#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 -4.31 120.64 119.38 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 -1.32 -0.06 0.00 0.27 0.00 0.00 31.44 30.34 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 0.45 0.02 5.31 1.57 -2.05 -2.72 116.57 119.15 1zll h LYS 3 Ca 0.00 -0.49 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1zll h LYS 3 Cb 0.00 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1zll h LYS 3 CO 0.00 1.14 -0.01 0.28 -0.57 0.00 0.00 179.45 180.29 1zll h VAL 4 N 0.25 1.14 -0.52 0.50 2.07 -2.00 -2.74 116.25 114.95 1zll h VAL 4 Ca -0.09 -1.77 0.15 0.00 0.82 0.00 0.00 66.70 65.81 1zll h VAL 4 Cb 1.61 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 1zll h VAL 4 CO 0.17 0.38 0.52 -0.61 0.02 0.00 0.00 177.57 178.05 1zll h GLN 5 N -0.97 0.00 0.10 1.57 4.15 -1.91 0.50 115.11 118.55 1zll h GLN 5 Ca -0.00 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.16 1zll h GLN 5 Cb 0.64 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1zll h GLN 5 CO 0.00 0.00 -1.16 -0.92 -1.93 0.00 0.00 178.83 174.83 1zll h TYR 6 N 0.00 0.52 0.07 3.99 3.20 -1.49 -2.51 116.97 120.75 1zll h TYR 6 Ca 0.25 -0.35 -0.12 0.00 3.14 0.00 0.00 58.73 61.64 1zll h TYR 6 Cb 1.29 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 39.54 1zll h TYR 6 CO 0.00 1.24 -0.59 -0.07 -1.64 0.00 0.00 178.16 177.10 1zll h LEU 7 N 0.11 0.23 -1.14 2.82 3.38 0.15 -2.22 115.31 118.64 1zll h LEU 7 Ca -0.12 -0.92 -0.04 0.00 0.09 0.00 0.00 57.88 56.89 1zll h LEU 7 Cb 1.86 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 1zll h LEU 7 CO 0.19 1.27 0.18 0.74 0.09 0.00 0.00 178.44 180.92 1zll h THR 8 N -0.67 1.21 -0.00 0.22 2.02 -0.82 -1.89 112.91 112.97 1zll h THR 8 Ca -0.12 -0.68 -0.15 0.00 0.77 0.00 0.00 66.41 66.22 1zll h THR 8 Cb 1.37 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1zll h THR 8 CO 0.05 0.26 -0.72 -0.09 0.37 0.00 0.00 175.52 175.39 1zll h ARG 9 N 0.78 0.02 -0.06 6.66 2.43 -1.52 -2.48 114.38 120.20 1zll h ARG 9 Ca 0.18 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1zll h ARG 9 Cb 0.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1zll h ARG 9 CO -0.01 0.73 -0.34 0.66 -1.51 0.00 0.00 179.97 179.50 1zll h SER 10 N 0.01 0.12 0.08 -3.80 4.64 -0.71 -2.41 113.55 111.49 1zll h SER 10 Ca -0.01 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1zll h SER 10 Cb 1.27 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1zll h SER 10 CO 0.09 0.46 -0.04 0.00 -0.87 0.00 0.00 176.83 176.48 1zll h ALA 11 N 1.55 -0.13 -0.46 5.18 0.00 -1.17 -2.44 119.26 121.78 1zll h ALA 11 Ca 0.01 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1zll h ALA 11 Cb 0.66 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1zll h ALA 11 CO 0.05 -0.12 0.72 0.82 0.00 0.00 0.00 179.25 180.71 1zll h ILE 12 N -0.79 0.14 0.22 0.00 2.04 -1.53 0.97 117.51 118.56 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 0.08 0.38 0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1zll h ILE 12 CO 0.02 0.00 -1.53 -0.09 0.00 0.00 0.00 178.15 176.54 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 0.22 -0.81 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 