#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 3.95 0.47 7.83 -4.77 -1.26 -5.01 116.67 117.88 1c15 s ASP 2 Ca 0.00 -0.51 0.25 0.00 -3.30 0.00 0.00 52.55 48.99 1c15 s ASP 2 Cb 0.00 -0.60 1.16 0.00 -1.09 0.00 0.00 42.92 42.39 1c15 s ASP 2 CO 0.00 0.19 1.94 0.00 0.70 0.00 0.00 175.17 178.01 1c15 h ALA 3 N 3.86 1.17 -0.43 2.11 0.00 -1.98 -2.97 119.26 121.03 1c15 h ALA 3 Ca -0.49 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1c15 h ALA 3 Cb 1.17 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1c15 h ALA 3 CO 0.47 0.24 0.09 -0.22 0.00 0.00 0.00 179.25 179.84 1c15 h LYS 4 N 0.00 0.69 -0.86 0.00 3.64 -1.91 -2.34 116.57 115.80 1c15 h LYS 4 Ca -0.00 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1c15 h LYS 4 Cb 0.54 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 1c15 h LYS 4 CO 0.03 0.71 0.55 0.00 -2.27 0.00 0.00 179.45 178.46 1c15 h ALA 5 N 0.95 1.14 -0.31 5.00 0.00 -1.54 -0.43 119.26 124.07 1c15 h ALA 5 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1c15 h ALA 5 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1c15 h ALA 5 CO 0.00 0.37 0.15 -0.09 0.00 0.00 0.00 179.25 179.68 1c15 h ARG 6 N 1.06 0.45 0.00 0.00 2.43 -1.55 -2.08 114.38 114.69 1c15 h ARG 6 Ca 0.35 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1c15 h ARG 6 Cb 0.03 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1c15 h ARG 6 CO -0.13 0.43 -0.14 -0.91 -1.51 0.00 0.00 179.97 177.72 1c15 h ASN 7 N 0.37 0.00 0.83 -3.80 2.35 -0.87 -2.83 115.58 111.62 1c15 h ASN 7 Ca 0.11 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1c15 h ASN 7 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1c15 h ASN 7 CO -0.01 0.14 -0.46 0.00 -1.65 0.00 0.00 177.43 175.44 1c15 h LEU 9 N -1.19 0.98 -1.73 0.00 7.12 -1.51 -0.69 115.31 118.29 1c15 h LEU 9 Ca -0.11 -0.04 -0.03 0.00 0.13 0.00 0.00 57.88 57.83 1c15 h LEU 9 Cb 0.94 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1c15 h LEU 9 CO 0.14 0.73 -0.15 -0.07 -0.13 0.00 0.00 178.44 178.96 1c15 h LEU 10 N 1.15 0.00 -3.10 2.25 3.38 -1.24 -1.32 115.31 116.43 1c15 h LEU 10 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1c15 h LEU 10 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1c15 h LEU 10 CO -0.06 0.15 0.00 1.67 0.09 0.00 0.00 178.44 180.29 1c15 n GLN 11 N -4.26 3.74 -0.97 1.13 7.27 0.36 -4.31 117.38 120.33 1c15 n GLN 11 Ca -0.02 -2.87 -0.09 0.00 0.07 0.00 0.00 57.00 54.08 1c15 n GLN 11 Cb 0.22 -1.90 0.25 0.00 2.41 0.00 0.00 30.24 31.22 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 1.16 2.36 -0.03 3.69 -0.00 -0.50 -4.47 115.22 117.43 1c15 n HIS 12 Ca 0.26 -1.23 -0.13 0.00 0.46 0.00 0.00 57.72 57.08 1c15 n HIS 12 Cb 0.89 -0.69 -0.11 0.00 -0.12 0.00 0.00 29.99 29.96 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 2.11 -0.00 0.00 1.57 2.43 -1.76 0.96 114.38 119.69 1c15 h ARG 13 Ca 0.31 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1c15 h ARG 13 Cb 2.30 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.84 1c15 h ARG 13 CO 0.74 0.61 -0.11 1.49 -1.51 0.00 0.00 179.97 181.19 1c15 h GLU 14 N -0.62 0.00 0.09 0.20 4.81 -1.95 -0.41 114.58 116.70 1c15 h GLU 14 Ca -0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1c15 h GLU 14 Cb 0.61 