#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 3.97 0.35 6.12 1.47 -1.26 -4.95 116.67 122.37 1c15 s ASP 2 Ca 0.00 -0.35 0.16 0.00 1.18 0.00 0.00 52.55 53.54 1c15 s ASP 2 Cb 0.00 -1.60 0.63 0.00 -0.34 0.00 0.00 42.92 41.61 1c15 s ASP 2 CO 0.00 0.16 1.73 0.00 0.68 0.00 0.00 175.17 177.73 1c15 h ALA 3 N 6.78 1.06 -0.83 2.11 0.00 -2.00 -3.02 119.26 123.36 1c15 h ALA 3 Ca -0.26 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.33 1c15 h ALA 3 Cb 1.21 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1c15 h ALA 3 CO 0.56 0.54 0.54 -0.22 0.00 0.00 0.00 179.25 180.66 1c15 h LYS 4 N 0.00 0.87 -0.80 0.00 3.64 -1.92 -1.41 116.57 116.95 1c15 h LYS 4 Ca -0.00 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1c15 h LYS 4 Cb 0.89 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 1c15 h LYS 4 CO 0.06 0.58 0.37 0.00 -2.27 0.00 0.00 179.45 178.18 1c15 h ALA 5 N 1.56 1.14 -0.21 5.00 0.00 -1.56 -1.82 119.26 123.37 1c15 h ALA 5 Ca 0.36 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1c15 h ALA 5 Cb 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1c15 h ALA 5 CO -0.13 0.64 -0.22 -0.09 0.00 0.00 0.00 179.25 179.45 1c15 h ARG 6 N 1.14 0.37 0.00 0.00 2.43 -1.39 -2.46 114.38 114.48 1c15 h ARG 6 Ca 0.27 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1c15 h ARG 6 Cb 0.14 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1c15 h ARG 6 CO -0.03 0.58 -0.55 -0.91 -1.51 0.00 0.00 179.97 177.54 1c15 h ASN 7 N 0.34 0.00 0.49 -3.80 4.21 -0.93 -3.02 115.58 112.87 1c15 h ASN 7 Ca 0.06 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.54 1c15 h ASN 7 Cb 0.58 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1c15 h ASN 7 CO 0.04 0.55 -0.24 0.00 -1.29 0.00 0.00 177.43 176.50 1c15 h LEU 9 N -0.72 0.68 -0.96 0.00 7.12 -1.59 -0.63 115.31 119.21 1c15 h LEU 9 Ca -0.07 -0.01 -0.10 0.00 0.13 0.00 0.00 57.88 57.83 1c15 h LEU 9 Cb 0.54 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.49 1c15 h LEU 9 CO 0.11 0.48 -0.48 -0.07 -0.13 0.00 0.00 178.44 178.35 1c15 h LEU 10 N 0.80 0.00 -3.58 2.25 3.38 -1.34 -2.85 115.31 113.97 1c15 h LEU 10 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1c15 h LEU 10 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1c15 h LEU 10 CO -0.06 0.48 0.00 1.67 0.09 0.00 0.00 178.44 180.62 1c15 n GLN 11 N -3.78 4.91 -0.91 1.13 7.27 0.36 -4.31 117.38 122.04 1c15 n GLN 11 Ca -0.01 -3.17 -0.07 0.00 0.07 0.00 0.00 57.00 53.82 1c15 n GLN 11 Cb 0.53 -2.27 0.19 0.00 2.41 0.00 0.00 30.24 31.09 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 0.60 1.26 -0.03 3.69 -0.00 -0.55 -4.66 115.22 115.54 1c15 n HIS 12 Ca 0.28 -1.70 -0.15 0.00 0.46 0.00 0.00 57.72 56.60 1c15 n HIS 12 Cb 1.21 -0.52 -0.08 0.00 -0.12 0.00 0.00 29.99 30.47 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 1.10 0.50 -0.34 1.57 2.43 -1.77 -1.80 114.38 116.08 1c15 h ARG 13 Ca 0.25 -0.39 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1c15 h ARG 13 Cb 1.64 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.25 1c15 h ARG 13 CO 0.46 1.01 0.10 1.49 -1.51 0.00 0.00 179.97 181.52 1c15 h GLU 14 N 0.10 0.49 0.11 0.20 4.81 -1.95 0.65 114.58 118.99 1c15 h GLU 14 Ca -0.02 -0.07 -0.22 0.00 -0.13 0.00 0.00 59.36 