#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 0.06 2.12 2.13 -1.26 -4.35 120.64 119.34 1zll n GLU 2 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 1zll n GLU 2 Cb 0.00 -1.19 -0.05 0.00 0.27 0.00 0.00 31.44 30.48 1zll n GLU 2 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1zll h LYS 3 N 0.00 0.47 0.02 5.31 1.57 -2.05 -2.72 116.57 119.17 1zll h LYS 3 Ca 0.00 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1zll h LYS 3 Cb 0.00 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1zll h LYS 3 CO 0.00 1.13 -0.01 0.28 -0.57 0.00 0.00 179.45 180.27 1zll h VAL 4 N 0.27 1.03 -0.58 0.50 2.07 -2.00 -2.63 116.25 114.91 1zll h VAL 4 Ca -0.08 -1.69 0.17 0.00 0.82 0.00 0.00 66.70 65.91 1zll h VAL 4 Cb 1.55 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1zll h VAL 4 CO 0.16 0.34 0.59 1.56 0.02 0.00 0.00 177.57 180.24 1zll h GLN 5 N -0.98 0.00 0.22 1.57 1.08 -1.91 0.35 115.11 115.44 1zll h GLN 5 Ca -0.00 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.87 1zll h GLN 5 Cb 0.58 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.04 1zll h GLN 5 CO 0.01 0.00 -1.42 -0.92 -0.95 0.00 0.00 178.83 175.54 1zll h TYR 6 N 0.00 0.93 -0.01 2.96 3.20 -1.48 -2.48 116.97 120.08 1zll h TYR 6 Ca 0.27 -0.67 -0.06 0.00 3.14 0.00 0.00 58.73 61.42 1zll h TYR 6 Cb 1.46 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.69 1zll h TYR 6 CO 0.00 1.52 -0.24 -0.07 -1.64 0.00 0.00 178.16 177.73 1zll h LEU 7 N 0.16 0.23 -0.77 2.82 4.07 -0.09 -1.94 115.31 119.79 1zll h LEU 7 Ca -0.23 -0.74 -0.05 0.00 0.08 0.00 0.00 57.88 56.94 1zll h LEU 7 Cb 2.11 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 43.75 1zll h LEU 7 CO 0.26 0.94 0.29 0.71 -1.08 0.00 0.00 178.44 179.56 1zll h THR 8 N -0.45 1.26 -0.06 0.22 1.35 -0.83 -1.93 112.91 112.48 1zll h THR 8 Ca -0.03 -0.85 -0.09 0.00 -0.55 0.00 0.00 66.41 64.89 1zll h THR 8 Cb 0.96 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1zll h THR 8 CO 0.05 0.34 -0.40 -0.09 -0.25 0.00 0.00 175.52 175.17 1zll h ARG 9 N 1.13 0.12 -0.09 4.72 2.43 -1.51 -2.37 114.38 118.80 1zll h ARG 9 Ca 0.26 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1zll h ARG 9 Cb 0.24 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1zll h ARG 9 CO -0.02 0.50 -0.33 0.77 -1.51 0.00 0.00 179.97 179.39 1zll h SER 10 N 0.10 0.18 0.11 -3.80 0.02 -0.59 -2.41 113.55 107.17 1zll h SER 10 Ca 0.01 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1zll h SER 10 Cb 0.75 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1zll h SER 10 CO 0.06 0.51 -0.05 0.00 -1.14 0.00 0.00 176.83 176.20 1zll h ALA 11 N 1.50 -0.19 -0.45 3.77 0.00 -1.08 -2.41 119.26 120.41 1zll h ALA 11 Ca 0.02 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1zll h ALA 11 Cb 0.67 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1zll h ALA 11 CO 0.05 -0.18 0.72 0.82 0.00 0.00 0.00 179.25 180.66 1zll h ILE 12 N -0.79 0.14 0.23 0.00 2.04 -1.52 0.95 117.51 118.55 1zll h ILE 12 Ca -0.02 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.51 1zll h ILE 12 Cb 0.12 0.38 0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1zll h ILE 12 CO 0.03 0.00 -1.55 -0.09 0.00 0.00 0.00 178.15 176.54 1zll h ARG 13 N 0.00 0.48 -0.02 2.37 2.43 -1.45 -3.18 114.38 115.01 1zll h ARG 13 Ca 0.21 -0.82 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 