1zll h ARG 13 Cb 1.65 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 -0.16 2.89 2.80 0.00 0.00 179.97 186.88 1zll n ARG 14 N -3.66 1.46 -0.17 0.20 -4.01 0.19 -3.92 116.66 106.74 1zll n ARG 14 Ca -0.18 -1.00 0.07 0.00 -1.04 0.00 0.00 57.85 55.69 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 0.11 2.26 1.26 2.89 0.00 0.28 -4.43 120.51 122.88 1zll n ALA 15 Ca 0.14 -1.07 0.08 0.00 0.00 0.00 0.00 53.44 52.59 1zll n ALA 15 Cb 0.42 -0.51 0.46 0.00 0.00 0.00 0.00 19.45 19.82 1zll n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1zll n SER 16 N 0.72 0.00 -1.54 0.00 3.41 -1.20 -2.22 113.62 112.79 1zll n SER 16 Ca 0.13 -0.78 -0.12 0.00 -0.26 0.00 0.00 58.87 57.85 1zll n SER 16 Cb 0.44 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.57 1zll n SER 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1zll n THR 17 N -0.88 2.78 -4.15 6.66 -2.24 -1.26 -4.98 114.28 110.21 1zll n THR 17 Ca 0.12 -2.57 -0.10 0.00 -2.27 0.00 0.00 64.05 59.23 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 -3.36 0.17 -0.45 2.28 1.01 -0.94 -5.12 121.20 114.79 1zll s ILE 18 Ca 0.49 -1.91 0.05 0.00 0.00 0.00 0.00 60.65 59.28 1zll s ILE 18 Cb 0.43 -2.00 0.18 0.00 0.01 0.00 0.00 42.46 41.08 1zll s ILE 18 CO 0.03 -0.52 0.50 -1.61 0.00 0.00 0.00 174.94 173.33 1zll s GLU 19 N -4.02 0.94 -0.03 2.79 2.02 -1.26 -5.10 118.70 114.04 1zll s GLU 19 Ca 0.22 -1.56 -0.14 0.00 0.02 0.00 0.00 54.97 53.52 1zll s GLU 19 Cb 0.07 -0.79 0.02 0.00 0.10 0.00 0.00 34.13 33.53 1zll s GLU 19 CO 0.01 -1.34 0.31 -1.64 0.02 0.00 0.00 175.26 172.61 1zll s MET 20 N 0.54 0.61 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.84 1zll s MET 20 Ca 0.30 -0.09 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1zll s MET 20 Cb 0.00 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 0.87 -0.35 -0.01 0.00 0.00 175.02 175.25 1zll n PRO 21 N 1.55 0.62 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 -1.19 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 1.10 0.00 -0.26 0.54 -0.06 -1.26 -3.92 117.38 113.52 1zll n GLN 22 Ca 0.00 0.00 0.25 0.00 -2.00 0.00 0.00 57.00 55.25 1zll n GLN 22 Cb 0.31 0.00 0.46 0.00 -4.06 0.00 0.00 30.24 26.95 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 1.05 -0.09 0.00 -0.01 0.00 0.00 57.00 57.95 1zll n GLN 23 Cb 0.00 -1.91 0.06 0.00 1.02 0.00 0.00 30.24 29.42 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 1.49 0.73 0.43 -1.58 0.00 -1.93 -1.38 119.26 117.02 1zll h ALA 24 Ca 0.66 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1zll h ALA 24 Cb 1.79 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1zll h ALA 24 CO -0.56 0.68 -0.38 -0.09 0.00 0.00 0.00 179.25 178.89 1zll h ARG 25 N 0.46 -0.79 0.48 0.00 2.43 0.23 0.22 114.38 117.41 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 1.03 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1zll h ARG 25 CO 0.10 -0.53 -0.23 0.37 -1.51 0.00 0.00 179.97 178.17 1zll h GLN 26 N -0.82 -0.62 -0.88 0.20 4.15 -1.50 -2.48 115.11 113.16 1zll h GLN 26 Ca -0.04 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.55 1zll h GLN 26 Cb 0.72 0.14 -0.07 0.00 0.21 0.00 0.00 27.48 28.48 1zll