#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c15 s ASP 2 N 0.00 -0.09 0.52 6.12 -4.77 -1.26 -5.02 116.67 112.16 1c15 s ASP 2 Ca 0.00 0.14 0.26 0.00 -3.30 0.00 0.00 52.55 49.65 1c15 s ASP 2 Cb 0.00 0.26 1.42 0.00 -1.09 0.00 0.00 42.92 43.51 1c15 s ASP 2 CO 0.00 -0.13 2.07 0.00 0.70 0.00 0.00 175.17 177.81 1c15 h ALA 3 N 5.51 1.35 -0.05 2.11 0.00 -1.99 -2.93 119.26 123.25 1c15 h ALA 3 Ca -0.27 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1c15 h ALA 3 Cb 1.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1c15 h ALA 3 CO 0.42 0.15 -0.04 -0.22 0.00 0.00 0.00 179.25 179.55 1c15 h LYS 4 N 0.00 -0.05 -0.53 0.00 3.64 -1.96 0.67 116.57 118.34 1c15 h LYS 4 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1c15 h LYS 4 Cb 0.31 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1c15 h LYS 4 CO 0.02 -0.04 0.28 0.00 -2.27 0.00 0.00 179.45 177.44 1c15 h ALA 5 N 0.99 1.50 -0.29 5.00 0.00 -1.47 -1.81 119.26 123.18 1c15 h ALA 5 Ca 0.04 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1c15 h ALA 5 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1c15 h ALA 5 CO -0.08 0.41 -0.31 -0.09 0.00 0.00 0.00 179.25 179.18 1c15 h ARG 6 N 0.73 0.60 -0.19 0.00 2.43 -1.36 -2.78 114.38 113.82 1c15 h ARG 6 Ca 0.19 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1c15 h ARG 6 Cb 0.04 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1c15 h ARG 6 CO -0.03 0.84 -0.17 -0.91 -1.51 0.00 0.00 179.97 178.19 1c15 h ASN 7 N 0.51 0.31 0.76 -3.80 -0.26 -0.05 -2.32 115.58 110.74 1c15 h ASN 7 Ca 0.06 -0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1c15 h ASN 7 Cb 0.79 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.97 1c15 h ASN 7 CO 0.06 0.51 -0.49 0.00 -1.06 0.00 0.00 177.43 176.45 1c15 h LEU 9 N -1.18 0.55 -0.70 0.00 7.12 -1.57 0.11 115.31 119.63 1c15 h LEU 9 Ca -0.10 -0.01 -0.11 0.00 0.13 0.00 0.00 57.88 57.78 1c15 h LEU 9 Cb 0.96 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.94 1c15 h LEU 9 CO 0.08 0.39 -0.54 -0.07 -0.13 0.00 0.00 178.44 178.17 1c15 h LEU 10 N 0.64 0.00 -1.43 2.25 3.38 -0.92 -2.94 115.31 116.29 1c15 h LEU 10 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1c15 h LEU 10 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1c15 h LEU 10 CO -0.05 0.54 0.00 1.67 0.09 0.00 0.00 178.44 180.69 1c15 n GLN 11 N -3.60 1.96 -1.09 1.13 7.27 0.28 -4.08 117.38 119.26 1c15 n GLN 11 Ca -0.00 -1.42 -0.19 0.00 0.07 0.00 0.00 57.00 55.46 1c15 n GLN 11 Cb 0.61 -1.46 0.18 0.00 2.41 0.00 0.00 30.24 31.99 1c15 n GLN 11 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1c15 n HIS 12 N 0.68 2.71 0.10 3.69 -0.00 -0.12 -4.53 115.22 117.75 1c15 n HIS 12 Ca 0.17 -1.62 -0.11 0.00 0.46 0.00 0.00 57.72 56.62 1c15 n HIS 12 Cb 0.44 -0.84 -0.07 0.00 -0.12 0.00 0.00 29.99 29.39 1c15 n HIS 12 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1c15 h ARG 13 N 1.18 -0.31 -0.42 1.57 2.43 -1.75 -0.15 114.38 116.93 1c15 h ARG 13 Ca 0.52 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.70 1c15 h ARG 13 Cb 2.62 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 32.22 1c15 h ARG 13 CO 0.95 0.05 0.20 1.49 -1.51 0.00 0.00 179.97 181.15 1c15 h GLU 14 N -0.87 0.58 -0.05 0.20 4.81 -1.93 0.15 114.58 117.47 1c15 h GLU 14 Ca -0.03 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 58.94 1c15 h GLU 14 Cb 0.51 