1zll h ARG 13 Cb 1.65 0.30 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 1zll h ARG 13 CO -0.00 1.39 -0.13 2.89 -1.51 0.00 0.00 179.97 182.60 1zll n ARG 14 N -3.66 1.52 -0.17 0.20 1.85 0.18 -3.92 116.66 112.66 1zll n ARG 14 Ca -0.18 -1.04 0.06 0.00 -1.00 0.00 0.00 57.85 55.69 1zll n ARG 14 Cb 1.09 -1.48 0.16 0.00 -1.05 0.00 0.00 32.46 31.18 1zll n ARG 14 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1zll n ALA 15 N 0.16 2.25 1.31 2.89 0.00 0.27 -4.43 120.51 122.97 1zll n ALA 15 Ca 0.15 -1.07 0.08 0.00 0.00 0.00 0.00 53.44 52.60 1zll n ALA 15 Cb 0.42 -0.49 0.50 0.00 0.00 0.00 0.00 19.45 19.88 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 0.67 0.00 -1.61 0.00 7.64 -1.20 -2.25 113.62 116.86 1zll n SER 16 Ca 0.12 -0.79 -0.13 0.00 1.01 0.00 0.00 58.87 59.08 1zll n SER 16 Cb 0.43 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.90 2.83 -4.14 0.44 -2.24 -1.26 -4.97 114.28 104.04 1zll n THR 17 Ca 0.13 -2.59 -0.09 0.00 -2.27 0.00 0.00 64.05 59.23 1zll n THR 17 Cb 0.06 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 67.73 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 -3.43 0.13 -0.45 2.28 1.01 -0.96 -5.12 121.20 114.67 1zll s ILE 18 Ca 0.50 -1.89 0.05 0.00 0.00 0.00 0.00 60.65 59.31 1zll s ILE 18 Cb 0.44 -1.93 0.18 0.00 0.01 0.00 0.00 42.46 41.16 1zll s ILE 18 CO 0.03 -0.59 0.49 -1.61 0.00 0.00 0.00 174.94 173.26 1zll s GLU 19 N -4.02 0.94 -0.03 2.79 2.02 -1.26 -5.10 118.70 114.03 1zll s GLU 19 Ca 0.20 -1.57 -0.14 0.00 0.02 0.00 0.00 54.97 53.49 1zll s GLU 19 Cb 0.08 -0.82 0.02 0.00 0.10 0.00 0.00 34.13 33.51 1zll s GLU 19 CO -0.01 -1.34 0.30 -1.64 0.02 0.00 0.00 175.26 172.58 1zll s MET 20 N 0.53 0.60 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.82 1zll s MET 20 Ca 0.30 -0.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 1zll s MET 20 Cb 0.00 0.27 0.00 0.00 2.01 0.00 0.00 34.83 37.11 1zll s MET 20 CO -0.12 -0.15 0.83 -0.35 -0.01 0.00 0.00 175.02 175.22 1zll n PRO 21 N 1.57 0.60 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.06 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 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.08 0.00 -0.23 0.54 -0.06 -1.26 -3.92 117.38 113.52 1zll n GLN 22 Ca 0.00 0.00 0.22 0.00 -2.00 0.00 0.00 57.00 55.22 1zll n GLN 22 Cb 0.30 0.00 0.41 0.00 -4.06 0.00 0.00 30.24 26.89 1zll n GLN 22 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1zll n GLN 23 N 0.00 -0.04 -0.05 3.69 1.13 -1.26 0.21 117.38 121.06 1zll n GLN 23 Ca 0.00 1.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.96 1zll n GLN 23 Cb 0.00 -1.78 0.05 0.00 0.11 0.00 0.00 30.24 28.62 1zll n GLN 23 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1zll h ALA 24 N 1.44 0.73 0.31 -1.58 0.00 -1.93 -1.35 119.26 116.88 1zll h ALA 24 Ca 0.60 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1zll h ALA 24 Cb 1.58 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1zll h ALA 24 CO -0.56 0.66 -0.40 -0.09 0.00 0.00 0.00 179.25 178.86 1zll h ARG 25 N 0.57 -0.73 0.49 0.00 2.43 0.22 0.24 114.38 117.60 1zll h ARG 25 Ca 0.04 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1zll h ARG 25 Cb 0.95 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1zll h ARG 25 CO 0.09 -0.48 -0.23 0.37 -1.51 0.00 0.00 179.97 178.20 1zll h GLN 26 N -0.75 -0.63 -0.88 0.20 5.75 -1.49 -2.49 115.11 114.81 1zll h GLN 26 Ca -0.02 0.04 0.14 0.00 -0.15 0.00 0.00 58.65 58.67 1zll h GLN 26 Cb 0.70 0.14 -0.07 0.00 1.07 0.00 0.00 27.48 29.33 1zll h GLN 26 CO -0.12 -0.35 0.57 0.87 -2.65 0.00 0.00 178.83 177.16 1zll h LYS 27 N -0.83 0.67 0.00 1.69 6.56 -1.21 -2.69 116.57 120.75 1zll h LYS 27 Ca -0.07 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.48 1zll h LYS 27 Cb 0.58 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1zll h LYS 27 CO 0.11 0.44 -0.00 -0.07 -2.06 0.00 0.00 179.45 177.87 1zll h LEU 28 N 0.69 -0.00 -0.24 2.94 4.07 -0.39 0.11 115.31 122.48 1zll h LEU 28 Ca 0.44 -0.48 0.05 0.00 0.08 0.00 0.00 57.88 57.97 1zll h LEU 28 Cb 0.71 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.40 1zll h LEU 28 CO -0.20 0.48 -0.06 1.56 -1.08 0.00 0.00 178.44 179.13 1zll h GLN 29 N -0.48 -0.01 0.36 1.13 1.08 -1.13 0.69 115.11 116.75 1zll h GLN 29 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1zll h GLN 29 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1zll h GLN 29 CO 0.00 -0.00 -0.17 -0.97 -0.95 0.00 0.00 178.83 176.73 1zll h ASN 30 N -0.01 -0.41 -0.89 1.46 -0.73 -1.56 -2.62 115.58 110.82 1zll h ASN 30 Ca 0.12 -0.10 0.15 0.00 1.87 0.00 0.00 56.30 58.33 1zll h ASN 30 Cb 0.19 0.11 -0.07 0.00 0.27 0.00 0.00 38.32 38.81 1zll h ASN 30 CO -0.25 0.04 0.58 -0.07 -0.37 0.00 0.00 177.43 177.35 1zll h LEU 31 N -1.03 0.64 0.64 0.34 3.38 -0.74 -2.59 115.31 115.95 1zll h LEU 31 Ca -0.05 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1zll h LEU 31 Cb 0.49 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1zll h LEU 31 CO 0.08 0.32 -0.31 0.15 0.09 0.00 0.00 178.44 178.77 1zll h PHE 32 N 0.67 -0.80 -0.77 1.13 3.57 0.40 0.12 116.94 121.26 1zll h PHE 32 Ca 0.45 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.03 1zll h PHE 32 Cb 0.76 0.26 -0.12 0.00 2.79 0.00 0.00 35.95 39.65 1zll h PHE 32 CO -0.00 -0.50 -0.49 0.82 -2.23 0.00 0.00 178.31 175.91 1zll h ILE 33 N -0.91 0.03 -0.95 1.41 2.04 -1.10 0.85 117.51 118.89 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 0.66 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 1zll h ILE 33 CO 0.14 0.00 0.61 0.78 0.00 0.00 0.00 178.15 179.69 1zll h ASN 34 N -0.14 0.90 -0.41 1.72 2.35 -1.46 0.20 115.58 118.74 1zll h ASN 34 Ca 0.19 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1zll h ASN 34 Cb 0.53 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1zll h ASN 34 CO -0.81 0.53 0.13 0.15 -1.65 0.00 0.00 177.43 175.77 1zll h PHE 35 N 0.99 0.72 0.16 1.19 3.04 0.25 -2.71 116.94 120.59 1zll h PHE 35 Ca 0.44 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.33 1zll h PHE 35 Cb 0.36 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1zll h PHE 35 CO -0.00 0.61 -0.08 0.00 -2.02 0.00 0.00 178.31 176.82 1zll h LEU 37 N -0.34 -0.62 -1.03 0.00 3.38 -1.05 0.27 115.31 115.90 1zll h LEU 37 Ca -0.02 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1zll h LEU 37 Cb 0.27 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1zll h LEU 37 CO 0.04 -0.21 0.08 0.40 0.09 0.00 0.00 178.44 178.83 1zll h ILE 38 N -0.10 1.22 0.02 1.22 2.04 -1.33 -2.01 117.51 118.58 1zll h ILE 38 Ca 0.20 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1zll h ILE 38 Cb 0.41 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1zll