -3.51 5.47 0.49 1.61 3.84 -1.25 -4.52 114.94 117.06 1kma s ASN 21 Ca 0.00 1.34 -0.23 0.00 0.21 0.00 0.00 52.86 54.19 1kma s ASN 21 Cb 0.00 -2.52 -0.06 0.00 -0.55 0.00 0.00 41.25 38.12 1kma s ASN 21 CO 0.00 -2.04 1.24 -0.89 -2.79 0.00 0.00 177.10 172.62 1kma s THR 22 N 8.37 2.71 -0.02 -5.21 2.01 -1.26 -0.92 115.64 121.33 1kma s THR 22 Ca 0.87 0.54 0.06 0.00 0.31 0.00 0.00 61.69 63.48 1kma s THR 22 Cb -0.24 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 1kma s THR 22 CO 0.31 -0.00 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.72 1kma s TYR 23 N -1.45 1.88 0.51 4.92 2.02 0.73 -4.92 117.35 121.04 1kma s TYR 23 Ca 0.66 -0.36 0.36 0.00 -0.37 0.00 0.00 57.07 57.36 1kma s TYR 23 Cb -0.33 -1.21 1.50 0.00 -0.40 0.00 0.00 41.96 41.52 1kma s TYR 23 CO 0.40 -0.03 1.72 1.03 -1.57 0.00 0.00 175.55 177.09 1kma h SER 24 N 5.63 0.11 -4.73 2.29 0.87 -1.87 0.37 113.55 116.23 1kma h SER 24 Ca -0.39 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.22 1kma h SER 24 Cb 1.14 0.02 -0.17 0.00 -0.44 0.00 0.00 62.40 62.95 1kma h SER 24 CO 0.48 -0.02 0.34 0.54 -0.53 0.00 0.00 176.83 177.64 1kma s ASN 25 N -4.78 -0.51 0.38 6.23 2.20 -1.24 -2.02 114.94 115.20 1kma s ASN 25 Ca -0.06 0.31 0.20 0.00 -0.94 0.00 0.00 52.86 52.37 1kma s ASN 25 Cb 0.25 0.47 0.56 0.00 -2.00 0.00 0.00 41.25 40.54 1kma s ASN 25 CO 0.83 -0.64 1.67 1.55 -2.94 0.00 0.00 177.10 177.57 1kma h PRO 26 N 2.44 0.00 0.00 3.55 0.13 -1.84 -3.00 132.00 133.27 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 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1kma h PRO 26 CO 0.35 0.33 -0.19 0.00 -0.23 0.00 0.00 178.00 178.26 1kma h MET 28 N 0.00 0.43 0.18 0.00 2.86 -1.91 -3.17 114.93 113.31 1kma h MET 28 Ca -0.00 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 1kma h MET 28 Cb 0.39 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1kma h MET 28 CO 0.03 1.11 -0.14 1.25 1.06 0.00 0.00 176.91 180.22 1kma h LEU 29 N 0.25 -0.36 -1.27 1.22 6.46 -1.34 -1.37 115.31 118.90 1kma h LEU 29 Ca -0.08 0.02 0.23 0.00 -0.12 0.00 0.00 57.88 57.94 1kma h LEU 29 Cb 1.56 0.11 -0.09 0.00 -0.73 0.00 0.00 40.66 41.51 1kma h LEU 29 CO 0.16 -0.19 0.63 0.00 -0.62 0.00 0.00 178.44 178.42 1kma h THR 30 N -0.30 0.61 0.00 1.05 1.03 -1.64 0.14 112.91 113.81 1kma h THR 30 Ca -0.02 -0.18 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1kma h THR 30 Cb 0.25 0.05 0.00 0.00 -1.07 0.00 0.00 68.15 67.38 1kma h THR 30 CO 0.01 0.09 0.00 0.00 -0.01 0.00 0.00 175.52 175.61 1kma h ALA 32 N -1.67 0.46 -0.15 0.00 0.00 -0.02 0.48 119.26 118.36 1kma h ALA 32 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1kma h ALA 32 Cb 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1kma h ALA 32 CO 0.00 -0.46 -0.21 -0.22 0.00 0.00 0.00 179.25 178.36 1kma h LYS 33 N -0.01 -0.15 0.00 