#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f44 n LEU 2 N 0.00 -0.25 0.30 3.17 7.94 -1.26 -0.22 117.00 126.68 2f44 n LEU 2 Ca 0.00 0.90 0.13 0.00 -1.11 0.00 0.00 56.01 55.93 2f44 n LEU 2 Cb 0.00 -0.29 0.70 0.00 0.53 0.00 0.00 43.42 44.36 2f44 n LEU 2 CO 0.00 -0.58 1.06 1.56 -1.11 0.00 0.00 177.39 178.31 2f44 h GLN 3 N 0.00 0.00 -0.04 1.96 1.08 -1.97 0.19 115.11 116.34 2f44 h GLN 3 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2f44 h GLN 3 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2f44 h GLN 3 CO -0.22 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 178.94 2f44 n LEU 4 N -2.71 2.93 -4.72 1.46 4.77 0.70 -4.32 117.00 115.10 2f44 n LEU 4 Ca -0.02 -1.01 -0.42 0.00 -0.03 0.00 0.00 56.01 54.54 2f44 n LEU 4 Cb 0.39 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 2f44 n LEU 4 CO 0.11 0.50 0.91 0.26 -1.33 0.00 0.00 177.39 177.84 2f44 s TRP 5 N -1.91 3.40 0.84 -1.77 0.51 0.06 -4.90 118.94 115.16 2f44 s TRP 5 Ca 0.27 1.30 -0.10 0.00 -2.12 0.00 0.00 56.10 55.45 2f44 s TRP 5 Cb 0.19 -3.47 0.19 0.00 -0.81 0.00 0.00 33.47 29.57 2f44 s TRP 5 CO 0.29 -1.44 1.15 -1.13 -0.51 0.00 0.00 176.95 175.31 2f44 n SER 6 N 3.26 0.51 0.22 2.95 3.41 -1.26 -1.49 113.62 121.22 2f44 n SER 6 Ca 0.07 -1.67 0.06 0.00 -0.26 0.00 0.00 58.87 57.07 2f44 n SER 6 Cb 0.45 -0.84 0.51 0.00 -0.26 0.00 0.00 64.21 64.07 2f44 n SER 6 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2f44 h LYS 7 N 0.00 0.00 -0.05 4.33 2.10 -1.93 -2.47 116.57 118.55 2f44 h LYS 7 Ca -0.37 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.10 2f44 h LYS 7 Cb 1.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.45 2f44 h LYS 7 CO 0.30 0.22 -0.72 0.74 -2.00 0.00 0.00 179.45 178.00 2f44 h PHE 8 N 0.00 0.37 -0.17 0.07 0.04 -1.92 -2.34 116.94 112.98 2f44 h PHE 8 Ca -0.00 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.56 2f44 h PHE 8 Cb 0.44 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 2f44 h PHE 8 CO 0.00 0.90 -0.05 -0.44 -0.60 0.00 0.00 178.31 178.12 2f44 h ASP 9 N 0.18 0.34 -1.00 2.17 3.32 -1.81 -0.35 116.42 119.28 2f44 h ASP 9 Ca -0.02 -0.38 0.13 0.00 0.02 0.00 0.00 57.03 56.78 2f44 h ASP 9 Cb 1.28 -0.09 -0.09 0.00 0.22 0.00 0.00 39.33 40.65 2f44 h ASP 9 CO 0.11 0.64 0.63 0.58 -1.72 0.00 0.00 179.24 179.49 2f44 h VAL 10 N 0.04 0.89 -0.47 -1.35 2.07 -1.44 0.44 116.25 116.43 2f44 h VAL 10 Ca 0.04 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2f44 h VAL 10 Cb 0.50 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2f44 h VAL 10 CO 0.02 0.18 0.16 1.23 0.02 0.00 0.00 177.57 179.18 2f44 h GLY 11 N 0.96 0.77 1.29 2.17 0.00 -0.96 -0.52 103.07 106.78 2f44 h GLY 11 Ca 0.51 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 2f44 h GLY 11 CO -0.28 0.41 0.06 -0.55 0.00 0.00 0.00 176.54 176.18 2f44 h ASP 12 N 0.61 0.83 -0.72 0.19 3.32 0.80 -2.48 116.42 118.98 2f44 h ASP 12 Ca 0.15 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 