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1c15 h GLU 14 CO 0.00 0.11 -1.07 0.00 -0.73 0.00 0.00 179.01 177.32 1c15 h ALA 15 N 1.89 0.10 -0.12 2.92 0.00 -1.83 -2.77 119.26 119.45 1c15 h ALA 15 Ca -0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 54.91 53.96 1c15 h ALA 15 Cb 0.24 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1c15 h ALA 15 CO 0.01 0.60 0.03 1.25 0.00 0.00 0.00 179.25 181.14 1c15 h LEU 16 N -0.50 0.18 -1.27 0.00 7.12 -0.63 0.82 115.31 121.03 1c15 h LEU 16 Ca -0.23 -0.22 -0.06 0.00 0.13 0.00 0.00 57.88 57.51 1c15 h LEU 16 Cb 1.58 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.65 1c15 h LEU 16 CO 0.04 0.35 -0.10 -0.08 -0.13 0.00 0.00 178.44 178.52 1c15 h GLU 17 N -0.00 0.38 0.00 1.25 4.81 -1.24 0.14 114.58 119.91 1c15 h GLU 17 Ca 0.04 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 1c15 h GLU 17 Cb 0.24 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1c15 h GLU 17 CO -0.00 0.48 -0.96 -0.22 -0.73 0.00 0.00 179.01 177.59 1c15 h LYS 18 N 0.36 0.00 0.00 1.92 3.64 -1.21 -3.37 116.57 117.91 1c15 h LYS 18 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1c15 h LYS 18 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1c15 h LYS 18 CO 0.02 0.62 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.25 1c15 h ASP 19 N 0.00 0.00 -3.20 4.20 3.32 0.11 -3.46 116.42 117.38 1c15 h ASP 19 Ca -0.07 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.48 1c15 h ASP 19 Cb 1.61 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.76 1c15 h ASP 19 CO 0.08 0.38 -0.76 -0.63 -1.72 0.00 0.00 179.24 176.60 1c15 s ILE 20 N -1.53 0.35 0.44 0.35 1.01 0.45 -5.06 121.20 117.20 1c15 s ILE 20 Ca -0.04 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 59.89 1c15 s ILE 20 Cb 0.01 -0.91 -0.08 0.00 0.01 0.00 0.00 42.46 41.48 1c15 s ILE 20 CO 0.06 -0.24 1.39 -0.54 0.00 0.00 0.00 174.94 175.61 1c15 s LYS 21 N 1.94 3.78 -0.18 2.79 1.02 -1.26 -4.48 119.74 123.35 1c15 s LYS 21 Ca 0.00 2.35 -0.05 0.00 0.02 0.00 0.00 55.97 58.29 1c15 s LYS 21 Cb -0.17 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 1c15 s LYS 21 CO -0.09 -0.71 0.47 0.25 -0.92 0.00 0.00 175.35 174.34 1c15 n THR 22 N -0.08 0.00 -4.11 2.17 -2.24 -1.26 -4.81 114.28 103.94 1c15 n THR 22 Ca 0.05 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 1c15 n THR 22 Cb 0.42 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 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 1.69 -0.56 -0.27 3.42 2.88 -1.26 -4.92 113.62 114.60 1c15 n SER 23 Ca 0.12 -2.37 0.24 0.00 -1.33 0.00 0.00 58.87 55.53 1c15 n SER 23 Cb 0.01 1.21 0.43 0.00 -0.75 0.00 0.00 64.21 65.11 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 -0.40 0.63 0.48 0.66 9.36 -1.26 0.20 117.16 126.83 1c15 n TYR 24 Ca 0.04 0.64 -0.20 0.00 3.32 0.00 0.00 57.90 61.70 1c15 n TYR 24 Cb 0.39 -1.05 -0.10 0.00 -0.63 0.00 0.00 39.34 37.95 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 0.00 2.97 1.08 -1.94 0.62 117.51 120.24 1c15 h ILE 25 Ca 0.58 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.92 1c15 h ILE 25 Cb 1.72 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1c15 h ILE 25 CO -0.42 0.00 -0.62 0.24 -0.69 0.00 0.00 178.15 176.67 1c15 h MET 26 N -1.27 0.00 0.25 2.37 2.86 -0.88 -2.76 