#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 3.21 0.36 6.12 -4.77 -1.26 -4.99 116.67 115.34 1c15 s ASP 2 Ca 0.00 -1.02 0.19 0.00 -3.30 0.00 0.00 52.55 48.42 1c15 s ASP 2 Cb 0.00 -0.66 0.50 0.00 -1.09 0.00 0.00 42.92 41.66 1c15 s ASP 2 CO 0.00 -0.33 1.64 0.00 0.70 0.00 0.00 175.17 177.18 1c15 h ALA 3 N 8.21 0.87 -0.73 2.11 0.00 -1.98 -3.19 119.26 124.55 1c15 h ALA 3 Ca -0.16 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 54.54 1c15 h ALA 3 Cb 1.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1c15 h ALA 3 CO 0.37 0.47 0.49 -0.22 0.00 0.00 0.00 179.25 180.36 1c15 h LYS 4 N 0.00 0.47 -0.77 0.00 3.64 -1.93 -0.36 116.57 117.63 1c15 h LYS 4 Ca -0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1c15 h LYS 4 Cb 1.05 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 1c15 h LYS 4 CO 0.05 0.31 0.34 0.00 -2.27 0.00 0.00 179.45 177.88 1c15 h ALA 5 N 1.65 1.16 -0.02 5.00 0.00 -1.64 -1.73 119.26 123.68 1c15 h ALA 5 Ca 0.35 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1c15 h ALA 5 Cb 0.71 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1c15 h ALA 5 CO -0.12 0.62 -0.18 -0.09 0.00 0.00 0.00 179.25 179.49 1c15 h ARG 6 N 1.10 0.03 -0.14 0.00 2.43 -1.24 -2.36 114.38 114.20 1c15 h ARG 6 Ca 0.26 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.23 1c15 h ARG 6 Cb 0.15 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1c15 h ARG 6 CO -0.03 0.21 -0.69 -0.91 -1.51 0.00 0.00 179.97 177.04 1c15 h ASN 7 N 0.03 0.69 0.02 -3.80 2.35 -1.14 -2.68 115.58 111.04 1c15 h ASN 7 Ca 0.00 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1c15 h ASN 7 Cb 0.33 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1c15 h ASN 7 CO 0.02 1.19 -0.01 0.00 -1.65 0.00 0.00 177.43 176.98 1c15 h LEU 9 N -0.18 0.76 -1.11 0.00 7.12 -1.53 -1.15 115.31 119.22 1c15 h LEU 9 Ca -0.00 -0.03 -0.09 0.00 0.13 0.00 0.00 57.88 57.89 1c15 h LEU 9 Cb 0.18 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.10 1c15 h LEU 9 CO 0.00 0.56 -0.39 -0.07 -0.13 0.00 0.00 178.44 178.41 1c15 h LEU 10 N 0.89 0.11 -3.35 2.25 3.38 -1.19 -2.54 115.31 114.87 1c15 h LEU 10 Ca 0.24 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1c15 h LEU 10 Cb -0.09 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 1c15 h LEU 10 CO -0.05 0.49 0.16 1.67 0.09 0.00 0.00 178.44 180.81 1c15 n GLN 11 N -4.06 3.70 -0.71 1.13 7.27 -0.49 -4.23 117.38 119.99 1c15 n GLN 11 Ca -0.02 -2.67 0.02 0.00 0.07 0.00 0.00 57.00 54.40 1c15 n GLN 11 Cb 0.44 -2.12 0.27 0.00 2.41 0.00 0.00 30.24 31.24 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 0.12 1.46 -0.05 3.69 -0.00 -0.83 -4.62 115.22 114.99 1c15 n HIS 12 Ca 0.32 -1.12 -0.12 0.00 0.46 0.00 0.00 57.72 57.25 1c15 n HIS 12 Cb 1.20 -0.47 -0.07 0.00 -0.12 0.00 0.00 29.99 30.53 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 1.96 0.26 -0.49 1.57 2.43 -1.78 0.34 114.38 118.67 1c15 h ARG 13 Ca 0.12 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1c15 h ARG 13 Cb 1.77 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.29 1c15 h ARG 13 CO 0.42 0.57 0.22 1.49 -1.51 0.00 0.00 179.97 181.17 1c15 h GLU 14 N -0.08 0.68 0.11 0.20 4.81 -1.95 -0.90 114.58 117.47 1c15 h GLU 14 Ca 0.03 -0.08 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 1c15 h GLU 14 