58.92 1c15 h GLU 14 Cb 1.08 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 30.39 1c15 h GLU 14 CO 0.09 0.44 -0.94 0.00 -0.73 0.00 0.00 179.01 177.87 1c15 h ALA 15 N 1.63 -0.04 -0.49 2.92 0.00 -1.88 -3.10 119.26 118.30 1c15 h ALA 15 Ca 0.12 -0.70 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 1c15 h ALA 15 Cb 0.16 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1c15 h ALA 15 CO -0.01 0.48 -0.13 1.25 0.00 0.00 0.00 179.25 180.84 1c15 h LEU 16 N -0.09 0.94 -0.80 0.00 5.85 -1.11 -0.53 115.31 119.57 1c15 h LEU 16 Ca -0.15 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1c15 h LEU 16 Cb 1.68 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 1c15 h LEU 16 CO 0.18 1.07 0.52 -0.08 -0.34 0.00 0.00 178.44 179.79 1c15 h GLU 17 N 0.83 1.06 0.04 1.25 4.81 -0.95 0.51 114.58 122.12 1c15 h GLU 17 Ca 0.13 -0.07 -0.22 0.00 -0.13 0.00 0.00 59.36 59.07 1c15 h GLU 17 Cb 0.68 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1c15 h GLU 17 CO 0.05 0.71 -1.01 -0.22 -0.73 0.00 0.00 179.01 177.82 1c15 h LYS 18 N 1.09 0.16 0.00 1.92 3.64 -1.44 -3.39 116.57 118.56 1c15 h LYS 18 Ca 0.29 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1c15 h LYS 18 Cb -0.11 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1c15 h LYS 18 CO -0.06 1.03 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.63 1c15 h ASP 19 N 0.07 0.00 -4.12 4.20 3.32 -0.69 -3.47 116.42 115.73 1c15 h ASP 19 Ca -0.06 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.30 1c15 h ASP 19 Cb 1.70 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.94 1c15 h ASP 19 CO 0.15 0.36 -0.87 -0.63 -1.72 0.00 0.00 179.24 176.53 1c15 s ILE 20 N -1.46 2.16 -0.02 0.35 -1.09 0.17 -5.06 121.20 116.25 1c15 s ILE 20 Ca -0.03 -1.04 0.04 0.00 -2.23 0.00 0.00 60.65 57.39 1c15 s ILE 20 Cb 0.00 -1.78 -0.03 0.00 -1.58 0.00 0.00 42.46 39.07 1c15 s ILE 20 CO 0.04 0.57 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.67 1c15 s LYS 21 N -0.28 2.49 -0.21 2.79 1.02 -1.26 -4.04 119.74 120.25 1c15 s LYS 21 Ca 0.00 -0.72 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 1c15 s LYS 21 Cb -0.13 -2.42 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1c15 s LYS 21 CO 0.03 0.61 0.54 0.25 -0.92 0.00 0.00 175.35 175.85 1c15 n THR 22 N 1.96 0.00 -3.62 2.17 -2.24 -1.26 -4.77 114.28 106.52 1c15 n THR 22 Ca -0.17 -0.03 -0.07 0.00 -2.27 0.00 0.00 64.05 61.52 1c15 n THR 22 Cb 0.52 -0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.93 -1.26 -0.22 3.42 2.88 -1.26 -4.95 113.62 114.16 1c15 n SER 23 Ca 0.14 -2.07 0.21 0.00 -1.33 0.00 0.00 58.87 55.82 1c15 n SER 23 Cb 0.01 2.16 0.39 0.00 -0.75 0.00 0.00 64.21 66.03 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 -0.35 0.76 0.24 0.66 9.36 -1.26 0.17 117.16 126.75 1c15 n TYR 24 Ca -0.04 0.77 -0.14 0.00 3.32 0.00 0.00 57.90 61.81 1c15 n TYR 24 Cb 0.37 -1.20 -0.07 0.00 -0.63 0.00 0.00 39.34 37.81 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 0.36 117.51 119.95 1c15 h ILE 25 Ca 0.56 0.00 -0.24 0.00 -0.39 0.00 0.00 64.86 64.79 1c15 h ILE 25 Cb 1.51 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1c15 h ILE 25 CO -0.50 0.00 -0.96 0.24 -0.69 0.00 0.00 178.15 176.24 1c15 h MET 26 N -0.79 0.58 0.37 2.37 2.86 -1.09 -3.09 114.93 116.15 1c15 h MET 26 Ca -0.06 -0.60 -0.02 0.00 -2.06 0.00 0.00 59.70 56.97 1c15 h MET 26 Cb 0.67 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1c15 h MET 26 CO -0.01 1.22 -0.18 0.22 1.06 0.00 0.00 176.91 179.21 1c15 h ASP 27 N 0.34 -0.43 -0.60 1.22 3.58 -0.24 -1.80 116.42 118.50 1c15 h ASP 27 Ca -0.10 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.41 1c15 h ASP 27 Cb 1.60 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 42.73 1c15 h ASP 27 CO 0.18 -0.26 0.40 -0.74 -2.88 0.00 0.00 179.24 175.93 1c15 h HIS 28 N -0.55 0.51 -0.38 0.28 2.76 -0.39 -1.73 115.15 115.64 1c15 h HIS 28 Ca -0.05 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.02 1c15 h HIS 28 Cb 0.42 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1c15 h HIS 28 CO -0.04 0.26 -0.20 0.52 -1.30 0.00 0.00 177.93 177.17 1c15 h MET 29 N 0.49 0.82 -0.53 5.26 2.86 -1.38 -0.33 114.93 122.11 1c15 h MET 29 Ca 0.27 -0.36 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1c15 h MET 29 Cb 0.41 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1c15 h MET 29 CO -0.08 1.00 0.16 0.82 1.06 0.00 0.00 176.91 179.87 1c15 h ILE 30 N 0.62 1.24 0.00 -1.22 2.04 -0.47 -2.51 117.51 117.21 1c15 h ILE 30 Ca 0.08 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1c15 h ILE 30 Cb 0.76 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1c15 h ILE 30 CO 0.06 0.30 0.00 0.28 0.00 0.00 0.00 178.15 178.79 1c15 h SER 31 N 0.73 0.00 -0.03 1.72 0.02 -1.37 -2.98 113.55 111.63 1c15 h SER 31 Ca 0.17 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1c15 h SER 31 Cb 0.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1c15 h SER 31 CO -0.00 0.00 0.06 -0.78 -1.14 0.00 0.00 176.83 174.97 1c15 h ASP 32 N 0.00 0.00 0.00 3.07 3.58 -0.58 -3.44 116.42 119.05 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 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 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 -1.23 0.69 0.46 -0.78 0.00 -1.20 -5.03 105.19 98.08 1c15 n GLY 33 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.09 -2.05 1.61 0.04 -1.64 -3.45 116.94 110.37 1c15 h PHE 34 Ca 0.00 -0.02 -0.61 0.00 2.80 0.00 0.00 57.97 60.14 1c15 h PHE 34 Cb 0.00 0.37 -0.13 0.00 2.20 0.00 0.00 35.95 38.39 1c15 h PHE 34 CO 0.00 -0.66 -0.70 -0.51 -0.60 0.00 0.00 178.31 175.84 1c15 s LEU 35 N -9.11 2.72 0.84 1.54 1.02 -1.13 -4.96 118.68 109.60 1c15 s LEU 35 Ca -0.17 -1.10 -0.12 0.00 0.02 0.00 0.00 54.13 52.77 1c15 s LEU 35 Cb 0.02 -1.09 0.10 0.00 0.02 0.00 0.00 46.19 45.23 1c15 s LEU 35 CO 0.51 -0.11 1.17 0.42 0.02 0.00 0.00 176.35 178.36 1c15 s THR 36 N -2.55 2.20 -0.12 5.49 -4.23 -1.26 -4.50 115.64 110.66 1c15 s THR 36 Ca 0.32 0.08 0.23 0.00 -1.18 0.00 0.00 61.69 61.14 1c15 s THR 36 Cb -0.01 -2.35 0.25 0.00 1.34 0.00 0.00 72.50 71.73 1c15 s THR 36 CO 0.16 -0.07 1.69 0.40 -0.54 0.00 0.00 174.62 176.26 1c15 h ILE 37 N -1.23 0.37 -0.09 2.99 2.04 -1.95 -3.14 117.51 116.51 1c15 h ILE 37 Ca -0.45 -1.26 0.02 0.00 1.00 0.00 0.00 64.86 64.18 1c15 h ILE 37 Cb 1.28 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1c15 h ILE 37 CO 0.45 0.18 0.06 0.28 0.00 0.00 0.00 178.15 179.13 1c15 h SER 38 N 0.00 0.01 0.18 1.72 0.02 -1.99 -0.73 113.55 112.75 