#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqc s GLU 4 N 0.00 3.67 -0.22 0.00 2.02 -1.26 -5.09 118.70 117.82 2qqc s GLU 4 Ca 0.00 0.62 -0.16 0.00 0.02 0.00 0.00 54.97 55.45 2qqc s GLU 4 Cb 0.00 -2.20 0.06 0.00 0.10 0.00 0.00 34.13 32.10 2qqc s GLU 4 CO 0.00 -0.37 0.56 -1.50 0.02 0.00 0.00 175.26 173.96 2qqc s ILE 5 N -2.89 -0.01 -0.47 -1.63 2.07 -1.26 -5.10 121.20 111.92 2qqc s ILE 5 Ca 0.53 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.70 2qqc s ILE 5 Cb -0.11 -0.79 0.11 0.00 0.13 0.00 0.00 42.46 41.80 2qqc s ILE 5 CO 0.45 0.01 0.34 0.21 -1.91 0.00 0.00 174.94 174.05 2qqc s ASN 6 N 0.96 5.74 0.61 4.50 3.84 -1.26 -4.95 114.94 124.38 2qqc s ASN 6 Ca -0.05 -1.82 0.29 0.00 0.21 0.00 0.00 52.86 51.49 2qqc s ASN 6 Cb -0.05 -2.02 1.58 0.00 -0.55 0.00 0.00 41.25 40.20 2qqc s ASN 6 CO -0.09 -0.68 1.97 -0.65 -2.79 0.00 0.00 177.10 174.87 2qqc h PRO 7 N 8.48 0.00 0.00 0.43 0.11 -1.93 0.71 132.00 139.81 2qqc h PRO 7 Ca -0.22 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.85 2qqc h PRO 7 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2qqc h PRO 7 CO 0.86 0.00 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.37 2qqc h LEU 8 N 0.00 0.00 0.00 2.35 3.38 -1.97 -3.32 115.31 115.75 2qqc h LEU 8 Ca 0.13 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.75 2qqc h LEU 8 Cb 0.85 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 2qqc h LEU 8 CO -0.00 0.20 -2.33 1.41 0.09 0.00 0.00 178.44 177.81 2qqc n HIS 9 N -3.25 0.00 -2.32 1.13 8.25 0.08 -4.55 115.22 114.57 2qqc n HIS 9 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 2qqc n HIS 9 Cb 0.50 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.71 2qqc n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qqc n ALA 10 N -3.11 5.91 0.32 -1.41 0.00 -0.24 -4.73 120.51 117.24 2qqc n ALA 10 Ca -0.40 -4.32 0.20 0.00 0.00 0.00 0.00 53.44 48.93 2qqc n ALA 10 Cb 0.97 -2.77 1.07 0.00 0.00 0.00 0.00 19.45 18.71 2qqc n ALA 10 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2qqc h TYR 11 N 5.19 0.00 -0.06 0.00 -0.00 -1.80 -1.61 116.97 118.69 2qqc h TYR 11 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.22 2qqc h TYR 11 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.22 2qqc h TYR 11 CO 1.35 0.01 0.00 1.97 -0.00 0.00 0.00 178.16 181.49 2qqc n PHE 12 N -3.23 0.07 -3.93 0.10 1.16 -1.26 -4.55 117.46 105.81 2qqc n PHE 12 Ca -0.02 -0.03 -0.31 0.00 -1.87 0.00 0.00 57.45 55.22 2qqc n PHE 12 Cb 0.12 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 37.84 2qqc n PHE 12 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2qqc s LYS 13 N -1.93 1.40 0.35 3.97 2.20 -0.61 -5.11 119.74 120.01 2qqc s LYS 13 Ca 0.36 -1.86 -0.17 0.00 -0.36 0.00 0.00 55.97 53.95 2qqc s LYS 13 Cb 0.18 -2.94 -0.10 0.00 -1.51 0.00 0.00 37.83 33.47 2qqc s LYS 13 CO 0.29 -0.99 0.80 -0.51 -0.36 0.00 0.00 175.35 174.58 2qqc s LEU 14 N 0.81 4.03 0.52 5.43 1.02 -1.26 -4.96 118.68 124.27 2qqc s LEU 14 Ca 0.12 1.40 -0.23 0.00 0.02 0.00 0.00 54.13 55.45 2qqc s LEU 14 Cb -0.20 -4.20 -0.06 0.00 0.02 0.00 0.00 46.19 41.75 2qqc s LEU 14 CO -0.09 -0.24 1.39 -2.65 0.02 0.00 0.00 176.35 174.77 2qqc n PRO 15 N -0.42 1.86 0.00 1.29 -0.02 -1.26 -4.92 135.00 131.53 2qqc n PRO 15 Ca 0.04 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2qqc n PRO 15 Cb 0.53 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2qqc