#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qqp n GLY 16 N 0.00 -1.24 2.92 0.46 0.00 -1.26 -4.38 105.19 101.69 1qqp n GLY 16 Ca 0.00 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 1qqp n GLY 16 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qqp n ASN 17 N 0.18 5.92 -4.02 1.61 4.05 -1.26 -4.96 115.26 116.78 1qqp n ASN 17 Ca 0.00 -3.40 -0.20 0.00 0.45 0.00 0.00 54.58 51.43 1qqp n ASN 17 Cb 0.00 -1.17 -0.15 0.00 1.23 0.00 0.00 39.78 39.69 1qqp n ASN 17 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1qqp s THR 18 N -2.66 0.81 -0.03 -0.44 2.01 -1.26 -5.08 115.64 108.99 1qqp s THR 18 Ca 0.32 -0.40 0.23 0.00 0.31 0.00 0.00 61.69 62.16 1qqp s THR 18 Cb 0.06 -0.71 0.40 0.00 0.01 0.00 0.00 72.50 72.26 1qqp s THR 18 CO 0.08 0.25 1.15 0.61 -0.69 0.00 0.00 174.62 176.02 1qqp n GLY 19 N 3.12 1.03 3.83 4.40 0.00 -1.26 -4.76 105.19 111.56 1qqp n GLY 19 Ca -0.17 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1qqp n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qqp s SER 20 N -2.06 6.93 0.07 1.61 0.01 -1.26 -4.98 113.70 114.01 1qqp s SER 20 Ca 0.30 1.16 0.18 0.00 1.31 0.00 0.00 55.95 58.90 1qqp s SER 20 Cb 0.35 -2.32 -0.13 0.00 0.21 0.00 0.00 66.02 64.13 1qqp s SER 20 CO -0.14 0.17 0.82 2.30 0.41 0.00 0.00 173.24 176.79 1qqp n ILE 21 N 1.18 1.09 -3.30 1.44 -5.35 -1.26 -4.91 119.36 108.26 1qqp n ILE 21 Ca -0.07 -0.67 -0.35 0.00 -0.27 0.00 0.00 62.75 61.38 1qqp n ILE 21 Cb 0.51 -0.66 -0.06 0.00 -1.74 0.00 0.00 39.64 37.69 1qqp n ILE 21 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 1qqp s ILE 22 N -2.98 4.79 0.26 7.28 -5.25 -1.26 -5.02 121.20 119.02 1qqp s ILE 22 Ca -0.03 0.93 -0.28 0.00 -0.99 0.00 0.00 60.65 60.28 1qqp s ILE 22 Cb 0.09 -3.76 -0.15 0.00 2.95 0.00 0.00 42.46 41.59 1qqp s ILE 22 CO 0.81 0.23 0.86 0.59 -1.79 0.00 0.00 174.94 175.64 1qqp n ASN 23 N 0.77 0.50 -4.77 4.36 3.02 -1.26 -4.92 115.26 112.96 1qqp n ASN 23 Ca -0.05 1.16 -0.41 0.00 -0.03 0.00 0.00 54.58 55.26 1qqp n ASN 23 Cb 0.52 -1.18 -0.01 0.00 -0.61 0.00 0.00 39.78 38.49 1qqp n ASN 23 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1qqp s ASN 24 N -0.69 6.59 0.46 6.41 3.04 -1.26 -4.90 114.94 124.58 1qqp s ASN 24 Ca 0.60 2.84 0.22 0.00 0.04 0.00 0.00 52.86 56.56 1qqp s ASN 24 Cb -0.77 -2.66 1.10 0.00 -1.54 0.00 0.00 41.25 37.39 1qqp s ASN 24 CO 0.59 -0.68 1.94 0.22 -3.04 0.00 0.00 177.10 176.12 1qqp h TYR 25 N 3.31 0.00 -3.00 0.43 3.20 -2.07 -3.44 116.97 115.41 1qqp h TYR 25 Ca -0.50 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 60.74 1qqp h TYR 25 Cb 1.23 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.43 1qqp h TYR 25 CO 0.55 0.22 -0.54 0.71 -1.64 0.00 0.00 178.16 177.46 1qqp s TYR 26 N -4.04 3.39 0.68 -3.82 2.02 -1.26 -5.09 117.35 109.23 1qqp s TYR 26 Ca -0.02 0.22 -0.16 0.00 -0.37 0.00 0.00 57.07 56.74 1qqp s TYR 26 Cb 0.13 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.96 1qqp s TYR 26 CO 0.64 0.58 1.22 -1.64 -1.57 0.00 0.00 175.55 174.78 1qqp s MET 27 N -2.12 2.43 0.34 -0.62 -1.94 -1.26 -4.74 