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1c15 h GLU 14 CO 0.05 0.46 -0.78 0.00 -0.73 0.00 0.00 179.01 178.01 1c15 h ALA 15 N 1.63 0.56 0.07 2.92 0.00 -1.85 -3.22 119.26 119.38 1c15 h ALA 15 Ca 0.15 -0.64 -0.27 0.00 0.00 0.00 0.00 54.91 54.15 1c15 h ALA 15 Cb 0.07 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 17.83 1c15 h ALA 15 CO -0.02 0.79 -1.09 1.25 0.00 0.00 0.00 179.25 180.18 1c15 h LEU 16 N 0.24 0.83 -0.89 0.00 6.46 -0.40 -1.72 115.31 119.82 1c15 h LEU 16 Ca -0.04 -0.80 0.16 0.00 -0.12 0.00 0.00 57.88 57.08 1c15 h LEU 16 Cb 1.37 -0.26 -0.10 0.00 -0.73 0.00 0.00 40.66 40.95 1c15 h LEU 16 CO 0.13 1.54 0.48 -0.08 -0.62 0.00 0.00 178.44 179.89 1c15 h GLU 17 N 0.23 0.64 0.04 1.25 4.81 -0.77 0.81 114.58 121.58 1c15 h GLU 17 Ca -0.16 -0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 58.76 1c15 h GLU 17 Cb 1.77 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.97 1c15 h GLU 17 CO 0.21 0.42 -1.46 -0.22 -0.73 0.00 0.00 179.01 177.23 1c15 h LYS 18 N 0.66 0.08 0.00 1.92 3.64 -1.61 -3.41 116.57 117.84 1c15 h LYS 18 Ca 0.50 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1c15 h LYS 18 Cb 0.73 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1c15 h LYS 18 CO -0.37 0.85 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.10 1c15 h ASP 19 N 0.02 0.00 -3.30 4.20 3.32 -0.33 -3.46 116.42 116.87 1c15 h ASP 19 Ca -0.20 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.19 1c15 h ASP 19 Cb 1.94 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 41.20 1c15 h ASP 19 CO 0.12 0.28 -0.77 -0.63 -1.72 0.00 0.00 179.24 176.52 1c15 s ILE 20 N -1.40 2.95 -0.02 0.35 -1.09 0.27 -5.04 121.20 117.21 1c15 s ILE 20 Ca -0.03 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 57.78 1c15 s ILE 20 Cb 0.00 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.56 1c15 s ILE 20 CO 0.05 0.48 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.56 1c15 s LYS 21 N 1.17 2.43 -0.20 2.79 1.02 -1.26 -4.00 119.74 121.69 1c15 s LYS 21 Ca 0.02 -0.75 -0.05 0.00 0.02 0.00 0.00 55.97 55.20 1c15 s LYS 21 Cb -0.14 -2.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 1c15 s LYS 21 CO -0.04 0.60 0.53 0.25 -0.92 0.00 0.00 175.35 175.77 1c15 n THR 22 N 2.00 0.00 -3.56 2.17 -2.24 -1.26 -4.77 114.28 106.62 1c15 n THR 22 Ca -0.17 -0.03 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 1c15 n THR 22 Cb 0.52 -0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.70 1c15 n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1c15 n SER 23 N 1.90 -1.55 -0.24 3.42 2.88 -1.26 -4.96 113.62 113.81 1c15 n SER 23 Ca 0.14 -2.05 0.10 0.00 -1.33 0.00 0.00 58.87 55.72 1c15 n SER 23 Cb 0.01 2.57 0.20 0.00 -0.75 0.00 0.00 64.21 66.24 1c15 n SER 23 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c15 n TYR 24 N -0.37 0.43 0.03 0.66 9.36 -1.26 -0.35 117.16 125.65 1c15 n TYR 24 Ca -0.06 0.82 -0.08 0.00 3.32 0.00 0.00 57.90 61.90 1c15 n TYR 24 Cb 0.40 -1.01 -0.05 0.00 -0.63 0.00 0.00 39.34 38.06 1c15 n TYR 24 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1c15 h ILE 25 N 0.00 0.00 0.13 2.97 1.08 -1.96 0.33 117.51 120.06 1c15 h ILE 25 Ca 0.41 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.87 1c15 h ILE 25 Cb 0.84 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1c15 h ILE 25 CO -0.64 0.00 -0.06 0.24 -0.69 0.00 0.00 178.15 177.00 1c15 