#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 0.09 2.12 4.71 -1.26 -4.32 120.64 121.98 1zll n GLU 2 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.00 1zll n GLU 2 Cb 0.00 -1.39 -0.09 0.00 -1.01 0.00 0.00 31.44 28.95 1zll n GLU 2 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1zll h LYS 3 N 0.00 0.37 0.02 3.49 1.79 -2.05 -2.77 116.57 117.41 1zll h LYS 3 Ca 0.00 -0.49 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1zll h LYS 3 Cb 0.00 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1zll h LYS 3 CO 0.00 1.18 -0.01 0.28 -1.08 0.00 0.00 179.45 179.82 1zll h VAL 4 N 0.17 1.04 -0.57 0.50 2.07 -2.00 -2.66 116.25 114.79 1zll h VAL 4 Ca -0.11 -1.73 0.17 0.00 0.82 0.00 0.00 66.70 65.85 1zll h VAL 4 Cb 1.77 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.45 1zll h VAL 4 CO 0.19 0.34 0.58 -0.61 0.02 0.00 0.00 177.57 178.09 1zll h GLN 5 N -0.98 0.00 0.21 1.57 5.75 -1.91 0.34 115.11 120.09 1zll h GLN 5 Ca -0.00 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.18 1zll h GLN 5 Cb 0.58 0.00 0.03 0.00 1.07 0.00 0.00 27.48 29.16 1zll h GLN 5 CO 0.00 0.00 -1.39 -0.92 -2.65 0.00 0.00 178.83 173.87 1zll h TYR 6 N 0.00 0.91 -0.00 3.99 3.20 -1.50 -2.49 116.97 121.08 1zll h TYR 6 Ca 0.27 -0.64 -0.06 0.00 3.14 0.00 0.00 58.73 61.44 1zll h TYR 6 Cb 1.43 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 39.66 1zll h TYR 6 CO 0.00 1.50 -0.24 -0.07 -1.64 0.00 0.00 178.16 177.70 1zll h LEU 7 N 0.16 0.22 -0.91 2.82 3.38 -0.11 -1.97 115.31 118.90 1zll h LEU 7 Ca -0.22 -0.78 -0.04 0.00 0.09 0.00 0.00 57.88 56.93 1zll h LEU 7 Cb 2.09 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.74 1zll h LEU 7 CO 0.26 0.97 0.28 0.71 0.09 0.00 0.00 178.44 180.74 1zll h THR 8 N -0.51 1.25 -0.02 0.22 1.35 -0.84 -1.86 112.91 112.49 1zll h THR 8 Ca -0.03 -0.79 -0.11 0.00 -0.55 0.00 0.00 66.41 64.93 1zll h THR 8 Cb 1.00 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1zll h THR 8 CO 0.05 0.32 -0.50 0.03 -0.25 0.00 0.00 175.52 175.16 1zll h ARG 9 N 1.05 0.06 -0.08 4.72 -0.00 -1.51 -2.42 114.38 116.19 1zll h ARG 9 Ca 0.24 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.98 59.59 1zll h ARG 9 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.17 1zll h ARG 9 CO -0.02 0.55 -0.37 1.03 0.00 0.00 0.00 179.97 181.16 1zll h SER 10 N 0.05 0.18 0.13 7.04 0.87 -0.55 -2.42 113.55 118.84 1zll h SER 10 Ca -0.00 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1zll h SER 10 Cb 0.91 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1zll h SER 10 CO 0.07 0.54 -0.06 0.00 -0.53 0.00 0.00 176.83 176.85 1zll h ALA 11 N 1.47 -0.23 -0.49 6.23 0.00 -1.12 -2.41 119.26 122.71 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 0.74 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1zll h ALA 11 CO 0.06 -0.22 0.74 0.82 0.00 0.00 0.00 179.25 180.65 1zll h ILE 12 N -0.75 0.14 0.22 0.00 2.04 -1.52 0.95 117.51 118.59 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 0.37 0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1zll h ILE 12 CO 0.03 0.00 -1.52 -0.09 0.00 0.00 0.00 178.15 176.57 1zll h ARG 13 N 0.00 0.47 -0.02 2.37 9.65 -1.45 -3.18 114.38 122.23 1zll h ARG 13 Ca 0.23 -0.81 0.00 0.00 -1.10 0.00 0.00 59.98 