#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 -0.26 0.54 7.83 -4.77 -1.26 -5.02 116.67 113.73 1c15 s ASP 2 Ca 0.00 -0.06 0.28 0.00 -3.30 0.00 0.00 52.55 49.47 1c15 s ASP 2 Cb 0.00 0.42 1.54 0.00 -1.09 0.00 0.00 42.92 43.79 1c15 s ASP 2 CO 0.00 -0.68 2.11 0.00 0.70 0.00 0.00 175.17 177.31 1c15 h ALA 3 N 2.98 1.33 -0.83 2.11 0.00 -2.01 -2.63 119.26 120.20 1c15 h ALA 3 Ca -0.32 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1c15 h ALA 3 Cb 1.21 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1c15 h ALA 3 CO 0.44 0.12 0.53 -0.22 0.00 0.00 0.00 179.25 180.12 1c15 h LYS 4 N 0.00 1.01 -0.91 0.00 3.64 -1.95 -1.95 116.57 116.41 1c15 h LYS 4 Ca -0.00 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1c15 h LYS 4 Cb 0.26 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1c15 h LYS 4 CO 0.01 0.67 0.60 0.00 -2.27 0.00 0.00 179.45 178.46 1c15 h ALA 5 N 1.34 1.16 -0.71 5.00 0.00 -1.63 -0.65 119.26 123.77 1c15 h ALA 5 Ca 0.33 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1c15 h ALA 5 Cb -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1c15 h ALA 5 CO -0.11 0.56 0.20 -0.09 0.00 0.00 0.00 179.25 179.81 1c15 h ARG 6 N 1.24 1.11 0.00 0.00 2.43 -1.47 -2.31 114.38 115.38 1c15 h ARG 6 Ca 0.33 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1c15 h ARG 6 Cb -0.13 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 1c15 h ARG 6 CO -0.07 0.96 -0.41 -0.91 -1.51 0.00 0.00 179.97 178.03 1c15 h ASN 7 N 1.06 0.00 0.86 -3.80 4.21 -0.76 -3.11 115.58 114.04 1c15 h ASN 7 Ca 0.23 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.70 1c15 h ASN 7 Cb 0.33 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.54 1c15 h ASN 7 CO -0.00 0.41 -0.41 0.00 -1.29 0.00 0.00 177.43 176.13 1c15 h LEU 9 N -1.26 0.48 0.00 0.00 7.12 -1.57 0.65 115.31 120.72 1c15 h LEU 9 Ca -0.12 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 57.90 1c15 h LEU 9 Cb 0.89 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.97 1c15 h LEU 9 CO 0.19 0.20 -0.22 -0.07 -0.13 0.00 0.00 178.44 178.41 1c15 h LEU 10 N 0.49 0.00 -3.18 2.25 3.38 -1.42 -3.28 115.31 113.55 1c15 h LEU 10 Ca 0.47 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.38 1c15 h LEU 10 Cb 1.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1c15 h LEU 10 CO -0.19 0.15 -0.11 1.67 0.09 0.00 0.00 178.44 180.05 1c15 n GLN 11 N -3.11 1.94 -1.65 1.13 7.27 0.19 -4.60 117.38 118.55 1c15 n GLN 11 Ca 0.03 -2.96 -0.02 0.00 0.07 0.00 0.00 57.00 54.13 1c15 n GLN 11 Cb 0.59 -1.71 0.08 0.00 2.41 0.00 0.00 30.24 31.61 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 -1.04 0.79 0.21 3.69 -0.00 0.19 -4.80 115.22 114.25 1c15 n HIS 12 Ca 0.23 -1.45 0.08 0.00 0.46 0.00 0.00 57.72 57.04 1c15 n HIS 12 Cb 0.84 -0.23 0.41 0.00 -0.12 0.00 0.00 29.99 30.89 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 1.58 0.00 -0.53 1.57 2.43 -1.81 -2.98 114.38 114.64 1c15 h ARG 13 Ca -0.04 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1c15 h ARG 13 Cb 1.45 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.97 1c15 h ARG 13 CO 0.21 0.29 0.35 1.49 -1.51 0.00 0.00 179.97 180.80 1c15 h GLU 14 N 0.00 0.50 0.07 0.20 4.81 -1.97 0.22 114.58 118.41 1c15 h GLU 14 Ca -0.00 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1c15 h GLU 