1c15 h SER 38 Ca -0.00 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1c15 h SER 38 Cb 0.94 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 1c15 h SER 38 CO 0.02 0.00 -0.30 -0.08 -1.14 0.00 0.00 176.83 175.33 1c15 h GLU 39 N 0.01 0.20 -0.56 3.45 4.81 -1.92 -2.77 114.58 117.80 1c15 h GLU 39 Ca 0.04 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1c15 h GLU 39 Cb 0.16 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1c15 h GLU 39 CO -0.00 0.49 -0.01 1.49 -0.73 0.00 0.00 179.01 180.26 1c15 h GLU 40 N 0.18 0.97 -0.06 1.92 4.81 -1.30 -1.97 114.58 119.11 1c15 h GLU 40 Ca 0.03 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1c15 h GLU 40 Cb 0.63 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1c15 h GLU 40 CO 0.05 0.96 -0.21 1.49 -0.73 0.00 0.00 179.01 180.56 1c15 h GLU 41 N 0.89 0.11 0.14 1.92 4.81 -1.45 -2.50 114.58 118.50 1c15 h GLU 41 Ca 0.16 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1c15 h GLU 41 Cb 0.53 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1c15 h GLU 41 CO 0.03 0.32 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.34 1c15 h LYS 42 N 0.10 -0.18 -0.99 1.92 3.64 -1.35 -3.27 116.57 116.43 1c15 h LYS 42 Ca 0.02 0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.67 1c15 h LYS 42 Cb 0.44 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.23 1c15 h LYS 42 CO 0.03 0.12 0.67 0.28 -2.27 0.00 0.00 179.45 178.28 1c15 h VAL 43 N -0.99 0.56 -0.99 2.00 2.07 -1.36 0.74 116.25 118.28 1c15 h VAL 43 Ca -0.02 -0.09 0.26 0.00 0.82 0.00 0.00 66.70 67.67 1c15 h VAL 43 Cb 0.39 0.27 -0.13 0.00 -1.52 0.00 0.00 31.29 30.30 1c15 h VAL 43 CO 0.03 0.05 0.56 -0.09 0.02 0.00 0.00 177.57 178.14 1c15 h ARG 44 N 0.26 0.47 0.00 1.57 2.43 -1.50 -3.22 114.38 114.40 1c15 h ARG 44 Ca 0.52 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1c15 h ARG 44 Cb 1.56 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 1c15 h ARG 44 CO -0.16 0.31 -0.27 -1.71 -1.51 0.00 0.00 179.97 176.63 1c15 n ASN 45 N -4.96 0.00 -0.07 -3.80 5.15 -0.40 -4.91 115.26 106.27 1c15 n ASN 45 Ca 0.28 -1.54 -0.13 0.00 -0.60 0.00 0.00 54.58 52.59 1c15 n ASN 45 Cb 0.80 -0.11 -0.12 0.00 -0.53 0.00 0.00 39.78 39.82 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 -7.49 1.20 4.81 0.43 -3.46 114.58 110.07 1c15 h GLU 46 Ca 0.00 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.76 1c15 h GLU 46 Cb 1.21 0.00 0.12 0.00 0.63 0.00 0.00 28.75 30.72 1c15 h GLU 46 CO 0.00 0.91 0.32 -1.25 -0.73 0.00 0.00 179.01 178.27 1c15 s PRO 47 N -2.17 1.49 0.00 0.92 0.04 -1.26 -5.01 135.00 129.01 1c15 s PRO 47 Ca -0.18 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1c15 s PRO 47 Cb -0.03 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1c15 s PRO 47 CO 0.63 -1.97 0.00 2.41 0.04 0.00 0.00 177.00 178.11 1c15 n THR 48 N -3.62 0.00 -1.46 1.26 -1.04 -1.26 -4.96 114.28 103.20 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 0.59 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 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 -1.90 2.65 0.08 -2.82 1.13 -1.26 -4.92 117.38 110.35 1c15 n GLN 49 Ca 0.00 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.14 1c15 n GLN 49 Cb 0.10 0.00 0.38 0.00 0.11 0.00 0.00 