Cb 0.49 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.76 1c15 h GLU 14 CO 0.02 0.54 -0.83 0.00 -0.73 0.00 0.00 179.01 178.00 1c15 h ALA 15 N 1.57 -0.05 -0.01 2.92 0.00 -1.84 -2.81 119.26 119.04 1c15 h ALA 15 Ca 0.17 -0.68 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1c15 h ALA 15 Cb 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1c15 h ALA 15 CO -0.02 0.41 -0.03 1.25 0.00 0.00 0.00 179.25 180.86 1c15 h LEU 16 N -0.23 -0.08 0.34 0.00 7.12 -0.11 0.36 115.31 122.70 1c15 h LEU 16 Ca -0.14 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 57.88 1c15 h LEU 16 Cb 1.61 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.78 1c15 h LEU 16 CO 0.16 -0.04 -0.21 -0.08 -0.13 0.00 0.00 178.44 178.14 1c15 h GLU 17 N -0.05 -0.51 0.00 1.25 4.81 -1.27 0.88 114.58 119.70 1c15 h GLU 17 Ca 0.02 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1c15 h GLU 17 Cb 0.07 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1c15 h GLU 17 CO -0.04 -0.34 -0.07 -0.22 -0.73 0.00 0.00 179.01 177.61 1c15 h LYS 18 N -0.53 0.00 0.00 1.92 3.64 -1.36 -3.27 116.57 116.98 1c15 h LYS 18 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1c15 h LYS 18 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1c15 h LYS 18 CO 0.03 0.07 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.72 1c15 h ASP 19 N 0.00 0.00 -4.48 4.20 3.32 0.48 -3.49 116.42 116.45 1c15 h ASP 19 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1c15 h ASP 19 Cb 0.15 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.46 1c15 h ASP 19 CO 0.01 0.30 -0.75 -0.63 -1.72 0.00 0.00 179.24 176.45 1c15 s ILE 20 N -1.43 0.67 -0.05 0.35 1.01 0.30 -5.07 121.20 116.98 1c15 s ILE 20 Ca -0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1c15 s ILE 20 Cb 0.00 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1c15 s ILE 20 CO 0.05 -0.19 0.02 -0.54 0.00 0.00 0.00 174.94 174.28 1c15 s LYS 21 N -1.21 2.97 -0.21 2.79 1.02 -1.26 -3.84 119.74 120.00 1c15 s LYS 21 Ca -0.05 -0.46 -0.06 0.00 0.02 0.00 0.00 55.97 55.43 1c15 s LYS 21 Cb -0.08 -2.79 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1c15 s LYS 21 CO 0.01 0.68 0.55 0.25 -0.92 0.00 0.00 175.35 175.91 1c15 n THR 22 N 1.80 0.00 -3.73 2.17 -2.24 -1.26 -4.79 114.28 106.24 1c15 n THR 22 Ca -0.17 -0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 1c15 n THR 22 Cb 0.53 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 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 2.03 -0.97 -0.27 3.42 7.64 -1.26 -4.96 113.62 119.25 1c15 n SER 23 Ca 0.14 -2.06 0.24 0.00 1.01 0.00 0.00 58.87 58.21 1c15 n SER 23 Cb 0.01 1.73 0.42 0.00 -1.01 0.00 0.00 64.21 65.36 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 0.56 0.08 1.43 9.36 -1.26 -0.85 117.16 126.15 1c15 n TYR 24 Ca -0.01 0.57 -0.08 0.00 3.32 0.00 0.00 57.90 61.69 1c15 n TYR 24 Cb 0.35 -0.97 -0.05 0.00 -0.63 0.00 0.00 39.34 38.04 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 0.01 2.97 1.08 -1.95 0.10 117.51 119.73 1c15 h ILE 25 Ca 0.57 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 65.03 1c15 h ILE 25 Cb 1.71 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 1c15 h ILE 25 CO -0.37 0.00 -0.01 0.24 -0.69 0.00 0.00 178.15 177.32 1c15 h MET 26 N -0.41 -0.02 -0.57 2.37 2.86 -1.35 -3.23 114.93 114.58 1c15 h MET 26 Ca -0.01 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.74 1c15 h MET 26 Cb 0.38 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.94 1c15 h MET 26 CO -0.10 0.71 -0.22 0.22 1.06 0.00 0.00 176.91 178.58 1c15 h ASP 27 N -0.77 -0.77 -1.00 1.22 3.58 -1.21 0.11 116.42 117.57 1c15 h ASP 27 Ca -0.00 0.19 0.11 0.00 0.42 0.00 0.00 57.03 57.75 1c15 h ASP 27 Cb 0.73 0.44 -0.08 0.00 1.72 0.00 0.00 39.33 42.14 1c15 h ASP 27 CO 0.00 -0.24 0.63 -0.74 -2.88 0.00 0.00 179.24 176.01 1c15 h HIS 28 N -0.08 1.15 -0.12 0.28 2.76 -0.90 -0.41 115.15 117.83 1c15 h HIS 28 Ca 0.26 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.37 1c15 h HIS 28 Cb 0.49 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1c15 h HIS 28 CO -0.53 0.49 -0.36 0.52 -1.30 0.00 0.00 177.93 176.75 1c15 h MET 29 N 1.04 0.26 0.42 5.26 2.86 -0.86 -2.35 114.93 121.55 1c15 h MET 29 Ca 0.48 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.99 1c15 h MET 29 Cb 0.41 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1c15 h MET 29 CO -0.24 0.58 -0.20 0.82 1.06 0.00 0.00 176.91 178.93 1c15 h ILE 30 N 0.22 0.00 0.00 -1.22 1.08 0.32 -2.80 117.51 115.11 1c15 h ILE 30 Ca 0.03 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1c15 h ILE 30 Cb 0.74 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1c15 h ILE 30 CO 0.06 0.00 0.00 0.28 -0.69 0.00 0.00 178.15 177.80 1c15 h SER 31 N -0.61 0.00 -0.08 1.72 0.02 -1.57 -1.87 113.55 111.15 1c15 h SER 31 Ca -0.06 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1c15 h SER 31 Cb 0.43 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1c15 h SER 31 CO 0.09 0.00 0.19 -0.78 -1.14 0.00 0.00 176.83 175.20 1c15 h ASP 32 N 0.00 0.00 0.00 3.07 3.58 -1.13 -3.44 116.42 118.50 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 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 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 -1.26 0.79 0.12 -0.78 0.00 -0.73 -5.04 105.19 98.28 1c15 n GLY 33 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.27 -3.56 1.61 0.04 -1.56 -3.44 116.94 109.75 1c15 h PHE 34 Ca 0.00 -0.01 -0.67 0.00 2.80 0.00 0.00 57.97 60.10 1c15 h PHE 34 Cb 0.00 0.09 -0.16 0.00 2.20 0.00 0.00 35.95 38.08 1c15 h PHE 34 CO 0.00 -0.17 -0.74 -0.51 -0.60 0.00 0.00 178.31 176.29 1c15 s LEU 35 N -5.33 3.01 1.30 1.54 2.01 -1.14 -4.98 118.68 115.09 1c15 s LEU 35 Ca -0.04 -0.41 -0.19 0.00 0.01 0.00 0.00 54.13 53.50 1c15 s LEU 35 Cb 0.00 -1.81 0.33 0.00 0.01 0.00 0.00 46.19 44.72 1c15 s LEU 35 CO 0.13 0.18 0.99 0.42 1.01 0.00 0.00 176.35 179.07 1c15 s THR 36 N -1.22 1.55 -0.61 5.49 -4.23 -1.26 -4.32 115.64 111.04 1c15 s THR 36 Ca 0.21 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.98 1c15 s THR 36 Cb -0.11 -2.13 0.29 0.00 1.34 0.00 0.00 72.50 71.89 1c15 s THR 36 CO 0.13 0.00 1.75 0.40 -0.54 0.00 0.00 174.62 176.37 1c15 h ILE 37 N -3.03 0.00 -0.11 2.99 5.03 -1.97 -3.21 117.51 117.21 1c15 h ILE 37 Ca -0.51 -0.50 -0.02 0.00 -0.12 0.00 0.00 64.86 63.72 1c15 h ILE 37 Cb 1.34 1.45 -0.01 0.00 -3.03 0.00 0.00 36.82 36.57 1c15 h ILE 37 CO 0.38 0.00 -0.02 0.28 -0.68 0.00 0.00 178.15 178.11 1c15 h SER 38 N 0.00 0.14 0.46 1.72 0.02 -2.01 -1.80 113.55 112.08 1c15 h SER 38 Ca 0.00 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1c15 