#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f44 n GLN 3 N 0.00 0.18 0.10 1.47 6.02 -1.26 -1.54 117.38 122.34 2f44 n GLN 3 Ca 0.00 0.41 0.12 0.00 -0.01 0.00 0.00 57.00 57.53 2f44 n GLN 3 Cb 0.00 -1.84 0.25 0.00 1.02 0.00 0.00 30.24 29.67 2f44 n GLN 3 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2f44 h LEU 4 N 0.00 0.00 -9.53 1.08 3.38 -2.01 -3.42 115.31 104.81 2f44 h LEU 4 Ca 0.00 -0.09 -0.53 0.00 0.09 0.00 0.00 57.88 57.35 2f44 h LEU 4 Cb 0.34 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.14 2f44 h LEU 4 CO 0.00 0.05 1.10 0.79 0.09 0.00 0.00 178.44 180.46 2f44 n TRP 5 N -2.31 2.64 -2.34 1.13 7.02 -0.59 -4.97 117.44 118.03 2f44 n TRP 5 Ca 0.04 -0.12 -0.25 0.00 -1.02 0.00 0.00 57.50 56.15 2f44 n TRP 5 Cb 0.45 -2.72 0.07 0.00 -2.42 0.00 0.00 31.31 26.69 2f44 n TRP 5 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2f44 s SER 6 N 2.50 4.80 0.49 -0.99 1.04 -1.26 -2.74 113.70 117.54 2f44 s SER 6 Ca 0.81 0.25 0.15 0.00 0.48 0.00 0.00 55.95 57.63 2f44 s SER 6 Cb -0.49 -0.90 1.17 0.00 0.10 0.00 0.00 66.02 65.91 2f44 s SER 6 CO 0.37 -1.57 2.10 0.07 0.98 0.00 0.00 173.24 175.19 2f44 h LYS 7 N -0.47 0.15 0.00 4.02 2.10 -1.93 -0.94 116.57 119.50 2f44 h LYS 7 Ca -0.43 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.11 2f44 h LYS 7 Cb 1.30 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 2f44 h LYS 7 CO 0.55 0.10 -0.46 0.74 -2.00 0.00 0.00 179.45 178.38 2f44 h PHE 8 N 0.15 0.00 -0.04 0.07 0.04 -1.93 -1.63 116.94 113.62 2f44 h PHE 8 Ca 0.08 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.73 2f44 h PHE 8 Cb 0.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 2f44 h PHE 8 CO -0.00 0.46 -0.55 -0.44 -0.60 0.00 0.00 178.31 177.19 2f44 h ASP 9 N 0.00 0.11 -0.10 2.17 3.32 -1.54 -0.62 116.42 119.76 2f44 h ASP 9 Ca -0.00 -0.06 -0.17 0.00 0.02 0.00 0.00 57.03 56.82 2f44 h ASP 9 Cb 1.08 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 2f44 h ASP 9 CO 0.06 0.64 -0.54 0.58 -1.72 0.00 0.00 179.24 178.25 2f44 h VAL 10 N 0.08 1.30 0.36 -1.35 2.07 -1.02 -1.45 116.25 116.24 2f44 h VAL 10 Ca -0.00 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.73 2f44 h VAL 10 Cb 0.99 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2f44 h VAL 10 CO 0.08 0.56 -0.17 1.23 0.02 0.00 0.00 177.57 179.28 2f44 h GLY 11 N 0.92 -0.51 0.13 2.17 0.00 -0.92 -0.35 103.07 104.51 2f44 h GLY 11 Ca 0.01 0.19 0.11 0.00 0.00 0.00 0.00 47.33 47.64 2f44 h GLY 11 CO 0.11 -0.18 0.08 -0.55 0.00 0.00 0.00 176.54 176.00 2f44 h ASP 12 N -0.64 -0.09 -0.85 0.19 3.32 -1.05 0.11 116.42 117.41 2f44 h ASP 12 Ca -0.05 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.14 2f44 h ASP 12 Cb 0.46 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 2f44 h ASP 12 CO 0.08 -0.03 0.56 -0.25 -1.72 0.00 0.00 179.24 177.88 2f44 h TRP 13 N 0.20 1.06 -0.62 4.55 7.01 -1.12 0.60 115.95 127.63 2f44 h TRP 13 Ca 0.31 