h ILE 38 CO -0.48 0.31 -0.01 0.25 0.00 0.00 0.00 178.15 178.22 1zll h LEU 39 N 0.74 -0.02 -1.65 1.44 5.85 0.15 -2.16 115.31 119.66 1zll h LEU 39 Ca 0.16 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1zll h LEU 39 Cb 0.34 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1zll h LEU 39 CO 0.01 0.19 0.24 0.40 -0.34 0.00 0.00 178.44 178.93 1zll h ILE 40 N -0.23 1.09 0.21 4.05 2.04 -0.44 -1.63 117.51 122.60 1zll h ILE 40 Ca -0.00 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1zll h ILE 40 Cb 0.22 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1zll h ILE 40 CO 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 178.15 178.14 1zll h LEU 42 N -0.35 0.00 0.27 0.00 4.07 -1.34 -1.50 115.31 116.46 1zll h LEU 42 Ca -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1zll h LEU 42 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1zll h LEU 42 CO 0.05 0.00 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.21 1zll h LEU 43 N 0.00 -0.31 -0.98 1.67 3.38 -0.98 -2.29 115.31 115.80 1zll h LEU 43 Ca 0.48 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.75 1zll h LEU 43 Cb 2.24 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 42.93 1zll h LEU 43 CO -0.01 -0.13 0.50 -0.07 0.09 0.00 0.00 178.44 178.83 1zll h LEU 44 N -0.55 0.43 -0.52 1.67 3.38 -0.50 0.53 115.31 119.76 1zll h LEU 44 Ca -0.04 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1zll h LEU 44 Cb 0.28 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1zll h LEU 44 CO 0.06 -0.11 0.31 0.40 0.09 0.00 0.00 178.44 179.19 1zll h ILE 45 N 0.33 1.16 0.45 1.22 2.04 -1.39 -1.71 117.51 119.61 1zll h ILE 45 Ca 0.69 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 1zll h ILE 45 Cb 1.50 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1zll h ILE 45 CO -0.60 0.16 -0.48 0.00 0.00 0.00 0.00 178.15 177.22 1zll h ILE 47 N -0.95 0.34 0.22 0.00 2.04 -1.24 -0.71 117.51 117.20 1zll h ILE 47 Ca -0.05 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1zll h ILE 47 Cb 0.84 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1zll h ILE 47 CO -0.08 0.00 -0.26 0.40 0.00 0.00 0.00 178.15 178.22 1zll h ILE 48 N 0.02 0.45 -0.69 -0.67 2.04 -0.72 -0.55 117.51 117.39 1zll h ILE 48 Ca 0.34 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.40 1zll h ILE 48 Cb 0.53 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1zll h ILE 48 CO -0.67 0.00 0.68 0.58 0.00 0.00 0.00 178.15 178.73 1zll h VAL 49 N -0.52 0.31 0.11 1.67 2.07 0.38 0.19 116.25 120.45 1zll h VAL 49 Ca 0.00 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.25 1zll h VAL 49 Cb 0.50 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1zll h VAL 49 CO -0.08 0.00 -1.31 0.24 0.02 0.00 0.00 177.57 176.44 1zll h MET 50 N 0.00 0.23 0.00 1.57 2.86 -0.36 -3.28 114.93 115.95 1zll h MET 50 Ca 0.33 -0.39 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 1zll h MET 50 Cb 1.68 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 33.47 1zll h MET 50 CO -0.00 1.15 -0.49 -0.07 1.06 0.00 0.00 176.91 178.55 1zll h LEU 51 N 0.06 0.00 0.00 1.22 3.38 -0.05 -3.52 115.31 116.41 1zll h LEU 51 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1zll h LEU 51 Cb 1.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.72 1zll h LEU 51 CO 0.18 0.49 0.00 0.18 0.09 0.00 0.00 178.44 179.38