#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3z s LYS 14 N 0.00 4.36 -1.08 5.55 2.20 -1.25 -3.26 119.74 126.25 1q3z s LYS 14 Ca 0.00 1.50 -0.22 0.00 -0.36 0.00 0.00 55.97 56.89 1q3z s LYS 14 Cb 0.00 -3.58 0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1q3z s LYS 14 CO 0.00 -0.44 1.60 0.00 -0.36 0.00 0.00 175.35 176.15 1q3z n PHE 16 N 9.62 0.00 0.00 0.00 7.35 -1.26 -3.53 117.46 129.64 1q3z n PHE 16 Ca 0.38 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 1q3z n PHE 16 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 1q3z n PHE 16 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1q3z n ASN 17 N 2.58 0.00 0.05 -2.13 3.02 -1.26 -5.01 115.26 112.50 1q3z n ASN 17 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1q3z n ASN 17 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1q3z n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q3z n GLY 19 N -1.10 1.18 3.70 0.00 0.00 -1.26 -4.86 105.19 102.84 1q3z n GLY 19 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1q3z n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q3z n LYS 20 N 0.00 1.88 0.04 1.61 4.81 -1.26 -3.95 118.16 121.30 1q3z n LYS 20 Ca 0.00 0.67 -0.05 0.00 -0.87 0.00 0.00 58.31 58.07 1q3z n LYS 20 Cb 0.00 -2.38 -0.10 0.00 0.02 0.00 0.00 35.03 32.57 1q3z n LYS 20 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1q3z h GLU 21 N 2.00 0.00 -1.29 1.64 3.07 -1.94 -2.07 114.58 116.00 1q3z h GLU 21 Ca -0.48 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 57.70 1q3z h GLU 21 Cb 1.30 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 28.89 1q3z h GLU 21 CO 0.59 0.64 0.58 0.41 -1.40 0.00 0.00 179.01 179.83 1q3z n GLY 22 N 1.40 5.86 0.31 -3.84 0.00 -1.26 -4.48 105.19 103.17 1q3z n GLY 22 Ca -0.06 -2.44 0.08 0.00 0.00 0.00 0.00 46.02 43.60 1q3z n GLY 22 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1q3z n HIS 23 N -0.75 0.05 -2.81 1.61 -0.00 -1.25 -4.86 115.22 107.20 1q3z n HIS 23 Ca 0.56 -1.19 -0.03 0.00 0.46 0.00 0.00 57.72 57.51 1q3z n HIS 23 Cb 0.58 -0.20 -0.03 0.00 -0.12 0.00 0.00 29.99 30.23 1q3z n HIS 23 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1q3z n THR 24 N -1.29 -7.98 -0.95 3.57 -2.24 -1.26 -3.04 114.28 101.09 1q3z n THR 24 Ca 0.18 1.64 -0.27 0.00 -2.27 0.00 0.00 64.05 63.32 1q3z n THR 24 Cb 0.67 -4.88 -0.03 0.00 -2.10 0.00 0.00 70.33 64.00 1q3z n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q3z n ALA 25 N 2.05 5.81 0.06 6.98 0.00 -1.26 -2.25 120.51 131.91 1q3z n ALA 25 Ca -0.25 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.67 1q3z n ALA 25 Cb 0.39 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.75 1q3z n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q3z n ARG 26 N 3.86 0.00 0.00 0.00 3.00 -1.26 -4.29 116.66 117.97 1q3z n ARG 26 Ca 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.41 1q3z n ARG 26 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.66 1q3z n ARG 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1q3z n ASN 27 N -2.80 0.82 -3.47 0.55 4.13 -1.23 -5.00 115.26 108.27 1q3z n ASN 27 