h MET 26 N -0.36 -0.17 -0.87 2.37 2.86 -1.39 -3.20 114.93 114.17 1c15 h MET 26 Ca 0.01 0.01 0.22 0.00 -2.06 0.00 0.00 59.70 57.88 1c15 h MET 26 Cb 0.39 0.04 -0.13 0.00 0.06 0.00 0.00 31.60 31.95 1c15 h MET 26 CO -0.19 0.30 0.29 0.22 1.06 0.00 0.00 176.91 178.59 1c15 h ASP 27 N -0.81 0.12 -0.75 1.22 1.82 -0.70 0.53 116.42 117.84 1c15 h ASP 27 Ca -0.02 0.18 0.02 0.00 -0.39 0.00 0.00 57.03 56.82 1c15 h ASP 27 Cb 0.55 0.21 -0.04 0.00 0.68 0.00 0.00 39.33 40.73 1c15 h ASP 27 CO 0.03 -0.10 0.50 -0.74 -1.61 0.00 0.00 179.24 177.32 1c15 h HIS 28 N 0.28 0.93 0.00 0.28 2.76 -0.40 -1.75 115.15 117.25 1c15 h HIS 28 Ca 0.55 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.56 1c15 h HIS 28 Cb 1.07 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 1c15 h HIS 28 CO -0.22 0.57 -0.84 0.52 -1.30 0.00 0.00 177.93 176.66 1c15 h MET 29 N 0.99 0.00 0.04 5.26 2.86 -0.14 -2.69 114.93 121.25 1c15 h MET 29 Ca 0.28 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1c15 h MET 29 Cb -0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1c15 h MET 29 CO -0.07 0.81 -0.02 0.82 1.06 0.00 0.00 176.91 179.52 1c15 h ILE 30 N 0.00 1.12 0.00 -1.22 1.08 0.33 -2.88 117.51 115.95 1c15 h ILE 30 Ca -0.01 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1c15 h ILE 30 Cb 1.64 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.85 1c15 h ILE 30 CO 0.11 0.13 0.00 0.28 -0.69 0.00 0.00 178.15 177.97 1c15 h SER 31 N -0.27 0.00 -0.13 1.72 0.02 -1.51 -2.75 113.55 110.63 1c15 h SER 31 Ca -0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1c15 h SER 31 Cb 0.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1c15 h SER 31 CO 0.01 0.00 0.19 -0.78 -1.14 0.00 0.00 176.83 175.11 1c15 h ASP 32 N 0.00 0.00 0.00 3.07 3.58 -1.25 -3.44 116.42 118.39 1c15 h ASP 32 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1c15 h ASP 32 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1c15 h ASP 32 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1c15 n GLY 33 N -1.33 0.68 0.00 -0.78 0.00 -1.19 -5.05 105.19 97.52 1c15 n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1c15 n GLY 33 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1c15 n PHE 34 N 0.00 0.00 -4.02 1.61 3.72 -1.21 -4.79 117.46 112.77 1c15 n PHE 34 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 1c15 n PHE 34 Cb 0.00 -0.38 -0.04 0.00 -0.94 0.00 0.00 39.48 38.11 1c15 n PHE 34 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1c15 s LEU 35 N -3.63 3.70 0.82 4.37 2.01 -1.04 -4.94 118.68 119.96 1c15 s LEU 35 Ca 0.00 -0.37 -0.11 0.00 0.01 0.00 0.00 54.13 53.66 1c15 s LEU 35 Cb 0.00 -2.25 0.08 0.00 0.01 0.00 0.00 46.19 44.03 1c15 s LEU 35 CO 0.00 -0.15 1.09 0.42 1.01 0.00 0.00 176.35 178.72 1c15 s THR 36 N -2.21 3.08 0.09 5.49 -4.23 -1.26 -4.45 115.64 112.16 1c15 s THR 36 Ca 0.36 0.35 0.09 0.00 -1.18 0.00 0.00 61.69 61.31 1c15 s THR 36 Cb -0.07 -2.88 -0.15 0.00 1.34 0.00 0.00 72.50 70.74 1c15 s THR 36 CO 0.25 -0.46 1.34 0.40 -0.54 0.00 0.00 174.62 175.61 1c15 h ILE 37 N -1.26 1.54 -0.28 2.99 2.04 -1.95 -3.23 117.51 117.36 1c15 h ILE 37 Ca -0.46 -3.10 -0.02 0.00 1.00 0.00 0.00 64.86 62.28 1c15 h ILE 37 Cb 1.25 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 40.03 1c15 h ILE 37 CO 0.54 0.86 0.08 0.28 0.00 0.00 0.00 178.15 179.91 1c15 h SER 38 N 0.00 0.36 1.00 1.72 0.02 -2.01 -1.67 