14 Cb 0.79 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 30.07 1c15 h GLU 14 CO 0.04 0.33 -0.69 0.00 -0.73 0.00 0.00 179.01 177.96 1c15 h ALA 15 N 1.71 -0.01 -0.59 2.92 0.00 -1.92 -3.20 119.26 118.17 1c15 h ALA 15 Ca 0.22 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1c15 h ALA 15 Cb 0.24 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1c15 h ALA 15 CO -0.06 0.35 0.05 1.25 0.00 0.00 0.00 179.25 180.84 1c15 h LEU 16 N -0.26 0.94 -0.76 0.00 5.85 -1.46 0.45 115.31 120.07 1c15 h LEU 16 Ca -0.11 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.45 1c15 h LEU 16 Cb 1.46 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 1c15 h LEU 16 CO 0.13 0.97 0.44 -0.08 -0.34 0.00 0.00 178.44 179.56 1c15 h GLU 17 N 0.91 0.77 0.00 1.25 4.81 -0.66 0.47 114.58 122.13 1c15 h GLU 17 Ca 0.18 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1c15 h GLU 17 Cb 0.46 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1c15 h GLU 17 CO 0.02 0.51 -0.58 -0.22 -0.73 0.00 0.00 179.01 178.01 1c15 h LYS 18 N 0.80 0.00 0.00 1.92 3.64 -1.49 -3.38 116.57 118.05 1c15 h LYS 18 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1c15 h LYS 18 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1c15 h LYS 18 CO -0.19 0.39 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.91 1c15 h ASP 19 N 0.00 0.00 -3.46 4.20 3.32 0.15 -3.49 116.42 117.14 1c15 h ASP 19 Ca -0.02 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.61 1c15 h ASP 19 Cb 1.35 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.76 1c15 h ASP 19 CO 0.05 0.27 -0.69 -0.63 -1.72 0.00 0.00 179.24 176.53 1c15 s ILE 20 N -1.32 1.39 0.01 0.35 1.01 0.15 -5.06 121.20 117.73 1c15 s ILE 20 Ca -0.01 -2.10 0.06 0.00 0.00 0.00 0.00 60.65 58.60 1c15 s ILE 20 Cb 0.00 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 1c15 s ILE 20 CO 0.01 -0.45 -0.19 -0.54 0.00 0.00 0.00 174.94 173.77 1c15 s LYS 21 N -3.75 1.43 -0.20 2.79 1.02 -1.26 -4.04 119.74 115.72 1c15 s LYS 21 Ca 0.25 -0.79 -0.06 0.00 0.02 0.00 0.00 55.97 55.40 1c15 s LYS 21 Cb 0.03 -1.45 -0.05 0.00 -0.52 0.00 0.00 37.83 35.84 1c15 s LYS 21 CO 0.08 0.38 0.53 0.25 -0.92 0.00 0.00 175.35 175.67 1c15 n THR 22 N 2.25 0.00 -3.61 2.17 -2.24 -1.26 -4.78 114.28 106.81 1c15 n THR 22 Ca -0.16 -0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.54 1c15 n THR 22 Cb 0.53 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1c15 n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1c15 n SER 23 N 1.96 -1.16 -0.30 3.42 7.64 -1.26 -4.98 113.62 118.94 1c15 n SER 23 Ca 0.13 -2.01 0.26 0.00 1.01 0.00 0.00 58.87 58.26 1c15 n SER 23 Cb 0.01 2.00 0.44 0.00 -1.01 0.00 0.00 64.21 65.64 1c15 n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c15 n TYR 24 N -0.33 0.49 0.14 1.43 9.36 -1.26 -0.68 117.16 126.31 1c15 n TYR 24 Ca -0.03 0.50 -0.09 0.00 3.32 0.00 0.00 57.90 61.60 1c15 n TYR 24 Cb 0.35 -0.89 -0.05 0.00 -0.63 0.00 0.00 39.34 38.12 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 -0.02 2.97 1.08 -1.95 0.40 117.51 119.99 1c15 h ILE 25 Ca 0.58 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.83 1c15 h ILE 25 Cb 1.82 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1c15 h ILE 25 CO -0.33 0.00 -0.90 0.24 -0.69 0.00 0.00 178.15 176.47 1c15 h MET 26 N -0.48 0.43 -0.09 2.37 2.86 -1.31 -3.21 114.93 115.50 1c15 h MET 26 Ca -0.03 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1c15 h MET 26 Cb 0.42 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1c15 h MET 26 CO -0.04 1.09 0.05 0.22 1.06 0.00 0.00 176.91 179.29 1c15 h ASP 27 N 0.25 0.12 -0.97 1.22 3.58 -0.87 -2.54 116.42 117.21 1c15 h ASP 27 Ca -0.07 -0.11 0.09 0.00 0.42 0.00 0.00 57.03 57.36 1c15 h ASP 27 Cb 1.53 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 42.47 1c15 h ASP 27 CO 0.16 0.19 0.61 -0.74 -2.88 0.00 0.00 179.24 176.58 1c15 h HIS 28 N 0.03 1.12 0.03 0.28 2.76 -0.28 -2.16 115.15 116.92 1c15 h HIS 28 Ca 0.03 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1c15 h HIS 28 Cb 0.11 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.71 1c15 h HIS 28 CO -0.04 0.50 -0.01 0.52 -1.30 0.00 0.00 177.93 177.61 1c15 h MET 29 N 1.03 -0.03 -0.06 5.26 2.86 -1.50 0.45 114.93 122.94 1c15 h MET 29 Ca 0.45 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 58.11 1c15 h MET 29 Cb 0.33 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1c15 h MET 29 CO -0.22 0.04 0.06 0.82 1.06 0.00 0.00 176.91 178.68 1c15 h ILE 30 N -0.10 0.52 0.00 -1.22 2.04 -1.02 -0.93 117.51 116.80 1c15 h ILE 30 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1c15 h ILE 30 Cb 0.09 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1c15 h ILE 30 CO 0.01 0.00 -1.24 -1.20 0.00 0.00 0.00 178.15 175.72 1c15 n SER 31 N -3.85 0.57 0.00 1.72 7.64 -0.80 -2.98 113.62 115.92 1c15 n SER 31 Ca -0.02 -0.36 0.12 0.00 1.01 0.00 0.00 58.87 59.62 1c15 n SER 31 Cb 0.16 1.12 0.64 0.00 -1.01 0.00 0.00 64.21 65.11 1c15 n SER 31 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1c15 n ASP 32 N -1.92 0.00 0.00 6.43 2.03 0.15 -4.76 116.55 118.48 1c15 n ASP 32 Ca 0.01 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.95 1c15 n ASP 32 Cb 0.44 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1c15 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c15 n GLY 33 N 0.57 1.15 0.00 0.27 0.00 -1.23 -5.06 105.19 100.90 1c15 n GLY 33 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.96 1.61 3.01 -1.14 -4.96 117.46 112.02 1c15 n PHE 34 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 1c15 n PHE 34 Cb 0.00 -0.47 -0.05 0.00 -0.01 0.00 0.00 39.48 38.95 1c15 n PHE 34 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1c15 s LEU 35 N -3.91 3.45 0.87 4.37 2.01 -1.16 -4.99 118.68 119.32 1c15 s LEU 35 Ca 0.00 -0.60 -0.11 0.00 0.01 0.00 0.00 54.13 53.42 1c15 s LEU 35 Cb 0.00 -2.00 0.12 0.00 0.01 0.00 0.00 46.19 44.32 1c15 s LEU 35 CO 0.00 -0.30 1.16 0.42 1.01 0.00 0.00 176.35 178.64 1c15 s THR 36 N -2.35 2.11 0.18 5.49 -4.23 -1.26 -4.59 115.64 110.99 1c15 s THR 36 Ca 0.39 0.04 0.13 0.00 -1.18 0.00 0.00 61.69 61.07 1c15 s THR 36 Cb -0.05 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.61 1c15 s THR 36 CO 0.25 -0.04 1.60 0.40 -0.54 0.00 0.00 174.62 176.28 1c15 h ILE 37 N -1.52 1.22 -0.02 2.99 1.08 -1.98 -3.05 117.51 116.23 1c15 h ILE 37 Ca -0.44 -2.07 0.00 0.00 -0.39 0.00 0.00 64.86 61.96 1c15 h ILE 37 Cb 1.28 2.18 -0.00 0.00 -3.07 0.00 0.00 36.82 37.20 1c15 h ILE 37 CO 0.43 0.56 0.02 0.28 -0.69 0.00 0.00 178.15 178.75 1c15 h SER 38 N 0.00 0.02 0.68 1.72 0.02 -1.98 -0.73 113.55 113.28 1c15 