h SER 38 Cb 0.69 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1c15 h SER 38 CO 0.00 0.19 -0.54 -0.08 -1.14 0.00 0.00 176.83 175.26 1c15 h GLU 39 N 0.16 0.09 0.00 3.45 4.81 -1.92 -2.97 114.58 118.21 1c15 h GLU 39 Ca 0.04 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1c15 h GLU 39 Cb 0.14 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1c15 h GLU 39 CO 0.00 0.61 -0.58 1.49 -0.73 0.00 0.00 179.01 179.81 1c15 h GLU 40 N 0.07 0.00 -0.25 1.92 4.22 -1.52 -2.83 114.58 116.20 1c15 h GLU 40 Ca -0.00 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.32 1c15 h GLU 40 Cb 0.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1c15 h GLU 40 CO 0.08 0.58 -0.35 1.49 -2.18 0.00 0.00 179.01 178.63 1c15 h GLU 41 N 0.00 0.55 0.11 1.92 4.81 -1.32 -2.54 114.58 118.12 1c15 h GLU 41 Ca -0.01 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1c15 h GLU 41 Cb 1.21 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1c15 h GLU 41 CO 0.08 0.82 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.90 1c15 h LYS 42 N 0.46 -0.15 -1.17 1.92 3.64 -1.53 -3.30 116.57 116.44 1c15 h LYS 42 Ca 0.05 0.01 0.33 0.00 -1.27 0.00 0.00 60.65 59.77 1c15 h LYS 42 Cb 0.82 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.60 1c15 h LYS 42 CO 0.07 -0.08 0.80 0.28 -2.27 0.00 0.00 179.45 178.25 1c15 h VAL 43 N -1.04 0.40 -0.56 2.00 2.07 -1.60 0.94 116.25 118.47 1c15 h VAL 43 Ca -0.02 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1c15 h VAL 43 Cb 0.14 0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 30.01 1c15 h VAL 43 CO 0.03 0.03 -0.29 -0.09 0.02 0.00 0.00 177.57 177.27 1c15 h ARG 44 N 0.17 -0.14 0.00 1.57 2.43 -1.53 -3.34 114.38 113.54 1c15 h ARG 44 Ca 0.62 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1c15 h ARG 44 Cb 2.04 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1c15 h ARG 44 CO -0.18 -0.09 0.00 -1.71 -1.51 0.00 0.00 179.97 176.48 1c15 n ASN 45 N -5.43 0.16 -0.03 -3.80 5.15 -0.67 -4.87 115.26 105.77 1c15 n ASN 45 Ca 0.04 -1.05 -0.15 0.00 -0.60 0.00 0.00 54.58 52.82 1c15 n ASN 45 Cb 0.35 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.49 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 0.18 -7.49 1.20 4.57 0.76 -3.45 114.58 110.35 1c15 h GLU 46 Ca 0.00 -0.18 -0.46 0.00 -1.18 0.00 0.00 59.36 57.54 1c15 h GLU 46 Cb 0.68 0.05 0.13 0.00 -0.16 0.00 0.00 28.75 29.45 1c15 h GLU 46 CO 0.00 0.90 0.30 -1.25 -1.18 0.00 0.00 179.01 177.78 1c15 s PRO 47 N -3.24 1.12 0.02 0.92 0.04 -1.26 -5.00 135.00 127.60 1c15 s PRO 47 Ca -0.16 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1c15 s PRO 47 Cb 0.01 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1c15 s PRO 47 CO 0.74 -2.21 0.00 2.41 0.04 0.00 0.00 177.00 177.98 1c15 n THR 48 N -3.78 0.00 -0.08 1.26 -1.04 -1.26 -4.97 114.28 104.42 1c15 n THR 48 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1c15 n THR 48 Cb 0.59 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 -2.54 0.93 0.11 -2.82 1.13 -1.26 -4.85 117.38 108.09 1c15 n GLN 49 Ca 0.00 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.16 1c15 n GLN 49 Cb 0.00 0.00 0.46 0.00 0.11 0.00 0.00 30.24 30.81 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 -0.07 0.14 0.20 -1.09 6.02 -1.26 -2.36 117.38 118.96 