n PRO 15 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2qqc n ASN 16 N -0.78 1.85 -4.08 2.55 0.23 -1.26 -5.03 115.26 108.75 2qqc n ASN 16 Ca 0.09 -1.87 -0.09 0.00 -0.53 0.00 0.00 54.58 52.17 2qqc n ASN 16 Cb 0.44 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.03 2qqc n ASN 16 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2qqc s THR 17 N -0.87 0.36 -0.02 5.53 -4.23 -1.26 -5.16 115.64 109.99 2qqc s THR 17 Ca 0.00 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 2qqc s THR 17 Cb 0.00 -1.09 0.01 0.00 1.34 0.00 0.00 72.50 72.76 2qqc s THR 17 CO 0.00 -0.74 -0.02 -0.69 -0.54 0.00 0.00 174.62 172.62 2qqc s VAL 18 N -2.82 0.27 -0.05 2.29 1.01 -1.26 -5.15 120.40 114.70 2qqc s VAL 18 Ca -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2qqc s VAL 18 Cb -0.00 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.11 2qqc s VAL 18 CO -0.05 0.12 -0.10 -0.44 0.00 0.00 0.00 175.10 174.63 2qqc s SER 19 N 0.38 1.48 -0.19 3.32 0.01 -1.26 -5.12 113.70 112.32 2qqc s SER 19 Ca -0.04 -0.24 -0.16 0.00 1.31 0.00 0.00 55.95 56.83 2qqc s SER 19 Cb -0.07 -0.66 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 2qqc s SER 19 CO -0.01 0.02 0.38 -0.76 0.41 0.00 0.00 173.24 173.28 2qqc s LEU 20 N 0.66 4.17 0.08 2.44 1.43 -1.26 -5.07 118.68 121.13 2qqc s LEU 20 Ca -0.12 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2qqc s LEU 20 Cb -0.15 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2qqc s LEU 20 CO 0.02 -0.04 -0.07 0.68 0.23 0.00 0.00 176.35 177.17 2qqc s VAL 21 N 1.15 0.60 -0.03 -1.59 -7.23 -1.26 -5.16 120.40 106.88 2qqc s VAL 21 Ca 0.19 -1.64 -0.24 0.00 -1.81 0.00 0.00 61.98 58.48 2qqc s VAL 21 Cb -0.14 -1.31 0.05 0.00 0.56 0.00 0.00 36.38 35.54 2qqc s VAL 21 CO 0.07 -0.72 0.53 0.00 -0.31 0.00 0.00 175.10 174.67 2qqc s ALA 22 N -2.90 -1.37 0.17 1.32 0.00 -1.26 -5.07 121.76 112.66 2qqc s ALA 22 Ca 0.04 0.90 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 2qqc s ALA 22 Cb 0.00 0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.23 2qqc s ALA 22 CO -0.03 -0.33 0.95 0.20 0.00 0.00 0.00 175.76 176.54 2qqc s GLY 23 N -1.27 -0.20 0.16 0.00 0.00 -1.26 -4.16 107.32 100.59 2qqc s GLY 23 Ca -0.12 0.06 -0.10 0.00 0.00 0.00 0.00 44.72 44.56 2qqc s GLY 23 CO 0.07 0.07 0.32 -1.35 0.00 0.00 0.00 173.10 172.21 2qqc s SER 24 N -2.96 -0.01 -0.18 1.64 1.04 -1.26 -4.86 113.70 107.11 2qqc s SER 24 Ca 0.13 -0.79 -0.34 0.00 0.48 0.00 0.00 55.95 55.43 2qqc s SER 24 Cb -0.02 0.45 0.14 0.00 0.10 0.00 0.00 66.02 66.70 2qqc s SER 24 CO 0.03 -0.91 1.18 -0.55 0.98 0.00 0.00 173.24 173.97 2qqc s SER 25 N -2.95 -0.16 0.54 7.02 0.15 -1.26 -4.46 113.70 112.58 2qqc s SER 25 Ca 0.15 0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.84 2qqc s SER 25 Cb 0.03 0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.53 2qqc s SER 25 CO -0.01 -0.26 0.76 -1.61 1.20 0.00 0.00 173.24 173.32 2qqc s GLU 26 N -2.27 2.61 0.04 5.44 0.41 -1.26 -4.78 118.70 118.89 2qqc s GLU 26 Ca 0.08 -0.74 -0.27 0.00 -0.41 0.00 0.00 54.97 53.63 2qqc s GLU 26 Cb -0.01 -2.49 0.09 0.00 -1.78 0.00 0.00 34.13 29.94 2qqc s GLU 26 CO -0.05 -0.66 0.78 0.20 -0.49 0.00 0.00 175.26 175.04 2qqc s GLY 27 N -4.40 -0.51 0.33 -1.39 0.00 -1.26 -4.42 107.32 95.67 2qqc s GLY 27 Ca 0.56 0.93 0.25 0.00 0.00 0.00 0.00 44.72 46.45 2qqc s GLY 27 CO 0.38 