h SER 38 Ca -0.01 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1c15 h SER 38 Cb 1.13 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1c15 h SER 38 CO 0.07 0.02 -0.35 -0.08 -1.14 0.00 0.00 176.83 175.35 1c15 h GLU 39 N 0.03 0.00 -0.25 3.45 4.81 -1.90 -2.93 114.58 117.79 1c15 h GLU 39 Ca 0.01 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1c15 h GLU 39 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1c15 h GLU 39 CO -0.00 0.35 -0.32 1.49 -0.73 0.00 0.00 179.01 179.80 1c15 h GLU 40 N 0.00 0.52 -0.02 1.92 4.81 -1.25 -2.78 114.58 117.77 1c15 h GLU 40 Ca -0.00 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 58.89 1c15 h GLU 40 Cb 0.79 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1c15 h GLU 40 CO 0.05 0.78 -0.49 1.49 -0.73 0.00 0.00 179.01 180.11 1c15 h GLU 41 N 0.44 0.06 0.44 1.92 4.81 -1.50 -2.99 114.58 117.77 1c15 h GLU 41 Ca 0.05 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1c15 h GLU 41 Cb 0.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1c15 h GLU 41 CO 0.06 0.54 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.45 1c15 h LYS 42 N 0.05 -0.57 -1.19 1.92 3.64 -1.46 -3.09 116.57 115.87 1c15 h LYS 42 Ca -0.00 0.04 0.34 0.00 -1.27 0.00 0.00 60.65 59.76 1c15 h LYS 42 Cb 0.88 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.75 1c15 h LYS 42 CO 0.07 -0.38 0.80 0.28 -2.27 0.00 0.00 179.45 177.95 1c15 h VAL 43 N -0.81 0.39 -0.75 2.00 2.07 -1.60 1.01 116.25 118.56 1c15 h VAL 43 Ca -0.06 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.57 1c15 h VAL 43 Cb 0.46 0.20 -0.13 0.00 -1.52 0.00 0.00 31.29 30.30 1c15 h VAL 43 CO 0.10 0.03 0.02 -0.09 0.02 0.00 0.00 177.57 177.65 1c15 h ARG 44 N 0.17 0.11 0.00 1.57 2.43 -1.43 -3.32 114.38 113.91 1c15 h ARG 44 Ca 0.63 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1c15 h ARG 44 Cb 2.08 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 1c15 h ARG 44 CO -0.19 0.07 -0.15 -1.71 -1.51 0.00 0.00 179.97 176.48 1c15 n ASN 45 N -5.34 0.00 -0.02 -3.80 2.85 -0.45 -4.91 115.26 103.59 1c15 n ASN 45 Ca 0.14 -1.30 -0.17 0.00 -0.11 0.00 0.00 54.58 53.14 1c15 n ASN 45 Cb 0.47 -0.06 -0.14 0.00 1.24 0.00 0.00 39.78 41.30 1c15 n ASN 45 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1c15 h GLU 46 N 0.00 0.13 -7.53 1.20 4.57 0.90 -3.46 114.58 110.39 1c15 h GLU 46 Ca 0.00 -0.22 -0.46 0.00 -1.18 0.00 0.00 59.36 57.50 1c15 h GLU 46 Cb 1.12 0.08 0.12 0.00 -0.16 0.00 0.00 28.75 29.91 1c15 h GLU 46 CO 0.00 1.10 0.33 -1.25 -1.18 0.00 0.00 179.01 178.02 1c15 s PRO 47 N -2.32 1.39 0.00 0.92 0.04 -1.26 -5.01 135.00 128.76 1c15 s PRO 47 Ca -0.17 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.11 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 0.74 -2.01 0.00 2.41 0.04 0.00 0.00 177.00 178.18 1c15 n THR 48 N -3.63 0.00 -0.50 1.26 -1.04 -1.26 -4.99 114.28 104.12 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 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 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 -2.18 1.45 0.00 -2.82 1.13 -1.26 -4.90 117.38 108.80 1c15 n GLN 49 Ca 0.00 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.15 1c15 n GLN 49 Cb 0.00 0.00 0.44 0.00 0.11 0.00 0.00 30.24 30.79 1c15 n GLN 49 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1c15 