119.30 111.39 1qqp s MET 27 Ca 0.28 1.83 0.04 0.00 -1.71 0.00 0.00 55.69 56.13 1qqp s MET 27 Cb -0.12 -1.86 0.67 0.00 2.01 0.00 0.00 34.83 35.53 1qqp s MET 27 CO 0.20 -1.63 1.94 0.37 -0.01 0.00 0.00 175.02 175.89 1qqp h GLN 28 N 0.15 0.82 -0.15 2.03 4.15 -1.96 0.36 115.11 120.51 1qqp h GLN 28 Ca -0.49 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 58.93 1qqp h GLN 28 Cb 1.30 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 1qqp h GLN 28 CO 0.52 0.54 0.17 0.37 -1.93 0.00 0.00 178.83 178.50 1qqp h GLN 29 N 0.85 0.00 0.00 1.69 4.15 -1.91 -1.98 115.11 117.91 1qqp h GLN 29 Ca 0.34 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.39 1qqp h GLN 29 Cb 0.26 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.88 1qqp h GLN 29 CO -0.12 0.00 -2.41 0.66 -1.93 0.00 0.00 178.83 175.03 1qqp n TYR 30 N -3.79 0.00 -0.19 3.99 4.02 -0.05 -4.65 117.16 116.48 1qqp n TYR 30 Ca 0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.86 1qqp n TYR 30 Cb 0.29 -0.96 0.15 0.00 -0.02 0.00 0.00 39.34 38.80 1qqp n TYR 30 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1qqp h GLN 31 N 0.00 0.97 -4.69 -0.72 5.75 -0.80 -3.46 115.11 112.16 1qqp h GLN 31 Ca -0.55 -0.19 -0.27 0.00 -0.15 0.00 0.00 58.65 57.49 1qqp h GLN 31 Cb 1.89 -0.15 -0.15 0.00 1.07 0.00 0.00 27.48 30.14 1qqp h GLN 31 CO -0.08 0.83 -0.64 -0.80 -2.65 0.00 0.00 178.83 175.49 1qqp s ASN 32 N -6.50 0.76 0.65 -0.69 -0.87 -0.77 -5.09 114.94 102.44 1qqp s ASN 32 Ca -0.11 -1.29 -0.13 0.00 -1.57 0.00 0.00 52.86 49.76 1qqp s ASN 32 Cb 0.16 0.23 -0.01 0.00 -0.02 0.00 0.00 41.25 41.61 1qqp s ASN 32 CO 0.82 -0.71 1.06 -0.94 -2.57 0.00 0.00 177.10 174.76 1qqp s SER 33 N -3.18 5.46 -0.18 -1.22 1.04 -1.26 -4.57 113.70 109.79 1qqp s SER 33 Ca 0.31 1.75 -0.07 0.00 0.48 0.00 0.00 55.95 58.42 1qqp s SER 33 Cb 0.07 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1qqp s SER 33 CO 0.08 -1.39 0.06 -0.04 0.98 0.00 0.00 173.24 172.94 1qqp s MET 34 N -4.54 3.97 0.38 4.02 1.00 -1.26 -5.02 119.30 117.85 1qqp s MET 34 Ca 0.61 -0.33 -0.19 0.00 0.00 0.00 0.00 55.69 55.78 1qqp s MET 34 Cb -0.16 -3.22 -0.10 0.00 0.00 0.00 0.00 34.83 31.36 1qqp s MET 34 CO 0.46 0.29 0.87 -0.51 0.00 0.00 0.00 175.02 176.13 1qqp s ASP 35 N 0.32 6.89 0.30 3.03 -0.00 -1.26 -5.08 116.67 120.86 1qqp s ASP 35 Ca 0.04 1.53 0.09 0.00 -0.00 0.00 0.00 52.55 54.21 1qqp s ASP 35 Cb -0.12 -2.48 -0.06 0.00 -0.00 0.00 0.00 42.92 40.26 1qqp s ASP 35 CO 0.00 -0.29 -0.10 0.42 -0.00 0.00 0.00 175.17 175.20 1qqp s THR 36 N -2.08 2.03 0.09 -1.27 -4.23 -1.26 -5.15 115.64 103.76 1qqp s THR 36 Ca 0.58 -2.21 0.08 0.00 -1.18 0.00 0.00 61.69 58.97 1qqp s THR 36 Cb -0.10 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.24 1qqp s THR 36 CO 0.15 -0.30 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.62 1qqp s GLN 37 N -3.64 1.19 0.17 3.99 -1.52 -1.26 -5.14 119.66 113.46 1qqp s GLN 37 Ca 0.30 -1.14 0.06 0.00 -1.95 0.00 0.00 55.36 52.63 1qqp s GLN 37 Cb 0.01 -1.45 -0.04 0.00 -0.22 0.00 0.00 33.01 31.31 1qqp s GLN 37 CO 0.14 0.34 0.08 -1.17 -0.25 0.00 0.00 175.29 174.43 1qqp s LEU 38 N -1.80 3.59 0.00 2.90 2.96 -1.26 -5.37 118.68 119.70 1qqp s LEU 38 Ca 0.07 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1qqp s LEU 38 Cb -0.10 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.38 1qqp s LEU 38 CO 0.04 0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 1qqp n GLY 39 N -0.27 0.40 0.00 7.98 0.00 -1.26 -5.37 105.19 106.67 1qqp n GLY 39 Ca -0.09 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1qqp n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qqp n ASN 65 N 1.15 0.00 -4.34 1.61 2.85 -1.26 -5.31 115.26 109.96 1qqp n ASN 65 Ca 0.00 0.00 -0.46 0.00 -0.11 0.00 0.00 54.58 54.01 1qqp n ASN 65 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1qqp n ASN 65 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1qqp s ASP 66 N 0.00 6.62 0.16 1.20 -1.08 -1.26 -4.92 116.67 117.39 1qqp s ASP 66 Ca 0.00 -2.38 -0.15 0.00 -0.52 0.00 0.00 52.55 49.50 1qqp s ASP 66 Cb 0.00 -2.24 0.09 0.00 -1.46 0.00 0.00 42.92 39.31 1qqp s ASP 66 CO 0.00 -0.72 1.75 -0.25 0.52 0.00 0.00 175.17 176.48 1qqp h TRP 67 N 8.18 0.26 0.00 -5.34 2.91 -2.05 -2.39 115.95 117.52 1qqp h TRP 67 Ca 0.02 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.99 1qqp h TRP 67 Cb 1.05 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.63 1qqp h TRP 67 CO 0.99 0.10 -0.35 0.74 -1.03 0.00 0.00 178.44 178.90 1qqp h PHE 68 N 0.31 0.00 -0.33 2.65 0.04 -1.99 -0.24 116.94 117.38 1qqp h PHE 68 Ca 0.18 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.86 1qqp h PHE 68 Cb 0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1qqp h PHE 68 CO -0.15 0.35 -0.16 1.03 -0.60 0.00 0.00 178.31 178.78 1qqp h SER 69 N 0.00 0.72 -0.49 2.17 0.87 -1.92 -0.75 113.55 114.14 1qqp h SER 69 Ca -0.00 -0.41 -0.06 0.00 -1.23 0.00 0.00 61.79 60.09 1qqp h SER 69 Cb 0.83 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 1qqp h SER 69 CO 0.05 0.97 0.08 0.11 -0.53 0.00 0.00 176.83 177.50 1qqp h LYS 70 N 0.47 0.81 -0.36 2.24 1.57 -0.99 -1.53 116.57 118.77 1qqp h LYS 70 Ca 0.07 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1qqp h LYS 70 Cb 0.70 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1qqp h LYS 70 CO 0.05 0.81 0.23 1.25 -0.57 0.00 0.00 179.45 181.22 1qqp h LEU 71 N 0.68 0.42 -0.64 2.94 5.85 -0.91 -1.12 115.31 122.54 1qqp h LEU 71 Ca 0.15 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1qqp h LEU 71 Cb 0.39 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1qqp h LEU 71 CO 0.01 0.32 0.14 0.00 -0.34 0.00 0.00 178.44 178.57 1qqp h ALA 72 N 1.12 0.84 0.00 1.25 0.00 -1.03 -2.71 119.26 118.74 1qqp h ALA 72 Ca 0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1qqp h ALA 72 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1qqp h ALA 72 CO -0.03 0.57 -0.21 0.77 0.00 0.00 0.00 179.25 180.36 1qqp h SER 73 N 0.95 0.00 0.48 0.00 0.02 -0.98 -2.48 113.55 111.55 1qqp h SER 73 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1qqp h SER 73 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1qqp