30.24 30.83 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 0.10 0.33 -1.09 3.00 -1.26 -2.62 117.38 115.85 1c15 n GLN 50 Ca 0.00 0.45 0.19 0.00 -0.01 0.00 0.00 57.00 57.62 1c15 n GLN 50 Cb 0.00 -1.73 1.00 0.00 0.00 0.00 0.00 30.24 29.51 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 -0.49 -1.09 4.15 -1.99 -2.55 115.11 113.13 1c15 h GLN 51 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.52 1c15 h GLN 51 Cb 0.18 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.79 1c15 h GLN 51 CO 0.00 0.00 -0.03 -0.09 -1.93 0.00 0.00 178.83 176.78 1c15 h ARG 52 N 0.00 0.08 0.04 1.69 2.43 -1.87 0.32 114.38 117.08 1c15 h ARG 52 Ca 0.00 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.93 1c15 h ARG 52 Cb 0.37 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1c15 h ARG 52 CO -0.00 0.06 -1.03 0.00 -1.51 0.00 0.00 179.97 177.49 1c15 h ALA 53 N 1.45 0.31 -0.55 2.80 0.00 -1.75 -2.90 119.26 118.63 1c15 h ALA 53 Ca 0.25 -0.77 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1c15 h ALA 53 Cb 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1c15 h ALA 53 CO -0.43 0.89 0.17 0.00 0.00 0.00 0.00 179.25 179.88 1c15 h ALA 54 N 0.74 1.28 0.07 0.00 0.00 -1.41 -1.93 119.26 118.00 1c15 h ALA 54 Ca -0.09 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.40 1c15 h ALA 54 Cb 1.69 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1c15 h ALA 54 CO 0.17 0.52 -1.09 1.98 0.00 0.00 0.00 179.25 180.83 1c15 h MET 55 N 0.79 0.28 -0.36 0.00 -1.53 -0.99 -3.01 114.93 110.11 1c15 h MET 55 Ca 0.18 -0.39 -0.13 0.00 -3.44 0.00 0.00 59.70 55.92 1c15 h MET 55 Cb 0.23 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 1c15 h MET 55 CO -0.01 1.13 -0.27 1.25 0.14 0.00 0.00 176.91 179.16 1c15 h LEU 56 N 0.12 0.86 -0.86 3.39 5.85 -1.28 -2.49 115.31 120.90 1c15 h LEU 56 Ca -0.10 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.10 1c15 h LEU 56 Cb 1.78 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 1c15 h LEU 56 CO 0.18 1.12 -0.03 0.40 -0.34 0.00 0.00 178.44 179.77 1c15 h ILE 57 N 0.61 1.25 -0.57 4.05 5.03 -1.43 -2.82 117.51 123.63 1c15 h ILE 57 Ca 0.07 -1.06 -0.11 0.00 -0.12 0.00 0.00 64.86 63.64 1c15 h ILE 57 Cb 0.84 0.91 -0.02 0.00 -3.03 0.00 0.00 36.82 35.52 1c15 h ILE 57 CO 0.07 0.37 -0.07 0.11 -0.68 0.00 0.00 178.15 177.96 1c15 h LYS 58 N 0.76 1.06 -0.24 2.37 1.57 -1.44 -2.65 116.57 117.99 1c15 h LYS 58 Ca 0.14 -0.37 0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1c15 h LYS 58 Cb 0.50 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1c15 h LYS 58 CO 0.03 1.07 0.17 0.52 -0.57 0.00 0.00 179.45 180.66 1c15 h MET 59 N 0.95 0.15 0.33 3.15 2.86 -1.19 0.40 114.93 121.57 1c15 h MET 59 Ca 0.15 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1c15 h MET 59 Cb 0.63 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1c15 h MET 59 CO 0.04 0.10 -0.16 0.82 1.06 0.00 0.00 176.91 178.77 1c15 h ILE 60 N 0.15 0.69 -0.01 -1.22 2.04 -1.34 -2.48 117.51 115.34 1c15 h ILE 60 Ca 0.11 -0.33 -0.18 0.00 1.00 0.00 0.00 64.86 65.46 1c15 h ILE 60 Cb 0.23 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1c15 h ILE 60 CO -0.02 0.07 -0.81 -0.07 0.00 0.00 0.00 178.15 177.32 1c15 h LEU 61 N -0.62 0.23 -2.08 1.44 -0.00 -1.46 -3.13 115.31 109.68 1c15 h LEU 61 Ca -0.05 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 57.65 1c15 h LEU 61 Cb 0.45 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1c15 h LEU 61 CO 0.07 0.95 -0.05 0.11 -0.00 0.00 0.00 178.44 179.52 1c15 h LYS 62 N 0.11 0.00 0.17 1.13 1.79 -0.17 -3.18 116.57 116.41 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 1.