n GLN 50 N -0.02 0.15 0.24 -1.09 7.27 -1.26 -3.03 117.38 119.63 1c15 n GLN 50 Ca 0.00 0.14 0.16 0.00 0.07 0.00 0.00 57.00 57.37 1c15 n GLN 50 Cb 0.00 -1.50 0.84 0.00 2.41 0.00 0.00 30.24 31.99 1c15 n GLN 50 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1c15 h GLN 51 N 0.00 0.00 0.01 3.69 4.15 -1.99 -3.10 115.11 117.87 1c15 h GLN 51 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1c15 h GLN 51 Cb 0.23 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.87 1c15 h GLN 51 CO 0.00 0.00 -0.52 -0.09 -1.93 0.00 0.00 178.83 176.29 1c15 h ARG 52 N 0.00 -0.65 -0.12 1.69 2.43 -1.90 0.14 114.38 115.97 1c15 h ARG 52 Ca 0.00 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1c15 h ARG 52 Cb 0.06 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1c15 h ARG 52 CO 0.00 -0.43 0.00 0.00 -1.51 0.00 0.00 179.97 178.03 1c15 h ALA 53 N -0.38 0.16 -1.05 2.80 0.00 -1.85 -2.56 119.26 116.39 1c15 h ALA 53 Ca 0.02 -0.18 0.28 0.00 0.00 0.00 0.00 54.91 55.02 1c15 h ALA 53 Cb 0.72 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1c15 h ALA 53 CO -0.35 -0.15 0.70 0.00 0.00 0.00 0.00 179.25 179.46 1c15 h ALA 54 N 0.75 2.51 0.00 0.00 0.00 -1.53 0.75 119.26 121.74 1c15 h ALA 54 Ca 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1c15 h ALA 54 Cb 0.35 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1c15 h ALA 54 CO 0.01 -0.87 -0.50 1.98 0.00 0.00 0.00 179.25 179.86 1c15 h MET 55 N 0.26 0.00 0.02 0.00 -1.53 -0.46 -3.17 114.93 110.04 1c15 h MET 55 Ca 0.56 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.79 1c15 h MET 55 Cb 1.68 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.73 1c15 h MET 55 CO -0.19 0.50 -0.11 1.25 0.14 0.00 0.00 176.91 178.50 1c15 h LEU 56 N 0.00 0.07 -1.91 3.39 5.85 0.82 -2.83 115.31 120.70 1c15 h LEU 56 Ca -0.01 -0.95 0.09 0.00 0.84 0.00 0.00 57.88 57.85 1c15 h LEU 56 Cb 1.36 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1c15 h LEU 56 CO 0.07 1.02 0.27 0.40 -0.34 0.00 0.00 178.44 179.85 1c15 h ILE 57 N -0.86 0.86 -0.03 4.05 5.03 -1.12 -1.77 117.51 123.67 1c15 h ILE 57 Ca -0.02 -0.04 -0.17 0.00 -0.12 0.00 0.00 64.86 64.52 1c15 h ILE 57 Cb 1.05 0.75 0.01 0.00 -3.03 0.00 0.00 36.82 35.60 1c15 h ILE 57 CO 0.02 0.02 -0.64 0.11 -0.68 0.00 0.00 178.15 176.98 1c15 h LYS 58 N 0.10 0.49 -0.24 2.37 1.57 -1.61 -3.16 116.57 116.10 1c15 h LYS 58 Ca 0.18 -0.49 0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1c15 h LYS 58 Cb 0.58 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1c15 h LYS 58 CO -0.02 1.13 0.16 0.52 -0.57 0.00 0.00 179.45 180.67 1c15 h MET 59 N 0.04 0.12 0.48 3.15 2.86 -1.07 0.46 114.93 120.97 1c15 h MET 59 Ca -0.07 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1c15 h MET 59 Cb 1.33 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1c15 h MET 59 CO 0.13 0.08 -0.23 0.82 1.06 0.00 0.00 176.91 178.76 1c15 h ILE 60 N 0.12 0.27 -0.44 -1.22 2.04 -1.44 -2.87 117.51 113.97 1c15 h ILE 60 Ca 0.11 -0.52 -0.14 0.00 1.00 0.00 0.00 64.86 65.31 1c15 h ILE 60 Cb 0.27 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1c15 h ILE 60 CO -0.01 0.05 -0.26 -0.07 0.00 0.00 0.00 178.15 177.86 1c15 h LEU 61 N -1.06 0.99 -2.17 1.44 -0.00 -1.48 -2.81 115.31 110.23 1c15 h LEU 61 Ca -0.07 -0.42 0.06 0.00 -0.00 0.00 0.00 