1c15 n GLN 50 Ca 0.00 0.46 0.14 0.00 -0.01 0.00 0.00 57.00 57.59 1c15 n GLN 50 Cb 0.00 -1.83 0.71 0.00 1.02 0.00 0.00 30.24 30.15 1c15 n GLN 50 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1c15 h GLN 51 N 0.00 0.00 0.18 -1.09 4.15 -1.98 -3.14 115.11 113.22 1c15 h GLN 51 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1c15 h GLN 51 Cb 0.23 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 1c15 h GLN 51 CO 0.00 0.00 -0.50 -0.09 -1.93 0.00 0.00 178.83 176.31 1c15 h ARG 52 N 0.00 -0.73 -0.03 1.69 2.43 -1.80 -0.13 114.38 115.81 1c15 h ARG 52 Ca 0.00 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1c15 h ARG 52 Cb 0.11 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1c15 h ARG 52 CO 0.00 -0.49 -0.11 0.00 -1.51 0.00 0.00 179.97 177.86 1c15 h ALA 53 N -0.67 0.06 -1.15 2.80 0.00 -1.83 -2.81 119.26 115.66 1c15 h ALA 53 Ca -0.02 -0.36 0.33 0.00 0.00 0.00 0.00 54.91 54.86 1c15 h ALA 53 Cb 0.74 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 1c15 h ALA 53 CO -0.23 -0.04 0.75 0.00 0.00 0.00 0.00 179.25 179.73 1c15 h ALA 54 N 0.40 2.49 0.00 0.00 0.00 -1.53 0.96 119.26 121.58 1c15 h ALA 54 Ca -0.00 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1c15 h ALA 54 Cb 0.75 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1c15 h ALA 54 CO 0.02 -0.96 -0.68 1.98 0.00 0.00 0.00 179.25 179.62 1c15 h MET 55 N 0.26 0.00 0.24 0.00 -1.53 -1.00 -3.20 114.93 109.70 1c15 h MET 55 Ca 0.66 0.00 -0.33 0.00 -3.44 0.00 0.00 59.70 56.59 1c15 h MET 55 Cb 1.92 0.00 0.03 0.00 -0.55 0.00 0.00 31.60 33.01 1c15 h MET 55 CO -0.30 0.45 -1.47 1.25 0.14 0.00 0.00 176.91 176.98 1c15 h LEU 56 N 0.00 0.80 -0.90 3.39 5.85 0.10 -3.12 115.31 121.43 1c15 h LEU 56 Ca -0.03 -0.87 -0.05 0.00 0.84 0.00 0.00 57.88 57.77 1c15 h LEU 56 Cb 1.41 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1c15 h LEU 56 CO 0.06 1.68 0.25 0.40 -0.34 0.00 0.00 178.44 180.49 1c15 h ILE 57 N 0.14 1.25 -0.58 4.05 1.08 -0.69 -2.47 117.51 120.29 1c15 h ILE 57 Ca -0.25 -0.81 -0.07 0.00 -0.39 0.00 0.00 64.86 63.34 1c15 h ILE 57 Cb 2.15 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 36.33 1c15 h ILE 57 CO 0.27 0.32 0.08 0.50 -0.69 0.00 0.00 178.15 178.63 1c15 h LYS 58 N 1.02 0.93 -0.04 2.37 3.64 -1.63 -2.12 116.57 120.73 1c15 h LYS 58 Ca 0.23 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1c15 h LYS 58 Cb 0.24 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1c15 h LYS 58 CO -0.01 0.87 0.04 0.52 -2.27 0.00 0.00 179.45 178.59 1c15 h MET 59 N 0.88 0.00 -0.01 1.90 2.86 -1.38 0.46 114.93 119.65 1c15 h MET 59 Ca 0.18 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1c15 h MET 59 Cb 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1c15 h MET 59 CO 0.01 0.00 -0.00 0.82 1.06 0.00 0.00 176.91 178.80 1c15 h ILE 60 N 0.00 1.28 0.00 -1.22 2.04 -1.26 -2.93 117.51 115.42 1c15 h ILE 60 Ca 0.02 -0.83 -0.20 0.00 1.00 0.00 0.00 64.86 64.85 1c15 h ILE 60 Cb 0.10 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1c15 h ILE 60 CO -0.00 0.22 -0.97 -0.07 0.00 0.00 0.00 178.15 177.33 1c15 h LEU 61 N -0.33 0.00 -1.97 1.44 -0.00 -1.43 -3.26 115.31 109.76 1c15 h LEU 61 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1c15 h LEU 61 Cb 0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1c15 h LEU 61 CO 0.00 0.92 -0.06 0.11 -0.00 0.00 0.00 178.44 179.42 1c15 h LYS 62 N 0.00 0.00 0.25 1.13 1.79 -0.10 -3.17 116.57 116.47 1c15 h LYS 62 Ca -0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1c15 h LYS 62 Cb 1.