#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 1.30 0.00 -1.08 0.74 -1.26 -4.95 119.66 114.41 1kma s GLN 2 Ca 0.00 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 54.78 1kma s GLN 2 Cb 0.00 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.61 1kma s GLN 2 CO 0.00 -0.59 0.00 0.41 -0.55 0.00 0.00 175.29 174.56 1kma n GLY 3 N -0.40 0.37 0.69 2.59 0.00 -1.26 -4.64 105.19 102.54 1kma n GLY 3 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1kma n GLY 3 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kma n ASN 4 N -0.27 0.68 -0.00 1.61 4.05 -1.26 -4.82 115.26 115.25 1kma n ASN 4 Ca 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 54.93 1kma n ASN 4 Cb 0.13 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.11 1kma n ASN 4 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1kma h PRO 5 N 0.00 -0.07 -4.95 1.20 0.13 -1.85 -3.40 132.00 123.05 1kma h PRO 5 Ca 0.00 0.01 -0.69 0.00 -0.87 0.00 0.00 66.00 64.45 1kma h PRO 5 Cb 0.29 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 31.25 1kma h PRO 5 CO 0.00 -0.05 -0.07 0.00 -0.23 0.00 0.00 178.00 177.65 1kma n GLU 7 N 5.89 1.09 -3.99 0.00 2.13 -1.26 -4.49 120.64 120.00 1kma n GLU 7 Ca -0.06 -3.22 -0.09 0.00 0.66 0.00 0.00 57.16 54.44 1kma n GLU 7 Cb 0.46 -1.33 -0.08 0.00 0.27 0.00 0.00 31.44 30.76 1kma n GLU 7 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1kma s PRO 9 N -3.96 2.58 -0.12 0.00 0.04 -1.26 -4.96 135.00 127.31 1kma s PRO 9 Ca 0.15 0.06 -0.03 0.00 0.04 0.00 0.00 61.00 61.22 1kma s PRO 9 Cb 0.05 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1kma s PRO 9 CO -0.03 -1.06 2.84 0.54 0.04 0.00 0.00 177.00 179.33 1kma n ARG 10 N -2.88 1.79 -1.97 4.56 3.00 -1.26 -4.91 116.66 114.98 1kma n ARG 10 Ca 0.07 -1.05 -0.42 0.00 -0.01 0.00 0.00 57.85 56.43 1kma n ARG 10 Cb 0.59 -1.71 -0.03 0.00 0.00 0.00 0.00 32.46 31.30 1kma n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1kma s ALA 11 N -0.11 3.64 0.00 7.54 0.00 -1.26 -4.91 121.76 126.66 1kma s ALA 11 Ca 0.43 1.09 -0.02 0.00 0.00 0.00 0.00 51.96 53.46 1kma s ALA 11 Cb 0.24 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 1kma s ALA 11 CO -0.04 -1.21 2.39 1.28 0.00 0.00 0.00 175.76 178.18 1kma n LEU 12 N 6.20 5.06 -4.29 0.00 7.99 -1.26 -4.30 117.00 126.39 1kma n LEU 12 Ca 0.16 -2.53 -0.41 0.00 -0.01 0.00 0.00 56.01 53.22 1kma n LEU 12 Cb 0.42 -1.16 -0.01 0.00 -0.11 0.00 0.00 43.42 42.56 1kma n LEU 12 CO 0.62 1.16 2.14 1.41 -1.51 0.00 0.00 177.39 181.21 1kma n HIS 13 N 1.83 4.04 -1.85 -1.77 8.25 -0.98 -4.97 115.22 119.77 1kma n HIS 13 Ca 0.13 -2.70 -0.40 0.00 -0.26 0.00 0.00 57.72 54.48 1kma n HIS 13 Cb 0.60 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 29.14 1kma n HIS 13 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1kma s ARG 14 N 4.18 3.96 0.17 -0.41 0.52 -1.18 -3.21 118.95 122.98 1kma s ARG 14 Ca 0.54 2.45 -0.12 0.00 -0.52 0.00 0.00 55.73 58.07 1kma s ARG 14 Cb 0.07 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.70 1kma s ARG 14 CO 0.04 -0.61 0.36 0.14 0.02 0.00 0.00 175.30 175.25 1kma s VAL 15 N -1.17 0.05 -0.11 3.52 -7.23 -0.11 -3.27 120.40 112.09 1kma s VAL 15 Ca 0.56 -1.19 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 1kma s VAL 15 Cb -0.44 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 1kma s VAL 15 CO 0.58 -0.25 -0.04 0.00 -0.31 0.00 0.00 175.10 175.09 1kma s GLY 17 N -0.34 1.51 0.37 0.00 0.00 0.62 -4.24 107.32 105.23 1kma s GLY 17 Ca 0.06 -1.19 0.18 0.00 0.00 0.00 0.00 44.72 43.77 1kma s GLY 17 CO 0.02 -1.08 1.65 1.48 0.00 0.00 0.00 173.10 175.18 1kma h SER 18 N 0.69 0.44 0.00 1.64 4.64 -1.86 -0.32 113.55 118.78 1kma h SER 18 Ca -0.47 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1kma h SER 18 Cb 1.25 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1kma h SER 18 CO 0.57 -0.17 0.00 -0.67 -0.87 0.00 0.00 176.83 175.68 1kma n ASP 19 N -5.00 0.00 0.00 4.97 2.03 -1.26 -4.73 116.55 112.56 1kma n ASP 19 Ca 0.33 -0.67 0.00 0.00 0.52 0.00 0.00 54.79 54.97 1kma n ASP 19 Cb 1.10 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.50 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 0.10 0.74 3.56 0.27 0.00 -0.26 -5.01 105.19 104.60 1kma n GLY 20 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.43 5.41 0.43 1.61 3.84 -0.45 -3.81 114.94 119.54 1kma s ASN 21 Ca 0.00 -0.81 -0.25 0.00 0.21 0.00 0.00 52.86 52.01 1kma s ASN 21 Cb 0.00 -2.56 -0.08 0.00 -0.55 0.00 0.00 41.25 38.06 1kma s ASN 21 CO 0.00 -2.49 1.28 -0.89 -2.79 0.00 0.00 177.10 172.21 1kma s THR 22 N 9.05 2.65 0.15 -5.21 2.01 -1.26 -0.27 115.64 122.76 1kma s THR 22 Ca 0.65 0.55 0.08 0.00 0.31 0.00 0.00 61.69 63.29 1kma s THR 22 Cb -0.05 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1kma s THR 22 CO -0.02 0.05 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.46 1kma s TYR 23 N -1.32 1.82 0.36 4.92 1.51 0.10 -4.89 117.35 119.84 1kma s TYR 23 Ca 0.60 -0.46 0.28 0.00 -1.01 0.00 0.00 57.07 56.48 1kma s TYR 23 Cb -0.36 -0.93 1.39 0.00 -0.11 0.00 0.00 41.96 41.95 1kma s TYR 23 CO 0.46 0.30 2.04 0.66 -1.11 0.00 0.00 175.55 177.90 1kma h SER 24 N 3.44 0.00 -4.73 2.29 4.64 -1.84 -0.26 113.55 117.09 1kma h SER 24 Ca -0.43 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1kma h SER 24 Cb 1.20 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.13 1kma h SER 24 CO 0.48 0.13 0.36 0.54 -0.87 0.00 0.00 176.83 177.47 1kma s ASN 25 N -6.10 -0.48 0.39 4.97 2.20 -1.20 -2.33 114.94 112.40 1kma s ASN 25 Ca -0.02 0.21 0.28 0.00 -0.94 0.00 0.00 52.86 52.39 1kma s ASN 25 Cb 0.12 0.46 1.18 0.00 -2.00 0.00 0.00 41.25 41.02 1kma s ASN 25 CO 0.58 -0.67 1.84 1.55 -2.94 0.00 0.00 177.10 177.47 1kma h PRO 26 N 2.30 0.00 -0.11 3.55 0.13 -1.87 -1.64 132.00 134.34 1kma h PRO 26 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1kma h PRO 26 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1kma h PRO 26 CO 0.35 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.12 1kma h MET 28 N -0.07 1.18 0.19 0.00 2.86 -1.69 0.27 114.93 117.66 1kma h MET 28 Ca 0.03 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1kma h MET 28 Cb 0.36 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1kma h MET 28 CO 0.01 0.78 -0.13 1.25 1.06 0.00 0.00 176.91 179.88 1kma h LEU 29 N 1.21 -0.33 -2.07 1.22 6.46 -1.37 -1.01 115.31 119.42 1kma h LEU 29 Ca 0.41 