#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 2.13 -1.26 -4.33 120.64 119.38 1zll n GLU 2 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1zll n GLU 2 Cb 0.00 -1.39 -0.09 0.00 0.27 0.00 0.00 31.44 30.23 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 0.43 0.04 5.31 1.57 -2.05 -2.76 116.57 119.11 1zll h LYS 3 Ca 0.00 -0.55 -0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1zll h LYS 3 Cb 0.00 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1zll h LYS 3 CO 0.00 1.21 -0.02 0.28 -0.57 0.00 0.00 179.45 180.35 1zll h VAL 4 N 0.20 1.07 -0.54 0.50 2.07 -2.00 -2.65 116.25 114.90 1zll h VAL 4 Ca -0.12 -1.67 0.16 0.00 0.82 0.00 0.00 66.70 65.89 1zll h VAL 4 Cb 1.77 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 1zll h VAL 4 CO 0.19 0.34 0.55 -0.61 0.02 0.00 0.00 177.57 178.06 1zll h GLN 5 N -0.96 0.00 0.17 1.57 5.75 -1.91 0.39 115.11 120.12 1zll h GLN 5 Ca -0.00 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.19 1zll h GLN 5 Cb 0.60 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.17 1zll h GLN 5 CO 0.01 0.00 -1.32 -0.92 -2.65 0.00 0.00 178.83 173.95 1zll h TYR 6 N 0.00 0.79 0.02 3.99 3.20 -1.49 -2.48 116.97 121.00 1zll h TYR 6 Ca 0.25 -0.55 -0.07 0.00 3.14 0.00 0.00 58.73 61.51 1zll h TYR 6 Cb 1.35 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 39.58 1zll h TYR 6 CO 0.00 1.42 -0.27 -0.07 -1.64 0.00 0.00 178.16 177.60 1zll h LEU 7 N 0.15 0.20 -0.91 2.82 3.38 -0.02 -2.06 115.31 118.88 1zll h LEU 7 Ca -0.19 -0.85 -0.04 0.00 0.09 0.00 0.00 57.88 56.89 1zll h LEU 7 Cb 2.02 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.67 1zll h LEU 7 CO 0.24 1.03 0.34 0.71 0.09 0.00 0.00 178.44 180.85 1zll h THR 8 N -0.60 1.25 -0.02 0.22 1.35 -0.83 -1.85 112.91 112.42 1zll h THR 8 Ca -0.04 -0.74 -0.11 0.00 -0.55 0.00 0.00 66.41 64.97 1zll h THR 8 Cb 1.09 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1zll h THR 8 CO 0.05 0.31 -0.50 -0.09 -0.25 0.00 0.00 175.52 175.04 1zll h ARG 9 N 1.12 0.06 -0.07 4.72 2.43 -1.51 -2.40 114.38 118.72 1zll h ARG 9 Ca 0.26 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 1zll h ARG 9 Cb 0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1zll h ARG 9 CO -0.03 0.55 -0.36 1.03 -1.51 0.00 0.00 179.97 179.65 1zll h SER 10 N 0.05 0.15 0.10 -3.80 0.87 -0.60 -2.42 113.55 107.91 1zll h SER 10 Ca -0.00 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1zll h SER 10 Cb 0.90 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1zll h SER 10 CO 0.07 0.51 -0.05 0.00 -0.53 0.00 0.00 176.83 176.82 1zll h ALA 11 N 1.50 -0.17 -0.43 6.23 0.00 -1.11 -2.42 119.26 122.87 1zll h ALA 11 Ca 0.01 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1zll h ALA 11 Cb 0.70 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1zll h ALA 11 CO 0.05 -0.16 0.70 0.82 0.00 0.00 0.00 179.25 180.66 1zll h ILE 12 N -0.82 0.15 0.23 0.00 2.04 -1.52 0.95 117.51 118.53 1zll h ILE 12 Ca -0.01 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.51 1zll h ILE 12 Cb 0.11 0.40 0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1zll h ILE 12 CO 0.02 0.00 -1.54 -0.09 0.00 0.00 0.00 178.15 176.55 1zll h ARG 13 N 0.00 0.49 -0.02 2.37 9.65 -1.45 -3.17 114.38 122.25 1zll h ARG 13 Ca 0.21 -0.83 0.00 0.00 -1.10 0.00 0.00 59.98 58.25 1zll h ARG 13 Cb 1.59 0.31 