#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 1.28 -3.95 0.00 4.01 -1.26 -5.07 118.16 113.16 1bq0 n LYS 2 Ca 0.00 -2.39 -0.34 0.00 -0.51 0.00 0.00 58.31 55.07 1bq0 n LYS 2 Cb 0.00 -0.54 -0.14 0.00 -0.51 0.00 0.00 35.03 33.84 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 -1.37 2.15 1.02 1.97 -0.21 -1.26 -5.10 119.66 116.86 1bq0 s GLN 3 Ca 0.22 -1.47 -0.23 0.00 0.02 0.00 0.00 55.36 53.90 1bq0 s GLN 3 Cb 0.42 -3.16 -0.12 0.00 1.00 0.00 0.00 33.01 31.14 1bq0 s GLN 3 CO -0.05 -0.73 -0.98 -3.47 -2.12 0.00 0.00 175.29 167.95 1bq0 n ASP 4 N 4.50 -3.60 -1.08 5.90 2.03 -1.26 -4.87 116.55 118.17 1bq0 n ASP 4 Ca -0.09 0.05 0.09 0.00 0.52 0.00 0.00 54.79 55.36 1bq0 n ASP 4 Cb 0.42 -0.69 0.26 0.00 -0.72 0.00 0.00 41.12 40.39 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 -3.41 0.85 0.13 -0.67 4.01 -1.26 -4.18 117.16 112.64 1bq0 n TYR 5 Ca -0.01 -0.54 -0.24 0.00 -0.16 0.00 0.00 57.90 56.95 1bq0 n TYR 5 Cb 0.67 -0.07 -0.15 0.00 -0.31 0.00 0.00 39.34 39.48 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 3.21 0.95 0.03 -0.72 -0.00 -1.89 -3.30 116.97 115.25 1bq0 h TYR 6 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 58.73 57.83 1bq0 h TYR 6 Cb 0.99 -0.04 -0.02 0.00 0.00 0.00 0.00 36.73 37.65 1bq0 h TYR 6 CO 0.43 1.53 -1.05 0.93 -0.00 0.00 0.00 178.16 180.00 1bq0 h GLU 7 N 0.11 0.06 -1.15 0.10 4.39 -1.86 -3.18 114.58 113.05 1bq0 h GLU 7 Ca -0.24 -0.11 0.33 0.00 0.34 0.00 0.00 59.36 59.69 1bq0 h GLU 7 Cb 2.09 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 30.73 1bq0 h GLU 7 CO 0.26 1.05 0.99 0.82 -1.16 0.00 0.00 179.01 180.96 1bq0 h ILE 8 N 0.02 0.21 -0.84 3.13 5.03 -1.72 2.16 117.51 125.49 1bq0 h ILE 8 Ca -0.04 0.00 -0.36 0.00 -0.12 0.00 0.00 64.86 64.34 1bq0 h ILE 8 Cb 1.81 0.27 -0.22 0.00 -3.03 0.00 0.00 36.82 35.65 1bq0 h ILE 8 CO 0.15 0.00 0.44 0.18 -0.68 0.00 0.00 178.15 178.23 1bq0 n LEU 9 N -3.79 6.25 -3.48 1.44 4.77 -1.20 -4.95 117.00 116.04 1bq0 n LEU 9 Ca 0.25 -3.46 -0.25 0.00 -0.03 0.00 0.00 56.01 52.53 1bq0 n LEU 9 Cb 1.35 -0.78 0.02 0.00 -2.33 0.00 0.00 43.42 41.68 1bq0 n LEU 9 CO 0.34 0.96 -0.14 0.61 -1.33 0.00 0.00 177.39 177.83 1bq0 n GLY 10 N -0.73 -0.77 0.00 -0.72 0.00 0.73 -4.67 105.19 99.02 1bq0 n GLY 10 Ca 0.50 0.87 0.00 0.00 0.00 0.00 0.00 46.02 47.39 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 -1.36 0.00 -0.14 1.61 0.31 -1.24 -4.86 118.33 112.66 1bq0 n VAL 11 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1bq0 n VAL 11 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 1bq0 n VAL 11 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1bq0 n SER 12 N 0.00 0.32 0.00 4.52 7.64 -1.26 -4.75 113.62 120.08 1bq0 n SER 12 Ca 0.00 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1bq0 n SER 12 Cb 0.00 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1bq0 n SER 12 