0.37 1.69 0.83 0.00 0.00 0.00 173.10 176.37 2qqc h GLU 28 N 2.11 0.00 -4.22 2.90 5.08 -1.99 -3.44 114.58 115.01 2qqc h GLU 28 Ca -0.26 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.96 2qqc h GLU 28 Cb 1.25 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.36 2qqc h GLU 28 CO 0.34 0.00 -0.58 0.95 -1.00 0.00 0.00 179.01 178.72 2qqc s THR 29 N -3.16 0.14 0.18 1.13 -4.23 -1.26 -5.03 115.64 103.40 2qqc s THR 29 Ca 0.09 -1.72 -0.14 0.00 -1.18 0.00 0.00 61.69 58.74 2qqc s THR 29 Cb 0.09 -1.76 0.07 0.00 1.34 0.00 0.00 72.50 72.23 2qqc s THR 29 CO 0.63 -0.64 1.80 -0.65 -0.54 0.00 0.00 174.62 175.22 2qqc h PRO 30 N 2.90 0.53 -0.79 3.99 0.11 -1.99 -0.37 132.00 136.37 2qqc h PRO 30 Ca -0.34 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 2qqc h PRO 30 Cb 1.18 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2qqc h PRO 30 CO 0.60 0.35 0.32 1.25 -0.21 0.00 0.00 178.00 180.30 2qqc h LEU 31 N 0.54 1.09 -0.85 2.35 5.85 -1.98 0.21 115.31 122.53 2qqc h LEU 31 Ca 0.21 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 2qqc h LEU 31 Cb 0.08 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2qqc h LEU 31 CO -0.12 0.96 -0.36 0.78 -0.34 0.00 0.00 178.44 179.36 2qqc h ASN 32 N 1.15 0.44 -0.37 1.25 2.35 -1.87 0.11 115.58 118.64 2qqc h ASN 32 Ca 0.27 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 2qqc h ASN 32 Cb 0.21 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2qqc h ASN 32 CO -0.02 0.77 0.00 0.00 -1.65 0.00 0.00 177.43 176.53 2qqc h ALA 33 N 1.26 0.50 -0.08 -0.83 0.00 -0.48 0.13 119.26 119.75 2qqc h ALA 33 Ca 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2qqc h ALA 33 Cb 0.80 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2qqc h ALA 33 CO 0.06 0.26 -0.01 0.35 0.00 0.00 0.00 179.25 179.92 2qqc h PHE 34 N 0.47 -0.03 -0.75 0.00 3.57 -0.67 -0.14 116.94 119.39 2qqc h PHE 34 Ca 0.10 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.68 2qqc h PHE 34 Cb 0.46 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 2qqc h PHE 34 CO 0.04 -0.02 0.43 0.22 -2.23 0.00 0.00 178.31 176.75 2qqc h ASP 35 N 0.01 0.65 -0.55 0.41 3.58 -0.62 -1.04 116.42 118.87 2qqc h ASP 35 Ca 0.04 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 2qqc h ASP 35 Cb 0.05 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2qqc h ASP 35 CO -0.07 0.41 0.17 1.23 -2.88 0.00 0.00 179.24 178.10 2qqc h GLY 36 N 0.79 0.97 1.06 -0.78 0.00 -0.36 -1.38 103.07 103.38 2qqc h GLY 36 Ca 0.34 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 2qqc h GLY 36 CO -0.19 0.52 0.02 0.00 0.00 0.00 0.00 176.54 176.90 2qqc h ALA 37 N 1.31 0.80 -0.43 3.60 0.00 -0.02 -0.05 119.26 124.46 2qqc h ALA 37 Ca 0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2qqc h ALA 37 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2qqc h ALA 37 CO -0.01 0.62 0.17 -0.07 0.00 0.00 0.00 179.25 179.96 2qqc h LEU 38 N 0.94 0.60 -0.69 0.00 3.38 -0.86 0.80 115.31 119.48 2qqc h LEU 38 Ca 0.17 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qqc h LEU 38 Cb 0.53 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2qqc h LEU 38 CO 0.03 0.61 0.45 -0.07 0.09 0.00 0.00 178.44 179.55 2qqc h LEU 39 N 0.55 0.78 -1.34 1.67 3.38 -1.03 0.54 115.31 119.88 2qqc h LEU 39 Ca 0.14 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2qqc h LEU 39 Cb 