#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 0.01 3.97 7.27 -1.26 -4.98 117.38 122.39 1kma n GLN 2 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.90 1kma n GLN 2 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 1kma n GLN 2 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1kma h GLY 3 N 0.00 0.80 0.97 1.69 0.00 -2.02 -3.35 103.07 101.17 1kma h GLY 3 Ca 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 47.33 46.08 1kma h GLY 3 CO 0.00 1.08 0.18 -0.57 0.00 0.00 0.00 176.54 177.23 1kma h ASN 4 N 0.47 0.72 -0.32 0.19 -0.00 -2.00 -0.65 115.58 113.99 1kma h ASN 4 Ca -0.07 -0.19 0.09 0.00 -0.00 0.00 0.00 56.30 56.13 1kma h ASN 4 Cb 1.49 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 39.61 1kma h ASN 4 CO 0.17 0.71 0.26 1.55 -0.00 0.00 0.00 177.43 180.13 1kma h PRO 5 N 0.68 0.00 -0.71 6.67 0.13 -1.88 -2.57 132.00 134.32 1kma h PRO 5 Ca 0.17 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.94 1kma h PRO 5 Cb 0.24 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.16 1kma h PRO 5 CO -0.01 0.00 0.33 0.00 -0.23 0.00 0.00 178.00 178.09 1kma h GLU 7 N 1.17 0.00 -7.07 0.00 4.81 -0.95 -3.44 114.58 109.10 1kma h GLU 7 Ca 0.43 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 59.17 1kma h GLU 7 Cb 2.33 0.00 0.21 0.00 0.63 0.00 0.00 28.75 31.92 1kma h GLU 7 CO 0.78 0.00 -0.15 0.00 -0.73 0.00 0.00 179.01 178.92 1kma s PRO 9 N -4.24 3.12 -0.18 0.00 0.04 -1.26 -4.94 135.00 127.54 1kma s PRO 9 Ca 0.64 0.64 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 1kma s PRO 9 Cb -0.22 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.32 1kma s PRO 9 CO 0.63 -0.89 2.40 0.54 0.04 0.00 0.00 177.00 179.72 1kma n ARG 10 N -2.94 1.66 -2.02 4.56 3.00 -1.26 -4.92 116.66 114.74 1kma n ARG 10 Ca 0.07 -1.06 -0.42 0.00 -0.01 0.00 0.00 57.85 56.42 1kma n ARG 10 Cb 0.55 -1.55 -0.03 0.00 0.00 0.00 0.00 32.46 31.43 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 -0.72 3.68 -0.01 7.54 0.00 -1.26 -4.93 121.76 126.06 1kma s ALA 11 Ca 0.31 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.44 1kma s ALA 11 Cb 0.20 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1kma s ALA 11 CO -0.03 -0.87 2.57 1.28 0.00 0.00 0.00 175.76 178.71 1kma n LEU 12 N 4.70 5.33 -2.86 0.00 7.99 -1.25 -4.05 117.00 126.87 1kma n LEU 12 Ca 0.14 -2.70 -0.30 0.00 -0.01 0.00 0.00 56.01 53.14 1kma n LEU 12 Cb 0.41 -1.23 -0.07 0.00 -0.11 0.00 0.00 43.42 42.42 1kma n LEU 12 CO 0.61 1.26 2.52 1.41 -1.51 0.00 0.00 177.39 181.67 1kma n HIS 13 N 1.83 1.63 -1.65 -1.77 8.25 -0.15 -4.92 115.22 118.45 1kma n HIS 13 Ca 0.16 -2.45 -0.41 0.00 -0.26 0.00 0.00 57.72 54.76 1kma n HIS 13 Cb 0.65 -2.00 0.02 0.00 1.12 0.00 0.00 29.99 29.77 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 2.67 1.49 -3.92 -0.41 1.74 -0.80 -4.05 116.66 113.38 1kma n ARG 14 Ca 0.62 0.54 -0.09 0.00 -0.77 0.00 0.00 57.85 58.15 1kma n ARG 14 Cb 0.47 -2.19 -0.07 0.00 -1.02 0.00 0.00 32.46 29.65 1kma n ARG 14 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1kma s VAL 15 N -1.28 0.12 -0.19 1.55 -7.23 -0.03 -3.34 120.40 110.00 1kma s VAL 15 Ca 0.65 -1.33 -0.09 0.00 -1.81 0.00 0.00 61.98 59.40 1kma s VAL 15 Cb -0.52 -1.