h GLN 26 CO -0.04 -0.35 0.57 -0.22 -1.93 0.00 0.00 178.83 176.86 1zll h LYS 27 N -0.80 0.71 -0.00 1.69 1.63 -1.22 -2.70 116.57 115.88 1zll h LYS 27 Ca -0.07 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1zll h LYS 27 Cb 0.56 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1zll h LYS 27 CO 0.11 0.47 -0.00 -0.07 -3.45 0.00 0.00 179.45 176.51 1zll h LEU 28 N 0.73 0.00 -0.24 5.20 3.38 -0.42 0.12 115.31 124.08 1zll h LEU 28 Ca 0.43 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1zll h LEU 28 Cb 0.62 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1zll h LEU 28 CO -0.19 0.46 -0.05 1.56 0.09 0.00 0.00 178.44 180.31 1zll h GLN 29 N -0.45 0.01 0.34 1.13 1.08 -1.13 0.68 115.11 116.78 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 0.45 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1zll h GLN 29 CO 0.00 0.01 -0.16 -0.91 -0.95 0.00 0.00 178.83 176.82 1zll h ASN 30 N 0.01 -0.39 -0.87 1.46 4.21 -1.56 -2.62 115.58 115.83 1zll h ASN 30 Ca 0.12 -0.12 0.14 0.00 1.21 0.00 0.00 56.30 57.65 1zll h ASN 30 Cb 0.17 0.10 -0.07 0.00 -1.12 0.00 0.00 38.32 37.41 1zll h ASN 30 CO -0.24 0.07 0.56 -0.07 -1.29 0.00 0.00 177.43 176.46 1zll h LEU 31 N -1.02 0.62 0.70 1.61 3.38 -0.73 -2.56 115.31 117.32 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 0.48 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1zll h LEU 31 CO 0.08 0.31 -0.34 0.15 0.09 0.00 0.00 178.44 178.73 1zll h PHE 32 N 0.65 -0.88 -0.65 1.13 3.57 0.38 0.24 116.94 121.38 1zll h PHE 32 Ca 0.43 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.00 1zll h PHE 32 Cb 0.73 0.29 -0.11 0.00 2.79 0.00 0.00 35.95 39.65 1zll h PHE 32 CO -0.00 -0.55 -0.50 0.82 -2.23 0.00 0.00 178.31 175.86 1zll h ILE 33 N -1.01 0.04 -0.93 1.41 2.04 -1.08 0.71 117.51 118.69 1zll h ILE 33 Ca -0.10 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.88 1zll h ILE 33 Cb 0.73 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.76 1zll h ILE 33 CO 0.16 0.00 0.57 -0.55 0.00 0.00 0.00 178.15 178.32 1zll h ASN 34 N -0.21 0.82 -0.71 1.72 7.08 -1.47 0.20 115.58 123.00 1zll h ASN 34 Ca 0.16 0.05 -0.00 0.00 -3.08 0.00 0.00 56.30 53.43 1zll h ASN 34 Cb 0.54 -0.11 -0.04 0.00 -2.08 0.00 0.00 38.32 36.64 1zll h ASN 34 CO -0.74 0.44 0.43 0.15 -2.08 0.00 0.00 177.43 175.63 1zll h PHE 35 N 0.90 0.95 0.12 4.14 3.04 0.23 -2.63 116.94 123.69 1zll h PHE 35 Ca 0.46 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.41 1zll h PHE 35 Cb 0.45 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1zll h PHE 35 CO -0.03 0.64 -0.06 0.00 -2.02 0.00 0.00 178.31 176.84 1zll h LEU 37 N -0.20 -0.34 -0.94 0.00 3.38 -0.99 0.26 115.31 116.49 1zll h LEU 37 Ca -0.02 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1zll h LEU 37 Cb 0.16 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1zll h LEU 37 CO 0.03 -0.12 -0.11 0.40 0.09 0.00 0.00 178.44 178.73 1zll h ILE 38 N 0.03 1.25 -0.01 1.22 2.04 -1.28 -2.05 117.51 118.70 1zll h ILE 38 Ca 0.21 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1zll h ILE 38 Cb 0.32 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1zll h ILE 38 CO -0.42 0.37 0.00 0.25 0.00 0.00 0.00 178.15 