58.31 1zll h ARG 13 Cb 1.71 0.30 0.00 0.00 -1.39 0.00 0.00 29.97 30.59 1zll h ARG 13 CO -0.00 1.38 -0.12 0.54 2.80 0.00 0.00 179.97 184.57 1zll n ARG 14 N -3.66 1.60 -0.17 0.20 1.74 0.19 -3.92 116.66 112.64 1zll n ARG 14 Ca -0.18 -1.11 0.06 0.00 -0.77 0.00 0.00 57.85 55.85 1zll n ARG 14 Cb 1.09 -1.48 0.15 0.00 -1.02 0.00 0.00 32.46 31.21 1zll n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zll n ALA 15 N 0.27 2.24 1.29 7.54 0.00 0.27 -4.43 120.51 127.70 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 0.43 -0.48 0.48 0.00 0.00 0.00 0.00 19.45 19.89 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 0.65 0.00 -1.58 0.00 7.64 -1.20 -2.23 113.62 116.90 1zll n SER 16 Ca 0.12 -0.78 -0.13 0.00 1.01 0.00 0.00 58.87 59.09 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 -0.89 2.81 -4.16 0.44 -2.24 -1.26 -4.98 114.28 104.00 1zll n THR 17 Ca 0.12 -2.60 -0.10 0.00 -2.27 0.00 0.00 64.05 59.20 1zll n THR 17 Cb 0.06 -0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 67.74 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 -3.42 0.12 -0.46 2.28 1.01 -0.95 -5.12 121.20 114.66 1zll s ILE 18 Ca 0.50 -1.92 0.05 0.00 0.00 0.00 0.00 60.65 59.28 1zll s ILE 18 Cb 0.43 -2.08 0.18 0.00 0.01 0.00 0.00 42.46 41.01 1zll s ILE 18 CO 0.03 -0.43 0.53 -1.83 0.00 0.00 0.00 174.94 173.24 1zll s GLU 19 N -4.05 0.99 -0.02 2.79 -1.05 -1.26 -5.10 118.70 110.99 1zll s GLU 19 Ca 0.25 -1.58 -0.13 0.00 -0.15 0.00 0.00 54.97 53.36 1zll s GLU 19 Cb 0.07 -0.72 0.02 0.00 -0.44 0.00 0.00 34.13 33.06 1zll s GLU 19 CO 0.03 -1.36 0.28 -1.64 0.95 0.00 0.00 175.26 173.52 1zll s MET 20 N 0.48 0.60 0.00 -4.83 -1.94 -1.26 -5.02 119.30 107.33 1zll s MET 20 Ca 0.31 -0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.15 1zll s MET 20 Cb 0.02 0.27 0.00 0.00 2.01 0.00 0.00 34.83 37.12 1zll s MET 20 CO -0.12 -0.16 0.89 -0.35 -0.01 0.00 0.00 175.02 175.27 1zll n PRO 21 N 1.51 0.62 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.02 1zll n PRO 21 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1zll n PRO 21 Cb 0.56 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 1.12 0.00 -0.24 0.54 -0.06 -1.26 -3.91 117.38 113.57 1zll n GLN 22 Ca 0.00 0.00 0.23 0.00 -2.00 0.00 0.00 57.00 55.23 1zll n GLN 22 Cb 0.31 0.00 0.43 0.00 -4.06 0.00 0.00 30.24 26.92 1zll n GLN 22 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1zll n GLN 23 N 0.00 -0.04 -0.01 3.69 7.27 -1.26 0.22 117.38 127.24 1zll n GLN 23 Ca 0.00 0.98 -0.10 0.00 0.07 0.00 0.00 57.00 57.95 1zll n GLN 23 Cb 0.00 -1.78 0.05 0.00 2.41 0.00 0.00 30.24 30.92 1zll n GLN 23 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1zll h ALA 24 N 1.41 0.68 0.32 1.69 0.00 -1.93 -1.40 119.26 120.02 1zll h ALA 24 Ca 0.61 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1zll h ALA 24 Cb 1.65 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1zll h ALA 24 CO -0.53 0.68 -0.38 -0.09 0.00 0.00 0.00 179.25 178.93 1zll h ARG 25 N 0.48 -0.72 0.50 0.00 2.43 0.23 0.25 114.38 117.55 1zll h ARG 25 Ca 0.02 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1zll h ARG 25 Cb 1.07 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1zll h ARG 25 CO 0.10 -0.48 -0.24 0.37 -1.51 0.00 0.00 179.97 178.22 