#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 5.52 0.37 6.12 -4.77 -1.26 -4.82 116.67 117.83 1c15 s ASP 2 Ca 0.00 1.40 0.20 0.00 -3.30 0.00 0.00 52.55 50.84 1c15 s ASP 2 Cb 0.00 -2.52 0.53 0.00 -1.09 0.00 0.00 42.92 39.84 1c15 s ASP 2 CO 0.00 -1.99 1.66 0.00 0.70 0.00 0.00 175.17 175.54 1c15 h ALA 3 N 14.58 0.89 -0.88 2.11 0.00 -2.02 -3.20 119.26 130.74 1c15 h ALA 3 Ca -0.34 -0.31 0.21 0.00 0.00 0.00 0.00 54.91 54.46 1c15 h ALA 3 Cb 1.20 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1c15 h ALA 3 CO 1.04 0.43 0.59 -0.22 0.00 0.00 0.00 179.25 181.09 1c15 h LYS 4 N 0.00 0.29 -0.33 0.00 3.64 -1.87 0.13 116.57 118.42 1c15 h LYS 4 Ca -0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1c15 h LYS 4 Cb 1.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1c15 h LYS 4 CO 0.04 0.19 -0.24 0.00 -2.27 0.00 0.00 179.45 177.18 1c15 h ALA 5 N 1.61 0.96 -0.01 5.00 0.00 -1.54 -2.59 119.26 122.68 1c15 h ALA 5 Ca 0.45 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1c15 h ALA 5 Cb 1.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1c15 h ALA 5 CO -0.13 0.60 -0.49 -0.09 0.00 0.00 0.00 179.25 179.14 1c15 h ARG 6 N 0.57 0.03 0.00 0.00 2.43 -0.95 -2.83 114.38 113.64 1c15 h ARG 6 Ca 0.08 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1c15 h ARG 6 Cb 0.71 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1c15 h ARG 6 CO 0.05 0.51 -0.60 -0.91 -1.51 0.00 0.00 179.97 177.51 1c15 h ASN 7 N 0.03 0.00 0.12 -3.80 2.35 -1.13 -3.06 115.58 110.09 1c15 h ASN 7 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1c15 h ASN 7 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.25 1c15 h ASN 7 CO 0.07 0.60 -0.06 0.00 -1.65 0.00 0.00 177.43 176.39 1c15 h LEU 9 N -0.29 0.54 -1.72 0.00 7.12 -1.59 -1.01 115.31 118.36 1c15 h LEU 9 Ca -0.02 -0.02 -0.03 0.00 0.13 0.00 0.00 57.88 57.94 1c15 h LEU 9 Cb 0.23 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.23 1c15 h LEU 9 CO 0.03 0.41 -0.12 -0.07 -0.13 0.00 0.00 178.44 178.55 1c15 h LEU 10 N 0.63 0.02 -1.88 2.25 3.38 -1.36 -0.90 115.31 117.45 1c15 h LEU 10 Ca 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1c15 h LEU 10 Cb -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1c15 h LEU 10 CO -0.03 0.15 0.00 1.67 0.09 0.00 0.00 178.44 180.31 1c15 n GLN 11 N -4.38 2.41 -0.79 1.13 7.27 -0.39 -4.07 117.38 118.56 1c15 n GLN 11 Ca -0.02 -1.65 -0.00 0.00 0.07 0.00 0.00 57.00 55.40 1c15 n GLN 11 Cb 0.20 -1.53 0.29 0.00 2.41 0.00 0.00 30.24 31.60 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 0.64 1.87 0.05 3.69 -0.00 -0.34 -4.47 115.22 116.67 1c15 n HIS 12 Ca 0.15 -0.82 -0.07 0.00 0.46 0.00 0.00 57.72 57.44 1c15 n HIS 12 Cb 0.50 -0.52 -0.05 0.00 -0.12 0.00 0.00 29.99 29.80 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 2.66 -0.23 -0.56 1.57 2.43 -1.77 -0.89 114.38 117.60 1c15 h ARG 13 Ca 0.12 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1c15 h ARG 13 Cb 1.89 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 31.46 1c15 h ARG 13 CO 0.51 0.03 0.37 1.49 -1.51 0.00 0.00 179.97 180.87 1c15 h GLU 14 N -1.01 0.65 -0.00 0.20 4.81 -1.93 0.85 114.58 118.15 1c15 h GLU 14 Ca -0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1c15 h GLU 14 Cb 0.37 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1c15 