2f44 h ASP 12 Cb 0.24 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2f44 h ASP 12 CO -0.01 0.86 0.20 -0.25 -1.72 0.00 0.00 179.24 178.32 2f44 h TRP 13 N 0.82 1.18 -0.86 4.55 7.01 0.15 -1.48 115.95 127.31 2f44 h TRP 13 Ca 0.17 -0.13 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 2f44 h TRP 13 Cb 0.40 -0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 27.09 2f44 h TRP 13 CO 0.02 0.94 0.42 -0.07 -2.79 0.00 0.00 178.44 176.97 2f44 h LEU 14 N 1.07 1.12 -0.50 0.65 3.38 -0.74 -2.22 115.31 118.07 2f44 h LEU 14 Ca 0.23 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2f44 h LEU 14 Cb 0.34 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2f44 h LEU 14 CO -0.00 0.93 0.15 -0.33 0.09 0.00 0.00 178.44 179.28 2f44 h GLU 15 N 1.22 0.79 0.00 1.13 5.08 -1.06 0.18 114.58 121.92 2f44 h GLU 15 Ca 0.30 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2f44 h GLU 15 Cb 0.10 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2f44 h GLU 15 CO -0.04 0.74 0.00 0.66 -1.00 0.00 0.00 179.01 179.37 2f44 h SER 16 N 0.69 0.00 -0.31 1.42 4.64 -0.70 0.13 113.55 119.42 2f44 h SER 16 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2f44 h SER 16 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2f44 h SER 16 CO -0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 2f44 n ILE 17 N -3.04 2.17 -3.37 0.95 -5.35 -0.94 -4.97 119.36 104.80 2f44 n ILE 17 Ca -0.02 -1.72 -0.19 0.00 -0.27 0.00 0.00 62.75 60.55 2f44 n ILE 17 Cb 0.11 -0.16 0.06 0.00 -1.74 0.00 0.00 39.64 37.92 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 -0.25 -2.30 -2.29 4.28 8.25 0.03 -4.91 115.22 118.04 2f44 n HIS 18 Ca 0.21 0.81 0.04 0.00 -0.26 0.00 0.00 57.72 58.52 2f44 n HIS 18 Cb 0.87 -4.22 0.07 0.00 1.12 0.00 0.00 29.99 27.83 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 -4.08 1.48 0.30 2.41 4.77 0.60 -4.84 117.00 117.64 2f44 n LEU 19 Ca 0.01 -2.53 0.18 0.00 -0.03 0.00 0.00 56.01 53.63 2f44 n LEU 19 Cb 0.55 -0.12 0.95 0.00 -2.33 0.00 0.00 43.42 42.47 2f44 n LEU 19 CO 0.52 0.76 1.09 1.23 -1.33 0.00 0.00 177.39 179.66 2f44 h GLY 20 N 1.07 0.00 2.00 -0.72 0.00 -1.79 0.45 103.07 104.09 2f44 h GLY 20 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2f44 h GLY 20 CO 0.09 0.00 -0.01 1.05 0.00 0.00 0.00 176.54 177.66 2f44 h GLU 21 N 0.00 0.00 -0.01 4.80 4.11 -1.90 -2.04 114.58 119.54 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 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2f44 h GLU 21 CO 0.00 0.01 -0.41 0.72 0.07 0.00 0.00 179.01 179.41 2f44 n HIS 22 N -3.51 0.00 -0.13 2.06 8.25 0.15 -4.55 115.22 117.49 2f44 n HIS 22 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 2f44 n HIS 22 Cb 0.10 -0.06 0.19 0.00 1.12 0.00 0.00 29.99 31.35 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 1.77 0.83 -0.16 -0.41 0.11 -1.49 -2.44 114.38 112.59 2f44 h ARG 23 Ca 0.00 -0.17 -0.00 0.00 