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.38 1c15 h LYS 62 CO 0.12 0.06 -0.12 -0.22 -1.08 0.00 0.00 179.45 178.20 1c15 h LYS 63 N 0.00 -0.33 -2.98 3.15 3.11 -1.55 -3.49 116.57 114.48 1c15 h LYS 63 Ca -0.00 0.02 0.07 0.00 -2.81 0.00 0.00 60.65 57.93 1c15 h LYS 63 Cb 0.11 0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 31.36 1c15 h LYS 63 CO 0.01 -0.22 0.24 0.34 -2.81 0.00 0.00 179.45 177.01 1c15 s ASP 64 N -3.55 -0.25 0.13 4.20 2.15 -1.20 -5.04 116.67 113.11 1c15 s ASP 64 Ca -0.05 -0.61 0.09 0.00 0.43 0.00 0.00 52.55 52.42 1c15 s ASP 64 Cb 0.00 0.72 -0.16 0.00 -0.30 0.00 0.00 42.92 43.19 1c15 s ASP 64 CO 0.15 -1.34 1.24 0.78 -0.17 0.00 0.00 175.17 175.83 1c15 h ASN 65 N 2.00 0.00 -0.59 -0.34 4.21 -1.90 -3.29 115.58 115.67 1c15 h ASN 65 Ca -0.19 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.30 1c15 h ASN 65 Cb 1.25 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.42 1c15 h ASN 65 CO 0.23 0.89 0.31 0.44 -1.29 0.00 0.00 177.43 178.01 1c15 h ASP 66 N 0.00 0.78 -0.76 5.81 3.32 -1.96 -2.23 116.42 121.38 1c15 h ASP 66 Ca -0.04 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 56.95 1c15 h ASP 66 Cb 1.71 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 41.02 1c15 h ASP 66 CO 0.11 0.65 0.50 -1.28 -1.72 0.00 0.00 179.24 177.51 1c15 h SER 67 N 0.87 0.86 -0.62 6.45 0.87 -1.88 -1.63 113.55 118.47 1c15 h SER 67 Ca 0.22 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1c15 h SER 67 Cb 0.07 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1c15 h SER 67 CO -0.03 0.62 0.40 0.22 -0.53 0.00 0.00 176.83 177.50 1c15 h TYR 68 N 1.01 0.80 -0.38 2.24 3.20 -1.55 -1.45 116.97 120.85 1c15 h TYR 68 Ca 0.28 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.09 1c15 h TYR 68 Cb -0.09 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.89 1c15 h TYR 68 CO -0.00 0.52 -0.06 0.28 -1.64 0.00 0.00 178.16 177.26 1c15 h VAL 69 N 0.85 1.23 -0.29 1.81 2.07 -1.29 -2.70 116.25 117.94 1c15 h VAL 69 Ca 0.23 -0.98 -0.14 0.00 0.82 0.00 0.00 66.70 66.62 1c15 h VAL 69 Cb -0.07 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1c15 h VAL 69 CO -0.05 0.33 -0.40 -1.28 0.02 0.00 0.00 177.57 176.20 1c15 h SER 70 N 0.59 0.72 -1.00 0.57 0.87 -1.12 -3.00 113.55 111.19 1c15 h SER 70 Ca 0.11 -0.32 0.17 0.00 -1.23 0.00 0.00 61.79 60.52 1c15 h SER 70 Cb 0.46 -0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 62.12 1c15 h SER 70 CO 0.02 1.04 0.62 0.15 -0.53 0.00 0.00 176.83 178.13 1c15 h PHE 71 N 0.56 1.07 0.17 2.24 3.57 -1.05 0.66 116.94 124.16 1c15 h PHE 71 Ca 0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1c15 h PHE 71 Cb 0.93 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1c15 h PHE 71 CO 0.04 0.30 -0.08 -0.92 -2.23 0.00 0.00 178.31 175.42 1c15 h TYR 72 N 0.82 -0.22 0.00 0.41 3.20 -1.52 -2.61 116.97 117.05 1c15 h TYR 72 Ca 0.55 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.40 1c15 h TYR 72 Cb 0.78 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 1c15 h TYR 72 CO -0.00 -0.04 -0.04 -0.97 -1.64 0.00 0.00 178.16 