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1c15 h LYS 62 CO 0.12 0.05 -0.08 -0.22 -1.08 0.00 0.00 179.45 178.24 1c15 h LYS 63 N 0.00 -0.22 -3.02 3.15 1.63 -1.39 -3.49 116.57 113.24 1c15 h LYS 63 Ca -0.00 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 1c15 h LYS 63 Cb 0.10 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.69 1c15 h LYS 63 CO 0.01 -0.14 0.21 0.34 -3.45 0.00 0.00 179.45 176.41 1c15 s ASP 64 N -3.86 -0.39 0.23 4.20 2.15 -1.20 -5.04 116.67 112.76 1c15 s ASP 64 Ca -0.03 -0.34 0.13 0.00 0.43 0.00 0.00 52.55 52.74 1c15 s ASP 64 Cb 0.00 0.66 -0.01 0.00 -0.30 0.00 0.00 42.92 43.27 1c15 s ASP 64 CO 0.10 -1.17 1.39 0.78 -0.17 0.00 0.00 175.17 176.11 1c15 h ASN 65 N 2.01 0.00 -0.46 -0.34 4.21 -1.88 -3.26 115.58 115.86 1c15 h ASN 65 Ca -0.26 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.23 1c15 h ASN 65 Cb 1.28 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.45 1c15 h ASN 65 CO 0.30 0.64 0.24 0.44 -1.29 0.00 0.00 177.43 177.77 1c15 h ASP 66 N 0.00 0.61 -0.32 5.81 3.32 -1.96 -1.95 116.42 121.94 1c15 h ASP 66 Ca -0.01 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1c15 h ASP 66 Cb 1.49 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.87 1c15 h ASP 66 CO 0.08 0.52 0.11 -1.28 -1.72 0.00 0.00 179.24 176.95 1c15 h SER 67 N 0.69 0.51 -0.60 6.45 0.87 -1.88 -2.26 113.55 117.34 1c15 h SER 67 Ca 0.17 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 1c15 h SER 67 Cb 0.06 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1c15 h SER 67 CO -0.02 0.51 0.14 0.22 -0.53 0.00 0.00 176.83 177.14 1c15 h TYR 68 N 0.55 1.03 -0.47 2.24 3.20 -1.50 -1.73 116.97 120.30 1c15 h TYR 68 Ca 0.13 -0.11 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 1c15 h TYR 68 Cb 0.19 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1c15 h TYR 68 CO 0.01 0.86 -0.21 0.28 -1.64 0.00 0.00 178.16 177.46 1c15 h VAL 69 N 0.94 1.27 -0.38 1.81 2.07 -1.36 -2.96 116.25 117.65 1c15 h VAL 69 Ca 0.20 -1.36 -0.10 0.00 0.82 0.00 0.00 66.70 66.26 1c15 h VAL 69 Cb 0.35 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1c15 h VAL 69 CO 0.00 0.47 -0.16 -1.28 0.02 0.00 0.00 177.57 176.62 1c15 h SER 70 N 0.82 0.69 -0.87 0.57 0.87 -1.17 -2.74 113.55 111.73 1c15 h SER 70 Ca 0.11 -0.22 0.11 0.00 -1.23 0.00 0.00 61.79 60.56 1c15 h SER 70 Cb 0.77 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.48 1c15 h SER 70 CO 0.06 0.86 0.56 0.15 -0.53 0.00 0.00 176.83 177.93 1c15 h PHE 71 N 0.62 0.87 -0.45 2.24 3.04 -1.15 0.23 116.94 122.35 1c15 h PHE 71 Ca 0.10 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.03 1c15 h PHE 71 Cb 0.62 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1c15 h PHE 71 CO 0.03 0.38 0.12 -0.92 -2.02 0.00 0.00 178.31 175.89 1c15 h TYR 72 N 0.79 0.74 0.00 0.41 3.20 -1.47 -2.71 116.97 117.94 1c15 h TYR 72 Ca 0.41 