h GLU 14 CO 0.04 0.43 -0.03 0.00 -0.73 0.00 0.00 179.01 178.73 1c15 h ALA 15 N 1.67 0.01 -0.21 2.92 0.00 -1.82 -3.23 119.26 118.59 1c15 h ALA 15 Ca 0.22 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1c15 h ALA 15 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1c15 h ALA 15 CO -0.06 -0.11 0.03 1.25 0.00 0.00 0.00 179.25 180.36 1c15 h LEU 16 N -0.69 0.28 -0.03 0.00 6.46 -0.90 0.28 115.31 120.70 1c15 h LEU 16 Ca -0.00 -0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1c15 h LEU 16 Cb 0.75 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 1c15 h LEU 16 CO 0.01 0.31 -0.14 -0.08 -0.62 0.00 0.00 178.44 177.91 1c15 h GLU 17 N 0.30 -0.22 0.00 1.25 4.81 -0.86 0.63 114.58 120.50 1c15 h GLU 17 Ca 0.07 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 1c15 h GLU 17 Cb 0.16 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1c15 h GLU 17 CO -0.00 -0.15 -0.94 -0.22 -0.73 0.00 0.00 179.01 176.97 1c15 h LYS 18 N -0.23 0.00 0.00 1.92 3.64 -1.53 -3.39 116.57 116.99 1c15 h LYS 18 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1c15 h LYS 18 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1c15 h LYS 18 CO -0.16 0.39 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.84 1c15 h ASP 19 N 0.00 0.00 -3.81 4.20 3.32 -0.18 -3.45 116.42 116.50 1c15 h ASP 19 Ca -0.08 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.30 1c15 h ASP 19 Cb 1.46 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.66 1c15 h ASP 19 CO 0.05 0.29 -0.74 -0.63 -1.72 0.00 0.00 179.24 176.49 1c15 s ILE 20 N -1.42 2.62 -0.03 0.35 -1.09 0.22 -5.02 121.20 116.83 1c15 s ILE 20 Ca -0.04 -1.52 -0.09 0.00 -2.23 0.00 0.00 60.65 56.77 1c15 s ILE 20 Cb 0.00 -2.53 -0.05 0.00 -1.58 0.00 0.00 42.46 38.30 1c15 s ILE 20 CO 0.05 -0.09 0.27 -0.54 -1.23 0.00 0.00 174.94 173.40 1c15 s LYS 21 N 1.18 3.64 -0.22 2.79 1.02 -1.24 -4.22 119.74 122.69 1c15 s LYS 21 Ca -0.06 0.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.93 1c15 s LYS 21 Cb -0.20 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 1c15 s LYS 21 CO -0.03 0.70 0.57 0.25 -0.92 0.00 0.00 175.35 175.92 1c15 n THR 22 N 1.61 0.00 -3.64 2.17 -2.24 -1.26 -4.78 114.28 106.14 1c15 n THR 22 Ca -0.15 -0.03 -0.07 0.00 -2.27 0.00 0.00 64.05 61.53 1c15 n THR 22 Cb 0.53 -0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.69 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 2.05 -1.39 -0.23 3.42 2.88 -1.26 -4.95 113.62 114.14 1c15 n SER 23 Ca 0.15 -2.15 0.14 0.00 -1.33 0.00 0.00 58.87 55.67 1c15 n SER 23 Cb 0.01 2.37 0.26 0.00 -0.75 0.00 0.00 64.21 66.11 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 0.55 0.08 0.66 9.36 -1.26 0.70 117.16 126.87 1c15 n TYR 24 Ca -0.04 0.82 -0.12 0.00 3.32 0.00 0.00 57.90 61.88 1c15 n TYR 24 Cb 0.41 -1.08 -0.05 0.00 -0.63 0.00 0.00 39.34 37.98 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 0.61 -0.01 2.97 1.08 -1.95 0.43 117.51 120.64 1c15 h ILE 25 Ca 0.47 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.86 1c15 h ILE 25 Cb 1.07 0.61 0.01 0.00 -3.07 0.00 0.00 36.82 35.44 1c15 h ILE 25 CO -0.60 0.00 -0.28 0.24 -0.69 0.00 0.00 178.15 176.81 1c15 h MET 26 N -0.29 0.21 0.78 2.37 2.86 -0.04 -2.75 114.93 118.07 1c15 h MET 26 Ca 0.04 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 