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1bq0 n LYS 13 N -0.38 0.00 -0.07 1.43 2.85 -1.26 -4.52 118.16 116.22 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 0.03 -0.12 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 0.00 0.58 -2.24 -1.26 -4.80 114.28 106.73 1bq0 n THR 14 Ca 0.00 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1bq0 n THR 14 Cb 0.00 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.17 0.00 -2.34 6.98 0.00 -1.26 -5.09 120.51 118.97 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 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 0.00 0.00 0.01 0.00 1.02 -1.26 -4.68 120.64 115.74 1bq0 n GLU 16 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1bq0 n GLU 16 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.62 1bq0 n GLU 16 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bq0 n GLU 17 N 0.00 0.08 0.05 3.49 2.13 -1.26 -3.46 120.64 121.67 1bq0 n GLU 17 Ca 0.00 0.01 -0.06 0.00 0.66 0.00 0.00 57.16 57.78 1bq0 n GLU 17 Cb 0.00 -1.54 0.12 0.00 0.27 0.00 0.00 31.44 30.29 1bq0 n GLU 17 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1bq0 h ARG 18 N 0.00 0.38 0.00 5.31 -0.00 -1.99 -2.49 114.38 115.60 1bq0 h ARG 18 Ca 0.00 -0.22 -0.37 0.00 -0.00 0.00 0.00 59.98 59.39 1bq0 h ARG 18 Cb 0.56 0.02 -0.07 0.00 -0.00 0.00 0.00 29.97 30.49 1bq0 h ARG 18 CO 0.00 0.80 -2.39 -1.91 -0.00 0.00 0.00 179.97 176.47 1bq0 n GLU 19 N -3.96 0.60 0.22 0.08 2.13 -1.26 -3.79 120.64 114.67 1bq0 n GLU 19 Ca -0.02 0.15 0.14 0.00 0.66 0.00 0.00 57.16 58.09 1bq0 n GLU 19 Cb 0.56 -1.48 0.74 0.00 0.27 0.00 0.00 31.44 31.53 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 -0.08 0.00 0.11 6.31 5.03 -1.68 2.68 117.51 129.88 1bq0 h ILE 20 Ca -0.55 0.00 -0.33 0.00 -0.12 0.00 0.00 64.86 63.85 1bq0 h ILE 20 Cb 1.82 0.60 -0.02 0.00 -3.03 0.00 0.00 36.82 36.19 1bq0 h ILE 20 CO -0.11 0.00 -1.78 0.08 -0.68 0.00 0.00 178.15 175.66 1bq0 h ARG 21 N 0.00 0.23 0.00 2.37 0.11 -1.59 -0.90 114.38 114.60 1bq0 h ARG 21 Ca 0.00 -0.40 -0.22 0.00 0.10 0.00 0.00 59.98 59.46 1bq0 h ARG 21 Cb 0.10 0.15 -0.04 0.00 1.11 0.00 0.00 29.97 31.29 1bq0 h ARG 21 CO 0.00 1.07 -1.48 -0.22 0.10 0.00 0.00 179.97 179.45 1bq0 h LYS 22 N 0.06 0.00 0.12 0.08 3.11 -1.30 -3.04 116.57 115.61 1bq0 h LYS 22 Ca -0.34 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.50 1bq0 h LYS 22 Cb 2.04 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.27 1bq0 h LYS 22 CO 0.12 0.41 -0.06 0.00 -2.81 0.00 0.00 179.45 177.12 1bq0 h ALA 23 N 1.23 -0.16 -0.70 5.00 0.00 0.45 1.45 119.26 126.54 1bq0 h ALA 23 Ca -0.20 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.61 1bq0 h ALA 23 Cb 1.76 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.51 1bq0 h ALA 23 CO 0.06 -0.23 0.14 -0.92 0.00 0.00 0.00 179.25 178.30 1bq0 h TYR 24 N -0.87 0.21 -0.15 0.00 5.03 -1.26 0.89 116.97 120.81 1bq0 h TYR 24 Ca -0.02 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.25 1bq0 h TYR 24 Cb 0.55 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.84 1bq0 h TYR 24 CO 0.11 -0.09 -0.25 -0.22 -1.32 0.00 0.00 178.16 176.38 1bq0 h LYS 25 N 0.24 0.44 0.11 1.82 3.64 -1.53 0.30 116.57 121.60 1bq0 h LYS 25 Ca 0.38 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1bq0 h LYS 25 Cb 0.64 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1bq0 h LYS 25 CO -0.50 0.86 -0.14 0.00 -2.27 0.00 0.00 179.45 177.40 1bq0 h ARG 26 N 0.06 -0.28 0.00 1.90 2.47 0.41 -1.04 114.38 117.90 1bq0 h ARG 26 Ca 0.01 0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.69 1bq0 h ARG 26 Cb 0.83 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 1bq0 h ARG 26 CO 0.06 -0.19 -0.28 1.25 0.56 0.00 0.00 179.97 181.37 1bq0 h LEU 27 N -0.29 0.00 -0.92 3.04 7.12 0.65 -2.98 115.31 121.93 1bq0 h LEU 27 Ca 0.01 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.98 1bq0 h LEU 27 Cb 0.30 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 1bq0 h LEU 27 CO -0.06 0.28 -0.20 0.00 -0.13 0.00 0.00 178.44 178.33 1bq0 h ALA 28 N 1.72 0.97 -0.81 1.25 0.00 0.08 -3.01 119.26 119.47 1bq0 h ALA 28 Ca -0.00 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.92 1bq0 h ALA 28 Cb 0.99 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 1bq0 h ALA 28 CO 0.04 0.25 0.18 1.98 0.00 0.00 0.00 179.25 181.69 1bq0 h MET 29 N 0.00 0.21 0.00 0.00 1.85 -1.04 3.89 114.93 119.85 1bq0 h MET 29 Ca -0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1bq0 h MET 29 Cb 0.81 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.79 1bq0 h MET 29 CO 0.03 0.14 0.20 0.87 -0.40 0.00 0.00 176.91 177.75 1bq0 h LYS 30 N 0.22 0.00 0.00 0.39 6.56 -1.72 -1.98 116.57 120.04 1bq0 h LYS 30 Ca 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.07 1bq0 h LYS 30 Cb 0.89 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.55 1bq0 h LYS 30 CO -0.60 0.00 -0.87 0.66 -2.06 0.00 0.00 179.45 176.58 1bq0 n TYR 31 N -2.61 0.00 -0.85 -1.35 4.01 1.06 -5.04 117.16 112.38 1bq0 n TYR 31 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.40 1bq0 n TYR 31 Cb 0.25 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.31 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 -1.36 -2.24 0.00 -0.72 8.25 1.02 -4.39 115.22 115.79 1bq0 n HIS 32 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 1bq0 n HIS 32 Cb 0.00 -1.19 0.00 0.00 1.12 0.00 0.00 29.99 29.92 1bq0 n HIS 32 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1bq0 n PRO 33 N 2.12 1.91 0.00 -0.41 -0.04 -1.26 -2.95 135.00 134.38 1bq0 n PRO 33 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1bq0 n PRO 33 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1bq0 n PRO 33 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bq0 n ASP 34 N 0.00 0.00 0.01 3.54 -0.08 -1.26 -2.75 116.55 