#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bq0 n LYS 2 N 0.00 2.01 -3.73 0.00 4.01 -1.26 -4.93 118.16 114.26 1bq0 n LYS 2 Ca 0.00 -3.13 -0.24 0.00 -0.51 0.00 0.00 58.31 54.43 1bq0 n LYS 2 Cb 0.00 -1.85 -0.17 0.00 -0.51 0.00 0.00 35.03 32.50 1bq0 n LYS 2 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1bq0 s GLN 3 N -3.20 0.46 1.10 1.97 1.11 -1.26 -5.14 119.66 114.70 1bq0 s GLN 3 Ca 0.45 0.04 -0.17 0.00 0.01 0.00 0.00 55.36 55.70 1bq0 s GLN 3 Cb 0.40 -1.18 0.16 0.00 -1.01 0.00 0.00 33.01 31.39 1bq0 s GLN 3 CO 0.02 -0.40 0.24 -3.47 0.01 0.00 0.00 175.29 171.68 1bq0 n ASP 4 N 5.17 -2.88 -0.73 5.90 2.03 -1.26 -4.92 116.55 119.86 1bq0 n ASP 4 Ca -0.07 -0.34 0.07 0.00 0.52 0.00 0.00 54.79 54.98 1bq0 n ASP 4 Cb 0.49 -0.86 0.21 0.00 -0.72 0.00 0.00 41.12 40.24 1bq0 n ASP 4 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1bq0 n TYR 5 N -4.56 0.69 -0.06 -0.67 4.01 -1.26 -4.39 117.16 110.93 1bq0 n TYR 5 Ca 0.04 -0.73 -0.15 0.00 -0.16 0.00 0.00 57.90 56.90 1bq0 n TYR 5 Cb 0.48 -0.19 -0.13 0.00 -0.31 0.00 0.00 39.34 39.19 1bq0 n TYR 5 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 1bq0 h TYR 6 N 1.73 0.07 -0.00 -0.72 -0.00 -1.91 -3.31 116.97 112.83 1bq0 h TYR 6 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 58.73 58.56 1bq0 h TYR 6 Cb 1.13 -0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.84 1bq0 h TYR 6 CO 0.36 1.06 -0.59 1.49 -0.00 0.00 0.00 178.16 180.48 1bq0 h GLU 7 N -0.92 0.01 -0.83 0.10 4.22 -1.85 -2.88 114.58 112.43 1bq0 h GLU 7 Ca -0.03 -0.01 0.24 0.00 0.08 0.00 0.00 59.36 59.64 1bq0 h GLU 7 Cb 1.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1bq0 h GLU 7 CO 0.01 0.59 0.81 0.82 -2.18 0.00 0.00 179.01 179.07 1bq0 h ILE 8 N 0.01 0.24 -0.80 2.32 5.03 -1.76 1.41 117.51 123.96 1bq0 h ILE 8 Ca -0.01 0.00 -0.35 0.00 -0.12 0.00 0.00 64.86 64.38 1bq0 h ILE 8 Cb 1.04 0.37 -0.21 0.00 -3.03 0.00 0.00 36.82 34.99 1bq0 h ILE 8 CO 0.08 0.00 0.41 0.18 -0.68 0.00 0.00 178.15 178.13 1bq0 n LEU 9 N -3.65 6.08 -3.47 1.44 4.77 -1.09 -4.95 117.00 116.12 1bq0 n LEU 9 Ca 0.17 -3.49 -0.19 0.00 -0.03 0.00 0.00 56.01 52.47 1bq0 n LEU 9 Cb 1.09 -0.77 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1bq0 n LEU 9 CO 0.29 0.99 -0.07 0.61 -1.33 0.00 0.00 177.39 177.88 1bq0 n GLY 10 N -0.80 -1.04 0.00 -0.72 0.00 0.48 -4.47 105.19 98.65 1bq0 n GLY 10 Ca 0.49 0.73 0.00 0.00 0.00 0.00 0.00 46.02 47.24 1bq0 n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bq0 n VAL 11 N -1.78 0.00 -0.19 1.61 0.31 -1.25 -4.79 118.33 112.25 1bq0 n VAL 11 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1bq0 n VAL 11 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1bq0 n VAL 11 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bq0 n SER 12 N 0.00 0.34 0.00 4.52 2.88 -1.26 -4.73 113.62 115.36 1bq0 n SER 12 Ca 0.00 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 1bq0 n SER 12 Cb 0.00 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1bq0 n SER 12 