1c15 h MET 26 Cb 0.34 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.06 1c15 h MET 26 CO -0.12 0.93 -0.38 0.22 1.06 0.00 0.00 176.91 178.62 1c15 h ASP 27 N -0.42 -0.89 -0.91 1.22 3.58 -0.28 -0.95 116.42 117.77 1c15 h ASP 27 Ca -0.03 0.03 0.17 0.00 0.42 0.00 0.00 57.03 57.62 1c15 h ASP 27 Cb 1.02 0.23 -0.07 0.00 1.72 0.00 0.00 39.33 42.22 1c15 h ASP 27 CO 0.06 -0.63 0.59 -0.74 -2.88 0.00 0.00 179.24 175.64 1c15 h HIS 28 N -1.07 0.77 -0.42 0.28 2.76 -0.29 0.13 115.15 117.31 1c15 h HIS 28 Ca -0.11 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.01 1c15 h HIS 28 Cb 0.81 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1c15 h HIS 28 CO 0.05 0.24 -0.03 1.98 -1.30 0.00 0.00 177.93 178.87 1c15 h MET 29 N 0.62 0.77 -0.06 5.26 1.85 -1.29 -1.55 114.93 120.52 1c15 h MET 29 Ca 0.47 -0.26 -0.06 0.00 -0.61 0.00 0.00 59.70 59.25 1c15 h MET 29 Cb 0.88 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.85 1c15 h MET 29 CO -0.22 0.86 -0.18 0.82 -0.40 0.00 0.00 176.91 177.78 1c15 h ILE 30 N 0.60 1.44 0.00 1.77 2.04 0.16 -3.05 117.51 120.46 1c15 h ILE 30 Ca 0.12 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.40 1c15 h ILE 30 Cb 0.53 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1c15 h ILE 30 CO 0.03 0.44 0.00 0.28 0.00 0.00 0.00 178.15 178.90 1c15 h SER 31 N -0.29 0.00 -0.00 1.72 0.02 -0.81 -2.22 113.55 111.96 1c15 h SER 31 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1c15 h SER 31 Cb 0.81 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1c15 h SER 31 CO 0.04 0.00 0.08 -0.78 -1.14 0.00 0.00 176.83 175.03 1c15 h ASP 32 N 0.00 0.00 0.00 3.07 3.58 -1.16 -3.44 116.42 118.47 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 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 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 -1.12 0.37 0.31 -0.78 0.00 -0.85 -5.03 105.19 98.09 1c15 n GLY 33 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1c15 n GLY 33 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1c15 h PHE 34 N 0.00 -0.74 -3.06 1.61 -1.00 -1.68 -3.44 116.94 108.63 1c15 h PHE 34 Ca 0.00 0.01 -0.42 0.00 2.81 0.00 0.00 57.97 60.37 1c15 h PHE 34 Cb 0.00 0.30 -0.14 0.00 3.61 0.00 0.00 35.95 39.72 1c15 h PHE 34 CO 0.00 -0.39 -0.67 -0.51 -1.61 0.00 0.00 178.31 175.14 1c15 s LEU 35 N -10.26 2.32 0.49 1.54 1.02 -1.23 -4.93 118.68 107.63 1c15 s LEU 35 Ca -0.16 -1.20 -0.23 0.00 0.02 0.00 0.00 54.13 52.56 1c15 s LEU 35 Cb 0.07 -0.41 -0.07 0.00 0.02 0.00 0.00 46.19 45.79 1c15 s LEU 35 CO 0.65 -0.44 1.21 0.35 0.02 0.00 0.00 176.35 178.13 1c15 n THR 36 N -0.47 3.14 0.30 5.49 -2.24 -1.26 -4.76 114.28 114.48 1c15 n THR 36 Ca -0.05 -0.50 0.16 0.00 -2.27 0.00 0.00 64.05 61.39 1c15 n THR 36 Cb 0.64 -1.47 0.92 0.00 -2.10 0.00 0.00 70.33 68.32 1c15 n THR 36 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1c15 h ILE 37 N 1.51 0.41 -0.04 2.28 2.04 -1.95 -1.80 117.51 119.97 1c15 h ILE 37 Ca -0.48 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.22 1c15 h ILE 37 Cb 1.32 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1c15 h ILE 37 CO 0.57 0.03 0.04 0.28 0.00 0.00 0.00 178.15 179.07 1c15 h SER 38 N 0.00 0.00 -0.25 1.72 0.02 -2.00 -2.25 113.55 110.78 1c15 h SER 38 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1c15 h SER 38 Cb 0.