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.31 2f44 h TRP 13 Cb 0.47 -0.36 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 2f44 h TRP 13 CO -0.28 0.65 0.31 -0.07 -2.79 0.00 0.00 178.44 176.26 2f44 h LEU 14 N 1.13 0.80 -0.95 0.65 3.38 0.92 -0.57 115.31 120.67 2f44 h LEU 14 Ca 0.32 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 2f44 h LEU 14 Cb -0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2f44 h LEU 14 CO -0.09 0.69 -0.06 -0.33 0.09 0.00 0.00 178.44 178.74 2f44 h GLU 15 N 0.85 0.70 -0.92 1.13 5.08 -0.16 0.18 114.58 121.44 2f44 h GLU 15 Ca 0.22 -0.20 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 2f44 h GLU 15 Cb 0.09 -0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 2f44 h GLU 15 CO -0.03 0.76 0.52 1.03 -1.00 0.00 0.00 179.01 180.29 2f44 h SER 16 N 0.64 0.67 -0.71 1.42 0.87 0.16 -0.49 113.55 116.12 2f44 h SER 16 Ca 0.12 0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 60.58 2f44 h SER 16 Cb 0.50 -0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.31 2f44 h SER 16 CO 0.03 0.28 0.24 2.30 -0.53 0.00 0.00 176.83 179.15 2f44 n ILE 17 N -4.80 2.86 -3.22 2.23 -5.35 -0.45 -4.93 119.36 105.70 2f44 n ILE 17 Ca 0.19 -1.55 -0.16 0.00 -0.27 0.00 0.00 62.75 60.96 2f44 n ILE 17 Cb 0.46 -0.36 0.06 0.00 -1.74 0.00 0.00 39.64 38.06 2f44 n ILE 17 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2f44 n HIS 18 N -0.04 -1.95 -2.34 4.28 8.25 -0.19 -4.94 115.22 118.29 2f44 n HIS 18 Ca 0.39 0.72 0.04 0.00 -0.26 0.00 0.00 57.72 58.60 2f44 n HIS 18 Cb 1.35 -3.97 0.06 0.00 1.12 0.00 0.00 29.99 28.55 2f44 n HIS 18 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2f44 n LEU 19 N -3.62 1.46 0.09 2.41 4.77 0.58 -4.86 117.00 117.83 2f44 n LEU 19 Ca -0.04 -2.50 0.05 0.00 -0.03 0.00 0.00 56.01 53.49 2f44 n LEU 19 Cb 0.56 -0.08 0.29 0.00 -2.33 0.00 0.00 43.42 41.86 2f44 n LEU 19 CO 0.46 0.75 0.68 0.61 -1.33 0.00 0.00 177.39 178.56 2f44 n GLY 20 N 0.08 -0.63 0.30 -0.72 0.00 -1.23 -0.77 105.19 102.22 2f44 n GLY 20 Ca 0.09 0.10 0.19 0.00 0.00 0.00 0.00 46.02 46.41 2f44 n GLY 20 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2f44 h GLU 21 N 0.00 0.00 -0.01 1.61 4.11 -1.92 -2.78 114.58 115.59 2f44 h GLU 21 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2f44 h GLU 21 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2f44 h GLU 21 CO 0.00 0.00 -0.42 0.72 0.07 0.00 0.00 179.01 179.38 2f44 n HIS 22 N -3.09 0.00 0.08 2.06 8.25 0.05 -4.59 115.22 117.97 2f44 n HIS 22 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.46 2f44 n HIS 22 Cb 0.21 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.65 2f44 n HIS 22 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2f44 h ARG 23 N 2.30 0.32 -0.26 -0.41 0.11 -1.62 -2.43 114.38 112.39 2f44 h ARG 23 Ca 0.00 -0.09 -0.05 0.00 0.10 0.00 0.00 59.98 59.95 2f44 h ARG 23 Cb 0.70 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 2f44 