1zll h GLN 26 N -0.74 -0.65 -0.93 0.20 4.15 -1.50 -2.50 115.11 113.14 1zll h GLN 26 Ca -0.02 0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.60 1zll h GLN 26 Cb 0.69 0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.45 1zll h GLN 26 CO -0.10 -0.36 0.59 0.87 -1.93 0.00 0.00 178.83 177.91 1zll h LYS 27 N -0.86 0.73 0.02 1.69 1.79 -1.22 -2.69 116.57 116.03 1zll h LYS 27 Ca -0.07 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1zll h LYS 27 Cb 0.59 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1zll h LYS 27 CO 0.11 0.48 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.89 1zll h LEU 28 N 0.75 -0.02 -0.21 2.94 3.38 -0.38 0.14 115.31 121.92 1zll h LEU 28 Ca 0.48 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1zll h LEU 28 Cb 0.72 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1zll h LEU 28 CO -0.24 0.38 -0.08 1.56 0.09 0.00 0.00 178.44 180.15 1zll h GLN 29 N -0.43 -0.04 0.38 1.13 1.08 -1.12 0.68 115.11 116.79 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 0.41 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1zll h GLN 29 CO 0.00 -0.03 -0.18 -0.91 -0.95 0.00 0.00 178.83 176.77 1zll h ASN 30 N -0.04 -0.43 -0.89 1.46 4.21 -1.56 -2.63 115.58 115.70 1zll h ASN 30 Ca 0.11 -0.11 0.15 0.00 1.21 0.00 0.00 56.30 57.66 1zll h ASN 30 Cb 0.21 0.11 -0.07 0.00 -1.12 0.00 0.00 38.32 37.44 1zll h ASN 30 CO -0.24 0.01 0.58 -0.07 -1.29 0.00 0.00 177.43 176.42 1zll h LEU 31 N -1.03 0.64 0.61 1.61 3.38 -0.69 -2.59 115.31 117.24 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 0.51 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1zll h LEU 31 CO 0.08 0.32 -0.29 0.15 0.09 0.00 0.00 178.44 178.79 1zll h PHE 32 N 0.67 -0.76 -0.80 1.13 3.57 0.39 0.06 116.94 121.20 1zll h PHE 32 Ca 0.45 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.03 1zll h PHE 32 Cb 0.76 0.25 -0.12 0.00 2.79 0.00 0.00 35.95 39.63 1zll h PHE 32 CO -0.00 -0.47 -0.51 0.82 -2.23 0.00 0.00 178.31 175.91 1zll h ILE 33 N -0.86 0.02 -0.93 1.41 2.04 -1.10 0.92 117.51 119.01 1zll h ILE 33 Ca -0.08 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.88 1zll h ILE 33 Cb 0.63 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 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 -0.12 0.83 -0.28 1.72 2.35 -1.46 0.24 115.58 118.85 1zll h ASN 34 Ca 0.18 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1zll h ASN 34 Cb 0.51 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1zll h ASN 34 CO -0.83 0.47 0.01 0.15 -1.65 0.00 0.00 177.43 175.58 1zll h PHE 35 N 0.91 0.63 0.09 1.19 3.57 0.26 -2.72 116.94 120.87 1zll h PHE 35 Ca 0.44 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 1zll h PHE 35 Cb 0.46 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1zll h PHE 35 CO -0.00 0.60 -0.04 0.00 -2.23 0.00 0.00 178.31 176.64 1zll h LEU 37 N -0.30 -0.49 -0.97 0.00 -0.00 -1.06 0.28 115.31 112.75 1zll h LEU 37 Ca -0.01 0.14 -0.07 0.00 -0.00 0.00 0.00 57.88 57.94 1zll h LEU 37 Cb 0.26 0.30 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1zll h LEU 37 CO 0.02 -0.17 0.02 0.40 -0.00 0.00 0.00 178.44 178.71 1zll h ILE 38 N -0.05 1.23 0.02 1.22 2.04 -1.33 -1.96 117.51 118.68 1zll h ILE 38 Ca 0.20 