0.10 0.00 0.00 59.98 59.90 2f44 h ARG 23 Cb 0.64 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 2f44 h ARG 23 CO 0.00 0.75 0.08 -0.44 0.10 0.00 0.00 179.97 180.46 2f44 h ASP 24 N 0.80 0.21 -0.63 0.08 3.32 -1.80 -0.58 116.42 117.81 2f44 h ASP 24 Ca 0.17 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2f44 h ASP 24 Cb 0.30 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2f44 h ASP 24 CO -0.00 0.26 0.08 -0.09 -1.72 0.00 0.00 179.24 177.77 2f44 h ARG 25 N 0.14 1.06 -0.84 3.56 2.43 -1.86 0.61 114.38 119.48 2f44 h ARG 25 Ca 0.06 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 2f44 h ARG 25 Cb 0.10 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 2f44 h ARG 25 CO -0.01 0.99 0.48 0.74 -1.51 0.00 0.00 179.97 180.66 2f44 h PHE 26 N 0.97 1.14 -0.48 2.20 -1.00 -1.30 -1.27 116.94 117.20 2f44 h PHE 26 Ca 0.19 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.88 2f44 h PHE 26 Cb 0.46 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 2f44 h PHE 26 CO 0.03 0.79 0.03 1.49 -1.61 0.00 0.00 178.31 179.04 2f44 h GLU 27 N 1.17 0.83 -0.10 1.51 4.81 -0.68 -1.08 114.58 121.03 2f44 h GLU 27 Ca 0.30 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2f44 h GLU 27 Cb 0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2f44 h GLU 27 CO -0.05 0.86 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.49 2f44 h ASP 28 N 0.69 0.15 -0.06 1.04 3.32 -0.42 -1.51 116.42 119.63 2f44 h ASP 28 Ca 0.14 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2f44 h ASP 28 Cb 0.47 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2f44 h ASP 28 CO 0.02 0.33 0.00 1.41 -1.72 0.00 0.00 179.24 179.28 2f44 n HIS 29 N -4.27 0.07 -3.22 4.55 8.25 -0.52 -4.93 115.22 115.15 2f44 n HIS 29 Ca -0.01 -0.03 -0.20 0.00 -0.26 0.00 0.00 57.72 57.21 2f44 n HIS 29 Cb 0.27 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.12 -5.75 -2.41 -0.41 -0.58 -0.57 -4.95 120.64 105.86 2f44 n GLU 30 Ca 0.18 0.73 -0.42 0.00 -0.42 0.00 0.00 57.16 57.23 2f44 n GLU 30 Cb 0.26 -5.37 -0.03 0.00 -0.57 0.00 0.00 31.44 25.74 2f44 n GLU 30 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2f44 s ILE 31 N -3.20 4.13 0.39 -3.67 -1.09 -0.46 -4.94 121.20 112.36 2f44 s ILE 31 Ca 0.40 1.47 0.08 0.00 -2.23 0.00 0.00 60.65 60.37 2f44 s ILE 31 Cb -0.18 -3.94 -0.07 0.00 -1.58 0.00 0.00 42.46 36.69 2f44 s ILE 31 CO 0.50 0.00 0.03 -1.83 -1.23 0.00 0.00 174.94 172.41 2f44 s GLU 32 N 2.23 2.01 0.23 2.79 -1.05 -1.26 -4.03 118.70 119.61 2f44 s GLU 32 Ca 0.58 -1.97 -0.14 0.00 -0.15 0.00 0.00 54.97 53.29 2f44 s GLU 32 Cb -0.26 -1.76 0.28 0.00 -0.44 0.00 0.00 34.13 31.94 2f44 s GLU 32 CO 0.23 -0.01 1.59 0.78 0.95 0.00 0.00 175.26 178.81 2f44 h GLY 33 N 1.75 0.38 1.86 -3.83 0.00 -1.41 -0.42 103.07 101.40 2f44 h GLY 33 Ca -0.43 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2f44 h GLY 33 CO 0.75 -0.27 0.06 0.00 0.00 0.00 0.00 176.54 177.08 2f44 h ALA 34 N 