178.36 1zll h LEU 39 N 0.60 0.02 -1.61 1.44 5.85 0.14 -2.17 115.31 119.58 1zll h LEU 39 Ca 0.11 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1zll h LEU 39 Cb 0.54 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1zll h LEU 39 CO 0.03 0.23 0.19 0.40 -0.34 0.00 0.00 178.44 178.95 1zll h ILE 40 N -0.19 1.10 0.21 4.05 2.04 -0.46 -1.63 117.51 122.63 1zll h ILE 40 Ca 0.00 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1zll h ILE 40 Cb 0.22 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1zll h ILE 40 CO -0.00 0.11 -0.10 0.00 0.00 0.00 0.00 178.15 178.16 1zll h LEU 42 N -0.36 0.00 0.24 0.00 4.07 -1.34 -1.57 115.31 116.34 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 0.22 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 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.22 1zll h LEU 43 N 0.00 -0.27 -0.97 1.67 3.38 -0.98 -2.29 115.31 115.84 1zll h LEU 43 Ca 0.48 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.76 1zll h LEU 43 Cb 2.24 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 42.91 1zll h LEU 43 CO -0.01 -0.11 0.46 -0.07 0.09 0.00 0.00 178.44 178.80 1zll h LEU 44 N -0.48 0.33 -0.52 1.67 3.38 -0.51 0.56 115.31 119.73 1zll h LEU 44 Ca -0.03 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1zll h LEU 44 Cb 0.25 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1zll h LEU 44 CO 0.05 -0.17 0.33 0.40 0.09 0.00 0.00 178.44 179.15 1zll h ILE 45 N 0.26 1.15 0.43 1.22 2.04 -1.39 -1.70 117.51 119.52 1zll h ILE 45 Ca 0.69 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 66.24 1zll h ILE 45 Cb 1.55 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1zll h ILE 45 CO -0.64 0.15 -0.47 0.00 0.00 0.00 0.00 178.15 177.19 1zll h ILE 47 N -0.92 0.37 0.22 0.00 2.04 -1.23 -0.79 117.51 117.21 1zll h ILE 47 Ca -0.04 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1zll h ILE 47 Cb 0.81 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1zll h ILE 47 CO -0.09 0.01 -0.26 0.40 0.00 0.00 0.00 178.15 178.21 1zll h ILE 48 N 0.03 0.43 -0.80 -0.67 2.04 -0.72 -0.62 117.51 117.21 1zll h ILE 48 Ca 0.33 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.42 1zll h ILE 48 Cb 0.52 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1zll h ILE 48 CO -0.64 0.00 0.71 0.58 0.00 0.00 0.00 178.15 178.80 1zll h VAL 49 N -0.53 0.34 0.11 1.67 2.07 0.33 0.20 116.25 120.44 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 0.51 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1zll h VAL 49 CO -0.09 0.00 -1.23 0.24 0.02 0.00 0.00 177.57 176.51 1zll h MET 50 N 0.00 0.24 -0.01 1.57 2.86 -0.35 -3.28 114.93 115.97 1zll h MET 50 Ca 0.38 -0.41 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1zll h MET 50 Cb 1.80 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 33.60 1zll h MET 50 CO -0.00 1.19 -0.53 -0.07 1.06 0.00 0.00 176.91 178.55 1zll h LEU 51 N 0.07 0.03 0.00 1.22 3.38 -0.02 -3.52 115.31 116.46 1zll h LEU 51 Ca -0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1zll h LEU 51 Cb 1.95 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.70 1zll h LEU 51 CO 0.19 0.56 0.00 0.18 0.09 0.00 0.00 178.44 179.46