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1bq0 n LYS 13 N -0.30 0.00 -0.06 -1.46 2.85 -1.26 -4.51 118.16 113.42 1bq0 n LYS 13 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 1bq0 n LYS 13 Cb 0.05 -0.14 0.41 0.00 -0.65 0.00 0.00 35.03 34.70 1bq0 n LYS 13 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1bq0 n THR 14 N 0.00 0.17 -0.17 0.58 -2.24 -1.26 -4.87 114.28 106.49 1bq0 n THR 14 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1bq0 n THR 14 Cb 0.00 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1bq0 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bq0 n ALA 15 N 0.23 0.00 -2.24 6.98 0.00 -1.26 -5.09 120.51 119.13 1bq0 n ALA 15 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1bq0 n ALA 15 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1bq0 n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bq0 n GLU 16 N -0.39 0.00 -0.02 0.00 1.02 -1.26 -4.77 120.64 115.22 1bq0 n GLU 16 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1bq0 n GLU 16 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1bq0 n GLU 16 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bq0 n GLU 17 N 0.00 0.63 -0.31 3.49 -0.58 -1.26 -3.39 120.64 119.22 1bq0 n GLU 17 Ca 0.00 0.30 0.20 0.00 -0.42 0.00 0.00 57.16 57.24 1bq0 n GLU 17 Cb 0.00 -1.79 0.47 0.00 -0.57 0.00 0.00 31.44 29.55 1bq0 n GLU 17 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 1bq0 h ARG 18 N 0.00 0.46 0.00 3.49 -0.00 -1.99 0.44 114.38 116.78 1bq0 h ARG 18 Ca -0.29 -0.03 -0.41 0.00 -0.00 0.00 0.00 59.98 59.26 1bq0 h ARG 18 Cb 2.01 -0.10 -0.07 0.00 -0.00 0.00 0.00 29.97 31.81 1bq0 h ARG 18 CO 0.08 0.30 -2.48 -1.91 -0.00 0.00 0.00 179.97 175.96 1bq0 n GLU 19 N -4.63 0.62 0.18 0.08 2.13 -1.26 -3.80 120.64 113.96 1bq0 n GLU 19 Ca 0.23 0.18 0.11 0.00 0.66 0.00 0.00 57.16 58.34 1bq0 n GLU 19 Cb 0.77 -1.50 0.59 0.00 0.27 0.00 0.00 31.44 31.57 1bq0 n GLU 19 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1bq0 h ILE 20 N -0.27 0.00 0.15 6.31 5.03 -1.52 2.54 117.51 129.75 1bq0 h ILE 20 Ca -0.61 0.00 -0.36 0.00 -0.12 0.00 0.00 64.86 63.78 1bq0 h ILE 20 Cb 1.81 0.48 -0.01 0.00 -3.03 0.00 0.00 36.82 36.07 1bq0 h ILE 20 CO -0.18 0.00 -1.88 0.08 -0.68 0.00 0.00 178.15 175.48 1bq0 h ARG 21 N 0.00 0.31 0.00 2.37 0.11 -0.26 -2.36 114.38 114.55 1bq0 h ARG 21 Ca 0.00 -0.54 -0.13 0.00 0.10 0.00 0.00 59.98 59.42 1bq0 h ARG 21 Cb 0.13 0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.39 1bq0 h ARG 21 CO 0.00 1.24 -1.54 0.36 0.10 0.00 0.00 179.97 180.13 1bq0 n LYS 22 N -3.52 0.63 -0.03 0.08 2.85 -0.59 -3.31 118.16 114.27 1bq0 n LYS 22 Ca -0.28 0.10 -0.12 0.00 -1.05 0.00 0.00 58.31 56.96 1bq0 n LYS 22 Cb 1.06 -1.73 -0.10 0.00 -0.65 0.00 0.00 35.03 33.61 1bq0 n LYS 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bq0 h ALA 23 N 1.60 -0.04 -0.89 0.58 0.00 0.42 2.10 119.26 123.02 1bq0 h ALA 23 Ca -0.15 -0.35 0.16 0.00 0.00 0.00 0.00 54.91 54.58 1bq0 h ALA 23 Cb 1.44 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 