114.93 115.51 1c15 h MET 26 Ca -0.12 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1c15 h MET 26 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1c15 h MET 26 CO 0.16 0.62 -0.12 0.22 1.06 0.00 0.00 176.91 178.85 1c15 h ASP 27 N 0.00 -0.29 -0.10 1.22 3.58 -0.12 -2.92 116.42 117.80 1c15 h ASP 27 Ca -0.01 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.48 1c15 h ASP 27 Cb 1.24 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.36 1c15 h ASP 27 CO 0.08 0.15 0.10 -0.74 -2.88 0.00 0.00 179.24 175.95 1c15 h HIS 28 N -1.05 0.00 -0.01 0.28 2.76 0.13 -2.40 115.15 114.86 1c15 h HIS 28 Ca -0.03 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1c15 h HIS 28 Cb 0.26 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 1c15 h HIS 28 CO 0.00 0.00 -0.02 1.98 -1.30 0.00 0.00 177.93 178.59 1c15 h MET 29 N 0.00 0.04 -0.12 5.26 1.85 -1.54 -2.63 114.93 117.78 1c15 h MET 29 Ca 0.05 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 1c15 h MET 29 Cb 0.25 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 1c15 h MET 29 CO -0.00 0.56 0.08 0.82 -0.40 0.00 0.00 176.91 177.97 1c15 h ILE 30 N -0.47 1.03 0.00 1.77 2.04 -1.23 -0.07 117.51 120.57 1c15 h ILE 30 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1c15 h ILE 30 Cb 0.55 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1c15 h ILE 30 CO 0.00 0.03 0.00 -1.20 0.00 0.00 0.00 178.15 176.99 1c15 n SER 31 N -4.52 0.82 0.19 1.72 7.64 -1.06 -3.26 113.62 115.16 1c15 n SER 31 Ca -0.01 0.60 0.18 0.00 1.01 0.00 0.00 58.87 60.65 1c15 n SER 31 Cb 0.08 -0.81 0.82 0.00 -1.01 0.00 0.00 64.21 63.29 1c15 n SER 31 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1c15 h ASP 32 N 0.00 0.00 0.00 6.43 3.58 -0.62 -3.44 116.42 122.37 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 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 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 -1.41 0.72 0.47 -0.78 0.00 -1.22 -5.03 105.19 97.94 1c15 n GLY 33 Ca 0.02 0.00 -0.19 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 -1.14 -2.01 1.61 0.04 -1.78 -3.44 116.94 110.21 1c15 h PHE 34 Ca 0.00 -0.01 -0.58 0.00 2.80 0.00 0.00 57.97 60.17 1c15 h PHE 34 Cb 0.00 0.40 -0.11 0.00 2.20 0.00 0.00 35.95 38.44 1c15 h PHE 34 CO 0.00 -0.66 -0.64 -0.51 -0.60 0.00 0.00 178.31 175.90 1c15 s LEU 35 N -10.06 2.97 0.60 1.54 1.02 -1.20 -4.96 118.68 108.58 1c15 s LEU 35 Ca -0.19 -0.93 -0.20 0.00 0.02 0.00 0.00 54.13 52.83 1c15 s LEU 35 Cb 0.03 -1.38 -0.03 0.00 0.02 0.00 0.00 46.19 44.83 1c15 s LEU 35 CO 0.61 -0.16 1.32 0.35 0.02 0.00 0.00 176.35 178.49 1c15 n THR 36 N -0.90 4.39 0.27 5.49 -2.24 -1.26 -4.68 114.28 115.36 1c15 n THR 36 Ca -0.05 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.40 1c15 n THR 36 Cb 0.61 -1.57 0.69 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.97 0.08 -0.15 2.28 2.04 -1.94 -2.87 117.51 117.93 1c15 h ILE 37 Ca -0.51 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 64.83 1c15 h ILE 37 Cb 1.32 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1c15 h ILE 37 CO 0.55 0.03 0.13 0.28 0.00 0.00 0.00 178.15 179.14 1c15 h SER 38 N 0.00 0.00 0.01 1.72 0.02 -1.99 -0.66 113.55 112.65 1c15 h SER 38 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1c15 h SER 38 Cb 0.