116.01 1bq0 n ASP 34 Ca 0.00 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.21 1bq0 n ASP 34 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 1bq0 n ASP 34 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1bq0 h ARG 35 N 0.00 0.00 0.00 -0.67 0.11 -1.90 -3.33 114.38 108.59 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 0.65 -1.29 0.09 0.10 0.00 0.00 179.97 179.52 1bq0 n ASN 36 N -3.14 0.59 -2.56 0.08 4.13 -1.11 -4.95 115.26 108.29 1bq0 n ASN 36 Ca -0.10 0.20 -0.06 0.00 1.68 0.00 0.00 54.58 56.30 1bq0 n ASN 36 Cb 0.99 0.92 0.03 0.00 -1.54 0.00 0.00 39.78 40.18 1bq0 n ASN 36 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bq0 n GLN 37 N -2.52 -1.23 0.00 3.52 1.13 -1.25 -3.18 117.38 113.85 1bq0 n GLN 37 Ca -0.01 0.73 0.00 0.00 -1.94 0.00 0.00 57.00 55.78 1bq0 n GLN 37 Cb 0.55 -4.22 0.00 0.00 0.11 0.00 0.00 30.24 26.68 1bq0 n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bq0 n GLY 38 N -1.38 1.11 0.00 1.08 0.00 -1.26 -4.52 105.19 100.22 1bq0 n GLY 38 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 2.44 0.00 0.00 1.61 8.00 -1.19 -4.55 116.55 122.85 1bq0 n ASP 39 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1bq0 n ASP 39 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1bq0 n ASP 39 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bq0 n LYS 40 N 0.00 0.00 0.02 -1.24 5.02 -1.26 -2.66 118.16 118.04 1bq0 n LYS 40 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 1bq0 n LYS 40 Cb 0.00 0.00 0.39 0.00 -0.02 0.00 0.00 35.03 35.40 1bq0 n LYS 40 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1bq0 n GLU 41 N 0.00 0.06 0.03 1.97 1.02 -1.26 -3.51 120.64 118.95 1bq0 n GLU 41 Ca 0.00 0.03 -0.03 0.00 -0.02 0.00 0.00 57.16 57.14 1bq0 n GLU 41 Cb 0.00 -1.55 -0.09 0.00 -0.02 0.00 0.00 31.44 29.77 1bq0 n GLU 41 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bq0 h ALA 42 N 2.89 0.67 -0.93 0.62 0.00 -1.77 -3.14 119.26 117.60 1bq0 h ALA 42 Ca 0.00 -1.01 0.22 0.00 0.00 0.00 0.00 54.91 54.12 1bq0 h ALA 42 Cb 0.56 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 1bq0 h ALA 42 CO 0.00 1.13 0.47 1.49 0.00 0.00 0.00 179.25 182.34 1bq0 h GLU 43 N 0.00 0.47 0.00 0.00 4.81 -1.82 0.99 114.58 119.03 1bq0 h GLU 43 Ca -0.17 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.96 1bq0 h GLU 43 Cb 1.72 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.98 1bq0 h GLU 43 CO 0.07 0.31 -0.61 0.00 -0.73 0.00 0.00 179.01 178.05 1bq0 h ALA 44 N 1.70 0.09 -0.55 2.92 0.00 -1.78 -3.32 119.26 118.32 1bq0 h ALA 44 Ca 0.58 -0.65 0.16 0.00 0.00 0.00 0.00 54.91 54.99 1bq0 h ALA 44 Cb 1.07 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1bq0 h ALA 44 CO -0.49 0.42 0.66 -0.22 0.00 0.00 0.00 179.25 179.62 1bq0 h LYS 45 N -1.00 0.00 0.00 0.00 1.63 -1.43 2.27 116.57 118.04 1bq0 h LYS 45 Ca -0.11 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1bq0 