1bq0 h ALA 23 CO 0.03 -0.12 0.58 -0.92 0.00 0.00 0.00 179.25 178.82 1bq0 h TYR 24 N -0.86 0.74 0.14 0.00 3.20 -1.49 0.86 116.97 119.56 1bq0 h TYR 24 Ca -0.00 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.61 1bq0 h TYR 24 Cb 0.72 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1bq0 h TYR 24 CO 0.18 0.24 -1.38 0.87 -1.64 0.00 0.00 178.16 176.43 1bq0 h LYS 25 N 0.60 0.29 -0.05 1.82 1.57 -1.54 -3.11 116.57 116.16 1bq0 h LYS 25 Ca 0.46 -0.50 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1bq0 h LYS 25 Cb 0.87 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1bq0 h LYS 25 CO -0.21 1.24 -0.44 -0.09 -0.57 0.00 0.00 179.45 179.38 1bq0 h ARG 26 N -0.23 0.10 0.02 3.15 9.65 0.43 -2.84 114.38 124.66 1bq0 h ARG 26 Ca -0.29 -0.05 -0.22 0.00 -1.10 0.00 0.00 59.98 58.32 1bq0 h ARG 26 Cb 1.82 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 30.37 1bq0 h ARG 26 CO 0.10 0.53 -1.08 1.25 2.80 0.00 0.00 179.97 183.57 1bq0 h LEU 27 N 0.09 0.06 -0.86 3.80 7.12 0.57 -3.25 115.31 122.85 1bq0 h LEU 27 Ca 0.00 -0.06 -0.12 0.00 0.13 0.00 0.00 57.88 57.83 1bq0 h LEU 27 Cb 0.82 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.92 1bq0 h LEU 27 CO 0.06 1.05 -0.55 0.00 -0.13 0.00 0.00 178.44 178.88 1bq0 h ALA 28 N 0.94 1.05 -0.83 1.25 0.00 -1.48 -2.60 119.26 117.59 1bq0 h ALA 28 Ca -0.05 -0.50 0.16 0.00 0.00 0.00 0.00 54.91 54.52 1bq0 h ALA 28 Cb 1.81 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.42 1bq0 h ALA 28 CO 0.14 0.69 0.39 0.52 0.00 0.00 0.00 179.25 180.98 1bq0 h MET 29 N 0.05 0.51 0.00 0.00 2.86 -1.53 2.83 114.93 119.65 1bq0 h MET 29 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1bq0 h MET 29 Cb 0.98 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1bq0 h MET 29 CO 0.07 0.34 0.14 0.87 1.06 0.00 0.00 176.91 179.40 1bq0 h LYS 30 N 0.53 0.00 0.00 1.72 1.57 -1.58 -2.80 116.57 116.01 1bq0 h LYS 30 Ca 0.47 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 59.00 1bq0 h LYS 30 Cb 0.72 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 1bq0 h LYS 30 CO -0.41 0.00 -1.84 0.66 -0.57 0.00 0.00 179.45 177.30 1bq0 n TYR 31 N -2.60 0.00 -0.77 -1.35 4.01 0.80 -4.94 117.16 112.31 1bq0 n TYR 31 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 1bq0 n TYR 31 Cb 0.19 -0.54 -0.10 0.00 -0.31 0.00 0.00 39.34 38.58 1bq0 n TYR 31 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bq0 n HIS 32 N -3.58 0.15 0.30 -0.72 8.25 0.64 -4.63 115.22 115.65 1bq0 n HIS 32 Ca -0.29 0.10 0.18 0.00 -0.26 0.00 0.00 57.72 57.45 1bq0 n HIS 32 Cb 0.72 -0.77 0.83 0.00 1.12 0.00 0.00 29.99 31.89 1bq0 n HIS 32 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1bq0 h PRO 33 N 5.94 0.00 0.00 -0.41 0.13 -1.88 -3.46 132.00 132.32 1bq0 h PRO 33 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1bq0 h PRO 33 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1bq0 h PRO 33 CO 0.77 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 175.07 1bq0 n ASP 34 N -2.95 