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1c15 h SER 38 CO 0.00 0.00 -0.26 -0.08 -1.14 0.00 0.00 176.83 175.35 1c15 h GLU 39 N 0.00 0.40 -0.76 3.45 4.81 -1.88 -2.78 114.58 117.81 1c15 h GLU 39 Ca 0.07 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1c15 h GLU 39 Cb 0.33 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1c15 h GLU 39 CO -0.00 0.63 0.50 1.49 -0.73 0.00 0.00 179.01 180.90 1c15 h GLU 40 N 0.35 0.99 -0.01 1.92 4.81 -1.30 -0.88 114.58 120.46 1c15 h GLU 40 Ca 0.05 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1c15 h GLU 40 Cb 0.65 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1c15 h GLU 40 CO 0.05 0.65 -0.43 1.49 -0.73 0.00 0.00 179.01 180.04 1c15 h GLU 41 N 1.02 0.02 0.14 1.92 4.81 -1.55 -2.73 114.58 118.21 1c15 h GLU 41 Ca 0.28 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1c15 h GLU 41 Cb -0.09 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1c15 h GLU 41 CO -0.06 0.45 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.37 1c15 h LYS 42 N 0.02 -0.19 -1.06 1.92 3.64 -1.19 -3.29 116.57 116.42 1c15 h LYS 42 Ca -0.00 0.01 0.29 0.00 -1.27 0.00 0.00 60.65 59.68 1c15 h LYS 42 Cb 0.77 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 1c15 h LYS 42 CO 0.06 0.05 0.72 0.28 -2.27 0.00 0.00 179.45 178.29 1c15 h VAL 43 N -1.01 0.50 -0.96 2.00 2.07 -1.26 1.04 116.25 118.62 1c15 h VAL 43 Ca -0.02 -0.08 0.23 0.00 0.82 0.00 0.00 66.70 67.64 1c15 h VAL 43 Cb 0.32 0.23 -0.12 0.00 -1.52 0.00 0.00 31.29 30.21 1c15 h VAL 43 CO 0.03 0.04 0.53 -0.09 0.02 0.00 0.00 177.57 178.11 1c15 h ARG 44 N 0.24 0.53 0.00 1.57 2.43 -1.55 -3.27 114.38 114.34 1c15 h ARG 44 Ca 0.57 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1c15 h ARG 44 Cb 1.74 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 1c15 h ARG 44 CO -0.18 0.35 -0.32 0.09 -1.51 0.00 0.00 179.97 178.40 1c15 n ASN 45 N -4.92 0.00 -0.04 -3.80 4.13 -0.27 -4.91 115.26 105.44 1c15 n ASN 45 Ca 0.25 -1.64 -0.16 0.00 1.68 0.00 0.00 54.58 54.71 1c15 n ASN 45 Cb 0.68 -0.13 -0.13 0.00 -1.54 0.00 0.00 39.78 38.66 1c15 n ASN 45 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1c15 h GLU 46 N 0.00 0.08 -7.55 3.52 4.22 0.10 -3.46 114.58 111.49 1c15 h GLU 46 Ca 0.00 -0.13 -0.46 0.00 0.08 0.00 0.00 59.36 58.84 1c15 h GLU 46 Cb 1.25 0.05 0.12 0.00 0.50 0.00 0.00 28.75 30.67 1c15 h GLU 46 CO 0.00 1.06 0.34 -1.25 -2.18 0.00 0.00 179.01 176.99 1c15 s PRO 47 N -2.29 1.45 0.00 0.92 0.04 -1.26 -5.02 135.00 128.83 1c15 s PRO 47 Ca -0.19 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1c15 s PRO 47 Cb -0.01 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1c15 s PRO 47 CO 0.72 -1.97 0.00 2.41 0.04 0.00 0.00 177.00 178.20 1c15 n THR 48 N -3.59 0.00 -0.78 1.26 -1.04 -1.26 -5.00 114.28 103.87 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 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 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 -2.35 2.71 0.00 -2.82 1.13 -1.26 -4.92 117.38 109.87 1c15 n GLN 49 Ca 0.00 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.19 1c15 n GLN 49 Cb 0.15 0.00 0.69 0.00 0.11 0.00 0.00 30.24 31.19 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 0.55 0.26 -1.09 3.00 -1.26 -3.44 117.38 