h ARG 23 CO 0.00 0.47 -0.03 -0.44 0.10 0.00 0.00 179.97 180.08 2f44 h ASP 24 N 0.30 0.48 0.08 0.08 3.32 -1.81 -0.61 116.42 118.25 2f44 h ASP 24 Ca 0.06 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 2f44 h ASP 24 Cb 0.44 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2f44 h ASP 24 CO 0.03 0.70 -0.04 0.03 -1.72 0.00 0.00 179.24 178.24 2f44 h ARG 25 N 0.24 -0.10 -0.59 3.56 2.47 -1.85 -0.03 114.38 118.10 2f44 h ARG 25 Ca 0.07 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.85 2f44 h ARG 25 Cb 0.47 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.78 2f44 h ARG 25 CO 0.02 0.01 0.39 0.74 0.56 0.00 0.00 179.97 181.69 2f44 h PHE 26 N -0.18 0.61 -0.47 3.04 -1.00 -1.41 -1.35 116.94 116.18 2f44 h PHE 26 Ca -0.01 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.67 2f44 h PHE 26 Cb 0.15 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 2f44 h PHE 26 CO -0.05 0.34 -0.15 1.49 -1.61 0.00 0.00 178.31 178.33 2f44 h GLU 27 N 0.62 0.94 0.00 1.51 4.81 -0.66 -1.08 114.58 120.71 2f44 h GLU 27 Ca 0.25 -0.38 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 2f44 h GLU 27 Cb 0.19 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2f44 h GLU 27 CO -0.07 1.04 -0.48 -0.44 -0.73 0.00 0.00 179.01 178.33 2f44 h ASP 28 N 0.78 0.00 -0.11 1.04 3.32 -0.07 -2.21 116.42 119.17 2f44 h ASP 28 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2f44 h ASP 28 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2f44 h ASP 28 CO 0.05 0.48 0.00 1.41 -1.72 0.00 0.00 179.24 179.47 2f44 n HIS 29 N -3.86 0.13 -3.66 4.55 8.25 -0.60 -4.95 115.22 115.08 2f44 n HIS 29 Ca -0.01 -0.07 -0.22 0.00 -0.26 0.00 0.00 57.72 57.16 2f44 n HIS 29 Cb 0.52 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.66 2f44 n HIS 29 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2f44 n GLU 30 N 0.30 -4.22 -2.79 -0.41 1.02 -0.77 -4.95 120.64 108.82 2f44 n GLU 30 Ca 0.17 0.62 -0.41 0.00 -0.02 0.00 0.00 57.16 57.52 2f44 n GLU 30 Cb 0.35 -5.09 -0.04 0.00 -0.02 0.00 0.00 31.44 26.64 2f44 n GLU 30 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2f44 s ILE 31 N -3.62 4.87 0.36 -3.67 -1.09 -0.48 -4.95 121.20 112.62 2f44 s ILE 31 Ca 0.10 1.91 0.09 0.00 -2.23 0.00 0.00 60.65 60.52 2f44 s ILE 31 Cb -0.03 -4.25 -0.07 0.00 -1.58 0.00 0.00 42.46 36.53 2f44 s ILE 31 CO 0.81 0.20 -0.07 -1.61 -1.23 0.00 0.00 174.94 173.04 2f44 s GLU 32 N 0.85 1.85 0.14 2.79 2.02 -1.26 -3.93 118.70 121.17 2f44 s GLU 32 Ca 0.48 -1.98 -0.32 0.00 0.02 0.00 0.00 54.97 53.17 2f44 s GLU 32 Cb -0.20 -1.69 -0.09 0.00 0.10 0.00 0.00 34.13 32.25 2f44 s GLU 32 CO 0.26 0.10 1.54 0.78 0.02 0.00 0.00 175.26 177.96 2f44 h GLY 33 N 1.96 -0.93 0.22 -1.39 0.00 -1.64 0.18 103.07 101.47 2f44 h GLY 33 Ca -0.42 0.76 0.17 0.00 0.00 0.00 0.00 47.33 47.84 2f44 h GLY 33 CO 0.73 -0.04 0.73 0.00 0.00 0.00 0.00 176.54 177.96 2f44 h ALA 34 N 0.23 2.34 0.04 3.60 0.00 -1.81 0.16 119.26 