0.00 0.00 -1.39 0.00 0.00 29.97 30.48 1zll h ARG 13 CO -0.00 1.40 -0.13 2.89 2.80 0.00 0.00 179.97 186.92 1zll n ARG 14 N -3.67 1.52 -0.15 0.20 1.85 0.17 -3.92 116.66 112.67 1zll n ARG 14 Ca -0.18 -1.04 0.06 0.00 -1.00 0.00 0.00 57.85 55.70 1zll n ARG 14 Cb 1.09 -1.48 0.15 0.00 -1.05 0.00 0.00 32.46 31.17 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 0.17 2.27 1.18 2.89 0.00 0.27 -4.43 120.51 122.86 1zll n ALA 15 Ca 0.15 -1.02 0.08 0.00 0.00 0.00 0.00 53.44 52.64 1zll n ALA 15 Cb 0.42 -0.48 0.46 0.00 0.00 0.00 0.00 19.45 19.84 1zll n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1zll n SER 16 N 0.68 0.00 -1.60 0.00 2.88 -1.20 -2.20 113.62 112.18 1zll n SER 16 Ca 0.12 -0.69 -0.13 0.00 -1.33 0.00 0.00 58.87 56.84 1zll n SER 16 Cb 0.42 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.06 1zll n SER 16 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1zll n THR 17 N -0.91 2.82 -4.15 2.46 -2.24 -1.26 -4.97 114.28 106.03 1zll n THR 17 Ca 0.12 -2.55 -0.10 0.00 -2.27 0.00 0.00 64.05 59.25 1zll n THR 17 Cb 0.05 -0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 67.75 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 -3.39 0.16 -0.44 2.28 1.01 -0.93 -5.12 121.20 114.77 1zll s ILE 18 Ca 0.50 -1.90 0.05 0.00 0.00 0.00 0.00 60.65 59.30 1zll s ILE 18 Cb 0.44 -1.98 0.17 0.00 0.01 0.00 0.00 42.46 41.10 1zll s ILE 18 CO 0.03 -0.54 0.49 -1.61 0.00 0.00 0.00 174.94 173.31 1zll s GLU 19 N -4.02 0.92 -0.04 2.79 2.02 -1.26 -5.10 118.70 114.00 1zll s GLU 19 Ca 0.22 -1.51 -0.15 0.00 0.02 0.00 0.00 54.97 53.55 1zll s GLU 19 Cb 0.07 -0.80 0.03 0.00 0.10 0.00 0.00 34.13 33.54 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 0.60 0.63 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.92 1zll s MET 20 Ca 0.29 -0.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.26 1zll s MET 20 Cb -0.01 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.11 1zll s MET 20 CO -0.11 -0.16 0.84 -0.35 -0.01 0.00 0.00 175.02 175.23 1zll n PRO 21 N 1.64 0.60 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.12 1zll n PRO 21 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 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 1.11 0.00 -0.25 0.54 -0.06 -1.26 -3.92 117.38 113.54 1zll n GLN 22 Ca 0.00 0.00 0.24 0.00 -2.00 0.00 0.00 57.00 55.24 1zll n GLN 22 Cb 0.30 0.00 0.44 0.00 -4.06 0.00 0.00 30.24 26.92 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 -0.01 3.69 6.02 -1.26 0.22 117.38 126.00 1zll n GLN 23 Ca 0.00 1.01 -0.09 0.00 -0.01 0.00 0.00 57.00 57.90 1zll n GLN 23 Cb 0.00 -1.82 0.06 0.00 1.02 0.00 0.00 30.24 29.49 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 1.44 0.71 0.37 -1.58 0.00 -1.93 -1.37 119.26 116.90 1zll h ALA 24 Ca 0.63 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1zll h ALA 24 Cb 1.