57.88 57.46 1c15 h LEU 61 Cb 0.58 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 1c15 h LEU 61 CO 0.11 1.19 0.27 0.11 -0.00 0.00 0.00 178.44 180.12 1c15 h LYS 62 N 0.80 0.00 0.34 1.13 1.79 -0.16 -2.84 116.57 117.63 1c15 h LYS 62 Ca 0.09 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 1c15 h LYS 62 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1c15 h LYS 62 CO 0.07 0.00 -0.16 -0.22 -1.08 0.00 0.00 179.45 178.06 1c15 h LYS 63 N 0.00 -0.44 -2.99 3.15 3.11 -1.25 -3.49 116.57 114.66 1c15 h LYS 63 Ca 0.10 0.03 0.05 0.00 -2.81 0.00 0.00 60.65 58.03 1c15 h LYS 63 Cb 0.64 0.10 -0.06 0.00 -1.00 0.00 0.00 32.23 31.91 1c15 h LYS 63 CO -0.00 -0.29 0.23 0.34 -2.81 0.00 0.00 179.45 176.91 1c15 s ASP 64 N -3.80 -0.32 0.11 4.20 2.15 -1.07 -5.05 116.67 112.88 1c15 s ASP 64 Ca -0.07 -0.48 -0.06 0.00 0.43 0.00 0.00 52.55 52.37 1c15 s ASP 64 Cb 0.01 0.70 -0.15 0.00 -0.30 0.00 0.00 42.92 43.18 1c15 s ASP 64 CO 0.20 -1.27 1.25 0.78 -0.17 0.00 0.00 175.17 175.96 1c15 h ASN 65 N 2.00 0.59 0.08 -0.34 4.21 -1.92 -3.17 115.58 117.03 1c15 h ASN 65 Ca -0.22 -0.50 -0.01 0.00 1.21 0.00 0.00 56.30 56.78 1c15 h ASN 65 Cb 1.26 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 38.28 1c15 h ASN 65 CO 0.26 1.31 -0.06 0.44 -1.29 0.00 0.00 177.43 178.09 1c15 h ASP 66 N 0.23 0.00 -0.15 5.81 5.19 -1.96 -2.58 116.42 122.95 1c15 h ASP 66 Ca -0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1c15 h ASP 66 Cb 1.67 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.17 1c15 h ASP 66 CO 0.18 0.06 0.09 -1.28 -3.12 0.00 0.00 179.24 175.17 1c15 h SER 67 N 0.00 0.16 -0.41 6.45 0.87 -1.87 -1.82 113.55 116.92 1c15 h SER 67 Ca -0.00 -0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1c15 h SER 67 Cb 0.11 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1c15 h SER 67 CO 0.01 0.12 0.28 0.22 -0.53 0.00 0.00 176.83 176.92 1c15 h TYR 68 N 0.19 0.29 -0.24 2.24 3.20 -1.59 -1.30 116.97 119.76 1c15 h TYR 68 Ca 0.06 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1c15 h TYR 68 Cb -0.01 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 1c15 h TYR 68 CO -0.07 0.15 -0.21 0.28 -1.64 0.00 0.00 178.16 176.67 1c15 h VAL 69 N 0.28 1.32 -0.18 1.81 2.07 -1.35 -3.03 116.25 117.18 1c15 h VAL 69 Ca 0.18 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 1c15 h VAL 69 Cb 0.36 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1c15 h VAL 69 CO -0.04 0.43 -0.18 -1.28 0.02 0.00 0.00 177.57 176.52 1c15 h SER 70 N 0.27 0.29 -0.89 0.57 0.87 -0.64 -2.70 113.55 111.31 1c15 h SER 70 Ca 0.04 -0.07 0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1c15 h SER 70 Cb 0.76 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.57 1c15 h SER 70 CO 0.05 0.49 0.53 0.15 -0.53 0.00 0.00 176.83 177.53 1c15 h PHE 71 N 0.28 0.98 -0.56 2.24 3.04 -1.15 0.25 116.94 122.01 1c15 h PHE 71 Ca 0.05 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.01 1c15 h PHE 71 Cb 0.49 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 1c15 h PHE 71 CO 0.01 0.43 0.25 -0.92 -2.02 0.00 0.00 178.31 176.06 1c15 h TYR 72 N 0.91 0.83 0.00 0.41 3.20 -1.48 -2.26 116.97 118.58 1c15 h TYR 72 Ca 0.42 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 62.18 1c15 h TYR 72 Cb 0.33 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1c15 