113.55 112.97 1c15 h SER 38 Ca -0.01 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.80 1c15 h SER 38 Cb 1.64 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 64.07 1c15 h SER 38 CO 0.11 0.36 -0.51 -0.08 -1.14 0.00 0.00 176.83 175.58 1c15 h GLU 39 N 0.40 0.00 -0.11 3.45 4.81 -1.95 -3.20 114.58 117.98 1c15 h GLU 39 Ca 0.10 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.10 1c15 h GLU 39 Cb 0.14 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.53 1c15 h GLU 39 CO -0.01 0.51 -0.83 1.49 -0.73 0.00 0.00 179.01 179.44 1c15 h GLU 40 N 0.00 0.71 -0.52 1.92 4.57 -1.37 -2.74 114.58 117.14 1c15 h GLU 40 Ca -0.01 -0.61 -0.03 0.00 -1.18 0.00 0.00 59.36 57.53 1c15 h GLU 40 Cb 1.14 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.85 1c15 h GLU 40 CO 0.07 1.22 0.22 1.49 -1.18 0.00 0.00 179.01 180.83 1c15 h GLU 41 N 0.47 0.74 -0.19 1.92 4.81 -1.45 -2.56 114.58 118.32 1c15 h GLU 41 Ca -0.06 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 58.90 1c15 h GLU 41 Cb 1.45 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1c15 h GLU 41 CO 0.16 0.60 -0.53 -0.22 -0.73 0.00 0.00 179.01 178.29 1c15 h LYS 42 N 0.74 0.69 -0.55 1.92 3.64 -1.55 -3.13 116.57 118.32 1c15 h LYS 42 Ca 0.18 -0.49 0.05 0.00 -1.27 0.00 0.00 60.65 59.11 1c15 h LYS 42 Cb 0.13 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1c15 h LYS 42 CO -0.02 1.11 0.36 0.28 -2.27 0.00 0.00 179.45 178.92 1c15 h VAL 43 N 0.39 1.02 -0.20 2.00 2.07 -1.17 1.11 116.25 121.47 1c15 h VAL 43 Ca -0.01 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1c15 h VAL 43 Cb 1.15 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1c15 h VAL 43 CO 0.11 0.10 0.25 -0.09 0.02 0.00 0.00 177.57 177.97 1c15 h ARG 44 N 0.56 0.00 0.00 1.57 2.43 -1.41 -3.07 114.38 114.46 1c15 h ARG 44 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1c15 h ARG 44 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1c15 h ARG 44 CO -0.06 0.00 -0.23 -1.71 -1.51 0.00 0.00 179.97 176.45 1c15 n ASN 45 N -3.65 0.00 -0.07 -3.80 5.15 -0.46 -4.90 115.26 107.52 1c15 n ASN 45 Ca 0.02 -1.47 -0.14 0.00 -0.60 0.00 0.00 54.58 52.40 1c15 n ASN 45 Cb 0.37 -0.09 -0.11 0.00 -0.53 0.00 0.00 39.78 39.42 1c15 n ASN 45 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1c15 h GLU 46 N 0.00 0.00 -7.54 1.20 4.81 0.13 -3.47 114.58 109.72 1c15 h GLU 46 Ca 0.00 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.77 1c15 h GLU 46 Cb 1.19 0.00 0.12 0.00 0.63 0.00 0.00 28.75 30.69 1c15 h GLU 46 CO 0.00 0.88 0.34 -1.25 -0.73 0.00 0.00 179.01 178.25 1c15 s PRO 47 N -2.18 1.38 0.00 0.92 0.04 -1.26 -5.02 135.00 128.87 1c15 s PRO 47 Ca -0.19 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1c15 s PRO 47 Cb -0.01 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1c15 s PRO 47 CO 0.60 -2.02 0.00 2.41 0.04 0.00 0.00 177.00 178.02 1c15 n THR 48 N -3.63 0.00 -1.56 1.26 -1.04 -1.26 -4.97 114.28 103.08 1c15 n THR 48 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1c15 n THR 48 Cb 0.60 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 1c15 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c15 n GLN 49 N -2.21 3.73 0.00 -2.82 1.13 -1.26 -4.95 117.38 111.00 1c15 n GLN 49 Ca 0.00 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.13 1c15 n GLN 49 Cb 0.38 0.00 0.33 0.00 0.11 0.00 0.00 30.24 31.06 1c15 n GLN 