175.47 1c15 h ASN 73 N -0.36 0.00 -0.45 -2.11 -0.00 -1.33 -2.74 115.58 108.59 1c15 h ASN 73 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.17 1c15 h ASN 73 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.59 1c15 h ASN 73 CO 0.04 0.04 -0.15 0.00 -0.00 0.00 0.00 177.43 177.36 1c15 h ALA 74 N 1.96 0.62 0.15 1.57 0.00 0.65 -2.75 119.26 121.46 1c15 h ALA 74 Ca -0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 54.91 54.27 1c15 h ALA 74 Cb 0.66 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1c15 h ALA 74 CO 0.00 0.55 -1.28 -0.07 0.00 0.00 0.00 179.25 178.45 1c15 h LEU 75 N 0.73 0.49 -1.25 0.00 3.38 -1.43 -3.20 115.31 114.04 1c15 h LEU 75 Ca 0.11 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1c15 h LEU 75 Cb 0.70 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1c15 h LEU 75 CO 0.05 1.41 0.00 -0.07 0.09 0.00 0.00 178.44 179.92 1c15 h LEU 76 N 0.09 0.00 -2.63 1.67 3.38 -1.47 -2.59 115.31 113.76 1c15 h LEU 76 Ca -0.15 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1c15 h LEU 76 Cb 2.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.75 1c15 h LEU 76 CO 0.22 0.00 0.10 -0.74 0.09 0.00 0.00 178.44 178.10 1c15 h HIS 77 N 0.00 0.00 0.00 1.13 2.76 -1.48 -3.37 115.15 114.19 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 0.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1c15 h HIS 77 CO 0.00 0.00 0.00 0.39 -1.30 0.00 0.00 177.93 177.02 1c15 n GLU 78 N -3.23 0.00 -2.69 5.26 1.02 -0.98 -5.06 120.64 114.97 1c15 n GLU 78 Ca -0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.07 1c15 n GLU 78 Cb 0.17 -0.04 0.08 0.00 -0.02 0.00 0.00 31.44 31.63 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 3.49 -1.22 0.12 0.62 0.00 -1.22 -5.00 105.19 101.97 1c15 n GLY 79 Ca 0.00 0.75 0.05 0.00 0.00 0.00 0.00 46.02 46.82 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 1.30 0.00 -0.37 1.61 4.01 -1.21 -4.80 117.16 117.70 1c15 n TYR 80 Ca 0.02 -0.61 0.28 0.00 -0.16 0.00 0.00 57.90 57.43 1c15 n TYR 80 Cb 0.70 -0.09 0.55 0.00 -0.31 0.00 0.00 39.34 40.18 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 0.00 0.25 -0.29 -0.72 3.64 -1.91 0.46 116.57 118.01 1c15 h LYS 81 Ca 0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1c15 h LYS 81 Cb 0.93 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1c15 h LYS 81 CO 0.00 0.17 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.82 1c15 h ASP 82 N 0.26 0.57 0.19 4.20 5.19 -1.99 0.10 116.42 124.94 1c15 h ASP 82 Ca 0.73 -0.38 -0.01 0.00 -0.62 0.00 0.00 57.03 56.75 1c15 h ASP 82 Cb 1.95 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 41.30 1c15 h ASP 82 CO -0.45 0.82 -0.09 0.25 -3.12 0.00 0.00 179.24 176.64 1c15 h LEU 83 N 0.32 -0.22 -2.25 1.55 6.46 -0.66 -3.10 115.31 117.41 1c15 h LEU 83 Ca 0.07 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 1c15 h LEU 83 Cb 0.57 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1c15 h LEU 83 CO 0.03 0.26 -0.02 0.00 -0.62 0.00 0.00 178.44 178.08 1c15 h ALA 84 N -0.16 1.62 -0.60 1.25 0.00 -0.50 -2.31 119.26 118.57 1c15 h ALA 84 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1c15 h ALA 84 Cb 0.51 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1c15 h ALA 84 CO 0.04 0.03 0.38 0.00 0.00 0.00 0.00 179.25 179.71 1c15 h