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1zll h ILE 38 Cb 0.36 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1zll h ILE 38 CO -0.45 0.34 -0.01 0.25 0.00 0.00 0.00 178.15 178.27 1zll h LEU 39 N 0.72 -0.02 -1.54 1.44 6.46 0.14 -2.15 115.31 120.36 1zll h LEU 39 Ca 0.15 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1zll h LEU 39 Cb 0.41 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1zll h LEU 39 CO 0.01 0.16 0.28 0.40 -0.62 0.00 0.00 178.44 178.67 1zll h ILE 40 N -0.20 1.12 0.17 4.05 2.04 -0.43 -1.60 117.51 122.66 1zll h ILE 40 Ca -0.00 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1zll h ILE 40 Cb 0.20 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1zll h ILE 40 CO 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 178.15 178.19 1zll h LEU 42 N -0.27 0.00 0.26 0.00 4.07 -1.34 -1.26 115.31 116.77 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 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 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 -0.30 -1.00 1.67 -0.00 -0.96 -2.28 115.31 112.45 1zll h LEU 43 Ca 0.57 0.01 0.30 0.00 -0.00 0.00 0.00 57.88 58.76 1zll h LEU 43 Cb 2.53 0.08 -0.14 0.00 -0.00 0.00 0.00 40.66 43.12 1zll h LEU 43 CO -0.01 -0.14 0.56 -0.07 -0.00 0.00 0.00 178.44 178.79 1zll h LEU 44 N -0.51 0.53 -0.47 1.67 3.38 -0.23 0.46 115.31 120.14 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 0.27 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1zll h LEU 44 CO 0.06 -0.09 0.29 0.40 0.09 0.00 0.00 178.44 179.19 1zll h ILE 45 N 0.37 1.14 0.37 1.22 2.04 -1.39 -1.72 117.51 119.55 1zll h ILE 45 Ca 0.71 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 66.26 1zll h ILE 45 Cb 1.56 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1zll h ILE 45 CO -0.58 0.14 -0.49 0.00 0.00 0.00 0.00 178.15 177.22 1zll h ILE 47 N -0.89 0.39 0.16 0.00 2.04 -1.22 -0.66 117.51 117.32 1zll h ILE 47 Ca -0.04 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1zll h ILE 47 Cb 0.81 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1zll h ILE 47 CO -0.13 0.01 -0.23 0.40 0.00 0.00 0.00 178.15 178.20 1zll h ILE 48 N 0.04 0.50 -0.59 -0.67 2.04 -0.70 -0.63 117.51 117.50 1zll h ILE 48 Ca 0.33 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.36 1zll h ILE 48 Cb 0.53 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1zll h ILE 48 CO -0.63 0.00 0.59 0.58 0.00 0.00 0.00 178.15 178.69 1zll h VAL 49 N -0.45 0.35 0.12 1.67 2.07 0.40 0.16 116.25 120.57 1zll h VAL 49 Ca 0.02 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.26 1zll h VAL 49 Cb 0.45 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1zll h VAL 49 CO -0.10 0.00 -1.27 -0.03 0.02 0.00 0.00 177.57 176.19 1zll h MET 50 N 0.00 0.25 0.00 1.57 -1.53 -0.36 -3.27 114.93 111.59 1zll h MET 50 Ca 0.28 -0.42 -0.10 0.00 -3.44 0.00 0.00 59.70 56.01 1zll h MET 50 Cb 1.46 0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 32.65 1zll h MET 50 CO -0.00 1.18 -0.50 -0.07 0.14 0.00 0.00 176.91 177.66 1zll h LEU 51 N 0.07 0.00 0.00 3.39 3.38 -0.11 -3.52 115.31 118.52 1zll h LEU 51 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 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 0.19 0.50 0.00 0.18 0.09 0.00 0.00 178.44 179.40