#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zll n GLU 2 N 0.00 0.00 0.08 2.12 4.07 -1.26 -4.32 120.64 121.33 1zll n GLU 2 Ca 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.93 1zll n GLU 2 Cb 0.00 -1.44 -0.10 0.00 -0.06 0.00 0.00 31.44 29.84 1zll n GLU 2 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1zll h LYS 3 N 0.00 0.47 0.05 5.31 1.57 -2.05 -2.75 116.57 119.17 1zll h LYS 3 Ca 0.00 -0.61 -0.00 0.00 -1.87 0.00 0.00 60.65 58.17 1zll h LYS 3 Cb 0.00 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1zll h LYS 3 CO 0.00 1.24 -0.02 0.28 -0.57 0.00 0.00 179.45 180.38 1zll h VAL 4 N 0.22 1.08 -0.51 0.50 2.07 -2.00 -2.72 116.25 114.90 1zll h VAL 4 Ca -0.13 -1.61 0.15 0.00 0.82 0.00 0.00 66.70 65.93 1zll h VAL 4 Cb 1.79 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.51 1zll h VAL 4 CO 0.20 0.34 0.52 -0.61 0.02 0.00 0.00 177.57 178.04 1zll h GLN 5 N -0.93 0.00 0.10 1.57 4.15 -1.91 0.51 115.11 118.60 1zll h GLN 5 Ca -0.01 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.15 1zll h GLN 5 Cb 0.60 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1zll h GLN 5 CO 0.01 0.00 -1.16 -0.92 -1.93 0.00 0.00 178.83 174.83 1zll h TYR 6 N 0.00 0.48 0.07 3.99 3.20 -1.48 -2.50 116.97 120.73 1zll h TYR 6 Ca 0.24 -0.33 -0.14 0.00 3.14 0.00 0.00 58.73 61.64 1zll h TYR 6 Cb 1.28 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.52 1zll h TYR 6 CO 0.00 1.23 -0.68 -0.07 -1.64 0.00 0.00 178.16 176.99 1zll h LEU 7 N 0.10 0.25 -1.05 2.82 3.38 0.19 -2.26 115.31 118.73 1zll h LEU 7 Ca -0.11 -0.91 -0.04 0.00 0.09 0.00 0.00 57.88 56.90 1zll h LEU 7 Cb 1.87 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 1zll h LEU 7 CO 0.19 1.31 0.18 0.74 0.09 0.00 0.00 178.44 180.95 1zll h THR 8 N -0.64 1.22 -0.00 0.22 2.02 -0.82 -1.89 112.91 113.02 1zll h THR 8 Ca -0.14 -0.76 -0.14 0.00 0.77 0.00 0.00 66.41 66.14 1zll h THR 8 Cb 1.41 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1zll h THR 8 CO 0.05 0.29 -0.66 0.03 0.37 0.00 0.00 175.52 175.60 1zll h ARG 9 N 0.84 0.00 -0.09 6.66 2.47 -1.53 -2.46 114.38 120.27 1zll h ARG 9 Ca 0.19 -0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.82 1zll h ARG 9 Cb 0.24 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1zll h ARG 9 CO -0.01 0.66 -0.36 1.03 0.56 0.00 0.00 179.97 181.86 1zll h SER 10 N 0.00 0.19 0.13 7.04 0.87 -0.73 -2.41 113.55 118.64 1zll h SER 10 Ca -0.01 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1zll h SER 10 Cb 1.17 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1zll h SER 10 CO 0.09 0.54 -0.06 0.00 -0.53 0.00 0.00 176.83 176.87 1zll h ALA 11 N 1.47 -0.21 -0.48 6.23 0.00 -1.16 -2.42 119.26 122.70 1zll h ALA 11 Ca 0.02 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1zll h ALA 11 Cb 0.71 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1zll h ALA 11 CO 0.05 -0.20 0.72 0.82 0.00 0.00 0.00 179.25 180.64 1zll h ILE 12 N -0.80 0.15 0.22 0.00 2.04 -1.53 0.98 117.51 118.57 1zll h ILE 12 Ca -0.02 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.51 1zll h ILE 12 Cb 0.13 0.39 0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1zll h ILE 12 CO 0.03 0.00 -1.50 -0.09 0.00 0.00 0.00 178.15 176.59 1zll h ARG 13 N 0.00 0.47 -0.02 2.37 9.65 -1.45 -3.17 114.38 122.24 1zll h ARG 13 Ca 0.23 -0.81 0.00 0.00 -1.10 0.00 0.00 59.98 58.30 1zll h ARG 13 Cb 1.66 0.30 0.00 0.00 -1.39 0.00 0.00 29.97 30.54 