115.40 1c15 n GLN 50 Ca 0.00 0.03 0.17 0.00 -0.01 0.00 0.00 57.00 57.19 1c15 n GLN 50 Cb 0.00 -1.50 0.93 0.00 0.00 0.00 0.00 30.24 29.67 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 -0.80 -1.09 4.15 -1.99 -2.72 115.11 112.65 1c15 h GLN 51 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.57 1c15 h GLN 51 Cb 0.13 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.73 1c15 h GLN 51 CO 0.00 0.00 0.36 -0.09 -1.93 0.00 0.00 178.83 177.17 1c15 h ARG 52 N 0.00 0.50 -0.00 1.69 2.43 -1.94 0.19 114.38 117.25 1c15 h ARG 52 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1c15 h ARG 52 Cb 0.01 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1c15 h ARG 52 CO 0.00 0.33 -0.28 0.00 -1.51 0.00 0.00 179.97 178.51 1c15 n ALA 53 N -2.47 3.07 -0.00 2.80 0.00 -1.03 -3.06 120.51 119.82 1c15 n ALA 53 Ca 0.16 -0.30 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 1c15 n ALA 53 Cb 0.44 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 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 3.29 0.13 0.01 0.00 0.00 -0.76 -3.22 119.26 118.72 1c15 h ALA 54 Ca 0.00 -0.99 -0.21 0.00 0.00 0.00 0.00 54.91 53.71 1c15 h ALA 54 Cb 0.47 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1c15 h ALA 54 CO 0.00 0.68 -0.92 1.98 0.00 0.00 0.00 179.25 180.99 1c15 h MET 55 N -0.44 0.23 -0.55 0.00 -1.53 -1.33 -3.04 114.93 108.26 1c15 h MET 55 Ca -0.26 -0.27 -0.01 0.00 -3.44 0.00 0.00 59.70 55.73 1c15 h MET 55 Cb 1.63 0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 32.74 1c15 h MET 55 CO 0.04 1.00 0.32 1.25 0.14 0.00 0.00 176.91 179.66 1c15 h LEU 56 N 0.12 0.68 -0.31 3.39 7.12 -1.69 0.14 115.31 124.76 1c15 h LEU 56 Ca -0.06 -0.07 -0.03 0.00 0.13 0.00 0.00 57.88 57.86 1c15 h LEU 56 Cb 1.56 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.51 1c15 h LEU 56 CO 0.14 0.55 0.09 0.40 -0.13 0.00 0.00 178.44 179.50 1c15 h ILE 57 N 0.75 1.21 -0.47 4.05 5.03 -1.59 -2.66 117.51 123.82 1c15 h ILE 57 Ca 0.20 -0.67 -0.05 0.00 -0.12 0.00 0.00 64.86 64.21 1c15 h ILE 57 Cb 0.01 1.07 -0.02 0.00 -3.03 0.00 0.00 36.82 34.85 1c15 h ILE 57 CO -0.03 0.23 0.08 0.11 -0.68 0.00 0.00 178.15 177.85 1c15 h LYS 58 N 0.34 0.74 -0.55 2.37 1.57 -1.37 -2.40 116.57 117.26 1c15 h LYS 58 Ca 0.10 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1c15 h LYS 58 Cb 0.26 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1c15 h LYS 58 CO -0.00 0.70 0.36 0.52 -0.57 0.00 0.00 179.45 180.46 1c15 h MET 59 N 0.71 0.71 0.27 3.15 2.86 -0.41 0.40 114.93 122.62 1c15 h MET 59 Ca 0.15 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1c15 h MET 59 Cb 0.32 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1c15 h MET 59 CO 0.00 0.47 -0.14 0.82 1.06 0.00 0.00 176.91 179.13 1c15 h ILE 60 N 0.73 0.72 0.01 -1.22 2.04 -1.10 -2.40 117.51 116.29 1c15 h ILE 60 Ca 0.20 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.83 1c15 h ILE 60 Cb -0.06 0.72 0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1c15 h ILE 60 CO -0.05 0.00 -0.98 -0.07 0.00 0.00 0.00 178.15 177.05 1c15 h LEU 61 N -0.38 0.57 -2.27 1.44 -0.00 -1.51 -3.15 115.31 110.02 1c15 h LEU 61 Ca -0.04 -0.47 0.04 0.00 -0.00 0.00 0.00 57.88 57.42 1c15 h LEU 61 Cb 0.29 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 1c15 h LEU 61 CO 0.06 1.28 0.17 0.11 -0.00 0.00 0.00 178.44 180.05 1c15 h LYS 62 N 0.23 0.00 0.00 1.13 1.79 -0.13 -3.15 116.57 116.45 1c15 h LYS 62 Ca -0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1c15 h LYS 62 Cb 1.