0.00 -0.15 1.44 2.03 -1.26 -4.46 116.55 111.20 1bq0 n ASP 34 Ca -0.01 0.00 0.29 0.00 0.52 0.00 0.00 54.79 55.59 1bq0 n ASP 34 Cb 0.21 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.31 1bq0 n ASP 34 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1bq0 h ARG 35 N 0.00 0.00 0.00 -0.67 0.11 -1.98 -3.37 114.38 108.46 1bq0 h ARG 35 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bq0 h ARG 35 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1bq0 h ARG 35 CO 0.00 0.00 0.00 -1.71 0.10 0.00 0.00 179.97 178.36 1bq0 n ASN 36 N -3.92 0.00 0.00 0.08 5.15 -1.26 -5.14 115.26 110.17 1bq0 n ASN 36 Ca 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1bq0 n ASN 36 Cb 1.04 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.29 1bq0 n ASN 36 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bq0 n GLN 37 N 0.00 0.00 -0.61 1.20 6.02 -1.26 -5.00 117.38 117.74 1bq0 n GLN 37 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1bq0 n GLN 37 Cb 0.00 0.00 0.23 0.00 1.02 0.00 0.00 30.24 31.49 1bq0 n GLN 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bq0 n GLY 38 N 0.00 2.66 0.69 1.08 0.00 -1.26 -3.91 105.19 104.44 1bq0 n GLY 38 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1bq0 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bq0 n ASP 39 N 0.21 0.00 -0.53 1.61 8.00 -1.26 -4.24 116.55 120.34 1bq0 n ASP 39 Ca 0.21 0.00 0.45 0.00 0.71 0.00 0.00 54.79 56.16 1bq0 n ASP 39 Cb 0.93 0.00 0.78 0.00 -0.02 0.00 0.00 41.12 42.81 1bq0 n ASP 39 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1bq0 h LYS 40 N 0.00 0.00 0.00 -1.24 1.79 -1.96 2.05 116.57 117.20 1bq0 h LYS 40 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1bq0 h LYS 40 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1bq0 h LYS 40 CO 0.00 0.00 -1.61 -1.91 -1.08 0.00 0.00 179.45 174.85 1bq0 n GLU 41 N -4.01 0.92 0.13 3.15 0.00 -1.26 -4.37 120.64 115.21 1bq0 n GLU 41 Ca 0.36 -0.08 0.12 0.00 0.00 0.00 0.00 57.16 57.56 1bq0 n GLU 41 Cb 1.68 -1.28 0.23 0.00 0.00 0.00 0.00 31.44 32.06 1bq0 n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bq0 h ALA 42 N 0.93 0.85 -0.30 4.31 0.00 -0.23 -3.15 119.26 121.66 1bq0 h ALA 42 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1bq0 h ALA 42 Cb 0.89 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1bq0 h ALA 42 CO 0.01 0.00 -0.02 1.49 0.00 0.00 0.00 179.25 180.72 1bq0 h GLU 43 N 0.00 0.06 0.11 0.00 4.81 0.28 0.54 114.58 120.39 1bq0 h GLU 43 Ca 0.00 -0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1bq0 h GLU 43 Cb 0.86 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1bq0 h GLU 43 CO 0.00 0.04 -1.24 0.00 -0.73 0.00 0.00 179.01 177.08 1bq0 h ALA 44 N 1.28 0.11 -0.01 2.92 0.00 -1.81 -3.29 119.26 118.46 1bq0 h ALA 44 Ca 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1bq0 h ALA 44 Cb 0.21 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1bq0 h ALA 44 CO -0.27 0.70 0.02 -0.22 0.00 0.00 0.00 179.25 179.48 1bq0 h LYS 45 N -0.36 0.00 -0.17 0.00 1.63 -1.50 0.38 116.57 116.55 1bq0 h LYS 45 Ca -0.26 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.50 1bq0 h LYS 45 Cb 1.70 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.32 1bq0 h LYS 45 CO 0.07 0.00 -0.06 0.74 -3.45 0.00 0.00 179.45 176.75 1bq0 h PHE 46 N 0.00 0.25 0.00 1.91 -1.00 0.03 0.73 116.94 118.87 1bq0 h PHE 46 Ca 0.01 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1bq0 h PHE 46 Cb 0.04 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.53 1bq0 h PHE 46 CO 0.00 0.31 0.00 0.36 -1.61 0.00 0.00 178.31 177.37 1bq0 n LYS 47 N -4.34 0.10 0.00 1.51 2.85 0.13 0.28 118.16 118.70 1bq0 n LYS 47 Ca -0.00 0.20 -0.21 0.00 -1.05 0.00 0.00 58.31 57.24 1bq0 n LYS 47 Cb 0.21 -1.65 -0.14 0.00 -0.65 0.00 0.00 35.03 32.81 1bq0 n LYS 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1bq0 n GLU 48 N -1.83 0.76 -0.04 -1.58 1.02 0.23 -3.85 120.64 115.34 1bq0 n GLU 48 Ca 0.05 0.26 -0.06 0.00 -0.02 0.00 0.00 57.16 57.39 1bq0 n GLU 48 Cb 0.30 -1.70 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 1bq0 n GLU 48 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1bq0 n ILE 49 N -3.47 0.51 0.22 -3.67 -0.00 0.42 -3.69 119.36 109.68 1bq0 n ILE 49 Ca -0.32 -0.20 0.10 0.00 -0.00 0.00 0.00 62.75 62.32 1bq0 n ILE 49 Cb 1.05 -0.82 0.41 0.00 -0.00 0.00 0.00 39.64 40.28 1bq0 n ILE 49 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1bq0 h LYS 50 N 0.00 0.00 0.06 0.38 3.11 0.40 2.34 116.57 122.87 1bq0 h LYS 50 Ca -0.20 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.32 1bq0 h LYS 50 Cb 1.32 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.52 1bq0 h LYS 50 CO -0.03 0.22 -1.79 1.49 -2.81 0.00 0.00 179.45 176.53 1bq0 h GLU 51 N 0.00 0.13 0.03 1.90 4.57 0.43 -3.02 114.58 118.62 1bq0 h GLU 51 Ca -0.00 -0.23 -0.21 0.00 -1.18 0.00 0.00 59.36 57.73 1bq0 h GLU 51 Cb 0.81 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 1bq0 h GLU 51 CO 0.03 0.86 -1.15 0.00 -1.18 0.00 0.00 179.01 177.56 1bq0 h ALA 52 N 0.58 0.22 0.00 2.92 0.00 -1.60 -3.34 119.26 118.05 1bq0 h ALA 52 Ca -0.33 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.49 1bq0 h ALA 52 Cb 2.02 0.58 0.00 0.00 0.00 0.00 0.00 17.79 20.39 1bq0 h ALA 52 CO 0.09 0.66 0.00 2.48 0.00 0.00 0.00 179.25 182.49 1bq0 n TYR 53 N -4.29 0.00 0.65 0.00 4.11 0.79 -2.97 117.16 115.44 1bq0 n TYR 53 Ca -0.27 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 57.75 1bq0 n TYR 53 Cb 0.72 0.00 0.46 0.00 -0.00 0.00 0.00 39.34 40.52 1bq0 n TYR 53 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1bq0 n GLU 54 N -0.82 0.16 -0.01 -3.48 2.13 -1.14 -3.54 120.64 113.94 1bq0 n GLU 54 Ca 0.13 0.21 -0.01 0.00 0.66 0.00 0.00 57.16 58.15 1bq0 n GLU 54 Cb 0.06 -1.71 -0.03 0.00 0.27 0.00 0.00 31.44 30.02 1bq0 n GLU 54 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1bq0 n VAL 55 N -1.99 0.18 0.23 6.31 3.14 -1.16 -4.36 118.33 120.68 1bq0 n VAL 55 Ca 0.05 -0.14 0.12 0.00 -2.96 0.00 0.00 64.34 61.40 1bq0 n VAL 55 Cb 