49 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1c15 n GLN 50 N 0.00 0.06 0.11 -1.09 3.00 -1.26 -3.20 117.38 114.99 1c15 n GLN 50 Ca 0.00 0.22 0.20 0.00 -0.01 0.00 0.00 57.00 57.41 1c15 n GLN 50 Cb 0.00 -1.50 0.73 0.00 0.00 0.00 0.00 30.24 29.47 1c15 n GLN 50 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1c15 h GLN 51 N 0.00 0.00 -0.37 -1.09 4.15 -1.98 -0.13 115.11 115.68 1c15 h GLN 51 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.53 1c15 h GLN 51 Cb 0.22 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1c15 h GLN 51 CO 0.00 0.00 0.43 -0.09 -1.93 0.00 0.00 178.83 177.24 1c15 h ARG 52 N 0.00 0.00 0.00 1.69 2.43 -1.92 0.23 114.38 116.81 1c15 h ARG 52 Ca 0.19 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.19 1c15 h ARG 52 Cb 1.15 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 1c15 h ARG 52 CO -0.00 0.00 -1.19 0.00 -1.51 0.00 0.00 179.97 177.26 1c15 h ALA 53 N 1.48 0.65 0.00 2.80 0.00 -1.32 -3.17 119.26 119.70 1c15 h ALA 53 Ca 0.18 -0.82 -0.18 0.00 0.00 0.00 0.00 54.91 54.09 1c15 h ALA 53 Cb 1.04 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1c15 h ALA 53 CO -0.00 0.94 -0.84 0.00 0.00 0.00 0.00 179.25 179.35 1c15 h ALA 54 N 1.37 0.56 0.01 0.00 0.00 -0.69 -3.21 119.26 117.31 1c15 h ALA 54 Ca -0.13 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 1c15 h ALA 54 Cb 1.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1c15 h ALA 54 CO 0.06 1.05 -0.01 1.98 0.00 0.00 0.00 179.25 182.33 1c15 h MET 55 N 0.00 -0.01 -0.95 0.00 -1.53 -1.47 -3.15 114.93 107.82 1c15 h MET 55 Ca -0.01 0.00 0.23 0.00 -3.44 0.00 0.00 59.70 56.48 1c15 h MET 55 Cb 1.54 0.00 -0.07 0.00 -0.55 0.00 0.00 31.60 32.52 1c15 h MET 55 CO 0.11 0.71 0.63 1.25 0.14 0.00 0.00 176.91 179.75 1c15 h LEU 56 N -0.97 0.40 -0.61 3.39 5.85 -1.68 0.17 115.31 121.86 1c15 h LEU 56 Ca -0.00 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1c15 h LEU 56 Cb 0.73 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1c15 h LEU 56 CO 0.00 0.14 -0.65 0.40 -0.34 0.00 0.00 178.44 177.98 1c15 h ILE 57 N 0.38 1.42 -0.18 4.05 5.03 -1.64 -3.13 117.51 123.44 1c15 h ILE 57 Ca 0.50 -2.13 -0.15 0.00 -0.12 0.00 0.00 64.86 62.97 1c15 h ILE 57 Cb 1.30 2.11 -0.01 0.00 -3.03 0.00 0.00 36.82 37.20 1c15 h ILE 57 CO -0.20 0.62 -0.52 0.50 -0.68 0.00 0.00 178.15 177.87 1c15 h LYS 58 N 0.13 0.51 0.00 2.37 3.64 -0.64 -2.93 116.57 119.65 1c15 h LYS 58 Ca -0.01 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.01 1c15 h LYS 58 Cb 1.18 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1c15 h LYS 58 CO 0.10 0.91 -0.24 0.52 -2.27 0.00 0.00 179.45 178.47 1c15 h MET 59 N 0.40 0.00 0.31 1.90 2.86 -1.34 0.18 114.93 119.23 1c15 h MET 59 Ca 0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1c15 h MET 59 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1c15 h MET 59 CO 0.10 0.24 -0.15 0.82 1.06 0.00 0.00 176.91 178.98 1c15 h ILE 60 N 0.00 0.72 -0.10 -1.22 2.04 -1.48 -1.77 117.51 115.70 1c15 h ILE 60 Ca -0.00 -0.26 -0.21 0.00 1.00 0.00 0.00 64.86 65.40 1c15 h ILE 60 Cb 0.44 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1c15 h ILE 60 CO 0.03 0.05 -0.77 -0.07 0.00 0.00 0.00 178.15 177.39 1c15 h LEU 61 N -0.56 0.69 -2.21 1.44 -0.00 -1.55 -3.08 115.31 110.04 1c15 h LEU 61 Ca -0.04 -0.46 -0.00 0.00 -0.00 0.00 0.00 57.88 57.37 1c15 h LEU 61 Cb 0.41 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1c15 h LEU 61 CO 0.07 1.23 -0.01 0.11 -0.00 0.00 0.00 178.44 179.84 1c15 h LYS 62 N 0.39 0.00 0.04 1.13 1.79 -0.61 -3.19 116.57 116.11 1c15 h LYS 62 Ca -0.05 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1c15 h LYS 62 Cb 1.