h TYR 72 CO -0.04 0.65 -0.25 -0.97 -1.64 0.00 0.00 178.16 175.91 1c15 h ASN 73 N 0.77 0.00 0.14 -2.11 -1.24 -1.30 -2.85 115.58 109.00 1c15 h ASN 73 Ca 0.19 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 1c15 h ASN 73 Cb 0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1c15 h ASN 73 CO -0.02 0.25 -0.07 0.00 -1.29 0.00 0.00 177.43 176.30 1c15 h ALA 74 N 1.75 -0.19 -0.72 1.57 0.00 -0.40 -2.60 119.26 118.66 1c15 h ALA 74 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1c15 h ALA 74 Cb 0.72 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1c15 h ALA 74 CO 0.03 -0.41 0.30 -0.07 0.00 0.00 0.00 179.25 179.10 1c15 h LEU 75 N -0.59 0.96 -1.02 0.00 3.38 -1.50 -1.46 115.31 115.09 1c15 h LEU 75 Ca -0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1c15 h LEU 75 Cb 0.45 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1c15 h LEU 75 CO 0.03 0.84 0.00 -0.07 0.09 0.00 0.00 178.44 179.33 1c15 h LEU 76 N 1.03 0.00 -2.40 1.67 3.38 -1.48 -2.60 115.31 114.91 1c15 h LEU 76 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1c15 h LEU 76 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1c15 h LEU 76 CO -0.02 0.00 -0.03 -0.74 0.09 0.00 0.00 178.44 177.73 1c15 h HIS 77 N 0.00 0.00 0.00 1.13 2.76 -0.85 -3.37 115.15 114.82 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 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1c15 h HIS 77 CO 0.00 0.03 0.00 0.39 -1.30 0.00 0.00 177.93 177.05 1c15 n GLU 78 N -3.47 0.00 -1.45 5.26 4.71 -1.00 -5.03 120.64 119.66 1c15 n GLU 78 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.12 1c15 n GLU 78 Cb 0.14 -0.14 0.02 0.00 -1.01 0.00 0.00 31.44 30.45 1c15 n GLU 78 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1c15 n GLY 79 N 2.77 -0.18 1.22 0.62 0.00 -1.22 -4.98 105.19 103.43 1c15 n GLY 79 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.29 1.10 -0.58 1.61 4.02 -1.11 -4.50 117.16 117.40 1c15 n TYR 80 Ca -0.06 -0.42 0.47 0.00 -0.01 0.00 0.00 57.90 57.88 1c15 n TYR 80 Cb 0.53 -0.24 0.78 0.00 -0.02 0.00 0.00 39.34 40.40 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 2.68 0.01 0.02 -0.72 3.64 -1.89 1.04 116.57 121.35 1c15 h LYS 81 Ca 0.00 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1c15 h LYS 81 Cb 1.17 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1c15 h LYS 81 CO 0.21 0.01 -0.16 -0.44 -2.27 0.00 0.00 179.45 176.80 1c15 h ASP 82 N 0.01 0.10 -0.03 4.20 3.32 -1.99 -2.48 116.42 119.55 1c15 h ASP 82 Ca 0.83 -0.93 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1c15 h ASP 82 Cb 3.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 42.76 1c15 h ASP 82 CO -0.06 1.02 -0.10 0.25 -1.72 0.00 0.00 179.24 178.63 1c15 h LEU 83 N -0.81 0.14 -1.53 1.55 7.12 -0.78 -3.16 115.31 117.83 1c15 h LEU 83 Ca -0.03 -0.63 0.02 0.00 0.13 0.00 0.00 57.88 57.37 1c15 h LEU 83 Cb 1.07 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 41.13 1c15 h LEU 83 CO 0.03 0.74 0.33 0.00 -0.13 0.00 0.00 178.44 179.42 1c15 h ALA 84 N 0.40 1.70 -0.60 1.25 0.00 0.74 -1.56 119.26 121.18 1c15 h ALA 84 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1c15 h ALA 84 Cb 0.73 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1c15 h ALA 84 CO 0.02 0.27 0.38 0.00 0.00 0.00 0.00 179.25 179.92 1c15 h ALA 