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1c15 h SER 38 CO 0.00 0.00 0.08 -0.08 -1.14 0.00 0.00 176.83 175.69 1c15 h GLU 39 N 0.00 0.39 -0.20 3.45 4.81 -1.67 -2.65 114.58 118.72 1c15 h GLU 39 Ca 0.02 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1c15 h GLU 39 Cb 0.10 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1c15 h GLU 39 CO -0.00 0.47 -0.03 1.49 -0.73 0.00 0.00 179.01 180.20 1c15 h GLU 40 N 0.24 0.29 0.00 1.92 4.22 -1.58 -1.61 114.58 118.07 1c15 h GLU 40 Ca 0.08 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.43 1c15 h GLU 40 Cb 0.24 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1c15 h GLU 40 CO -0.00 0.35 -0.18 1.49 -2.18 0.00 0.00 179.01 178.48 1c15 h GLU 41 N 0.29 0.00 0.00 1.92 4.81 -1.35 -2.31 114.58 117.94 1c15 h GLU 41 Ca 0.07 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1c15 h GLU 41 Cb 0.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1c15 h GLU 41 CO 0.01 0.18 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.00 1c15 h LYS 42 N 0.00 0.00 -1.12 1.92 3.64 -1.11 -3.36 116.57 116.54 1c15 h LYS 42 Ca -0.00 0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.69 1c15 h LYS 42 Cb 0.39 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.13 1c15 h LYS 42 CO 0.02 0.03 0.75 0.28 -2.27 0.00 0.00 179.45 178.27 1c15 h VAL 43 N -1.00 0.45 -0.97 2.00 2.07 -1.45 1.04 116.25 118.38 1c15 h VAL 43 Ca -0.01 -0.07 0.25 0.00 0.82 0.00 0.00 66.70 67.69 1c15 h VAL 43 Cb 0.27 0.21 -0.13 0.00 -1.52 0.00 0.00 31.29 30.13 1c15 h VAL 43 CO -0.00 0.04 0.53 -0.09 0.02 0.00 0.00 177.57 178.07 1c15 h ARG 44 N 0.22 0.48 0.00 1.57 2.43 -1.56 -3.24 114.38 114.28 1c15 h ARG 44 Ca 0.60 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.74 1c15 h ARG 44 Cb 1.88 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 1c15 h ARG 44 CO -0.19 0.32 -0.31 -1.71 -1.51 0.00 0.00 179.97 176.57 1c15 n ASN 45 N -4.95 0.00 -0.04 -3.80 5.15 -0.19 -4.91 115.26 106.51 1c15 n ASN 45 Ca 0.26 -1.61 -0.17 0.00 -0.60 0.00 0.00 54.58 52.46 1c15 n ASN 45 Cb 0.75 -0.12 -0.13 0.00 -0.53 0.00 0.00 39.78 39.75 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 0.09 -7.52 1.20 4.22 0.10 -3.47 114.58 109.21 1c15 h GLU 46 Ca 0.00 -0.16 -0.46 0.00 0.08 0.00 0.00 59.36 58.82 1c15 h GLU 46 Cb 1.24 0.06 0.12 0.00 0.50 0.00 0.00 28.75 30.68 1c15 h GLU 46 CO 0.00 1.07 0.32 -1.25 -2.18 0.00 0.00 179.01 176.98 1c15 s PRO 47 N -2.31 1.33 0.00 0.92 0.04 -1.26 -5.02 135.00 128.70 1c15 s PRO 47 Ca -0.19 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1c15 s PRO 47 Cb -0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1c15 s PRO 47 CO 0.72 -2.06 0.00 2.41 0.04 0.00 0.00 177.00 178.10 1c15 n THR 48 N -3.67 0.00 -1.68 1.26 -1.04 -1.26 -4.96 114.28 102.94 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 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 1c15 n THR 48 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1c15 n GLN 49 N -2.08 3.67 0.08 -2.82 0.00 -1.26 -4.94 117.38 110.04 1c15 n GLN 49 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.00 57.08 1c15 n GLN 49 Cb 0.29 0.00 0.36 0.00 0.00 0.00 0.00 30.24 30.88 1c15 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1c15 n GLN 50 N 0.00 0.09 0.12 3.69 10.64 -1.26 -2.75 117.38 127.90 1c15 n GLN 50 Ca 0.00 0.48 0.20 0.00 -1.83 0.00 0.00 57.00 55.85 1c15 n GLN 50 Cb 0.00 -1.73 0.72 0.00 -0.86 0.00 0.00 30.24 28.37 1c15 n GLN 50 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1c15 h GLN 51 N 0.00 0.00 -1.00 2.61 4.15 -1.99 -0.51 115.11 118.38 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 0.13 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.74 1c15 h GLN 51 CO 0.00 0.00 0.63 -0.09 -1.93 0.00 0.00 178.83 177.44 1c15 h ARG 52 N 0.00 1.00 0.00 1.69 2.43 -1.89 0.12 114.38 117.74 1c15 h ARG 52 Ca 0.18 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1c15 h ARG 52 Cb 1.17 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1c15 h ARG 52 CO -0.00 0.66 -0.06 0.00 -1.51 0.00 0.00 179.97 179.06 1c15 n ALA 53 N -2.35 2.43 -0.05 2.80 0.00 -0.20 -2.73 120.51 120.41 1c15 n ALA 53 Ca 0.18 -0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 1c15 n ALA 53 Cb 0.31 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.20 1c15 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c15 h ALA 54 N 2.85 0.15 -0.20 0.00 0.00 -0.82 -3.22 119.26 118.01 1c15 h ALA 54 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 54.91 53.78 1c15 h ALA 54 Cb 0.58 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1c15 h ALA 54 CO 0.00 0.53 -0.60 1.98 0.00 0.00 0.00 179.25 181.16 1c15 h MET 55 N -0.75 0.68 -0.36 0.00 -1.53 -1.40 -1.42 114.93 110.16 1c15 h MET 55 Ca -0.23 -0.46 0.00 0.00 -3.44 0.00 0.00 59.70 55.57 1c15 h MET 55 Cb 1.38 0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 32.48 1c15 h MET 55 CO -0.05 1.08 0.23 1.25 0.14 0.00 0.00 176.91 179.56 1c15 h LEU 56 N 0.51 0.42 -0.26 3.39 5.85 -1.68 0.17 115.31 123.70 1c15 h LEU 56 Ca -0.00 -0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.49 1c15 h LEU 56 Cb 1.18 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1c15 h LEU 56 CO 0.12 0.32 -0.68 0.40 -0.34 0.00 0.00 178.44 178.27 1c15 h ILE 57 N 0.48 1.29 -0.53 4.05 5.03 -1.56 -3.12 117.51 123.15 1c15 h ILE 57 Ca 0.13 -1.89 -0.06 0.00 -0.12 0.00 0.00 64.86 62.92 1c15 h ILE 57 Cb -0.03 1.85 -0.02 0.00 -3.03 0.00 0.00 36.82 35.59 1c15 h ILE 57 CO -0.03 0.60 0.07 0.11 -0.68 0.00 0.00 178.15 178.23 1c15 h LYS 58 N 0.55 0.84 -0.13 2.37 1.57 -1.01 -2.16 116.57 118.60 1c15 h LYS 58 Ca -0.02 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1c15 h LYS 58 Cb 1.29 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1c15 h LYS 58 CO 0.14 0.80 0.07 0.52 -0.57 0.00 0.00 179.45 180.40 1c15 h MET 59 N 0.80 0.18 0.46 3.15 2.86 -0.61 -0.49 114.93 121.27 1c15 h MET 59 Ca 0.17 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1c15 h MET 59 Cb 0.37 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1c15 h MET 59 CO 0.01 0.14 -0.22 0.82 1.06 0.00 0.00 176.91 178.71 1c15 h ILE 60 N 0.18 0.54 0.00 -1.22 2.04 -1.34 -1.98 117.51 115.74 1c15 h ILE 60 Ca 0.05 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 1c15 h ILE 60 Cb 0.01 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1c15 h ILE 60 CO -0.01 0.01 -0.38 -0.07 0.00 0.00 0.00 178.15 177.70 1c15 h LEU 61 N -0.66 0.00 -1.29 1.44 -0.00 -1.50 -2.85 115.31 110.45 1c15 h LEU 61 Ca -0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.74 1c15 h LEU 61 