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 1c15 h LYS 62 CO 0.14 0.01 -0.02 -0.22 -1.08 0.00 0.00 179.45 178.29 1c15 h LYS 63 N 0.00 -0.05 -2.38 3.15 3.11 -1.24 -3.50 116.57 115.67 1c15 h LYS 63 Ca -0.00 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 1c15 h LYS 63 Cb 0.03 0.01 -0.16 0.00 -1.00 0.00 0.00 32.23 31.10 1c15 h LYS 63 CO 0.00 -0.03 0.21 0.34 -2.81 0.00 0.00 179.45 177.16 1c15 s ASP 64 N -4.28 -0.62 0.38 4.20 -1.08 -1.18 -5.03 116.67 109.07 1c15 s ASP 64 Ca -0.01 0.44 0.21 0.00 -0.52 0.00 0.00 52.55 52.66 1c15 s ASP 64 Cb 0.00 0.56 0.58 0.00 -1.46 0.00 0.00 42.92 42.60 1c15 s ASP 64 CO 0.02 -0.74 1.68 0.78 0.52 0.00 0.00 175.17 177.43 1c15 h ASN 65 N 2.61 0.00 -0.56 -0.34 2.35 -1.84 -3.15 115.58 114.64 1c15 h ASN 65 Ca -0.29 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 1c15 h ASN 65 Cb 1.21 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.55 1c15 h ASN 65 CO 0.38 0.31 0.26 0.44 -1.65 0.00 0.00 177.43 177.18 1c15 h ASP 66 N 0.00 0.77 -0.06 5.81 5.19 -1.96 -1.84 116.42 124.34 1c15 h ASP 66 Ca -0.00 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1c15 h ASP 66 Cb 0.99 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 1c15 h ASP 66 CO 0.04 0.67 0.00 -1.28 -3.12 0.00 0.00 179.24 175.55 1c15 h SER 67 N 0.85 0.17 -0.36 6.45 0.87 -1.86 -2.04 113.55 117.63 1c15 h SER 67 Ca 0.21 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 1c15 h SER 67 Cb 0.12 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1c15 h SER 67 CO -0.02 0.21 -0.24 0.22 -0.53 0.00 0.00 176.83 176.46 1c15 h TYR 68 N 0.19 0.99 -0.39 2.24 3.20 -1.47 -2.29 116.97 119.43 1c15 h TYR 68 Ca 0.05 -0.24 -0.09 0.00 3.14 0.00 0.00 58.73 61.58 1c15 h TYR 68 Cb 0.13 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1c15 h TYR 68 CO 0.00 1.01 -0.12 0.28 -1.64 0.00 0.00 178.16 177.69 1c15 h VAL 69 N 0.74 1.28 -0.75 1.81 2.07 -1.28 -3.00 116.25 117.12 1c15 h VAL 69 Ca 0.09 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 1c15 h VAL 69 Cb 0.79 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1c15 h VAL 69 CO 0.07 0.41 0.31 -1.28 0.02 0.00 0.00 177.57 177.09 1c15 h SER 70 N 0.57 1.02 -0.89 0.57 0.87 -1.37 -2.26 113.55 112.05 1c15 h SER 70 Ca 0.10 -0.15 0.16 0.00 -1.23 0.00 0.00 61.79 60.67 1c15 h SER 70 Cb 0.65 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.28 1c15 h SER 70 CO 0.04 0.90 0.58 0.15 -0.53 0.00 0.00 176.83 177.97 1c15 h PHE 71 N 1.09 0.74 -0.32 2.24 3.04 -1.27 0.23 116.94 122.68 1c15 h PHE 71 Ca 0.25 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 1c15 h PHE 71 Cb 0.19 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 1c15 h PHE 71 CO 0.02 0.24 0.12 -0.92 -2.02 0.00 0.00 178.31 175.75 1c15 h TYR 72 N 0.60 0.50 0.00 0.41 3.20 -1.38 -2.69 116.97 117.61 1c15 h TYR 72 Ca 0.46 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.24 1c15 h TYR 72 Cb 0.87 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1c15 h TYR 72 CO -0.00 0.49 -0.24 -0.97 -1.64 0.00 0.00 178.16 175.79 1c15 h ASN 73 N 0.37 0.00 0.05 -2.11 -1.24 -1.16 -2.90 115.58 108.59 1c15 h ASN 73 Ca 0.11 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.01 1c15 h ASN 73 Cb 0.21 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 1c15 h ASN 73 CO -0.01 0.24 -0.33 0.00 -1.29 0.00 0.00 177.43 176.05 1c15 h ALA 74 N 1.76 1.08 0.07 1.57 0.00 -0.30 -2.90 119.26 120.53 1c15 h ALA 74 Ca -0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 54.91 54.24 1c15 h ALA 74 Cb 0.99 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1c15 h ALA 74 CO 0.03 0.58 -1.48 -0.07 0.00 0.00 0.00 179.25 178.31 1c15 h LEU 75 N 0.35 0.24 -0.91 0.00 3.38 -1.47 -3.29 115.31 113.61 1c15 h LEU 75 Ca 0.04 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1c15 h LEU 75 Cb 0.75 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1c15 h LEU 75 CO 0.06 1.29 0.00 0.18 0.09 0.00 0.00 178.44 180.06 1c15 n LEU 76 N -3.36 0.68 0.25 1.67 4.77 -1.10 -2.37 117.00 117.55 1c15 n LEU 76 Ca -0.14 0.70 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 1c15 n LEU 76 Cb 1.03 -0.64 0.67 0.00 -2.33 0.00 0.00 43.42 42.14 1c15 n LEU 76 CO 0.48 -0.67 0.93 -0.74 -1.33 0.00 0.00 177.39 176.07 1c15 h HIS 77 N 0.00 0.00 0.00 -1.77 2.76 -1.58 -3.38 115.15 111.18 1c15 h HIS 77 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1c15 h HIS 77 Cb 0.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1c15 h HIS 77 CO 0.00 0.14 0.00 0.39 -1.30 0.00 0.00 177.93 177.16 1c15 n GLU 78 N -3.56 0.00 -2.53 5.26 1.02 -1.00 -5.02 120.64 114.81 1c15 n GLU 78 Ca -0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.09 1c15 n GLU 78 Cb 0.29 -0.21 0.01 0.00 -0.02 0.00 0.00 31.44 31.51 1c15 n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1c15 n GLY 79 N 2.29 -0.30 1.18 0.62 0.00 -1.21 -4.99 105.19 102.79 1c15 n GLY 79 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1c15 n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1c15 n TYR 80 N -0.52 1.16 -0.40 1.61 4.02 -1.12 -4.63 117.16 117.27 1c15 n TYR 80 Ca -0.20 -0.69 0.35 0.00 -0.01 0.00 0.00 57.90 57.34 1c15 n TYR 80 Cb 0.67 -0.25 0.68 0.00 -0.02 0.00 0.00 39.34 40.42 1c15 n TYR 80 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1c15 h LYS 81 N 2.86 0.11 0.37 -0.72 3.64 -1.88 0.86 116.57 121.81 1c15 h LYS 81 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1c15 h LYS 81 Cb 1.36 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1c15 h LYS 81 CO 0.21 0.07 -0.18 -0.44 -2.27 0.00 0.00 179.45 176.85 1c15 h ASP 82 N 0.12 -0.42 -0.49 4.20 3.32 -2.00 -1.89 116.42 119.26 1c15 h ASP 82 Ca 0.67 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.70 1c15 h ASP 82 Cb 2.34 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 41.97 1c15 h ASP 82 CO -0.16 -0.16 0.19 0.25 -1.72 0.00 0.00 179.24 177.64 1c15 h LEU 83 N -0.78 0.72 -1.34 1.55 6.46 -1.67 -2.21 115.31 118.05 1c15 h LEU 83 Ca -0.05 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1c15 h LEU 83 Cb 0.38 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1c15 h LEU 83 CO 0.08 0.67 0.45 0.00 -0.62 0.00 0.00 178.44 179.02 1c15 h ALA 84 N 1.44 1.52 -0.40 1.25 0.00 0.66 -1.45 119.26 122.27 1c15 h ALA 84 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1c15 h ALA 84 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1c15 h ALA 84 CO -0.01 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.88 1c15 h ALA 