85 N 1.70 1.54 -0.86 0.00 0.00 -1.43 -1.48 119.26 118.72 1c15 h ALA 85 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1c15 h ALA 85 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1c15 h ALA 85 CO -0.05 0.42 0.45 1.25 0.00 0.00 0.00 179.25 181.32 1c15 h LEU 86 N 0.83 1.10 -0.50 0.00 5.85 -1.25 0.58 115.31 121.91 1c15 h LEU 86 Ca 0.22 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 1c15 h LEU 86 Cb -0.07 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 1c15 h LEU 86 CO -0.04 0.90 -0.75 -0.07 -0.34 0.00 0.00 178.44 178.13 1c15 h LEU 87 N 1.21 0.00 0.00 2.25 3.38 -1.39 -2.73 115.31 118.04 1c15 h LEU 87 Ca 0.30 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 1c15 h LEU 87 Cb 0.06 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1c15 h LEU 87 CO -0.04 0.75 -1.09 -0.74 0.09 0.00 0.00 178.44 177.40 1c15 h HIS 88 N 0.00 0.00 0.00 1.13 2.76 -0.81 -3.27 115.15 114.96 1c15 h HIS 88 Ca -0.01 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1c15 h HIS 88 Cb 1.32 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.27 1c15 h HIS 88 CO 0.00 0.70 -0.32 -0.44 -1.30 0.00 0.00 177.93 176.58 1c15 h ASP 89 N 0.00 0.00 1.47 3.26 5.19 0.16 -3.21 116.42 123.29 1c15 h ASP 89 Ca -0.10 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.20 1c15 h ASP 89 Cb 1.62 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.12 1c15 h ASP 89 CO 0.07 0.32 -0.53 1.23 -3.12 0.00 0.00 179.24 177.21 1c15 h GLY 90 N 3.63 0.00 0.98 2.75 0.00 -1.57 -3.21 103.07 105.65 1c15 h GLY 90 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1c15 h GLY 90 CO 0.04 0.00 -0.30 -2.22 0.00 0.00 0.00 176.54 174.06 1c15 h ILE 91 N 0.00 0.38 0.00 2.60 2.04 -1.60 -3.38 117.51 117.56 1c15 h ILE 91 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1c15 h ILE 91 Cb 1.39 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1c15 h ILE 91 CO 0.06 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.40 1c15 n PRO 92 N -5.45 0.00 -1.27 2.37 -0.04 -1.25 -4.20 135.00 125.16 1c15 n PRO 92 Ca -0.13 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.04 1c15 n PRO 92 Cb 0.34 -0.66 0.14 0.00 -0.04 0.00 0.00 33.50 33.28 1c15 n PRO 92 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1c15 s VAL 93 N -0.40 2.49 -0.21 0.52 1.01 -1.21 -4.99 120.40 117.61 1c15 s VAL 93 Ca 0.00 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 1c15 s VAL 93 Cb 0.00 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.59 1c15 s VAL 93 CO 0.00 -0.21 -0.34 0.52 0.00 0.00 0.00 175.10 175.07 1c15 n VAL 94 N -3.90 1.51 0.00 2.92 0.31 -1.26 -4.43 118.33 113.49 1c15 n VAL 94 Ca 0.06 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1c15 n VAL 94 Cb 0.56 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 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 -4.39 0.03 0.04 4.52 2.88 -1.26 -4.92 113.62 110.52 1c15 n SER 95 Ca -0.28 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1c15 n SER 95 Cb 0.64 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 -2.53 0.16 -0.66 -3.46 2.88 -1.26 -5.09 113.62 103.65 1c15 n SER 96 Ca 0.00 0.13 0.13 0.00 -1.33 0.00 0.00 58.87 57.81 1c15 n SER 96 Cb 0.00 0.03 0.37 0.00 -0.75 0.00 0.00 64.21 63.86 1c15 n SER 96 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27