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 1c15 h LYS 62 CO 0.17 0.00 -0.13 -0.22 -1.08 0.00 0.00 179.45 178.20 1c15 h LYS 63 N 0.00 0.00 -3.08 3.15 1.63 -1.40 -3.50 116.57 113.36 1c15 h LYS 63 Ca 0.07 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1c15 h LYS 63 Cb 0.40 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 31.94 1c15 h LYS 63 CO -0.00 0.00 0.17 -0.51 -3.45 0.00 0.00 179.45 175.66 1c15 s ASP 64 N -4.46 -0.37 0.26 4.20 1.01 -1.19 -5.04 116.67 111.08 1c15 s ASP 64 Ca -0.04 -0.37 0.20 0.00 0.71 0.00 0.00 52.55 53.06 1c15 s ASP 64 Cb 0.01 0.65 0.08 0.00 1.01 0.00 0.00 42.92 44.67 1c15 s ASP 64 CO 0.05 -1.14 1.25 0.78 0.21 0.00 0.00 175.17 176.32 1c15 h ASN 65 N 2.05 0.00 -0.54 0.27 4.21 -1.85 -3.32 115.58 116.41 1c15 h ASN 65 Ca -0.27 0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.34 1c15 h ASN 65 Cb 1.27 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.44 1c15 h ASN 65 CO 0.32 0.21 0.36 0.44 -1.29 0.00 0.00 177.43 177.47 1c15 h ASP 66 N 0.00 0.28 0.45 5.81 3.32 -1.96 -0.41 116.42 123.91 1c15 h ASP 66 Ca -0.03 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.87 1c15 h ASP 66 Cb 1.19 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1c15 h ASP 66 CO 0.02 0.17 -0.68 -1.28 -1.72 0.00 0.00 179.24 175.75 1c15 h SER 67 N 0.32 0.24 -0.28 6.45 0.87 -1.88 -2.77 113.55 116.50 1c15 h SER 67 Ca 0.25 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1c15 h SER 67 Cb 0.56 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1c15 h SER 67 CO -0.06 0.84 0.10 0.22 -0.53 0.00 0.00 176.83 177.41 1c15 h TYR 68 N 0.14 0.43 -0.42 2.24 3.20 -1.25 -0.49 116.97 120.82 1c15 h TYR 68 Ca -0.02 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 1c15 h TYR 68 Cb 1.22 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 1c15 h TYR 68 CO 0.02 0.45 0.08 0.28 -1.64 0.00 0.00 178.16 177.35 1c15 h VAL 69 N 0.29 1.24 -0.54 1.81 2.07 -1.51 -2.79 116.25 116.82 1c15 h VAL 69 Ca 0.09 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1c15 h VAL 69 Cb 0.20 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1c15 h VAL 69 CO -0.01 0.30 0.21 -1.28 0.02 0.00 0.00 177.57 176.81 1c15 h SER 70 N 0.55 0.71 -0.89 0.57 0.87 -1.35 -2.14 113.55 111.87 1c15 h SER 70 Ca 0.13 -0.09 0.16 0.00 -1.23 0.00 0.00 61.79 60.75 1c15 h SER 70 Cb 0.36 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 62.06 1c15 h SER 70 CO 0.01 0.65 0.58 0.15 -0.53 0.00 0.00 176.83 177.68 1c15 h PHE 71 N 0.77 0.77 -0.52 2.24 3.57 -0.80 0.32 116.94 123.29 1c15 h PHE 71 Ca 0.18 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1c15 h PHE 71 Cb 0.17 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1c15 h PHE 71 CO 0.01 0.27 0.18 -0.92 -2.23 0.00 0.00 178.31 175.62 1c15 h TYR 72 N 0.64 0.82 0.00 0.41 3.20 -1.37 -2.71 116.97 117.97 1c15 h TYR 72 Ca 0.45 -0.07 -0.13 0.00 3.14 0.00 0.00 58.73 62.12 1c15 h TYR 72 Cb 0.81 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1c15 h TYR 72 CO -0.00 0.69 -0.62 -0.97 -1.64 