1zll h ARG 13 CO -0.00 1.38 -0.17 2.89 2.80 0.00 0.00 179.97 186.87 1zll n ARG 14 N -3.66 1.47 -0.16 0.20 -4.01 0.19 -3.93 116.66 106.76 1zll n ARG 14 Ca -0.17 -1.03 0.07 0.00 -1.04 0.00 0.00 57.85 55.68 1zll n ARG 14 Cb 1.09 -1.48 0.16 0.00 -3.04 0.00 0.00 32.46 29.19 1zll n ARG 14 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1zll n ALA 15 N 0.13 2.27 1.19 2.89 0.00 0.28 -4.43 120.51 122.85 1zll n ALA 15 Ca 0.14 -1.04 0.08 0.00 0.00 0.00 0.00 53.44 52.62 1zll n ALA 15 Cb 0.42 -0.51 0.47 0.00 0.00 0.00 0.00 19.45 19.83 1zll n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zll n SER 16 N 0.73 0.00 -1.59 0.00 7.64 -1.20 -2.19 113.62 117.02 1zll n SER 16 Ca 0.13 -0.70 -0.12 0.00 1.01 0.00 0.00 58.87 59.19 1zll n SER 16 Cb 0.43 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.82 1zll n SER 16 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1zll n THR 17 N -0.91 2.81 -4.15 0.44 -2.24 -1.26 -4.97 114.28 103.99 1zll n THR 17 Ca 0.12 -2.51 -0.10 0.00 -2.27 0.00 0.00 64.05 59.29 1zll n THR 17 Cb 0.05 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 67.77 1zll n THR 17 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1zll s ILE 18 N -3.34 0.21 -0.44 2.28 1.01 -0.93 -5.12 121.20 114.87 1zll s ILE 18 Ca 0.50 -1.90 0.05 0.00 0.00 0.00 0.00 60.65 59.29 1zll s ILE 18 Cb 0.44 -1.96 0.17 0.00 0.01 0.00 0.00 42.46 41.12 1zll s ILE 18 CO 0.03 -0.57 0.47 -1.61 0.00 0.00 0.00 174.94 173.27 1zll s GLU 19 N -4.01 0.90 -0.04 2.79 2.02 -1.26 -5.10 118.70 114.00 1zll s GLU 19 Ca 0.21 -1.51 -0.15 0.00 0.02 0.00 0.00 54.97 53.54 1zll s GLU 19 Cb 0.07 -0.83 0.03 0.00 0.10 0.00 0.00 34.13 33.50 1zll s GLU 19 CO -0.00 -1.33 0.34 -1.64 0.02 0.00 0.00 175.26 172.65 1zll s MET 20 N 0.61 0.64 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.94 1zll s MET 20 Ca 0.29 -0.04 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 1zll s MET 20 Cb -0.02 0.29 0.00 0.00 2.01 0.00 0.00 34.83 37.11 1zll s MET 20 CO -0.11 -0.16 0.92 -0.35 -0.01 0.00 0.00 175.02 175.30 1zll n PRO 21 N 1.58 0.63 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.09 1zll n PRO 21 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1zll n PRO 21 Cb 0.56 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1zll n PRO 21 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1zll n GLN 22 N 1.15 0.00 -0.27 0.54 7.27 -1.26 -3.91 117.38 120.90 1zll n GLN 22 Ca 0.00 0.00 0.26 0.00 0.07 0.00 0.00 57.00 57.33 1zll n GLN 22 Cb 0.31 0.00 0.47 0.00 2.41 0.00 0.00 30.24 33.43 1zll n GLN 22 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1zll n GLN 23 N 0.00 -0.04 -0.01 3.69 6.02 -1.26 0.22 117.38 125.99 1zll n GLN 23 Ca 0.00 1.05 -0.09 0.00 -0.01 0.00 0.00 57.00 57.95 1zll n GLN 23 Cb 0.00 -1.92 0.06 0.00 1.02 0.00 0.00 30.24 29.40 1zll n GLN 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1zll h ALA 24 N 1.50 0.72 0.37 -1.58 0.00 -1.93 -1.37 119.26 116.97 1zll h ALA 24 Ca 0.66 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1zll h ALA 24 Cb 1.82 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1zll h ALA 24 CO -0.56 0.68 -0.37 -0.09 0.00 0.00 0.00 179.25 178.92 1zll h ARG 25 N 0.46 -0.73 0.41 0.00 2.43 0.23 0.24 114.38 117.41 1zll h ARG 25 Ca 0.02 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1zll h ARG 25 Cb 1.04 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1zll h ARG 25 CO 0.10 -0.49 -0.20 0.37 -1.51 0.00 0.00 179.97 178.24 1zll h GLN 26 N -0.76 -0.53 -0.87 0.20 4.15 -1.50 -2.50 115.11 113.30 1zll h GLN 26 Ca -0.03 0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.53 1zll h GLN 26 Cb 0.68 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.43 1zll h GLN 26 CO -0.06 -0.26 0.57 -0.22 -1.93 0.00 0.00 178.83 176.93 1zll h LYS 27 N -0.73 0.79 -0.00 1.69 3.64 -1.21 -2.71 116.57 118.03 1zll h LYS 27 Ca -0.06 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1zll h LYS 27 Cb 0.51 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1zll h LYS 27 CO 0.09 0.53 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.73 1zll h LEU 28 N 0.82 0.01 -0.24 5.20 3.38 -0.41 0.13 115.31 124.20 1zll h LEU 28 Ca 0.41 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1zll h LEU 28 Cb 0.48 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1zll h LEU 28 CO -0.18 0.41 -0.04 1.56 0.09 0.00 0.00 178.44 180.29 1zll h GLN 29 N -0.39 0.03 0.33 1.13 4.20 -1.14 0.67 115.11 119.93 1zll h GLN 29 Ca 0.00 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1zll h GLN 29 Cb 0.41 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1zll h GLN 29 CO 0.00 0.02 -0.16 -0.91 -0.67 0.00 0.00 178.83 177.11 1zll h ASN 30 N 0.03 -0.37 -0.84 1.46 2.35 -1.55 -2.63 115.58 114.02 1zll h ASN 30 Ca 0.11 -0.14 0.13 0.00 -0.55 0.00 0.00 56.30 55.85 1zll h ASN 30 Cb 0.16 0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 1zll h ASN 30 CO -0.22 0.09 0.55 -0.07 -1.65 0.00 0.00 177.43 176.13 1zll h LEU 31 N -1.00 0.62 0.62 1.61 -0.00 -0.70 -2.60 115.31 113.86 1zll h LEU 31 Ca -0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 1zll h LEU 31 Cb 0.49 -0.09 0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1zll h LEU 31 CO 0.07 0.33 -0.30 0.15 -0.00 0.00 0.00 178.44 178.70 1zll h PHE 32 N 0.67 -0.78 -0.78 1.13 3.57 0.36 0.13 116.94 121.23 1zll h PHE 32 Ca 0.41 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.99 1zll h PHE 32 Cb 0.66 0.26 -0.12 0.00 2.79 0.00 0.00 35.95 39.53 1zll h PHE 32 CO -0.00 -0.48 -0.49 0.82 -2.23 0.00 0.00 178.31 175.92 1zll h ILE 33 N -0.89 0.03 -0.97 1.41 2.04 -1.12 0.83 117.51 118.85 1zll h ILE 33 Ca -0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.87 1zll h ILE 33 Cb 0.64 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 1zll h ILE 33 CO 0.14 0.00 0.62 0.78 0.00 0.00 0.00 178.15 179.69 1zll h ASN 34 N -0.13 0.93 -0.47 1.72 2.35 -1.46 0.19 115.58 118.71 1zll h ASN 34 Ca 0.19 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1zll h ASN 34 Cb 0.52 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1zll h ASN 34 CO -0.82 0.55 0.18 0.15 -1.65 0.00 0.00 177.43 175.84 1zll h PHE 35 N 1.03 0.76 0.16 1.19 3.57 0.25 -2.70 116.94 121.20 1zll h PHE 35 Ca 0.44 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1zll h PHE 35 Cb 0.34 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1zll h PHE 35 CO -0.00 0.61 -0.08 0.00 -2.23 0.00 0.00 178.31 176.61 1zll h LEU 37 N -0.34 -0.54 -0.98 0.00 3.38 -1.05 0.27 115.31 116.05 1zll h LEU 37 Ca -0.02 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1zll h LEU 37 Cb 0.27 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1zll h LEU 37 CO 0.04 -0.19 -0.02 0.40 0.09 0.00 0.00 178.44 178.76 1zll h ILE 38 N -0.05 1.24 0.05 1.22 2.04 -1.31 -2.04 117.51 118.65 1zll h ILE 38 Ca 0.22 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1zll