0.00 3.64 -0.53 0.80 116.57 120.32 1kma h LYS 33 Ca 0.40 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1kma h LYS 33 Cb 0.64 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1kma h LYS 33 CO -0.92 -0.10 0.00 0.45 -2.27 0.00 0.00 179.45 176.61 1kma h HIS 34 N -0.15 0.00 0.08 1.91 3.86 0.06 -1.57 115.15 119.34 1kma h HIS 34 Ca 0.03 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1kma h HIS 34 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1kma h HIS 34 CO -0.64 0.00 -0.04 1.49 0.86 0.00 0.00 177.93 179.60 1kma h GLU 35 N 0.00 -0.11 0.00 2.45 4.22 0.95 -3.46 114.58 118.62 1kma h GLU 35 Ca 0.00 0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.33 1kma h GLU 35 Cb 0.17 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.34 1kma h GLU 35 CO 0.00 -0.07 -0.18 0.41 -2.18 0.00 0.00 179.01 176.99 1kma n GLY 36 N 0.98 1.03 2.27 1.92 0.00 0.16 -4.81 105.19 106.75 1kma n GLY 36 Ca -0.01 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.03 1.19 0.00 1.61 5.15 -0.55 -4.93 115.26 116.70 1kma n ASN 37 Ca -0.12 -3.07 0.02 0.00 -0.60 0.00 0.00 54.58 50.81 1kma n ASN 37 Cb 0.75 -0.61 0.10 0.00 -0.53 0.00 0.00 39.78 39.49 1kma n ASN 37 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1kma n PRO 38 N 0.22 0.02 0.04 1.20 -0.04 -1.22 -1.28 135.00 133.94 1kma n PRO 38 Ca 0.25 0.37 0.02 0.00 -0.04 0.00 0.00 63.50 64.11 1kma n PRO 38 Cb 0.64 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 1kma n PRO 38 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1kma n ASP 39 N -1.43 0.83 -4.76 3.54 -0.08 -1.26 -4.91 116.55 108.47 1kma n ASP 39 Ca 0.01 0.35 -0.36 0.00 -1.51 0.00 0.00 54.79 53.29 1kma n ASP 39 Cb 0.05 0.27 0.03 0.00 2.34 0.00 0.00 41.12 43.80 1kma n ASP 39 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1kma s LEU 40 N -5.66 3.66 0.01 -2.67 2.96 -0.40 -4.97 118.68 111.62 1kma s LEU 40 Ca -0.03 2.32 -0.14 0.00 -0.22 0.00 0.00 54.13 56.07 1kma s LEU 40 Cb 0.09 -4.59 0.02 0.00 0.50 0.00 0.00 46.19 42.21 1kma s LEU 40 CO 0.81 -1.53 0.29 0.68 -1.32 0.00 0.00 176.35 175.28 1kma s VAL 41 N -1.67 0.07 -1.18 1.68 -7.23 -1.26 -4.96 120.40 105.85 1kma s VAL 41 Ca 0.76 -0.59 -0.20 0.00 -1.81 0.00 0.00 61.98 60.13 1kma s VAL 41 Cb -0.28 -0.74 0.04 0.00 0.56 0.00 0.00 36.38 35.95 1kma s VAL 41 CO 0.32 -0.33 1.69 -1.58 -0.31 0.00 0.00 175.10 174.89 1kma s GLN 42 N -1.86 3.62 0.18 4.82 2.00 -1.26 -3.57 119.66 123.57 1kma s GLN 42 Ca -0.10 -1.54 -0.14 0.00 -2.00 0.00 0.00 55.36 51.58 1kma s GLN 42 Cb -0.03 -5.42 0.12 0.00 0.80 0.00 0.00 33.01 28.47 1kma s GLN 42 CO 0.01 -2.51 1.78 -0.39 -0.50 0.00 0.00 175.29 173.68 1kma h VAL 43 N 6.11 0.94 -2.32 1.34 -1.51 -1.90 -3.46 116.25 115.45 1kma h VAL 43 Ca 0.33 -0.15 0.05 0.00 -1.23 0.00 0.00 66.70 65.69 1kma h VAL 43 Cb 0.93 0.45 -0.16 0.00 -2.13 