1.59 1.06 0.11 3.60 0.00 -1.75 -2.68 119.26 121.18 2f44 h ALA 34 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.95 2f44 h ALA 34 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2f44 h ALA 34 CO -0.80 -0.06 -1.56 0.45 0.00 0.00 0.00 179.25 177.29 2f44 h HIS 35 N 0.00 0.43 -0.82 0.00 3.86 -1.45 -3.41 115.15 113.76 2f44 h HIS 35 Ca 0.00 -0.31 0.11 0.00 -1.16 0.00 0.00 60.37 59.00 2f44 h HIS 35 Cb 0.13 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 28.46 2f44 h HIS 35 CO 0.00 1.38 -0.47 -0.07 0.86 0.00 0.00 177.93 179.63 2f44 h LEU 36 N 0.06 -1.69 -2.68 2.43 3.38 -1.47 -1.22 115.31 114.14 2f44 h LEU 36 Ca -0.25 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2f44 h LEU 36 Cb 2.01 0.79 0.00 0.00 0.09 0.00 0.00 40.66 43.55 2f44 h LEU 36 CO 0.15 -0.29 0.04 -0.65 0.09 0.00 0.00 178.44 177.78 2f44 h PRO 37 N -0.10 0.00 -0.01 1.13 0.11 -1.79 -2.35 132.00 128.99 2f44 h PRO 37 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2f44 h PRO 37 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2f44 h PRO 37 CO -0.85 0.00 -0.64 0.00 -0.21 0.00 0.00 178.00 176.30 2f44 n ALA 38 N -2.02 3.92 -1.83 -0.75 0.00 -0.48 -4.96 120.51 114.39 2f44 n ALA 38 Ca -0.03 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.39 2f44 n ALA 38 Cb 0.10 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.61 4.37 0.59 0.00 1.43 -0.89 -5.00 118.68 116.57 2f44 s LEU 39 Ca 0.14 2.79 0.04 0.00 -1.03 0.00 0.00 54.13 56.07 2f44 s LEU 39 Cb 0.17 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.84 2f44 s LEU 39 CO 0.65 -0.83 0.82 0.42 0.23 0.00 0.00 176.35 177.64 2f44 s THR 40 N 0.25 2.41 0.40 5.49 -4.23 -1.26 -4.93 115.64 113.77 2f44 s THR 40 Ca 0.64 -0.78 0.07 0.00 -1.18 0.00 0.00 61.69 60.43 2f44 s THR 40 Cb -0.45 -2.63 0.27 0.00 1.34 0.00 0.00 72.50 71.03 2f44 s THR 40 CO 0.42 0.00 2.05 0.50 -0.54 0.00 0.00 174.62 177.05 2f44 h LYS 41 N -0.00 0.58 -0.13 3.99 3.64 -2.00 -1.72 116.57 120.93 2f44 h LYS 41 Ca -0.37 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 58.79 2f44 h LYS 41 Cb 1.28 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2f44 h LYS 41 CO 0.44 0.38 -0.70 0.93 -2.27 0.00 0.00 179.45 178.24 2f44 h GLU 42 N 0.60 0.56 -0.52 1.90 3.07 -1.99 -2.35 114.58 115.85 2f44 h GLU 42 Ca 0.17 -0.43 -0.04 0.00 -0.50 0.00 0.00 59.36 58.56 2f44 h GLU 42 Cb -0.03 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 2f44 h GLU 42 CO -0.04 1.05 0.17 -0.44 -1.40 0.00 0.00 179.01 178.36 2f44 h ASP 43 N 0.40 0.74 -0.71 1.42 3.32 -1.73 -1.26 116.42 118.60 2f44 h ASP 43 Ca -0.03 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 2f44 h ASP 43 Cb 1.28 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 2f44 h ASP 43 CO 0.13 0.74 0.40 -0.26 -1.72 0.00 0.00 179.24 178.53 2f44 h PHE 44 N 0.70 0.97 -0.19 4.55 0.04 -1.29 0.16 116.94 121.88 2f44 h PHE 44 Ca 0.17 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2f44 