0.34 -0.52 0.62 0.00 -1.06 0.00 0.00 33.84 33.22 1bq0 n VAL 55 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1bq0 h LEU 56 N 0.00 0.00 0.00 6.55 -0.00 -1.61 0.17 115.31 120.42 1bq0 h LEU 56 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1bq0 h LEU 56 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 1bq0 h LEU 56 CO 0.00 0.00 -1.59 1.07 -0.00 0.00 0.00 178.44 177.92 1bq0 n THR 57 N -2.43 0.00 -3.20 0.22 5.66 -1.25 -4.14 114.28 109.14 1bq0 n THR 57 Ca -0.02 -0.32 -0.18 0.00 -3.05 0.00 0.00 64.05 60.48 1bq0 n THR 57 Cb 0.25 0.23 -0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1bq0 n THR 57 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1bq0 s ASP 58 N -3.59 5.44 -0.08 1.09 2.15 0.58 -4.78 116.67 117.47 1bq0 s ASP 58 Ca -0.04 -0.55 0.07 0.00 0.43 0.00 0.00 52.55 52.46 1bq0 s ASP 58 Cb 0.10 -0.59 -0.10 0.00 -0.30 0.00 0.00 42.92 42.03 1bq0 s ASP 58 CO 0.61 -0.75 0.02 -0.24 -0.17 0.00 0.00 175.17 174.65 1bq0 n SER 59 N -1.77 3.02 0.20 -0.34 2.88 -1.26 -4.11 113.62 112.24 1bq0 n SER 59 Ca 0.07 -0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.67 1bq0 n SER 59 Cb 0.60 0.64 0.36 0.00 -0.75 0.00 0.00 64.21 65.06 1bq0 n SER 59 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1bq0 h GLN 60 N 0.00 0.00 0.13 -1.46 3.07 -1.96 -3.08 115.11 111.81 1bq0 h GLN 60 Ca -0.22 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.20 1bq0 h GLN 60 Cb 1.49 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.04 1bq0 h GLN 60 CO 0.01 0.34 -1.63 0.87 0.09 0.00 0.00 178.83 178.51 1bq0 h LYS 61 N 0.00 0.28 -0.91 0.06 1.57 -1.87 -3.32 116.57 112.37 1bq0 h LYS 61 Ca -0.00 -0.47 0.20 0.00 -1.87 0.00 0.00 60.65 58.50 1bq0 h LYS 61 Cb 0.87 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 33.25 1bq0 h LYS 61 CO 0.04 1.14 0.46 0.00 -0.57 0.00 0.00 179.45 180.53 1bq0 h ARG 62 N 0.08 0.53 -0.59 3.15 2.47 -1.69 1.66 114.38 119.99 1bq0 h ARG 62 Ca -0.28 -0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.49 1bq0 h ARG 62 Cb 2.04 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 30.20 1bq0 h ARG 62 CO 0.16 0.35 0.39 0.00 0.56 0.00 0.00 179.97 181.43 1bq0 h ALA 63 N 1.65 1.94 0.06 0.04 0.00 -1.65 2.19 119.26 123.50 1bq0 h ALA 63 Ca 0.54 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 55.14 1bq0 h ALA 63 Cb 0.93 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1bq0 h ALA 63 CO -0.45 -0.06 -1.63 0.00 0.00 0.00 0.00 179.25 177.12 1bq0 h ALA 64 N 1.69 0.52 -0.04 0.00 0.00 0.65 -3.37 119.26 118.72 1bq0 h ALA 64 Ca 0.27 -1.29 -0.05 0.00 0.00 0.00 0.00 54.91 53.84 1bq0 h ALA 64 Cb 0.44 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1bq0 h ALA 64 CO -0.08 1.37 -0.17 -0.92 0.00 0.00 0.00 179.25 179.46 1bq0 h TYR 65 N 0.03 0.24 -1.56 0.00 5.03 0.33 0.60 116.97 121.65 1bq0 h TYR 65 Ca -0.27 -0.11 0.45 0.00 2.58 0.00 0.00 58.73 61.39 1bq0 h TYR 65 Cb 1.99 -0.04 -0.07 0.00 1.55 0.00 0.00 36.73 40.16 1bq0 h TYR 65 CO 0.03 0.81 1.11 0.38 -1.32 0.00 0.00 178.16 