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qqc h LEU 39 CO -0.01 0.57 -0.09 -1.13 0.09 0.00 0.00 178.44 177.86 2qqc h ASN 40 N 0.93 0.31 1.33 -0.43 -0.00 -0.59 -1.32 115.58 115.81 2qqc h ASN 40 Ca 0.25 -0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.49 2qqc h ASN 40 Cb -0.10 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.14 2qqc h ASN 40 CO -0.06 0.44 0.00 0.00 -0.00 0.00 0.00 177.43 177.82 2qqc h ALA 41 N 1.59 1.00 0.00 1.57 0.00 0.45 -3.44 119.26 120.43 2qqc h ALA 41 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qqc h ALA 41 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qqc h ALA 41 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2qqc n GLY 42 N 1.00 0.69 2.15 0.00 0.00 0.01 -4.49 105.19 104.55 2qqc n GLY 42 Ca 0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 2qqc n GLY 42 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qqc n ILE 43 N -2.52 1.09 0.92 -0.61 3.06 -0.20 -4.87 119.36 116.23 2qqc n ILE 43 Ca 0.00 -2.50 0.13 0.00 -2.50 0.00 0.00 62.75 57.88 2qqc n ILE 43 Cb 0.00 0.80 0.35 0.00 0.54 0.00 0.00 39.64 41.33 2qqc n ILE 43 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qqc n GLY 44 N -0.31 -1.36 1.28 4.50 0.00 -1.11 -4.02 105.19 104.17 2qqc n GLY 44 Ca 0.12 -0.25 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 2qqc n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qqc n ASN 45 N -1.63 3.62 -4.32 1.61 5.03 -1.26 -4.82 115.26 113.48 2qqc n ASN 45 Ca 0.06 -3.34 -0.17 0.00 0.87 0.00 0.00 54.58 51.99 2qqc n ASN 45 Cb 0.36 -0.63 -0.10 0.00 -1.02 0.00 0.00 39.78 38.38 2qqc n ASN 45 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2qqc s VAL 46 N -3.03 1.40 -0.38 2.41 -7.23 -1.26 -5.11 120.40 107.19 2qqc s VAL 46 Ca 0.47 -2.12 -0.20 0.00 -1.81 0.00 0.00 61.98 58.32 2qqc s VAL 46 Cb 0.39 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 35.25 2qqc s VAL 46 CO 0.07 -0.56 0.62 0.20 -0.31 0.00 0.00 175.10 175.12 2qqc s ASN 47 N -3.28 6.37 -0.11 4.85 0.01 -1.26 -5.03 114.94 116.49 2qqc s ASN 47 Ca 0.23 -0.05 -0.27 0.00 -0.71 0.00 0.00 52.86 52.06 2qqc s ASN 47 Cb 0.02 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.35 2qqc s ASN 47 CO 0.06 -0.64 0.89 -0.76 -1.51 0.00 0.00 177.10 175.14 2qqc s LEU 48 N 2.70 4.25 -0.43 0.60 1.43 -1.26 -5.00 118.68 120.97 2qqc s LEU 48 Ca 0.23 1.36 -0.12 0.00 -1.03 0.00 0.00 54.13 54.57 2qqc s LEU 48 Cb -0.14 -3.36 0.06 0.00 0.03 0.00 0.00 46.19 42.77 2qqc s LEU 48 CO 0.16 -0.35 0.30 -0.63 0.23 0.00 0.00 176.35 176.06 2qqc s ILE 49 N 1.71 4.69 0.08 -0.59 1.01 -1.26 -5.04 121.20 121.79 2qqc s ILE 49 Ca 0.43 -1.14 -0.31 0.00 0.00 0.00 0.00 60.65 59.64 2qqc s ILE 49 Cb -0.18 -3.78 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 2qqc s ILE 49 CO 0.17 -0.46 1.51 -0.60 0.00 0.00 0.00 174.94 175.55 2qqc s ARG 50 N 1.54 4.25 -0.09 2.79 3.52 -1.26 -5.00 118.95 124.70 2qqc s ARG 50 Ca 0.03 2.17 -0.04 0.00 -0.13 0.00 0.00 55.73 57.76 2qqc s ARG 50 Cb -0.22 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 2qqc s ARG 50 CO 0.05 -0.60 0.07 0.96 -0.81 0.00 0.00 175.30 174.97 2qqc s ILE 51 N 1.97 4.89 0.00 4.11 -4.36 -1.26 -5.31 121.20 121.25 2qqc s ILE 51 Ca 0.68 -0.06 0.00 0.00 -0.26 0.00 0.00 60.65 61.01 2qqc s ILE 51 Cb -0.37 -3.11 0.00 0.00 1.25 0.00 0.00 42.46 40.22 2qqc s ILE 51 CO 0.30 0.58 0.37 -1.54 0.24 0.00 0.00 174.94 174.89