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1c15 h LEU 61 CO 0.10 0.38 -0.35 0.11 -0.00 0.00 0.00 178.44 178.69 1c15 h LYS 62 N 0.00 0.00 0.19 1.13 1.57 -0.81 -3.29 116.57 115.35 1c15 h LYS 62 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1c15 h LYS 62 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1c15 h LYS 62 CO 0.05 0.35 -0.09 -0.22 -0.57 0.00 0.00 179.45 178.97 1c15 h LYS 63 N 0.00 -0.24 -2.99 3.15 3.11 -1.12 -3.49 116.57 114.99 1c15 h LYS 63 Ca -0.00 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.89 1c15 h LYS 63 Cb 0.65 0.05 -0.07 0.00 -1.00 0.00 0.00 32.23 31.86 1c15 h LYS 63 CO 0.05 -0.16 0.23 0.34 -2.81 0.00 0.00 179.45 177.09 1c15 s ASP 64 N -3.82 -0.36 0.24 4.20 2.15 -1.22 -5.04 116.67 112.83 1c15 s ASP 64 Ca -0.04 -0.41 0.14 0.00 0.43 0.00 0.00 52.55 52.68 1c15 s ASP 64 Cb 0.00 0.68 0.02 0.00 -0.30 0.00 0.00 42.92 43.33 1c15 s ASP 64 CO 0.11 -1.22 1.37 0.78 -0.17 0.00 0.00 175.17 176.04 1c15 h ASN 65 N 2.00 0.00 -0.28 -0.34 2.35 -1.88 -3.26 115.58 114.17 1c15 h ASN 65 Ca -0.24 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.48 1c15 h ASN 65 Cb 1.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.62 1c15 h ASN 65 CO 0.28 0.55 0.10 0.44 -1.65 0.00 0.00 177.43 177.15 1c15 h ASP 66 N 0.00 0.45 -0.81 5.81 3.32 -1.96 -2.19 116.42 121.05 1c15 h ASP 66 Ca -0.02 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1c15 h ASP 66 Cb 1.44 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.83 1c15 h ASP 66 CO 0.07 0.45 0.53 -1.28 -1.72 0.00 0.00 179.24 177.29 1c15 h SER 67 N 0.49 0.91 -0.08 6.45 0.87 -1.88 -0.96 113.55 119.35 1c15 h SER 67 Ca 0.12 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 1c15 h SER 67 Cb 0.16 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1c15 h SER 67 CO -0.01 0.65 -0.19 0.22 -0.53 0.00 0.00 176.83 176.97 1c15 h TYR 68 N 1.07 0.51 -0.19 2.24 3.20 -1.56 -1.37 116.97 120.85 1c15 h TYR 68 Ca 0.30 -0.09 -0.20 0.00 3.14 0.00 0.00 58.73 61.88 1c15 h TYR 68 Cb -0.08 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.07 1c15 h TYR 68 CO -0.00 0.63 -0.67 0.28 -1.64 0.00 0.00 178.16 176.76 1c15 h VAL 69 N 0.42 1.28 -0.37 1.81 2.07 -1.18 -3.13 116.25 117.16 1c15 h VAL 69 Ca 0.07 -1.87 -0.07 0.00 0.82 0.00 0.00 66.70 65.65 1c15 h VAL 69 Cb 0.58 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1c15 h VAL 69 CO 0.04 0.60 -0.06 -1.28 0.02 0.00 0.00 177.57 176.88 1c15 h SER 70 N 0.54 0.69 -0.48 0.57 0.87 -1.03 -2.63 113.55 112.07 1c15 h SER 70 Ca -0.03 -0.35 0.14 0.00 -1.23 0.00 0.00 61.79 60.32 1c15 h SER 70 Cb 1.29 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 1c15 h SER 70 CO 0.14 0.88 0.35 0.15 -0.53 0.00 0.00 176.83 177.81 1c15 h PHE 71 N 0.49 0.00 -0.51 2.24 3.57 -1.29 0.29 116.94 121.74 1c15 h PHE 71 Ca 0.10 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 1c15 h PHE 71 Cb 0.56 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1c15 h PHE 71 CO 0.05 0.00 -0.16 -0.92 -2.23 0.00 0.00 178.31 175.05 1c15 h TYR 72 N 0.00 1.13 0.02 0.41 3.20 -1.41 -2.94 116.97 117.38 1c15 h TYR 72 Ca 0.23 -0.25 -0.22 0.00 3.14 0.00 0.00 58.73 61.63 1c15 h TYR 72 Cb 0.92 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 1c15 h TYR 72 CO 0.00 1.07 -0.96 -0.97 -1.64 0.00 0.00 178.16 175.66 1c15 h ASN 73 N 