123.82 2f44 h ALA 34 Ca 0.12 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 2f44 h ALA 34 Cb 0.50 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2f44 h ALA 34 CO -0.77 -1.03 -1.06 0.45 0.00 0.00 0.00 179.25 176.84 2f44 h HIS 35 N 0.00 0.18 -0.45 0.00 3.86 -1.02 -3.38 115.15 114.34 2f44 h HIS 35 Ca 0.27 -0.13 0.09 0.00 -1.16 0.00 0.00 60.37 59.44 2f44 h HIS 35 Cb 1.73 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 30.09 2f44 h HIS 35 CO 0.00 1.08 -0.24 -0.07 0.86 0.00 0.00 177.93 179.57 2f44 h LEU 36 N 0.03 -0.81 -1.92 2.43 3.38 -0.86 -2.12 115.31 115.44 2f44 h LEU 36 Ca -0.05 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.20 2f44 h LEU 36 Cb 1.80 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 42.96 2f44 h LEU 36 CO 0.15 -0.26 0.31 -0.65 0.09 0.00 0.00 178.44 178.08 2f44 h PRO 37 N -0.15 0.09 -0.01 1.13 0.11 -1.75 -2.49 132.00 128.93 2f44 h PRO 37 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2f44 h PRO 37 Cb 0.48 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2f44 h PRO 37 CO -0.54 0.06 -0.37 0.00 -0.21 0.00 0.00 178.00 176.94 2f44 n ALA 38 N -2.59 3.30 -1.77 -0.75 0.00 -0.82 -4.94 120.51 112.94 2f44 n ALA 38 Ca 0.07 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.70 2f44 n ALA 38 Cb 0.45 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 2f44 n ALA 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2f44 s LEU 39 N -2.66 4.26 0.48 0.00 1.43 -0.94 -5.02 118.68 116.23 2f44 s LEU 39 Ca 0.19 2.85 0.07 0.00 -1.03 0.00 0.00 54.13 56.21 2f44 s LEU 39 Cb 0.19 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.62 2f44 s LEU 39 CO 0.59 -0.88 0.38 0.42 0.23 0.00 0.00 176.35 177.08 2f44 s THR 40 N -1.18 2.10 0.26 5.49 -4.23 -1.26 -4.97 115.64 111.85 2f44 s THR 40 Ca 0.55 -1.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.57 2f44 s THR 40 Cb -0.42 -2.55 0.25 0.00 1.34 0.00 0.00 72.50 71.12 2f44 s THR 40 CO 0.56 0.00 1.89 0.50 -0.54 0.00 0.00 174.62 177.02 2f44 h LYS 41 N 0.92 1.14 -0.20 3.99 3.64 -1.99 -1.12 116.57 122.94 2f44 h LYS 41 Ca -0.39 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 2f44 h LYS 41 Cb 1.28 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2f44 h LYS 41 CO 0.58 0.76 -0.22 1.05 -2.27 0.00 0.00 179.45 179.35 2f44 h GLU 42 N 1.18 0.36 -0.18 1.90 9.09 -1.99 -1.43 114.58 123.51 2f44 h GLU 42 Ca 0.40 -0.12 -0.12 0.00 0.05 0.00 0.00 59.36 59.58 2f44 h GLU 42 Cb 0.09 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 2f44 h GLU 42 CO -0.15 0.56 -0.34 -0.44 0.05 0.00 0.00 179.01 178.69 2f44 h ASP 43 N 0.33 0.61 -0.77 3.06 3.32 -1.69 -1.81 116.42 119.48 2f44 h ASP 43 Ca 0.05 -0.55 0.01 0.00 0.02 0.00 0.00 57.03 56.56 2f44 h ASP 43 Cb 0.57 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2f44 h ASP 43 CO 0.04 1.04 0.50 -0.26 -1.72 0.00 0.00 179.24 178.84 2f44 h PHE 44 N 0.20 0.97 -0.38 4.55 0.04 -1.01 0.26 116.94 