Ca 0.00 -1.27 -0.19 0.00 1.68 0.00 0.00 54.58 54.80 1q3z n ASN 27 Cb 0.00 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.27 1q3z n ASN 27 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1q3z n HIS 28 N -0.13 -2.31 -2.99 3.10 -0.00 -0.95 -5.00 115.22 106.94 1q3z n HIS 28 Ca 0.00 0.76 0.00 0.00 0.46 0.00 0.00 57.72 58.94 1q3z n HIS 28 Cb 0.24 -3.62 0.00 0.00 -0.12 0.00 0.00 29.99 26.49 1q3z n HIS 28 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1q3z n ARG 29 N -3.13 0.00 -3.43 1.57 5.12 -1.17 -4.97 116.66 110.65 1q3z n ARG 29 Ca -0.10 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.62 1q3z n ARG 29 Cb 0.59 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.95 1q3z n ARG 29 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1q3z n ALA 30 N -3.00 -2.36 0.00 7.54 0.00 -1.26 -4.34 120.51 117.09 1q3z n ALA 30 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 1q3z n ALA 30 Cb 0.00 -4.40 -0.11 0.00 0.00 0.00 0.00 19.45 14.94 1q3z n ALA 30 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1q3z h PRO 31 N -1.49 0.39 -1.88 0.00 0.13 -1.93 -3.47 132.00 123.76 1q3z h PRO 31 Ca -0.62 -0.42 0.08 0.00 -0.87 0.00 0.00 66.00 64.17 1q3z h PRO 31 Cb 1.33 0.12 -0.21 0.00 0.13 0.00 0.00 31.00 32.37 1q3z h PRO 31 CO 0.48 1.09 -0.05 0.50 -0.23 0.00 0.00 178.00 179.79 1q3z s ARG 32 N -3.20 0.57 0.38 0.86 3.00 -1.26 -5.12 118.95 114.18 1q3z s ARG 32 Ca -0.13 1.31 0.00 0.00 -1.00 0.00 0.00 55.73 55.91 1q3z s ARG 32 Cb 0.03 0.66 0.00 0.00 0.00 0.00 0.00 34.95 35.64 1q3z s ARG 32 CO 0.82 -0.18 0.00 1.17 0.00 0.00 0.00 175.30 177.11 1q3z n LYS 33 N 5.12 -2.08 -0.07 5.12 0.00 -1.26 -4.59 118.16 120.40 1q3z n LYS 33 Ca -0.14 1.70 -0.10 0.00 0.00 0.00 0.00 58.31 59.77 1q3z n LYS 33 Cb 0.52 -2.38 -0.15 0.00 0.00 0.00 0.00 35.03 33.02 1q3z n LYS 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1q3z n LYS 34 N -3.27 0.67 0.00 1.64 0.00 -1.26 -4.86 118.16 111.08 1q3z n LYS 34 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 58.31 58.38 1q3z n LYS 34 Cb 0.40 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1q3z n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q3z n GLY 35 N 1.70 0.38 1.79 3.14 0.00 -1.26 -4.84 105.19 106.09 1q3z n GLY 35 Ca -0.27 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 44.87 1q3z n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3z n TRP 37 N 0.73 -0.26 0.00 0.00 -0.00 -1.26 -3.74 117.44 112.90 1q3z n TRP 37 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.76 1q3z n TRP 37 Cb 1.10 -2.77 0.00 0.00 -0.00 0.00 0.00 31.31 29.64 1q3z n TRP 37 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1q3z n LYS 38 N -1.90 0.00 -0.08 5.87 2.85 -1.26 -4.97 118.16 118.67 1q3z n LYS 38 Ca -0.15 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 56.99 1q3z n LYS 38 Cb 0.50 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.73 1q3z n LYS 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1q3z n GLY 40 N 1.83 0.89 3.87 0.00 0.00 -1.26 -4.92 105.19 105.60 1q3z n GLY 40 Ca -0.32 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 