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 62.09 1c15 h TYR 72 Cb 0.51 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1c15 h TYR 72 CO -0.00 0.68 -0.52 -0.97 -1.64 0.00 0.00 178.16 175.71 1c15 h ASN 73 N 0.59 0.00 -0.61 -2.11 -1.24 -1.25 -2.91 115.58 108.06 1c15 h ASN 73 Ca 0.14 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.08 1c15 h ASN 73 Cb 0.30 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 1c15 h ASN 73 CO -0.00 0.52 0.10 0.00 -1.29 0.00 0.00 177.43 176.76 1c15 h ALA 74 N 1.48 0.81 -0.03 1.57 0.00 -0.31 -2.28 119.26 120.49 1c15 h ALA 74 Ca -0.01 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.40 1c15 h ALA 74 Cb 1.17 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1c15 h ALA 74 CO 0.07 0.57 -0.95 -0.07 0.00 0.00 0.00 179.25 178.87 1c15 h LEU 75 N 0.92 0.79 -0.98 0.00 3.38 -1.50 -3.08 115.31 114.84 1c15 h LEU 75 Ca 0.18 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1c15 h LEU 75 Cb 0.43 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1c15 h LEU 75 CO 0.01 1.40 0.00 -0.07 0.09 0.00 0.00 178.44 179.87 1c15 h LEU 76 N 0.37 0.00 -2.24 1.67 3.38 -1.41 -2.68 115.31 114.41 1c15 h LEU 76 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1c15 h LEU 76 Cb 1.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 1c15 h LEU 76 CO 0.18 0.00 -0.05 -0.74 0.09 0.00 0.00 178.44 177.92 1c15 h HIS 77 N 0.00 0.00 0.00 1.13 2.76 -1.31 -3.38 115.15 114.35 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 0.27 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.23 1c15 h HIS 77 CO 0.00 0.05 0.00 0.39 -1.30 0.00 0.00 177.93 177.07 1c15 n GLU 78 N -3.70 0.00 -2.49 5.26 1.02 -1.03 -5.04 120.64 114.67 1c15 n GLU 78 Ca -0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.08 1c15 n GLU 78 Cb 0.15 -0.12 0.02 0.00 -0.02 0.00 0.00 31.44 31.47 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 2.87 -0.29 1.20 0.62 0.00 -1.21 -4.99 105.19 103.39 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 1.17 -0.46 1.61 4.01 -1.10 -4.63 117.16 117.24 1c15 n TYR 80 Ca -0.19 -0.69 0.40 0.00 -0.16 0.00 0.00 57.90 57.25 1c15 n TYR 80 Cb 0.67 -0.26 0.73 0.00 -0.31 0.00 0.00 39.34 40.17 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 2.88 0.05 0.12 -0.72 3.64 -1.90 0.54 116.57 121.18 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 1.37 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1c15 h LYS 81 CO 0.22 0.03 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.93 1c15 h ASP 82 N 0.05 -0.13 -0.14 4.20 5.19 -1.99 -0.53 116.42 123.07 1c15 h ASP 82 Ca 0.72 -0.33 -0.12 0.00 -0.62 0.00 0.00 57.03 56.68 1c15 h ASP 82 Cb 2.69 0.03 0.00 0.00 0.18 0.00 0.00 39.33 42.24 1c15 h ASP 82 CO -0.10 0.28 -0.38 0.25 -3.12 0.00 0.00 179.24 176.17 1c15 h LEU 83 N -0.58 0.57 -1.50 1.55 6.46 -1.09 -3.12 115.31 117.60 1c15 h LEU 83 Ca -0.02 -0.58 0.00 0.00 -0.12 0.00 0.00 57.88 57.16 1c15 h LEU 83 Cb 0.46 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 1c15 h LEU 83 CO 0.03 1.06 0.34 0.00 -0.62 0.00 0.00 178.44 179.24 1c15 h ALA 84 N 0.53 1.63 -0.51 1.25 0.00 -0.15 -1.67 119.26 120.35 1c15 h ALA 84 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1c15 h ALA 84 Cb 0.99 