h PHE 44 Cb 0.26 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 2f44 h PHE 44 CO 0.01 0.67 0.09 0.28 -0.60 0.00 0.00 178.31 178.76 2f44 h VAL 45 N 1.00 1.15 0.00 -0.55 2.07 -0.98 0.16 116.25 119.10 2f44 h VAL 45 Ca 0.26 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2f44 h VAL 45 Cb 0.02 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2f44 h VAL 45 CO -0.04 0.14 -0.09 -0.08 0.02 0.00 0.00 177.57 177.52 2f44 h GLU 46 N 0.17 0.00 -0.01 1.57 4.81 -0.53 -1.18 114.58 119.41 2f44 h GLU 46 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2f44 h GLU 46 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2f44 h GLU 46 CO -0.01 0.09 -0.06 1.28 -0.73 0.00 0.00 179.01 179.59 2f44 n LEU 47 N -3.53 1.08 0.00 1.64 4.77 0.49 -4.92 117.00 116.53 2f44 n LEU 47 Ca -0.02 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2f44 n LEU 47 Cb 0.22 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2f44 n LEU 47 CO 0.29 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2f44 n GLY 48 N 1.19 0.57 3.44 -0.72 0.00 -0.45 -4.65 105.19 104.57 2f44 n GLY 48 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 2f44 n GLY 48 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2f44 n VAL 49 N -2.00 4.19 1.15 1.61 0.31 0.48 -4.72 118.33 119.35 2f44 n VAL 49 Ca 0.00 -4.56 0.13 0.00 -0.01 0.00 0.00 64.34 59.89 2f44 n VAL 49 Cb 0.00 -2.44 0.33 0.00 -0.91 0.00 0.00 33.84 30.82 2f44 n VAL 49 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2f44 n THR 50 N 4.87 0.10 -3.61 2.52 -2.24 -1.26 -4.11 114.28 110.55 2f44 n THR 50 Ca 0.40 -0.41 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 2f44 n THR 50 Cb 0.43 0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 69.39 2f44 n THR 50 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2f44 s ARG 51 N -1.90 3.44 0.33 -0.78 0.52 -1.26 -4.97 118.95 114.33 2f44 s ARG 51 Ca 0.34 -0.66 0.11 0.00 -0.52 0.00 0.00 55.73 55.01 2f44 s ARG 51 Cb 0.20 -3.64 0.94 0.00 0.52 0.00 0.00 34.95 32.97 2f44 s ARG 51 CO 0.31 -0.40 1.72 0.28 0.02 0.00 0.00 175.30 177.23 2f44 h VAL 52 N 5.58 0.50 -0.85 3.52 2.07 -2.00 0.11 116.25 125.17 2f44 h VAL 52 Ca -0.32 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2f44 h VAL 52 Cb 1.15 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2f44 h VAL 52 CO 0.61 0.10 0.52 1.23 0.02 0.00 0.00 177.57 180.05 2f44 h GLY 53 N 0.52 1.23 1.43 2.17 0.00 -1.98 -0.42 103.07 106.02 2f44 h GLY 53 Ca 0.66 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 47.33 2f44 h GLY 53 CO -0.48 0.49 -0.51 0.45 0.00 0.00 0.00 176.54 176.49 2f44 h HIS 54 N 1.16 0.74 -0.40 5.60 3.86 -1.22 -0.96 115.15 123.94 2f44 h HIS 54 Ca 0.31 -0.25 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 2f44 h HIS 54 Cb -0.06 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 2f44 h HIS 54 CO -0.00 0.98 -0.08 0.00 0.86 0.00 0.00 177.93 179.69 2f44 h ARG 55 N 0.47 0.69 -0.13 2.45 3.08 -1.06 -1.34 114.38 118.54 2f44 h ARG 55 Ca 0.02 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 2f44 h ARG 55 Cb 1.