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 1kma s VAL 15 CO 0.56 -0.53 0.10 0.00 -0.31 0.00 0.00 175.10 174.91 1kma s GLY 17 N 0.25 1.50 0.13 0.00 0.00 0.48 -3.99 107.32 105.68 1kma s GLY 17 Ca 0.07 -1.16 -0.18 0.00 0.00 0.00 0.00 44.72 43.45 1kma s GLY 17 CO -0.01 -1.06 1.08 -1.14 0.00 0.00 0.00 173.10 171.98 1kma n SER 18 N -1.83 -0.62 -1.81 1.64 3.41 -1.16 -0.59 113.62 112.65 1kma n SER 18 Ca -0.01 1.24 -0.10 0.00 -0.26 0.00 0.00 58.87 59.73 1kma n SER 18 Cb 0.57 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 1kma n SER 18 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1kma n ASP 19 N -4.94 5.88 0.00 4.04 9.92 -1.26 -4.49 116.55 125.69 1kma n ASP 19 Ca 0.04 -2.75 0.00 0.00 -0.53 0.00 0.00 54.79 51.55 1kma n ASP 19 Cb 0.22 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 1kma n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kma n GLY 20 N 1.11 0.31 3.28 0.44 0.00 -1.15 -4.88 105.19 104.30 1kma n GLY 20 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1kma n GLY 20 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kma n ASN 21 N -0.31 3.67 -4.77 1.61 4.05 0.24 -4.47 115.26 115.28 1kma n ASN 21 Ca 0.00 -2.79 -0.39 0.00 0.45 0.00 0.00 54.58 51.85 1kma n ASN 21 Cb 0.16 -1.58 -0.00 0.00 1.23 0.00 0.00 39.78 39.58 1kma n ASN 21 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1kma s THR 22 N 5.95 2.69 0.12 -0.44 2.01 -1.26 -0.39 115.64 124.33 1kma s THR 22 Ca 0.57 0.59 0.05 0.00 0.31 0.00 0.00 61.69 63.21 1kma s THR 22 Cb 0.07 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1kma s THR 22 CO 0.07 0.06 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.62 1kma s TYR 23 N -1.32 1.35 0.59 4.92 1.51 0.88 -4.89 117.35 120.39 1kma s TYR 23 Ca 0.59 -0.59 0.29 0.00 -1.01 0.00 0.00 57.07 56.36 1kma s TYR 23 Cb -0.36 -0.70 1.80 0.00 -0.11 0.00 0.00 41.96 42.59 1kma s TYR 23 CO 0.46 0.13 2.25 0.77 -1.11 0.00 0.00 175.55 178.04 1kma h SER 24 N 3.42 0.00 -4.92 2.29 0.02 -1.88 -0.05 113.55 112.43 1kma h SER 24 Ca -0.39 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.63 1kma h SER 24 Cb 1.20 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.62 1kma h SER 24 CO 0.52 0.00 0.35 0.54 -1.14 0.00 0.00 176.83 177.11 1kma s ASN 25 N -6.18 -0.40 0.55 3.07 2.20 -1.26 -0.98 114.94 111.95 1kma s ASN 25 Ca -0.05 -0.13 0.33 0.00 -0.94 0.00 0.00 52.86 52.07 1kma s ASN 25 Cb 0.15 0.52 1.55 0.00 -2.00 0.00 0.00 41.25 41.48 1kma s ASN 25 CO 0.55 -0.88 2.07 1.55 -2.94 0.00 0.00 177.10 177.45 1kma h PRO 26 N 2.00 0.00 -0.44 3.55 0.13 -1.86 -1.43 132.00 133.94 1kma h PRO 26 Ca -0.26 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.76 1kma h PRO 26 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1kma h PRO 26 CO 0.32 0.06 -0.14 0.00 -0.23 0.00 0.00 178.00 178.01 1kma h MET 28 N 0.74 0.56 0.55 0.00 2.86 -1.61 0.31 114.93 118.35 1kma h MET 28 Ca 0.12 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1kma h MET 28 Cb 0.65 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.31 1kma h MET 28 CO 0.05 0.83 -0.27 1.25 1.06 0.00 0.00 176.91 179.83 1kma h LEU 29 N 0.47 -0.63 -1.74 1.22 6.46 -1.39 -1.44 115.31 118.26 1kma h LEU 29 Ca 0.05 