h LYS 45 Cb 0.75 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1bq0 h LYS 45 CO -0.07 0.00 -0.07 0.74 -3.45 0.00 0.00 179.45 176.60 1bq0 h PHE 46 N 0.00 0.00 0.00 1.91 -1.00 0.92 1.11 116.94 119.88 1bq0 h PHE 46 Ca 0.26 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.04 1bq0 h PHE 46 Cb 1.58 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.14 1bq0 h PHE 46 CO 0.00 0.07 0.00 0.36 -1.61 0.00 0.00 178.31 177.13 1bq0 n LYS 47 N -4.10 0.22 -0.00 1.51 2.85 0.76 0.26 118.16 119.65 1bq0 n LYS 47 Ca -0.03 0.06 -0.19 0.00 -1.05 0.00 0.00 58.31 57.11 1bq0 n LYS 47 Cb 0.15 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.89 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 -1.37 0.73 -0.06 -1.58 1.02 0.38 -3.75 120.64 116.01 1bq0 n GLU 48 Ca 0.09 0.27 -0.12 0.00 -0.02 0.00 0.00 57.16 57.38 1bq0 n GLU 48 Cb 0.23 -1.72 -0.05 0.00 -0.02 0.00 0.00 31.44 29.88 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 -3.39 0.71 0.24 -3.67 -0.00 -0.85 -3.61 119.36 108.79 1bq0 n ILE 49 Ca -0.29 -0.21 0.10 0.00 -0.00 0.00 0.00 62.75 62.35 1bq0 n ILE 49 Cb 1.05 -1.44 0.58 0.00 -0.00 0.00 0.00 39.64 39.83 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 -0.32 0.00 0.13 0.38 3.64 0.33 2.39 116.57 123.11 1bq0 h LYS 50 Ca -0.31 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.70 1bq0 h LYS 50 Cb 1.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1bq0 h LYS 50 CO -0.15 0.20 -1.95 1.49 -2.27 0.00 0.00 179.45 176.76 1bq0 h GLU 51 N 0.00 0.27 0.07 1.90 4.57 -0.98 -3.09 114.58 117.32 1bq0 h GLU 51 Ca -0.00 -0.47 -0.10 0.00 -1.18 0.00 0.00 59.36 57.62 1bq0 h GLU 51 Cb 0.51 0.17 0.01 0.00 -0.16 0.00 0.00 28.75 29.29 1bq0 h GLU 51 CO 0.03 1.22 -0.41 0.00 -1.18 0.00 0.00 179.01 178.66 1bq0 h ALA 52 N 0.06 -0.04 0.00 2.92 0.00 -1.58 -3.22 119.26 117.41 1bq0 h ALA 52 Ca -0.41 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1bq0 h ALA 52 Cb 2.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1bq0 h ALA 52 CO 0.09 0.19 0.00 2.48 0.00 0.00 0.00 179.25 182.01 1bq0 n TYR 53 N -4.37 0.00 0.09 0.00 4.11 0.80 -3.19 117.16 114.61 1bq0 n TYR 53 Ca -0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.73 1bq0 n TYR 53 Cb 0.65 0.00 0.09 0.00 -0.00 0.00 0.00 39.34 40.08 1bq0 n TYR 53 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1bq0 h GLU 54 N 0.00 0.19 -0.20 -3.48 4.81 -1.54 -3.23 114.58 111.12 1bq0 h GLU 54 Ca 0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1bq0 h GLU 54 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1bq0 h GLU 54 CO 0.00 0.79 0.00 1.55 -0.73 0.00 0.00 179.01 180.62 1bq0 n VAL 55 N -3.80 1.10 1.74 0.32 3.14 -1.19 -4.48 118.33 115.15 1bq0 n VAL 55 Ca -0.02 -1.09 0.14 0.00 -2.96 0.00 0.00 64.34 60.41 1bq0 n VAL 55 Cb 0.67 0.44 0.82 0.00 -1.06 0.00 0.00 33.84 34.70 1bq0 n VAL 55 