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 2f44 h ARG 55 CO 0.10 0.76 -0.37 0.93 -1.07 0.00 0.00 179.97 180.32 2f44 h GLU 56 N 0.64 0.27 -0.39 0.04 4.39 -0.76 -0.43 114.58 118.33 2f44 h GLU 56 Ca 0.12 -0.12 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 2f44 h GLU 56 Cb 0.51 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2f44 h GLU 56 CO 0.03 0.61 -0.38 -0.91 -1.16 0.00 0.00 179.01 177.20 2f44 h ASN 57 N 0.23 1.00 -0.04 1.42 2.35 -0.51 -0.05 115.58 119.98 2f44 h ASN 57 Ca 0.03 -0.45 -0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2f44 h ASN 57 Cb 0.76 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 2f44 h ASN 57 CO 0.06 1.26 0.02 0.40 -1.65 0.00 0.00 177.43 177.51 2f44 h ILE 58 N 0.77 1.15 -0.32 2.81 2.04 -0.97 -0.68 117.51 122.32 2f44 h ILE 58 Ca 0.06 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.50 2f44 h ILE 58 Cb 0.97 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 2f44 h ILE 58 CO 0.09 0.13 0.13 -0.08 0.00 0.00 0.00 178.15 178.42 2f44 h GLU 59 N -0.11 0.27 -0.76 2.37 4.57 -1.01 -1.10 114.58 118.81 2f44 h GLU 59 Ca 0.01 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2f44 h GLU 59 Cb 0.19 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 2f44 h GLU 59 CO -0.00 0.18 0.32 -0.09 -1.18 0.00 0.00 179.01 178.24 2f44 h ARG 60 N 0.28 1.12 -0.19 1.92 2.43 -0.90 -2.38 114.38 116.67 2f44 h ARG 60 Ca 0.14 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 2f44 h ARG 60 Cb 0.09 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2f44 h ARG 60 CO -0.13 0.90 -0.20 0.00 -1.51 0.00 0.00 179.97 179.04 2f44 h ALA 61 N 1.24 1.31 -0.23 2.80 0.00 -0.57 -2.25 119.26 121.55 2f44 h ALA 61 Ca 0.26 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2f44 h ALA 61 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2f44 h ALA 61 CO -0.02 0.46 -0.34 -0.07 0.00 0.00 0.00 179.25 179.28 2f44 h LEU 62 N 0.30 0.52 -0.61 0.00 3.38 -0.73 -2.92 115.31 115.25 2f44 h LEU 62 Ca 0.05 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 2f44 h LEU 62 Cb 0.53 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2f44 h LEU 62 CO 0.04 0.82 -0.66 0.03 0.09 0.00 0.00 178.44 178.76 2f44 h ARG 63 N 0.43 0.15 -0.26 1.13 3.08 -1.08 -2.19 114.38 115.63 2f44 h ARG 63 Ca 0.05 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.02 2f44 h ARG 63 Cb 0.80 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2f44 h ARG 63 CO 0.07 0.76 0.18 1.96 -1.07 0.00 0.00 179.97 181.86 2f44 h GLN 64 N 0.11 0.19 -0.02 0.04 4.20 -1.23 -3.52 115.11 114.89 2f44 h GLN 64 Ca -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2f44 h GLN 64 Cb 1.18 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2f44 h GLN 64 CO 0.10 0.13 0.00 1.28 -0.67 0.00 0.00 178.83 179.67