85 N 1.58 1.60 -0.22 0.00 0.00 -0.68 -0.06 119.26 121.47 1c15 h ALA 85 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1c15 h ALA 85 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1c15 h ALA 85 CO -0.05 0.33 0.12 1.25 0.00 0.00 0.00 179.25 180.89 1c15 h LEU 86 N 0.55 0.28 -0.24 0.00 7.12 -1.24 0.52 115.31 122.30 1c15 h LEU 86 Ca 0.14 -0.10 -0.20 0.00 0.13 0.00 0.00 57.88 57.85 1c15 h LEU 86 Cb 0.06 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 1c15 h LEU 86 CO -0.02 0.30 -0.64 -0.07 -0.13 0.00 0.00 178.44 177.89 1c15 h LEU 87 N 0.25 0.97 0.50 2.25 3.38 -1.41 0.20 115.31 121.45 1c15 h LEU 87 Ca 0.08 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1c15 h LEU 87 Cb 0.09 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1c15 h LEU 87 CO -0.01 1.37 -0.24 -0.74 0.09 0.00 0.00 178.44 178.91 1c15 h HIS 88 N 0.63 -0.62 0.00 1.13 2.76 -0.88 -1.71 115.15 116.46 1c15 h HIS 88 Ca -0.01 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 1c15 h HIS 88 Cb 1.26 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 30.41 1c15 h HIS 88 CO 0.08 -0.33 -0.30 -0.44 -1.30 0.00 0.00 177.93 175.64 1c15 h ASP 89 N -0.79 0.00 1.09 3.26 5.19 -0.97 -2.74 116.42 121.46 1c15 h ASP 89 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1c15 h ASP 89 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1c15 h ASP 89 CO 0.11 0.30 0.00 0.61 -3.12 0.00 0.00 179.24 177.14 1c15 n GLY 90 N 0.28 -1.48 0.19 2.75 0.00 0.69 -2.08 105.19 105.53 1c15 n GLY 90 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1c15 n GLY 90 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1c15 h ILE 91 N 0.00 0.36 -0.02 -0.61 2.04 -0.99 -3.32 117.51 114.96 1c15 h ILE 91 Ca 0.00 -0.85 -0.14 0.00 1.00 0.00 0.00 64.86 64.87 1c15 h ILE 91 Cb 0.54 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1c15 h ILE 91 CO 0.00 0.09 -0.64 1.55 0.00 0.00 0.00 178.15 179.15 1c15 h PRO 92 N -1.02 0.08 -6.24 2.37 0.13 -1.69 -3.15 132.00 122.49 1c15 h PRO 92 Ca -0.04 -0.06 -0.68 0.00 -0.87 0.00 0.00 66.00 64.35 1c15 h PRO 92 Cb 0.44 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 31.38 1c15 h PRO 92 CO 0.06 0.70 -0.72 0.08 -0.23 0.00 0.00 178.00 177.89 1c15 s VAL 93 N -3.60 3.51 0.00 1.56 1.01 -0.88 -4.98 120.40 117.02 1c15 s VAL 93 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1c15 s VAL 93 Cb 0.12 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1c15 s VAL 93 CO 0.78 0.53 0.24 0.52 0.00 0.00 0.00 175.10 177.17 1c15 n VAL 94 N 2.02 0.00 -0.87 2.92 0.31 -1.26 -4.26 118.33 117.19 1c15 n VAL 94 Ca -0.17 0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 1c15 n VAL 94 Cb 0.53 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 1c15 n VAL 94 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1c15 n SER 95 N -0.74 0.20 0.19 4.52 2.88 -1.26 -4.82 113.62 114.59 1c15 n SER 95 Ca 0.00 -1.07 0.14 0.00 -1.33 0.00 0.00 58.87 56.61 1c15 n SER 95 Cb 0.00 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.19 1c15 n SER 95 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1c15 h SER 96 N 0.00 0.00 -0.02 -3.46 0.87 -1.98 -3.54 113.55 105.42 1c15 h SER 96 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1c15 h SER 96 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1c15 h SER 96 CO 0.00 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.10