121.58 2f44 h PHE 44 Ca 0.01 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 2f44 h PHE 44 Cb 0.94 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.74 2f44 h PHE 44 CO 0.09 0.62 0.08 0.28 -0.60 0.00 0.00 178.31 178.79 2f44 h VAL 45 N 1.05 1.23 -0.12 -0.55 2.07 -1.15 0.17 116.25 118.94 2f44 h VAL 45 Ca 0.28 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 2f44 h VAL 45 Cb -0.11 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2f44 h VAL 45 CO -0.06 0.27 -0.14 -0.08 0.02 0.00 0.00 177.57 177.58 2f44 h GLU 46 N 0.47 0.19 -0.00 1.57 4.81 -0.40 -1.27 114.58 119.93 2f44 h GLU 46 Ca 0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2f44 h GLU 46 Cb 0.32 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2f44 h GLU 46 CO 0.00 0.33 0.00 1.28 -0.73 0.00 0.00 179.01 179.90 2f44 n LEU 47 N -4.29 0.04 0.00 1.64 4.77 0.83 -4.87 117.00 115.12 2f44 n LEU 47 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2f44 n LEU 47 Cb 0.26 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2f44 n LEU 47 CO 0.38 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2f44 n GLY 48 N 0.77 0.75 3.44 -0.72 0.00 -0.48 -4.66 105.19 104.29 2f44 n GLY 48 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 2f44 n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f44 s VAL 49 N -2.37 5.19 -0.11 1.61 1.01 0.54 -4.75 120.40 121.52 2f44 s VAL 49 Ca 0.00 -2.66 0.15 0.00 0.00 0.00 0.00 61.98 59.47 2f44 s VAL 49 Cb 0.00 -4.83 -0.07 0.00 0.00 0.00 0.00 36.38 31.47 2f44 s VAL 49 CO 0.00 -1.52 1.08 0.71 0.00 0.00 0.00 175.10 175.37 2f44 h THR 50 N 4.62 0.73 -3.20 3.92 1.35 -1.85 -3.36 112.91 115.12 2f44 h THR 50 Ca 0.27 -2.20 -0.57 0.00 -0.55 0.00 0.00 66.41 63.36 2f44 h THR 50 Cb 0.89 2.24 -0.05 0.00 -1.73 0.00 0.00 68.15 69.51 2f44 h THR 50 CO 1.18 0.42 0.64 -0.13 -0.25 0.00 0.00 175.52 177.37 2f44 s ARG 51 N -2.91 4.35 0.31 4.72 0.52 -1.26 -4.92 118.95 119.75 2f44 s ARG 51 Ca -0.00 1.34 0.01 0.00 -0.52 0.00 0.00 55.73 56.55 2f44 s ARG 51 Cb 0.08 -3.58 0.54 0.00 0.52 0.00 0.00 34.95 32.51 2f44 s ARG 51 CO 0.79 -0.44 1.95 0.28 0.02 0.00 0.00 175.30 177.90 2f44 h VAL 52 N 5.24 1.12 -0.74 3.52 2.07 -2.00 -2.11 116.25 123.35 2f44 h VAL 52 Ca -0.26 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2f44 h VAL 52 Cb 1.11 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2f44 h VAL 52 CO 0.90 0.18 0.43 1.23 0.02 0.00 0.00 177.57 180.34 2f44 h GLY 53 N 1.01 1.08 1.51 2.17 0.00 -1.99 0.08 103.07 106.93 2f44 h GLY 53 Ca 0.34 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 2f44 h GLY 53 CO -0.10 0.45 -0.36 0.45 0.00 0.00 0.00 176.54 176.97 2f44 h HIS 54 N 1.01 0.65 -0.17 5.60 3.86 -1.82 -0.88 115.15 123.39 2f44 h HIS 54 Ca 0.26 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2f44 h HIS 54 Cb -0.01 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 2f44 h HIS 54 CO -0.01 0.84 0.03 -0.09 0.86 0.00 0.00 