ALA 85 N 1.98 0.76 -0.63 0.00 0.00 -0.71 0.42 119.26 121.07 1c15 h ALA 85 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1c15 h ALA 85 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1c15 h ALA 85 CO 0.00 0.21 0.35 1.25 0.00 0.00 0.00 179.25 181.06 1c15 h LEU 86 N 0.81 0.78 -0.46 0.00 7.12 -1.41 0.12 115.31 122.27 1c15 h LEU 86 Ca 0.22 -0.09 -0.17 0.00 0.13 0.00 0.00 57.88 57.96 1c15 h LEU 86 Cb -0.06 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 39.86 1c15 h LEU 86 CO -0.04 0.65 -0.71 -0.07 -0.13 0.00 0.00 178.44 178.13 1c15 h LEU 87 N 0.85 0.40 -0.07 2.25 3.38 -1.46 -2.98 115.31 117.69 1c15 h LEU 87 Ca 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1c15 h LEU 87 Cb 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1c15 h LEU 87 CO -0.04 0.98 -0.08 -0.74 0.09 0.00 0.00 178.44 178.66 1c15 h HIS 88 N 0.23 0.22 0.00 1.13 2.76 0.19 -2.85 115.15 116.83 1c15 h HIS 88 Ca -0.02 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1c15 h HIS 88 Cb 1.27 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.19 1c15 h HIS 88 CO 0.04 0.63 0.00 -0.44 -1.30 0.00 0.00 177.93 176.86 1c15 h ASP 89 N -0.26 0.00 1.32 3.26 3.32 -0.83 -0.72 116.42 122.52 1c15 h ASP 89 Ca 0.01 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1c15 h ASP 89 Cb 0.60 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1c15 h ASP 89 CO 0.02 0.00 -0.70 1.23 -1.72 0.00 0.00 179.24 178.07 1c15 h GLY 90 N 0.33 0.00 0.93 2.75 0.00 -1.34 -3.31 103.07 102.43 1c15 h GLY 90 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1c15 h GLY 90 CO 0.00 0.00 -0.13 -2.22 0.00 0.00 0.00 176.54 174.19 1c15 h ILE 91 N 0.00 0.72 0.00 2.60 2.04 -0.90 -3.38 117.51 118.59 1c15 h ILE 91 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1c15 h ILE 91 Cb 1.16 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1c15 h ILE 91 CO 0.02 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.36 1c15 n PRO 92 N -5.25 0.00 -3.81 2.37 -0.04 -1.25 -3.79 135.00 123.23 1c15 n PRO 92 Ca -0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.25 1c15 n PRO 92 Cb 0.17 -0.60 -0.11 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.32 0.01 -0.13 0.52 1.01 -1.25 -4.82 120.40 115.43 1c15 s VAL 93 Ca 0.00 -0.12 0.18 0.00 0.00 0.00 0.00 61.98 62.05 1c15 s VAL 93 Cb 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 36.38 35.84 1c15 s VAL 93 CO 0.00 -0.06 0.60 0.52 0.00 0.00 0.00 175.10 176.16 1c15 n VAL 94 N 2.68 0.96 0.26 2.92 0.31 -1.26 -3.44 118.33 120.76 1c15 n VAL 94 Ca -0.14 -0.68 0.15 0.00 -0.01 0.00 0.00 64.34 63.66 1c15 n VAL 94 Cb 0.58 -0.51 0.87 0.00 -0.91 0.00 0.00 33.84 33.87 1c15 n VAL 94 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1c15 h SER 95 N 0.00 0.00 -0.11 4.52 0.87 -1.96 -1.66 113.55 115.22 1c15 h SER 95 Ca -0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1c15 h SER 95 Cb 1.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1c15 h SER 95 CO 0.03 0.00 0.00 -0.24 -0.53 0.00 0.00 176.83 176.09 1c15 n SER 96 N -3.88 2.05 0.00 6.23 2.88 -1.26 -5.30 113.62 114.34 1c15 n SER 96 Ca -0.01 -1.64 0.00 0.00 -1.33 0.00 0.00 58.87 55.89 1c15 n SER 96 Cb 0.17 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1c15 n SER 96 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57