0.88 0.41 -0.22 -2.11 -1.24 -0.99 -2.86 115.58 109.45 1c15 h ASN 73 Ca 0.13 -0.35 0.01 0.00 0.71 0.00 0.00 56.30 56.80 1c15 h ASN 73 Cb 0.72 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.64 1c15 h ASN 73 CO 0.06 1.16 0.14 0.00 -1.29 0.00 0.00 177.43 177.50 1c15 h ALA 74 N 0.81 1.88 0.16 1.57 0.00 -1.08 -1.59 119.26 121.00 1c15 h ALA 74 Ca -0.07 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 1c15 h ALA 74 Cb 1.60 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.32 1c15 h ALA 74 CO 0.16 0.11 -1.52 -0.07 0.00 0.00 0.00 179.25 177.93 1c15 h LEU 75 N 0.27 0.54 -0.72 0.00 3.38 -1.51 -3.27 115.31 114.00 1c15 h LEU 75 Ca 0.08 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1c15 h LEU 75 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1c15 h LEU 75 CO -0.02 1.56 0.00 0.18 0.09 0.00 0.00 178.44 180.25 1c15 n LEU 76 N -3.55 0.71 0.24 1.67 4.77 -0.94 -2.09 117.00 117.81 1c15 n LEU 76 Ca -0.17 0.67 0.12 0.00 -0.03 0.00 0.00 56.01 56.60 1c15 n LEU 76 Cb 1.06 -0.57 0.54 0.00 -2.33 0.00 0.00 43.42 42.12 1c15 n LEU 76 CO 0.53 -0.57 0.86 -0.74 -1.33 0.00 0.00 177.39 176.15 1c15 h HIS 77 N 0.00 0.00 0.00 -1.77 2.76 -1.36 -3.40 115.15 111.39 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 0.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1c15 h HIS 77 CO 0.00 0.16 0.00 0.39 -1.30 0.00 0.00 177.93 177.18 1c15 n GLU 78 N -3.35 0.00 -1.31 5.26 -0.58 -1.06 -5.03 120.64 114.57 1c15 n GLU 78 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1c15 n GLU 78 Cb 0.38 -0.15 0.01 0.00 -0.57 0.00 0.00 31.44 31.11 1c15 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c15 n GLY 79 N 2.59 -0.28 1.66 0.62 0.00 -1.19 -4.98 105.19 103.61 1c15 n GLY 79 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.22 1.63 -0.38 1.61 4.01 -0.89 -4.56 117.16 118.36 1c15 n TYR 80 Ca -0.05 -0.64 0.35 0.00 -0.16 0.00 0.00 57.90 57.40 1c15 n TYR 80 Cb 0.50 -0.31 0.71 0.00 -0.31 0.00 0.00 39.34 39.92 1c15 n TYR 80 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1c15 h LYS 81 N 4.07 0.08 0.10 -0.72 3.64 -1.89 0.38 116.57 122.23 1c15 h LYS 81 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1c15 h LYS 81 Cb 1.59 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1c15 h LYS 81 CO 0.29 0.05 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.04 1c15 h ASP 82 N 0.08 -0.12 -0.04 4.20 3.32 -1.97 0.10 116.42 122.00 1c15 h ASP 82 Ca 0.64 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 1c15 h ASP 82 Cb 2.34 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.92 1c15 h ASP 82 CO -0.10 0.24 -0.06 0.25 -1.72 0.00 0.00 179.24 177.85 1c15 h LEU 83 N -0.49 0.12 -1.51 1.55 6.46 -1.20 -3.14 115.31 117.10 1c15 h LEU 83 Ca -0.01 -0.55 0.06 0.00 -0.12 0.00 0.00 57.88 57.25 1c15 h LEU 83 Cb 0.40 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.26 1c15 h LEU 83 CO 0.02 0.65 0.40 0.00 -0.62 0.00 0.00 178.44 178.89 1c15 h ALA 84 N 0.47 1.79 -0.58 1.25 0.00 -0.46 -1.17 119.26 120.57 1c15 h ALA 84 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1c15 h ALA 84 Cb 0.