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.19 1kma h LEU 29 Cb 0.08 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1kma h LEU 29 CO -0.14 -0.19 -0.00 0.00 -0.62 0.00 0.00 178.44 177.49 1kma h THR 30 N -0.30 0.93 0.00 1.05 1.03 -0.74 0.22 112.91 115.10 1kma h THR 30 Ca -0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1kma h THR 30 Cb 0.24 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 1kma h THR 30 CO 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.53 1kma n ALA 32 N -1.90 -0.02 -0.02 0.00 0.00 -0.39 0.33 120.51 118.52 1kma n ALA 32 Ca 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 53.44 54.22 1kma n ALA 32 Cb 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.97 1kma n ALA 32 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1kma h LYS 33 N 0.00 -0.31 0.00 0.00 3.64 -0.49 0.30 116.57 119.72 1kma h LYS 33 Ca 0.32 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1kma h LYS 33 Cb 0.54 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1kma h LYS 33 CO -0.85 -0.21 -0.00 0.45 -2.27 0.00 0.00 179.45 176.57 1kma h HIS 34 N -0.32 0.00 0.20 1.91 3.86 -0.04 -1.54 115.15 119.21 1kma h HIS 34 Ca 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1kma h HIS 34 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1kma h HIS 34 CO -0.55 0.00 -0.10 1.49 0.86 0.00 0.00 177.93 179.64 1kma h GLU 35 N 0.00 -0.26 0.00 2.45 4.81 0.11 -3.46 114.58 118.23 1kma h GLU 35 Ca -0.00 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1kma h GLU 35 Cb 0.28 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 1kma h GLU 35 CO 0.00 -0.17 -0.12 0.41 -0.73 0.00 0.00 179.01 178.40 1kma n GLY 36 N 0.94 0.82 2.52 1.92 0.00 0.96 -4.73 105.19 107.62 1kma n GLY 36 Ca -0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 2.69 0.30 1.61 2.85 -0.58 -4.93 115.26 117.20 1kma n ASN 37 Ca -0.10 -3.31 0.20 0.00 -0.11 0.00 0.00 54.58 51.27 1kma n ASN 37 Cb 0.58 -0.61 1.07 0.00 1.24 0.00 0.00 39.78 42.06 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 3.33 0.00 0.00 1.20 0.13 -1.85 -0.34 132.00 134.47 1kma h PRO 38 Ca 0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 1kma h PRO 38 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1kma h PRO 38 CO 0.68 0.00 -0.28 -0.44 -0.23 0.00 0.00 178.00 177.73 1kma h ASP 39 N 0.00 0.00 -4.17 1.44 5.19 -1.92 -3.45 116.42 113.51 1kma h ASP 39 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 1kma h ASP 39 Cb 0.05 0.00 0.12 0.00 0.18 0.00 0.00 39.33 39.68 1kma h ASP 39 CO 0.00 0.28 0.39 -0.22 -3.12 0.00 0.00 179.24 176.57 1kma s LEU 40 N -6.36 3.41 0.01 1.55 2.96 -0.14 -4.97 118.68 115.14 1kma s LEU 40 Ca 0.05 2.18 -0.16 0.00 -0.22 0.00 0.00 54.13 55.98 1kma s LEU 40 Cb 0.07 -4.57 0.03 0.00 0.50 0.00 0.00 46.19 42.21 1kma s LEU 40 CO 0.71 -1.85 0.35 0.68 -1.32 0.00 0.00 176.35 174.92 1kma s VAL 41 N -2.10 0.06 -1.14 1.68 -7.23 -1.26 -4.97 120.40 105.44 1kma s VAL 41 Ca 0.71 -0.51 -0.22 0.00 -1.81 0.00 0.00 61.98 60.16 1kma s VAL 41 Cb -0.25 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 35.90 1kma s VAL 41 CO 0.41 -0.28 1.77 -1.58 -0.31 0.00 0.00 175.10 175.11 1kma s GLN 42 N -1.90 3.23 0.13 4.82 2.00 -1.26 -3.90 119.66 122.77 1kma s GLN 42 Ca -0.09 -1.28 -0.26 0.00 -2.00 0.00 0.00 55.36 51.72 1kma s GLN 42 Cb -0.03 -5.34 -0.05 0.00 0.80 0.00 0.00 33.01 28.40 1kma s GLN 42 CO 0.01 -2.93 1.63 -0.39 -0.50 0.00 0.00 175.29 173.11 1kma h VAL 43 N 6.29 0.37 -1.83 1.34 -1.51 -1.94 -3.48 116.25 115.50 1kma h VAL 43 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 1kma h VAL 43 Cb 0.94 0.