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1zll h ALA 24 CO -0.54 0.68 -0.36 -0.09 0.00 0.00 0.00 179.25 178.93 1zll h ARG 25 N 0.46 -0.73 0.41 0.00 9.65 0.23 0.24 114.38 124.65 1zll h ARG 25 Ca 0.02 0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 1zll h ARG 25 Cb 1.05 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1zll h ARG 25 CO 0.10 -0.49 -0.20 1.96 2.80 0.00 0.00 179.97 184.15 1zll h GLN 26 N -0.76 -0.53 -0.89 0.20 4.20 -1.50 -2.50 115.11 113.34 1zll h GLN 26 Ca -0.03 0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.83 1zll h GLN 26 Cb 0.68 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.51 1zll h GLN 26 CO -0.06 -0.26 0.57 0.87 -0.67 0.00 0.00 178.83 179.28 1zll h LYS 27 N -0.75 0.79 -0.01 1.46 6.56 -1.21 -2.70 116.57 120.71 1zll h LYS 27 Ca -0.06 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.48 1zll h LYS 27 Cb 0.52 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 32.00 1zll h LYS 27 CO 0.09 0.52 -0.01 -0.07 -2.06 0.00 0.00 179.45 177.93 1zll h LEU 28 N 0.81 0.03 -0.20 2.94 3.38 -0.41 0.13 115.31 121.99 1zll h LEU 28 Ca 0.42 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1zll h LEU 28 Cb 0.52 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1zll h LEU 28 CO -0.19 0.42 -0.06 1.56 0.09 0.00 0.00 178.44 180.27 1zll h GLN 29 N -0.37 -0.01 0.34 1.13 1.08 -1.13 0.67 115.11 116.81 1zll h GLN 29 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1zll h GLN 29 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1zll h GLN 29 CO 0.00 -0.01 -0.16 -0.91 -0.95 0.00 0.00 178.83 176.80 1zll h ASN 30 N -0.01 -0.39 -0.84 1.46 4.21 -1.55 -2.62 115.58 115.84 1zll h ASN 30 Ca 0.10 -0.14 0.13 0.00 1.21 0.00 0.00 56.30 57.60 1zll h ASN 30 Cb 0.16 0.10 -0.06 0.00 -1.12 0.00 0.00 38.32 37.40 1zll h ASN 30 CO -0.21 0.07 0.55 -0.07 -1.29 0.00 0.00 177.43 176.47 1zll h LEU 31 N -1.00 0.63 0.62 1.61 3.38 -0.69 -2.60 115.31 117.25 1zll h LEU 31 Ca -0.05 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1zll h LEU 31 Cb 0.50 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1zll h LEU 31 CO 0.08 0.34 -0.30 0.15 0.09 0.00 0.00 178.44 178.80 1zll h PHE 32 N 0.68 -0.77 -0.80 1.13 3.57 0.35 0.09 116.94 121.19 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 0.63 0.25 -0.12 0.00 2.79 0.00 0.00 35.95 39.51 1zll h PHE 32 CO -0.00 -0.48 -0.49 0.82 -2.23 0.00 0.00 178.31 175.93 1zll h ILE 33 N -0.88 0.03 -0.92 1.41 2.04 -1.12 0.88 117.51 118.94 1zll h ILE 33 Ca -0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1zll h ILE 33 Cb 0.64 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1zll h ILE 33 CO 0.14 0.00 0.60 0.78 0.00 0.00 0.00 178.15 179.66 1zll h ASN 34 N -0.11 0.88 -0.37 1.72 2.35 -1.46 0.19 115.58 118.77 1zll h ASN 34 Ca 0.20 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1zll h ASN 34 Cb 0.52 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1zll h ASN 34 CO -0.84 0.54 0.09 0.15 -1.65 0.00 0.00 177.43 175.72 1zll h PHE 35 N 0.98 0.70 0.11 1.19 3.04 0.26 -2.71 116.94 120.51 1zll h PHE 35 Ca 0.42 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.30 1zll h PHE 35 Cb 0.31 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1zll h PHE 35 CO -0.00 0.61 -0.05 0.00 -2.02 0.00 0.00 178.31 176.85 1zll h LEU 37 N -0.28 -0.55 -1.10 0.00 3.38 -1.05 0.27 115.31 115.98 1zll h LEU 37 Ca -0.01 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1zll h LEU 37 Cb 0.23 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1zll h LEU 37 CO 0.02 -0.19 0.04 0.40 0.09 0.00 0.00 178.44 178.80 1zll h ILE 38 N -0.08 1.22 0.02 1.22 2.04 -1.33 -1.96 117.51 118.63 1zll h ILE 38 Ca 0.19 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1zll h ILE 38 Cb 0.37 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1zll