h SER 73 CO 0.01 0.21 0.00 -1.54 -1.14 0.00 0.00 176.83 174.36 1qqp n SER 74 N -4.13 0.00 -4.69 3.07 3.41 -0.45 -4.93 113.62 105.90 1qqp n SER 74 Ca -0.02 -0.25 -0.42 0.00 -0.26 0.00 0.00 58.87 57.92 1qqp n SER 74 Cb 0.28 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1qqp n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qqp n ALA 75 N -1.25 1.16 -2.46 7.33 0.00 -0.94 -4.93 120.51 119.43 1qqp n ALA 75 Ca 0.15 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 1qqp n ALA 75 Cb 0.22 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 1qqp n ALA 75 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1qqp s PHE 76 N -1.11 3.38 -0.01 0.00 5.36 -1.26 -4.90 117.98 119.44 1qqp s PHE 76 Ca 0.56 1.31 0.01 0.00 -0.96 0.00 0.00 56.93 57.85 1qqp s PHE 76 Cb -0.57 -3.40 0.02 0.00 -0.34 0.00 0.00 43.02 38.73 1qqp s PHE 76 CO 0.61 -1.19 0.88 0.43 -1.46 0.00 0.00 175.22 174.49 1qqp n SER 77 N 4.28 1.45 0.00 6.13 7.64 -1.26 -5.06 113.62 126.80 1qqp n SER 77 Ca 0.09 -1.79 0.00 0.00 1.01 0.00 0.00 58.87 58.18 1qqp n SER 77 Cb 0.47 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1qqp n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qqp n GLY 78 N -0.41 1.13 2.86 0.23 0.00 -1.26 -5.11 105.19 102.63 1qqp n GLY 78 Ca 0.01 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 1qqp n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qqp s LEU 79 N 0.00 0.79 0.43 0.99 2.96 -1.26 -5.10 118.68 117.49 1qqp s LEU 79 Ca 0.00 0.21 0.24 0.00 -0.22 0.00 0.00 54.13 54.36 1qqp s LEU 79 Cb 0.00 0.21 0.60 0.00 0.50 0.00 0.00 46.19 47.50 1qqp s LEU 79 CO 0.00 -0.15 1.69 0.15 -1.32 0.00 0.00 176.35 176.73 1qqp h PHE 80 N 7.33 0.00 -0.32 5.38 3.04 -2.03 -3.48 116.94 126.86 1qqp h PHE 80 Ca -0.42 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1qqp h PHE 80 Cb 1.13 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.64 1qqp h PHE 80 CO 0.46 0.14 0.00 0.41 -2.02 0.00 0.00 178.31 177.30 1qqp n GLY 81 N 0.73 5.22 3.84 2.40 0.00 -1.26 -5.13 105.19 110.99 1qqp n GLY 81 Ca 0.02 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 1qqp n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qqp s ALA 82 N -2.00 3.46 -0.11 4.61 0.00 -1.26 -5.08 121.76 121.38 1qqp s ALA 82 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 1qqp s ALA 82 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 1qqp s ALA 82 CO 0.00 0.38 -0.09 -1.17 0.00 0.00 0.00 175.76 174.88 1qqp s LEU 83 N -2.26 2.97 -0.10 0.00 2.96 -1.26 -5.11 118.68 115.89 1qqp s LEU 83 Ca 0.44 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1qqp s LEU 83 Cb -0.14 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 44.88 1qqp s LEU 83 CO 0.20 0.25 -0.24 -0.22 -1.32 0.00 0.00 176.35 175.01 1qqp s LEU 84 N -0.11 2.11 0.00 -0.68 2.96 -1.26 -5.30 118.68 116.40 1qqp s LEU 84 Ca 0.00 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 1qqp s LEU 84 Cb -0.13 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.14 1qqp s LEU 84 CO 0.03 0.17 0.00 0.00 -1.32 0.00 0.00 176.35 175.23