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1c15 h ALA 84 CO 0.08 0.34 0.20 0.00 0.00 0.00 0.00 179.25 179.87 1c15 h ALA 85 N 1.68 1.38 -0.64 0.00 0.00 -1.03 -0.88 119.26 119.77 1c15 h ALA 85 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1c15 h ALA 85 Cb -0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1c15 h ALA 85 CO -0.04 0.46 0.41 1.25 0.00 0.00 0.00 179.25 181.34 1c15 h LEU 86 N 0.73 0.75 -0.24 0.00 5.85 -1.27 0.68 115.31 121.81 1c15 h LEU 86 Ca 0.18 -0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.65 1c15 h LEU 86 Cb 0.16 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1c15 h LEU 86 CO -0.02 0.56 -0.88 -0.07 -0.34 0.00 0.00 178.44 177.69 1c15 h LEU 87 N 0.87 0.51 -0.49 2.25 4.07 -1.44 -3.10 115.31 117.97 1c15 h LEU 87 Ca 0.23 -0.39 -0.14 0.00 0.08 0.00 0.00 57.88 57.66 1c15 h LEU 87 Cb -0.07 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 1c15 h LEU 87 CO -0.05 1.17 -0.31 -0.74 -1.08 0.00 0.00 178.44 177.43 1c15 h HIS 88 N 0.24 1.06 0.00 1.13 2.76 -0.83 -2.53 115.15 116.98 1c15 h HIS 88 Ca -0.06 -0.29 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 1c15 h HIS 88 Cb 1.50 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 30.23 1c15 h HIS 88 CO 0.05 1.09 0.00 -0.44 -1.30 0.00 0.00 177.93 177.34 1c15 h ASP 89 N 0.76 0.00 0.47 3.26 3.32 -0.91 -2.62 116.42 120.70 1c15 h ASP 89 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1c15 h ASP 89 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1c15 h ASP 89 CO 0.08 0.00 -1.01 0.61 -1.72 0.00 0.00 179.24 177.20 1c15 n GLY 90 N -0.03 -1.23 0.21 2.75 0.00 -1.05 -3.97 105.19 101.88 1c15 n GLY 90 Ca 0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 0.67 0.00 -0.61 2.04 -1.06 -3.38 117.51 115.17 1c15 h ILE 91 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1c15 h ILE 91 Cb 0.74 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1c15 h ILE 91 CO 0.00 0.08 0.00 -0.81 0.00 0.00 0.00 178.15 177.42 1c15 n PRO 92 N -5.19 0.00 -4.22 2.37 -0.04 -1.25 -3.48 135.00 123.19 1c15 n PRO 92 Ca -0.10 0.13 -0.16 0.00 -0.04 0.00 0.00 63.50 63.34 1c15 n PRO 92 Cb 0.26 -0.84 -0.11 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.78 1.15 -0.23 0.52 1.01 -1.25 -4.83 120.40 115.98 1c15 s VAL 93 Ca 0.00 -1.78 -0.08 0.00 0.00 0.00 0.00 61.98 60.11 1c15 s VAL 93 Cb 0.00 -1.56 -0.18 0.00 0.00 0.00 0.00 36.38 34.65 1c15 s VAL 93 CO 0.00 -0.56 -0.08 0.52 0.00 0.00 0.00 175.10 174.99 1c15 n VAL 94 N 0.34 1.57 -0.13 2.92 0.31 -0.67 -4.41 118.33 118.26 1c15 n VAL 94 Ca -0.14 -0.45 -0.25 0.00 -0.01 0.00 0.00 64.34 63.50 1c15 n VAL 94 Cb 0.58 -1.72 -0.10 0.00 -0.91 0.00 0.00 33.84 31.69 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 -3.79 1.94 0.01 4.52 2.88 -1.26 -2.93 113.62 114.98 1c15 n SER 95 Ca -0.44 0.16 0.11 0.00 -1.33 0.00 0.00 58.87 57.38 1c15 n SER 95 Cb 0.92 -0.64 0.01 0.00 -0.75 0.00 0.00 64.21 63.74 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 -3.85 0.71 0.00 -3.46 2.88 -1.26 -5.24 113.62 103.39 1c15 n SER 96 Ca -0.49 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 1c15 n SER 96 Cb 0.90 0.82 0.00 0.00 -0.75 0.00 0.00 64.21 65.19 1c15 n SER 96 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61