h ILE 38 CO -0.44 0.30 -0.01 0.25 0.00 0.00 0.00 178.15 178.25 1zll h LEU 39 N 0.64 -0.02 -1.54 1.44 5.85 0.15 -2.21 115.31 119.63 1zll h LEU 39 Ca 0.14 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1zll h LEU 39 Cb 0.34 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1zll h LEU 39 CO 0.01 0.25 0.33 0.40 -0.34 0.00 0.00 178.44 179.09 1zll h ILE 40 N -0.29 1.10 0.16 4.05 2.04 -0.45 -1.64 117.51 122.48 1zll h ILE 40 Ca -0.00 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1zll h ILE 40 Cb 0.28 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1zll h ILE 40 CO 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 178.15 178.19 1zll h LEU 42 N -0.25 0.00 0.25 0.00 4.07 -1.35 -1.48 115.31 116.55 1zll h LEU 42 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1zll h LEU 42 Cb 0.16 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 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.21 1zll h LEU 43 N 0.00 -0.28 -1.00 1.67 3.38 -0.94 -2.30 115.31 115.84 1zll h LEU 43 Ca 0.50 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.80 1zll h LEU 43 Cb 2.37 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 43.05 1zll h LEU 43 CO -0.01 -0.10 0.56 -0.07 0.09 0.00 0.00 178.44 178.91 1zll h LEU 44 N -0.53 0.51 -0.45 1.67 3.38 -0.46 0.51 115.31 119.94 1zll h LEU 44 Ca -0.03 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1zll h LEU 44 Cb 0.25 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1zll h LEU 44 CO 0.06 -0.13 0.22 0.40 0.09 0.00 0.00 178.44 179.08 1zll h ILE 45 N 0.33 1.18 0.40 1.22 2.04 -1.39 -1.76 117.51 119.53 1zll h ILE 45 Ca 0.73 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 1zll h ILE 45 Cb 1.64 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 1zll h ILE 45 CO -0.60 0.19 -0.51 0.00 0.00 0.00 0.00 178.15 177.23 1zll h ILE 47 N -0.94 0.32 0.17 0.00 2.04 -1.26 -0.52 117.51 117.32 1zll h ILE 47 Ca -0.05 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1zll h ILE 47 Cb 0.85 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1zll h ILE 47 CO -0.13 0.00 -0.22 0.40 0.00 0.00 0.00 178.15 178.21 1zll h ILE 48 N 0.02 0.52 -0.59 -0.67 2.04 -0.69 -0.60 117.51 117.55 1zll h ILE 48 Ca 0.35 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.38 1zll h ILE 48 Cb 0.55 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1zll h ILE 48 CO -0.70 0.00 0.60 0.58 0.00 0.00 0.00 178.15 178.63 1zll h VAL 49 N -0.44 0.34 0.10 1.67 2.07 0.50 0.18 116.25 120.67 1zll h VAL 49 Ca 0.01 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.26 1zll h VAL 49 Cb 0.44 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1zll h VAL 49 CO -0.09 0.00 -1.28 0.24 0.02 0.00 0.00 177.57 176.46 1zll h MET 50 N 0.00 0.21 -0.03 1.57 2.86 -0.36 -3.28 114.93 115.90 1zll h MET 50 Ca 0.28 -0.36 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 1zll h MET 50 Cb 1.47 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 33.25 1zll h MET 50 CO -0.00 1.14 -0.55 -0.07 1.06 0.00 0.00 176.91 178.49 1zll h LEU 51 N 0.06 0.09 0.00 1.22 3.38 -0.08 -3.52 115.31 116.46 1zll h LEU 51 Ca -0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1zll h LEU 51 Cb 1.95 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1zll h LEU 51 CO 0.18 0.62 0.00 0.18 0.09 0.00 0.00 178.44 179.51