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1kma h LEU 29 Cb 0.84 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1kma h LEU 29 CO 0.07 -0.42 0.21 0.00 -0.62 0.00 0.00 178.44 177.68 1kma h THR 30 N -0.80 1.04 0.00 1.05 1.03 -0.97 0.23 112.91 114.49 1kma h THR 30 Ca -0.08 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1kma h THR 30 Cb 0.57 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 1kma h THR 30 CO 0.13 0.06 0.00 0.00 -0.01 0.00 0.00 175.52 175.70 1kma h ALA 32 N -1.63 0.31 -0.08 0.00 0.00 -0.27 0.45 119.26 118.04 1kma h ALA 32 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1kma h ALA 32 Cb 0.00 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1kma h ALA 32 CO 0.00 -0.55 -0.33 -0.22 0.00 0.00 0.00 179.25 178.15 1kma h LYS 33 N -0.00 -0.35 0.00 0.00 3.64 -0.39 0.33 116.57 119.80 1kma h LYS 33 Ca 0.39 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1kma h LYS 33 Cb 0.64 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1kma h LYS 33 CO -1.00 -0.23 0.00 0.45 -2.27 0.00 0.00 179.45 176.40 1kma h HIS 34 N -0.36 0.00 0.17 1.91 3.86 -0.51 -0.98 115.15 119.24 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 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1kma h HIS 34 CO -0.52 0.00 -0.08 1.49 0.86 0.00 0.00 177.93 179.68 1kma h GLU 35 N 0.00 -0.22 0.00 2.45 4.22 0.50 -3.46 114.58 118.08 1kma h GLU 35 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1kma h GLU 35 Cb 0.61 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1kma h GLU 35 CO 0.00 0.19 0.00 0.41 -2.18 0.00 0.00 179.01 177.43 1kma n GLY 36 N 0.70 0.70 2.65 1.92 0.00 0.98 -4.77 105.19 107.37 1kma n GLY 36 Ca -0.07 0.00 -0.23 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 0.00 3.34 0.31 1.61 2.85 -0.17 -4.95 115.26 118.24 1kma n ASN 37 Ca 0.00 -3.44 0.19 0.00 -0.11 0.00 0.00 54.58 51.21 1kma n ASN 37 Cb 0.35 -0.56 1.03 0.00 1.24 0.00 0.00 39.78 41.84 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 2.93 0.00 -0.14 1.20 0.13 -1.76 0.58 132.00 134.94 1kma h PRO 38 Ca 0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 1kma h PRO 38 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1kma h PRO 38 CO 0.72 0.00 -0.12 -0.44 -0.23 0.00 0.00 178.00 177.92 1kma h ASP 39 N 0.00 0.21 -4.23 1.44 5.19 -1.93 -3.46 116.42 113.64 1kma h ASP 39 Ca 0.01 -0.04 -0.52 0.00 -0.62 0.00 0.00 57.03 55.86 1kma h ASP 39 Cb 0.10 -0.05 0.14 0.00 0.18 0.00 0.00 39.33 39.70 1kma h ASP 39 CO -0.00 0.36 0.34 -0.22 -3.12 0.00 0.00 179.24 176.60 1kma s LEU 40 N -8.78 3.20 0.05 1.55 2.96 0.19 -5.00 118.68 112.85 1kma s LEU 40 Ca -0.05 2.12 -0.17 0.00 -0.22 0.00 0.00 54.13 55.81 1kma s LEU 40 Cb 0.15 -4.56 0.03 0.00 0.50 0.00 0.00 46.19 42.32 1kma s LEU 40 CO 0.73 -2.18 0.38 0.68 -1.32 0.00 0.00 176.35 174.64 1kma s VAL 41 N -2.39 0.06 -1.03 1.68 -7.23 -1.26 -4.98 120.40 105.24 1kma s VAL 41 Ca 0.68 -0.53 -0.23 0.00 -1.81 0.00 0.00 61.98 60.09 1kma s VAL 41 Cb -0.23 -0.97 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 1kma s VAL 41 CO 0.48 -0.29 1.78 -1.58 -0.31 0.00 0.00 175.10 175.18 1kma s GLN 42 N -2.63 3.00 0.17 4.82 2.00 -1.26 -3.01 119.66 122.76 1kma s GLN 