0.00 0.00 31.29 30.38 1kma h VAL 43 CO 1.41 0.08 0.38 -1.38 -1.23 0.00 0.00 177.57 176.83 1kma s HIS 44 N -6.14 -0.45 -0.86 5.19 0.00 -1.26 -5.06 115.29 106.71 1kma s HIS 44 Ca -0.13 0.44 -0.06 0.00 -3.00 0.00 0.00 55.06 52.32 1kma s HIS 44 Cb 0.13 0.51 0.02 0.00 -4.00 0.00 0.00 32.58 29.24 1kma s HIS 44 CO 0.73 -0.60 2.77 -1.91 -1.00 0.00 0.00 174.74 174.73 1kma n GLU 45 N 0.04 3.33 -3.64 -0.38 2.13 -1.26 -3.90 120.64 116.95 1kma n GLU 45 Ca -0.13 -2.56 -0.16 0.00 0.66 0.00 0.00 57.16 54.98 1kma n GLU 45 Cb 0.61 -2.39 -0.07 0.00 0.27 0.00 0.00 31.44 29.86 1kma n GLU 45 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1kma s GLY 46 N 0.82 -0.36 0.40 8.31 0.00 -1.26 -4.89 107.32 110.34 1kma s GLY 46 Ca 0.60 0.81 -0.24 0.00 0.00 0.00 0.00 44.72 45.89 1kma s GLY 46 CO -0.12 0.52 1.03 2.56 0.00 0.00 0.00 173.10 177.09 1kma s PRO 47 N -1.30 4.18 -0.06 2.90 0.04 -1.03 0.03 135.00 139.77 1kma s PRO 47 Ca -0.12 1.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.33 1kma s PRO 47 Cb -0.03 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 1kma s PRO 47 CO 0.07 -0.11 -0.05 0.00 0.04 0.00 0.00 177.00 176.94 1kma n ASP 49 N -3.28 0.00 -3.97 0.00 9.92 -1.26 -4.85 116.55 113.11 1kma n ASP 49 Ca -0.02 0.58 -0.30 0.00 -0.53 0.00 0.00 54.79 54.52 1kma n ASP 49 Cb 0.07 -0.16 0.22 0.00 -0.64 0.00 0.00 41.12 40.62 1kma n ASP 49 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1kma s GLU 50 N -1.43 -0.80 -0.47 -1.24 -1.05 -1.26 -5.07 118.70 107.38 1kma s GLU 50 Ca 0.00 -0.03 0.06 0.00 -0.15 0.00 0.00 54.97 54.85 1kma s GLU 50 Cb 0.00 -1.64 0.20 0.00 -0.44 0.00 0.00 34.13 32.25 1kma s GLU 50 CO 0.00 -3.44 0.63 1.58 0.95 0.00 0.00 175.26 174.99 1kma n HIS 51 N -4.57 -2.55 -1.18 4.83 -0.00 -1.26 -4.63 115.22 105.86 1kma n HIS 51 Ca 0.12 -2.22 -0.35 0.00 0.46 0.00 0.00 57.72 55.73 1kma n HIS 51 Cb 0.59 0.95 0.09 0.00 -0.12 0.00 0.00 29.99 31.51 1kma n HIS 51 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1kma n ASP 52 N 2.46 -0.53 -2.70 0.26 5.68 -1.26 -4.98 116.55 115.48 1kma n ASP 52 Ca 0.20 0.57 -0.06 0.00 -0.50 0.00 0.00 54.79 55.00 1kma n ASP 52 Cb 0.55 -1.31 0.09 0.00 -1.14 0.00 0.00 41.12 39.31 1kma n ASP 52 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1kma n HIS 53 N -2.78 -1.07 -1.25 2.11 8.25 -1.26 -5.04 115.22 114.18 1kma n HIS 53 Ca 0.11 -2.13 -0.31 0.00 -0.26 0.00 0.00 57.72 55.13 1kma n HIS 53 Cb 0.50 0.89 0.10 0.00 1.12 0.00 0.00 29.99 32.61 1kma n HIS 53 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1kma s ASP 54 N -1.96 4.30 0.00 0.41 1.01 -1.26 -5.33 116.67 113.84 1kma s ASP 54 Ca 0.21 1.74 0.00 0.00 0.71 0.00 0.00 52.55 55.22 1kma s ASP 54 Cb 0.42 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.91 1kma s ASP 54 CO -0.06 -2.16 0.00 2.22 0.21 0.00 0.00 175.17 175.38