177.93 179.56 2f44 h ARG 55 N 0.46 0.29 -0.20 2.45 2.43 -1.02 -2.20 114.38 116.59 2f44 h ARG 55 Ca 0.05 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 2f44 h ARG 55 Cb 0.85 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2f44 h ARG 55 CO 0.07 0.45 -0.13 1.49 -1.51 0.00 0.00 179.97 180.35 2f44 h GLU 56 N 0.07 0.32 -0.07 0.20 4.57 -0.79 -1.20 114.58 117.68 2f44 h GLU 56 Ca 0.05 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 2f44 h GLU 56 Cb 0.31 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2f44 h GLU 56 CO 0.00 0.45 -0.41 -0.91 -1.18 0.00 0.00 179.01 176.97 2f44 h ASN 57 N 0.30 0.16 -0.05 1.04 2.35 -0.91 -1.11 115.58 117.37 2f44 h ASN 57 Ca 0.06 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2f44 h ASN 57 Cb 0.41 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 2f44 h ASN 57 CO 0.02 0.56 -0.05 0.40 -1.65 0.00 0.00 177.43 176.71 2f44 h ILE 58 N 0.13 1.38 -0.37 2.81 2.04 -0.64 -1.71 117.51 121.15 2f44 h ILE 58 Ca 0.01 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.68 2f44 h ILE 58 Cb 0.78 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.92 2f44 h ILE 58 CO 0.06 0.33 0.15 -0.08 0.00 0.00 0.00 178.15 178.61 2f44 h GLU 59 N -0.34 0.30 -0.02 2.37 4.57 -1.14 -1.74 114.58 118.58 2f44 h GLU 59 Ca 0.01 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2f44 h GLU 59 Cb 0.56 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 2f44 h GLU 59 CO 0.01 0.20 -0.23 0.00 -1.18 0.00 0.00 179.01 177.81 2f44 h ARG 60 N 0.31 -0.34 -0.51 1.92 3.08 -1.19 -2.34 114.38 115.31 2f44 h ARG 60 Ca 0.16 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.32 2f44 h ARG 60 Cb 0.12 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 2f44 h ARG 60 CO -0.15 -0.23 0.12 0.00 -1.07 0.00 0.00 179.97 178.65 2f44 h ALA 61 N 0.51 0.59 -0.94 0.04 0.00 -1.01 -3.15 119.26 115.30 2f44 h ALA 61 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2f44 h ALA 61 Cb 0.44 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2f44 h ALA 61 CO -0.22 -0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.03 2f44 n LEU 62 N -5.09 0.00 -0.17 0.00 4.77 -0.68 -2.08 117.00 113.76 2f44 n LEU 62 Ca 0.06 0.84 0.11 0.00 -0.03 0.00 0.00 56.01 56.99 2f44 n LEU 62 Cb 0.24 -0.34 0.21 0.00 -2.33 0.00 0.00 43.42 41.20 2f44 n LEU 62 CO 0.21 -0.34 0.46 0.54 -1.33 0.00 0.00 177.39 176.93 2f44 n ARG 63 N -1.94 -0.04 -0.64 3.23 1.74 -0.98 0.23 116.66 118.26 2f44 n ARG 63 Ca 0.00 0.74 -0.07 0.00 -0.77 0.00 0.00 57.85 57.74 2f44 n ARG 63 Cb 0.00 -1.23 -0.11 0.00 -1.02 0.00 0.00 32.46 30.10 2f44 n ARG 63 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2f44 n GLN 64 N -4.41 1.29 0.00 5.56 7.27 -0.88 -5.15 117.38 121.05 2f44 n GLN 64 Ca 0.15 -0.62 0.00 0.00 0.07 0.00 0.00 57.00 56.60 2f44 n GLN 64 Cb 0.50 -1.79 0.00 0.00 2.41 0.00 0.00 30.24 31.36 2f44 n GLN 64 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41