42 Ca -0.04 -0.89 -0.15 0.00 -2.00 0.00 0.00 55.36 52.27 1kma s GLN 42 Cb -0.01 -5.24 0.12 0.00 0.80 0.00 0.00 33.01 28.69 1kma s GLN 42 CO -0.04 -3.03 1.71 -0.39 -0.50 0.00 0.00 175.29 173.04 1kma h VAL 43 N 6.73 0.72 -2.73 1.34 -1.51 -1.91 -3.46 116.25 115.43 1kma h VAL 43 Ca 0.19 -0.05 0.07 0.00 -1.23 0.00 0.00 66.70 65.68 1kma h VAL 43 Cb 0.98 0.57 -0.10 0.00 -2.13 0.00 0.00 31.29 30.61 1kma h VAL 43 CO 1.30 0.03 0.33 -1.38 -1.23 0.00 0.00 177.57 176.62 1kma s HIS 44 N -6.17 -0.33 0.65 5.19 0.00 -1.26 -5.08 115.29 108.29 1kma s HIS 44 Ca -0.13 0.06 -0.08 0.00 -3.00 0.00 0.00 55.06 51.91 1kma s HIS 44 Cb 0.14 0.61 0.02 0.00 -4.00 0.00 0.00 32.58 29.35 1kma s HIS 44 CO 0.71 -0.88 0.98 -2.00 -1.00 0.00 0.00 174.74 172.56 1kma s GLU 45 N -3.58 2.71 0.13 -0.38 2.12 -1.26 -3.94 118.70 114.50 1kma s GLU 45 Ca 0.06 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.46 1kma s GLU 45 Cb -0.02 -2.17 0.00 0.00 0.26 0.00 0.00 34.13 32.19 1kma s GLU 45 CO -0.04 -0.93 0.00 0.41 -0.54 0.00 0.00 175.26 174.15 1kma n GLY 46 N -2.79 -3.06 3.87 -1.50 0.00 -1.23 -4.72 105.19 95.76 1kma n GLY 46 Ca 0.06 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 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 -4.29 3.70 -0.04 1.61 0.04 -1.21 -0.57 135.00 134.24 1kma s PRO 47 Ca 0.00 0.59 -0.09 0.00 0.04 0.00 0.00 61.00 61.55 1kma s PRO 47 Cb 0.00 -2.24 -0.30 0.00 0.04 0.00 0.00 34.50 32.00 1kma s PRO 47 CO 0.00 -0.29 0.70 0.00 0.04 0.00 0.00 177.00 177.45 1kma s ASP 49 N -7.19 6.50 -0.05 0.00 2.15 -1.26 -5.00 116.67 111.81 1kma s ASP 49 Ca -0.14 2.70 -0.21 0.00 0.43 0.00 0.00 52.55 55.33 1kma s ASP 49 Cb 0.06 -2.59 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 1kma s ASP 49 CO 0.85 -0.90 0.46 -0.70 -0.17 0.00 0.00 175.17 174.71 1kma s GLU 50 N 1.54 0.79 0.00 4.34 2.56 -1.26 -5.08 118.70 121.59 1kma s GLU 50 Ca 0.73 0.09 0.00 0.00 0.00 0.00 0.00 54.97 55.80 1kma s GLU 50 Cb -0.45 0.36 0.00 0.00 2.00 0.00 0.00 34.13 36.04 1kma s GLU 50 CO 0.32 -0.22 0.00 -2.39 -0.56 0.00 0.00 175.26 172.42 1kma n HIS 51 N 1.38 -1.10 -3.61 5.30 1.44 -1.26 -5.14 115.22 112.22 1kma n HIS 51 Ca -0.19 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.49 1kma n HIS 51 Cb 0.56 0.37 -0.01 0.00 0.12 0.00 0.00 29.99 31.03 1kma n HIS 51 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1kma s ASP 52 N -2.86 -0.14 -0.24 4.39 1.47 -1.26 -5.07 116.67 112.97 1kma s ASP 52 Ca 0.00 -0.09 0.20 0.00 1.18 0.00 0.00 52.55 53.84 1kma s ASP 52 Cb 0.00 0.21 0.45 0.00 -0.34 0.00 0.00 42.92 43.25 1kma s ASP 52 CO 0.00 -0.37 1.21 0.00 0.68 0.00 0.00 175.17 176.69 1kma n HIS 53 N -0.29 0.29 -0.04 2.11 1.44 -1.26 -5.00 115.22 112.47 1kma n HIS 53 Ca -0.05 -1.78 -0.12 0.00 -2.01 0.00 0.00 57.72 53.77 1kma n HIS 53 Cb 0.61 0.23 -0.06 0.00 0.12 0.00 0.00 29.99 30.88 1kma n HIS 53 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1kma h ASP 54 N 1.93 0.20 -0.02 4.39 3.58 -2.09 -3.57 116.42 120.84 1kma h ASP 54 Ca -0.24 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1kma h ASP 54 Cb 1.36 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.35 1kma h ASP 54 CO 0.06 0.40 0.00 0.49 -2.88 0.00 0.00 179.24 177.32