179.17 1bq0 h ASP 66 N -0.39 0.03 0.00 -2.11 3.04 0.34 -3.36 116.42 113.97 1bq0 h ASP 66 Ca -0.01 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1bq0 h ASP 66 Cb 0.82 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.12 1bq0 h ASP 66 CO 0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 179.24 177.22 1bq0 n GLN 67 N -4.12 0.00 -3.07 4.15 1.13 -1.21 -5.08 117.38 109.19 1bq0 n GLN 67 Ca 0.35 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 55.24 1bq0 n GLN 67 Cb 1.60 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 31.94 1bq0 n GLN 67 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1bq0 n TYR 68 N 0.00 -0.86 0.10 1.08 4.01 0.21 -4.58 117.16 117.11 1bq0 n TYR 68 Ca 0.00 -3.24 -0.04 0.00 -0.16 0.00 0.00 57.90 54.45 1bq0 n TYR 68 Cb 0.00 0.16 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 1bq0 n TYR 68 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1bq0 h GLY 69 N 3.38 -0.30 -6.90 2.72 0.00 -1.90 -3.43 103.07 96.64 1bq0 h GLY 69 Ca 0.03 0.11 -0.60 0.00 0.00 0.00 0.00 47.33 46.88 1bq0 h GLY 69 CO 0.41 -0.11 -0.77 -1.58 0.00 0.00 0.00 176.54 174.49 1bq0 s HIS 70 N -2.59 1.55 -0.60 5.60 5.65 -1.26 -4.83 115.29 118.82 1bq0 s HIS 70 Ca -0.04 -2.06 0.00 0.00 0.25 0.00 0.00 55.06 53.21 1bq0 s HIS 70 Cb 0.00 -1.57 0.00 0.00 -1.18 0.00 0.00 32.58 29.83 1bq0 s HIS 70 CO 0.13 -0.81 0.00 0.00 -0.65 0.00 0.00 174.74 173.40 1bq0 n ALA 71 N 3.93 -0.74 -0.37 1.58 0.00 -1.26 -4.76 120.51 118.90 1bq0 n ALA 71 Ca 0.07 0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.52 1bq0 n ALA 71 Cb 0.36 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 1bq0 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq0 h ALA 72 N 1.07 -0.17 -1.83 0.00 0.00 -1.88 -2.36 119.26 114.09 1bq0 h ALA 72 Ca -0.15 0.20 -0.58 0.00 0.00 0.00 0.00 54.91 54.37 1bq0 h ALA 72 Cb 0.99 1.14 -0.42 0.00 0.00 0.00 0.00 17.79 19.50 1bq0 h ALA 72 CO 0.19 -0.78 -0.71 1.19 0.00 0.00 0.00 179.25 179.14 1bq0 n PHE 73 N -5.38 3.59 0.34 0.00 3.72 -1.26 -4.88 117.46 113.58 1bq0 n PHE 73 Ca 0.06 -3.49 -0.14 0.00 -0.05 0.00 0.00 57.45 53.83 1bq0 n PHE 73 Cb 0.34 -0.26 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 1bq0 n PHE 73 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1bq0 h GLU 74 N 2.76 -0.87 -0.65 -1.08 4.57 -1.79 -3.46 114.58 114.07 1bq0 h GLU 74 Ca 0.22 0.06 0.14 0.00 -1.18 0.00 0.00 59.36 58.59 1bq0 h GLU 74 Cb 0.75 0.20 -0.20 0.00 -0.16 0.00 0.00 28.75 29.34 1bq0 h GLU 74 CO 0.82 -0.58 -0.15 1.14 -1.18 0.00 0.00 179.01 179.06 1bq0 s GLN 75 N -4.59 0.37 0.00 1.92 -2.07 -1.26 -5.01 119.66 109.02 1bq0 s GLN 75 Ca -0.13 0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.88 1bq0 s GLN 75 Cb 0.01 0.24 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 1bq0 s GLN 75 CO 0.40 -0.57 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 1bq0 n GLY 76 N 5.34 0.97 0.00 2.60 0.00 -1.26 -5.23 105.19 107.61 1bq0 n GLY 76 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93