h ILE 38 Cb 0.38 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1zll h ILE 38 CO -0.49 0.34 -0.03 0.25 0.00 0.00 0.00 178.15 178.22 1zll h LEU 39 N 0.66 -0.06 -1.66 1.44 5.85 0.15 -2.19 115.31 119.51 1zll h LEU 39 Ca 0.13 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1zll h LEU 39 Cb 0.44 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1zll h LEU 39 CO 0.02 0.16 0.26 0.40 -0.34 0.00 0.00 178.44 178.94 1zll h ILE 40 N -0.28 1.05 0.16 4.05 2.04 -0.46 -1.61 117.51 122.46 1zll h ILE 40 Ca -0.01 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1zll h ILE 40 Cb 0.25 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1zll h ILE 40 CO 0.01 0.08 -0.08 0.00 0.00 0.00 0.00 178.15 178.17 1zll h LEU 42 N -0.28 0.00 0.27 0.00 4.07 -1.35 -1.41 115.31 116.62 1zll h LEU 42 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1zll h LEU 42 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1zll h LEU 42 CO 0.04 0.00 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.20 1zll h LEU 43 N 0.00 -0.31 -0.98 1.67 3.38 -0.98 -2.31 115.31 115.78 1zll h LEU 43 Ca 0.54 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.82 1zll h LEU 43 Cb 2.49 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 43.17 1zll h LEU 43 CO -0.01 -0.12 0.51 -0.07 0.09 0.00 0.00 178.44 178.84 1zll h LEU 44 N -0.56 0.45 -0.52 1.67 3.38 -0.48 0.53 115.31 119.77 1zll h LEU 44 Ca -0.04 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1zll h LEU 44 Cb 0.28 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1zll h LEU 44 CO 0.06 -0.10 0.32 0.40 0.09 0.00 0.00 178.44 179.21 1zll h ILE 45 N 0.35 1.16 0.47 1.22 2.04 -1.39 -1.72 117.51 119.64 1zll h ILE 45 Ca 0.69 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 66.18 1zll h ILE 45 Cb 1.50 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1zll h ILE 45 CO -0.59 0.16 -0.48 0.00 0.00 0.00 0.00 178.15 177.24 1zll h ILE 47 N -0.96 0.35 0.22 0.00 2.04 -1.24 -0.69 117.51 117.22 1zll h ILE 47 Ca -0.05 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1zll h ILE 47 Cb 0.84 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1zll h ILE 47 CO -0.07 0.01 -0.24 0.40 0.00 0.00 0.00 178.15 178.24 1zll h ILE 48 N 0.04 0.47 -0.70 -0.67 2.04 -0.72 -0.63 117.51 117.35 1zll h ILE 48 Ca 0.34 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.41 1zll h ILE 48 Cb 0.55 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1zll h ILE 48 CO -0.67 0.00 0.67 0.58 0.00 0.00 0.00 178.15 178.73 1zll h VAL 49 N -0.51 0.33 0.10 1.67 2.07 0.38 0.20 116.25 120.50 1zll h VAL 49 Ca 0.00 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.25 1zll h VAL 49 Cb 0.48 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1zll h VAL 49 CO -0.07 0.00 -1.26 0.24 0.02 0.00 0.00 177.57 176.50 1zll h MET 50 N 0.00 0.22 -0.10 1.57 2.86 -0.37 -3.29 114.93 115.81 1zll h MET 50 Ca 0.33 -0.37 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 1zll h MET 50 Cb 1.67 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.45 1zll h MET 50 CO -0.00 1.15 -0.55 -0.07 1.06 0.00 0.00 176.91 178.50 1zll h LEU 51 N 0.06 0.34 0.00 1.22 3.38 -0.04 -3.52 115.31 116.76 1zll h LEU 51 Ca -0.13 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1zll h LEU 51 Cb 1.95 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1zll h LEU 51 CO 0.18 0.83 0.00 0.18 0.09 0.00 0.00 178.44 179.72