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1c15 h ALA 84 CO 0.01 0.11 0.34 0.00 0.00 0.00 0.00 179.25 179.72 1c15 h ALA 85 N 1.67 1.51 -0.56 0.00 0.00 -0.92 -0.87 119.26 120.08 1c15 h ALA 85 Ca 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1c15 h ALA 85 Cb 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1c15 h ALA 85 CO -0.08 0.42 0.22 1.25 0.00 0.00 0.00 179.25 181.07 1c15 h LEU 86 N 0.80 0.73 0.00 0.00 6.46 -1.18 -0.16 115.31 121.95 1c15 h LEU 86 Ca 0.21 -0.09 -0.21 0.00 -0.12 0.00 0.00 57.88 57.66 1c15 h LEU 86 Cb -0.02 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.69 1c15 h LEU 86 CO -0.04 0.66 -1.05 -0.07 -0.62 0.00 0.00 178.44 177.32 1c15 h LEU 87 N 0.79 0.00 0.12 2.25 3.38 -1.34 -3.12 115.31 117.40 1c15 h LEU 87 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1c15 h LEU 87 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1c15 h LEU 87 CO -0.02 0.99 -0.06 -0.74 0.09 0.00 0.00 178.44 178.70 1c15 h HIS 88 N 0.00 -0.16 0.00 1.13 2.76 -0.78 -2.87 115.15 115.23 1c15 h HIS 88 Ca -0.03 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1c15 h HIS 88 Cb 1.78 0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.79 1c15 h HIS 88 CO 0.00 0.27 0.00 -0.44 -1.30 0.00 0.00 177.93 176.46 1c15 h ASP 89 N -0.93 0.00 1.21 3.26 5.19 -1.19 -0.53 116.42 123.43 1c15 h ASP 89 Ca -0.02 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.32 1c15 h ASP 89 Cb 0.49 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1c15 h ASP 89 CO 0.03 0.00 -0.82 1.23 -3.12 0.00 0.00 179.24 176.56 1c15 h GLY 90 N 0.03 0.00 0.70 2.75 0.00 -1.55 -3.19 103.07 101.81 1c15 h GLY 90 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1c15 h GLY 90 CO 0.00 0.00 -0.21 -2.22 0.00 0.00 0.00 176.54 174.11 1c15 h ILE 91 N 0.00 0.53 0.12 2.60 2.04 -0.85 -3.24 117.51 118.70 1c15 h ILE 91 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1c15 h ILE 91 Cb 1.26 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1c15 h ILE 91 CO 0.03 0.00 -0.06 1.55 0.00 0.00 0.00 178.15 179.67 1c15 h PRO 92 N -0.44 -0.15 -3.48 2.37 0.13 -1.71 -3.20 132.00 125.53 1c15 h PRO 92 Ca 0.01 0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 65.00 1c15 h PRO 92 Cb 0.43 0.03 -0.21 0.00 0.13 0.00 0.00 31.00 31.38 1c15 h PRO 92 CO -0.08 0.34 -0.48 0.08 -0.23 0.00 0.00 178.00 177.63 1c15 s VAL 93 N -3.43 0.08 0.06 1.56 1.01 -1.20 -4.93 120.40 113.55 1c15 s VAL 93 Ca -0.14 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 1c15 s VAL 93 Cb 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 36.38 35.85 1c15 s VAL 93 CO 0.52 -0.35 1.36 0.58 0.00 0.00 0.00 175.10 177.22 1c15 h VAL 94 N 4.29 0.00 0.00 2.92 2.07 -1.79 -3.29 116.25 120.45 1c15 h VAL 94 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1c15 h VAL 94 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1c15 h VAL 94 CO 0.40 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.75 1c15 n SER 95 N -4.39 0.00 0.08 0.57 2.88 -1.26 -4.53 113.62 106.97 1c15 n SER 95 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1c15 n SER 95 Cb 0.29 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1c15 n SER 95 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1c15 n SER 96 N -2.01 0.25 -0.74 -3.46 2.88 -1.26 -5.16 113.62 104.13 1c15 n SER 96 Ca 0.00 0.26 0.09 0.00 -1.33 0.00 0.00 58.87 57.89 1c15 n SER 96 Cb 0.00 0.08 0.08 0.00 -0.75 0.00 0.00 64.21 63.62 1c15 n SER 96 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61