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1kma h VAL 43 CO 1.34 0.00 0.02 0.00 -1.23 0.00 0.00 177.57 177.70 1kma n HIS 44 N -5.39 -0.84 0.00 5.19 -0.00 -1.26 -5.10 115.22 107.83 1kma n HIS 44 Ca -0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 1kma n HIS 44 Cb 0.30 0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.33 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 -0.03 2.72 -2.07 -1.40 0.00 -1.26 -4.45 120.64 114.15 1kma n GLU 45 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1kma n GLU 45 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.47 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 3.64 -4.53 3.75 8.31 0.00 -1.26 -1.91 105.19 113.20 1kma n GLY 46 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.45 4.50 -0.07 1.61 0.04 -1.20 -1.33 135.00 138.11 1kma s PRO 47 Ca 0.00 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.95 1kma s PRO 47 Cb 0.00 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1kma s PRO 47 CO 0.00 -0.03 -0.05 0.00 0.04 0.00 0.00 177.00 176.96 1kma s ASP 49 N -4.54 6.51 0.12 0.00 2.15 -1.25 -5.01 116.67 114.65 1kma s ASP 49 Ca -0.05 2.74 -0.16 0.00 0.43 0.00 0.00 52.55 55.51 1kma s ASP 49 Cb 0.01 -2.60 0.04 0.00 -0.30 0.00 0.00 42.92 40.06 1kma s ASP 49 CO 0.07 -0.87 0.41 -1.83 -0.17 0.00 0.00 175.17 172.77 1kma s GLU 50 N 0.82 1.06 0.00 4.34 -1.05 -1.26 -4.94 118.70 117.66 1kma s GLU 50 Ca 0.70 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 1kma s GLU 50 Cb -0.46 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 33.70 1kma s GLU 50 CO 0.34 -0.41 0.00 1.58 0.95 0.00 0.00 175.26 177.72 1kma n HIS 51 N -0.16 0.00 -1.61 4.83 -0.00 -1.26 -5.12 115.22 111.90 1kma n HIS 51 Ca -0.16 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.63 1kma n HIS 51 Cb 0.63 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.54 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 -0.43 0.89 -2.70 0.26 5.75 -1.26 -5.00 116.55 114.06 1kma n ASP 52 Ca 0.00 0.89 -0.04 0.00 -0.01 0.00 0.00 54.79 55.63 1kma n ASP 52 Cb 0.00 -1.37 0.11 0.00 -1.03 0.00 0.00 41.12 38.83 1kma n ASP 52 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1kma n HIS 53 N -1.25 -1.59 -1.27 2.11 8.25 -1.26 -5.14 115.22 115.08 1kma n HIS 53 Ca 0.12 -1.92 -0.30 0.00 -0.26 0.00 0.00 57.72 55.36 1kma n HIS 53 Cb 0.44 1.23 0.14 0.00 1.12 0.00 0.00 29.99 32.92 1kma n HIS 53 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1kma s ASP 54 N -1.61 3.50 0.00 0.41 2.15 -1.26 -5.36 116.67 114.51 1kma s ASP 54 Ca 0.17 1.39 0.00 0.00 0.43 0.00 0.00 52.55 54.54 1kma s ASP 54 Cb 0.42 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.97 1kma s ASP 54 CO -0.09 -2.61 0.00 2.22 -0.17 0.00 0.00 175.17 174.52