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1bq0 n LEU 56 N 0.02 0.00 -0.02 6.55 7.99 -1.22 -2.64 117.00 127.68 1bq0 n LEU 56 Ca 0.08 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.12 1bq0 n LEU 56 Cb 0.39 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.60 1bq0 n LEU 56 CO 0.05 0.00 -0.71 1.07 -1.51 0.00 0.00 177.39 176.29 1bq0 n THR 57 N -0.99 0.17 -4.08 -5.08 5.66 -1.26 -4.14 114.28 104.55 1bq0 n THR 57 Ca 0.21 -0.35 -0.31 0.00 -3.05 0.00 0.00 64.05 60.54 1bq0 n THR 57 Cb 0.09 0.02 -0.07 0.00 -1.55 0.00 0.00 70.33 68.83 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 -3.74 5.52 -0.51 1.09 -1.08 -1.08 -4.66 116.67 112.20 1bq0 s ASP 58 Ca -0.05 0.02 0.02 0.00 -0.52 0.00 0.00 52.55 52.02 1bq0 s ASP 58 Cb 0.08 -1.50 0.53 0.00 -1.46 0.00 0.00 42.92 40.57 1bq0 s ASP 58 CO 0.55 0.20 1.85 -1.54 0.52 0.00 0.00 175.17 176.75 1bq0 n SER 59 N 0.71 5.41 0.00 -0.34 3.41 -1.26 -4.32 113.62 117.22 1bq0 n SER 59 Ca -0.10 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 54.78 1bq0 n SER 59 Cb 0.52 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1bq0 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bq0 n GLN 60 N -1.01 0.00 -0.29 4.33 -0.00 -1.26 -4.73 117.38 114.43 1bq0 n GLN 60 Ca 0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 57.51 1bq0 n GLN 60 Cb 1.09 -0.51 0.07 0.00 -0.00 0.00 0.00 30.24 30.88 1bq0 n GLN 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1bq0 h LYS 61 N 0.00 1.10 -0.58 2.61 1.57 -1.87 -1.98 116.57 117.42 1bq0 h LYS 61 Ca 0.00 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1bq0 h LYS 61 Cb 0.03 -0.21 -0.10 0.00 0.08 0.00 0.00 32.23 32.02 1bq0 h LYS 61 CO 0.00 0.82 -0.48 0.00 -0.57 0.00 0.00 179.45 179.22 1bq0 h ARG 62 N 1.09 -0.24 -1.30 3.15 2.47 -1.76 3.45 114.38 121.24 1bq0 h ARG 62 Ca 0.27 0.02 0.39 0.00 -1.26 0.00 0.00 59.98 59.40 1bq0 h ARG 62 Cb 0.05 0.05 -0.10 0.00 -1.65 0.00 0.00 29.97 28.33 1bq0 h ARG 62 CO -0.04 -0.16 0.87 0.00 0.56 0.00 0.00 179.97 181.20 1bq0 h ALA 63 N 0.45 2.81 0.00 0.04 0.00 -1.65 3.62 119.26 124.53 1bq0 h ALA 63 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1bq0 h ALA 63 Cb 0.56 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1bq0 h ALA 63 CO -0.69 -1.32 -0.31 0.00 0.00 0.00 0.00 179.25 176.93 1bq0 h ALA 64 N 1.50 0.00 0.00 0.00 0.00 0.35 -3.38 119.26 117.73 1bq0 h ALA 64 Ca 0.73 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1bq0 h ALA 64 Cb 2.38 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 20.47 1bq0 h ALA 64 CO -0.26 0.31 -0.10 1.88 0.00 0.00 0.00 179.25 181.08 1bq0 h TYR 65 N -0.72 0.00 -0.69 0.00 0.05 0.60 -1.16 116.97 115.04 1bq0 h TYR 65 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 1bq0 h TYR 65 Cb 0.31 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 1bq0 h TYR 65 CO -0.13 0.10 0.46 0.38 -1.05 0.00 0.00 178.16 177.92 1bq0 