1q3z n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q3z s LYS 41 N -2.11 3.19 -0.13 1.61 2.36 -1.26 -4.76 119.74 118.65 1q3z s LYS 41 Ca 0.00 -0.69 0.16 0.00 -2.55 0.00 0.00 55.97 52.90 1q3z s LYS 41 Cb 0.00 -2.84 -0.23 0.00 -1.05 0.00 0.00 37.83 33.71 1q3z s LYS 41 CO 0.00 0.52 0.16 0.39 1.55 0.00 0.00 175.35 177.97 1q3z n GLU 42 N -0.28 1.01 -0.30 4.03 1.02 -1.26 -2.49 120.64 122.37 1q3z n GLU 42 Ca -0.07 -0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.09 1q3z n GLU 42 Cb 0.54 -1.44 0.23 0.00 -0.02 0.00 0.00 31.44 30.75 1q3z n GLU 42 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1q3z h GLY 43 N 3.39 1.40 -1.01 0.62 0.00 -1.96 -3.43 103.07 102.08 1q3z h GLY 43 Ca -0.33 -0.25 -0.60 0.00 0.00 0.00 0.00 47.33 46.15 1q3z h GLY 43 CO 0.02 -0.06 -0.53 -2.38 0.00 0.00 0.00 176.54 173.58 1q3z s HIS 44 N -5.96 1.91 0.00 5.60 0.00 -1.26 -5.15 115.29 110.43 1q3z s HIS 44 Ca -0.12 -1.06 0.00 0.00 -3.00 0.00 0.00 55.06 50.88 1q3z s HIS 44 Cb 0.22 -1.41 0.00 0.00 -4.00 0.00 0.00 32.58 27.39 1q3z s HIS 44 CO 0.78 0.02 0.00 1.04 -1.00 0.00 0.00 174.74 175.58 1q3z n GLN 45 N -1.03 3.97 0.07 -0.38 6.02 -1.26 -4.25 117.38 120.51 1q3z n GLN 45 Ca -0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.85 1q3z n GLN 45 Cb 0.66 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.85 1q3z n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q3z h MET 46 N 0.00 0.00 0.00 -1.09 -0.00 -1.69 -3.24 114.93 108.91 1q3z h MET 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1q3z h MET 46 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1q3z h MET 46 CO 0.00 0.67 -0.47 1.57 -0.00 0.00 0.00 176.91 178.68 1q3z h LYS 47 N 0.00 0.00 -0.67 -0.10 2.10 -1.95 -3.31 116.57 112.65 1q3z h LYS 47 Ca -0.07 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 58.14 1q3z h LYS 47 Cb 1.67 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 32.73 1q3z h LYS 47 CO 0.09 0.00 -0.04 -0.25 -2.00 0.00 0.00 179.45 177.25 1q3z n ASP 48 N -2.37 4.54 -3.83 7.07 8.00 -1.23 -4.95 116.55 123.77 1q3z n ASP 48 Ca 0.03 -3.77 -0.20 0.00 0.71 0.00 0.00 54.79 51.56 1q3z n ASP 48 Cb 0.47 -0.64 -0.17 0.00 -0.02 0.00 0.00 41.12 40.76 1q3z n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q3z h THR 50 N 6.23 0.00 -6.03 0.00 2.02 -1.92 -3.48 112.91 109.72 1q3z h THR 50 Ca -0.32 -0.74 -0.40 0.00 0.77 0.00 0.00 66.41 65.72 1q3z h THR 50 Cb 1.14 0.00 0.08 0.00 -1.74 0.00 0.00 68.15 67.63 1q3z h THR 50 CO 0.39 0.00 -0.87 1.21 0.37 0.00 0.00 175.52 176.63 1q3z n GLU 51 N -4.00 -3.48 -3.64 6.66 2.13 -1.26 -2.51 120.64 114.54 1q3z n GLU 51 Ca -0.05 0.61 -0.24 0.00 0.66 0.00 0.00 57.16 58.14 1q3z n GLU 51 Cb 0.19 -4.99 0.04 0.00 0.27 0.00 0.00 31.44 26.95 1q3z n GLU 51 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1q3z n ARG 52 N -4.09 -3.30 0.00 5.31 1.74 -1.26 -5.09 116.66 109.98 1q3z n ARG 52 Ca -0.21 0.60 0.15 0.00 -0.77 0.00 0.00 57.85 57.62 1q3z n ARG 52 Cb 0.65 -4.93 0.81 0.00 -1.02 0.00 0.00 32.46 27.97 1q3z n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11