h ASP 66 N 0.00 0.69 -0.02 3.88 2.03 0.67 -1.84 116.42 121.83 1bq0 h ASP 66 Ca -0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1bq0 h ASP 66 Cb 0.20 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1bq0 h ASP 66 CO 0.01 0.47 -0.28 0.00 -1.03 0.00 0.00 179.24 178.41 1bq0 n GLN 67 N -4.46 1.57 -2.56 4.15 10.64 -0.94 -4.97 117.38 120.80 1bq0 n GLN 67 Ca 0.09 -1.13 -0.24 0.00 -1.83 0.00 0.00 57.00 53.89 1bq0 n GLN 67 Cb 0.16 -1.37 0.13 0.00 -0.86 0.00 0.00 30.24 28.30 1bq0 n GLN 67 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1bq0 s TYR 68 N -2.01 1.31 0.00 2.61 2.02 -0.48 -4.50 117.35 116.29 1bq0 s TYR 68 Ca 0.18 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1bq0 s TYR 68 Cb 0.16 -3.08 0.00 0.00 -0.40 0.00 0.00 41.96 38.64 1bq0 s TYR 68 CO 0.41 -1.91 0.00 0.41 -1.57 0.00 0.00 175.55 172.89 1bq0 n GLY 69 N -2.96 3.32 3.18 0.71 0.00 -1.26 -4.85 105.19 103.33 1bq0 n GLY 69 Ca 0.16 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1bq0 n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bq0 n HIS 70 N 0.00 -2.37 -1.42 1.61 8.25 -1.26 -1.58 115.22 118.45 1bq0 n HIS 70 Ca 0.00 0.83 -0.12 0.00 -0.26 0.00 0.00 57.72 58.16 1bq0 n HIS 70 Cb 0.00 -4.07 -0.05 0.00 1.12 0.00 0.00 29.99 26.99 1bq0 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bq0 n ALA 71 N -3.17 -0.22 -0.12 -1.41 0.00 -1.26 -4.81 120.51 109.52 1bq0 n ALA 71 Ca -0.07 0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 1bq0 n ALA 71 Cb 0.62 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1bq0 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq0 n ALA 72 N 0.23 -0.18 -1.21 0.00 0.00 -0.61 -0.42 120.51 118.33 1bq0 n ALA 72 Ca -0.12 0.24 -0.26 0.00 0.00 0.00 0.00 53.44 53.29 1bq0 n ALA 72 Cb 0.42 0.27 0.15 0.00 0.00 0.00 0.00 19.45 20.29 1bq0 n ALA 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bq0 n PHE 73 N -3.59 3.05 0.00 0.00 3.72 -1.26 -4.23 117.46 115.14 1bq0 n PHE 73 Ca 0.01 -2.10 0.00 0.00 -0.05 0.00 0.00 57.45 55.30 1bq0 n PHE 73 Cb 0.07 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 37.56 1bq0 n PHE 73 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1bq0 n GLU 74 N -1.05 2.63 0.00 -1.08 2.13 0.45 -5.03 120.64 118.68 1bq0 n GLU 74 Ca 0.59 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1bq0 n GLU 74 Cb 1.41 -0.76 0.00 0.00 0.27 0.00 0.00 31.44 32.36 1bq0 n GLU 74 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1bq0 n GLN 75 N -0.93 0.00 0.00 5.31 7.27 0.11 -3.66 117.38 125.48 1bq0 n GLN 75 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1bq0 n GLN 75 Cb 0.08 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.73 1bq0 n GLN 75 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bq0 n GLY 76 N 0.00 -1.77 0.00 1.69 0.00 -1.26 -4.92 105.19 98.93 1bq0 n GLY 76 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93