0.00 0.00 178.16 175.62 1c15 h ASN 73 N 0.71 0.00 0.15 -2.11 -0.00 -1.07 -3.07 115.58 110.20 1c15 h ASN 73 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.46 1c15 h ASN 73 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.56 1c15 h ASN 73 CO -0.01 0.62 -0.07 0.00 -0.00 0.00 0.00 177.43 177.97 1c15 h ALA 74 N 1.38 -0.20 -0.57 1.57 0.00 -0.15 -1.55 119.26 119.75 1c15 h ALA 74 Ca -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1c15 h ALA 74 Cb 1.30 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1c15 h ALA 74 CO 0.08 -0.59 0.01 -0.07 0.00 0.00 0.00 179.25 178.68 1c15 h LEU 75 N -0.23 0.94 -0.97 0.00 3.38 -1.58 -2.17 115.31 114.68 1c15 h LEU 75 Ca -0.02 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1c15 h LEU 75 Cb 0.18 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1c15 h LEU 75 CO 0.03 0.99 0.00 0.18 0.09 0.00 0.00 178.44 179.74 1c15 n LEU 76 N -4.19 0.68 0.22 1.67 4.77 -1.09 -2.60 117.00 116.45 1c15 n LEU 76 Ca 0.03 0.71 0.17 0.00 -0.03 0.00 0.00 56.01 56.89 1c15 n LEU 76 Cb 0.32 -0.66 0.85 0.00 -2.33 0.00 0.00 43.42 41.61 1c15 n LEU 76 CO 0.43 -0.70 1.15 -0.74 -1.33 0.00 0.00 177.39 176.20 1c15 h HIS 77 N 0.00 0.00 0.00 -1.77 2.76 -0.60 -3.36 115.15 112.18 1c15 h HIS 77 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1c15 h HIS 77 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1c15 h HIS 77 CO 0.00 0.00 0.00 0.39 -1.30 0.00 0.00 177.93 177.02 1c15 n GLU 78 N -3.73 0.00 -2.68 5.26 1.02 -1.07 -5.05 120.64 114.39 1c15 n GLU 78 Ca 0.01 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.10 1c15 n GLU 78 Cb 0.30 -0.09 0.11 0.00 -0.02 0.00 0.00 31.44 31.74 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 3.11 -0.98 0.52 0.62 0.00 -1.23 -5.00 105.19 102.23 1c15 n GLY 79 Ca 0.00 0.66 0.07 0.00 0.00 0.00 0.00 46.02 46.75 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 0.50 0.48 -0.48 1.61 4.02 -1.18 -4.71 117.16 117.39 1c15 n TYR 80 Ca -0.03 -0.77 0.43 0.00 -0.01 0.00 0.00 57.90 57.52 1c15 n TYR 80 Cb 0.74 -0.17 0.78 0.00 -0.02 0.00 0.00 39.34 40.67 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 1.17 0.00 0.61 -0.72 3.64 -1.90 0.83 116.57 120.19 1c15 h LYS 81 Ca 0.00 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1c15 h LYS 81 Cb 1.05 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1c15 h LYS 81 CO 0.09 0.00 -0.29 -0.44 -2.27 0.00 0.00 179.45 176.54 1c15 h ASP 82 N 0.00 -0.69 -0.17 4.20 3.32 -2.00 -1.18 116.42 119.91 1c15 h ASP 82 Ca 0.72 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.65 1c15 h ASP 82 Cb 2.89 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 42.61 1c15 h ASP 82 CO -0.01 -0.30 -0.41 0.25 -1.72 0.00 0.00 179.24 177.05 1c15 h LEU 83 N -1.20 0.76 -1.83 1.55 6.46 -1.47 -2.83 115.31 116.75 1c15 h LEU 83 Ca -0.08 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.31 1c15 h LEU 83 Cb 0.62 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.34 1c15 h LEU 83 CO 0.14 1.07 -0.10 0.00 -0.62 0.00 0.00 178.44 178.93 1c15 h ALA 84 N 0.96 1.79 -0.12 1.25 0.00 0.53 -1.78 119.26 121.89 1c15 h ALA 84 Ca 0.05 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1c15 h ALA 84 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1c15 h ALA 84 CO 0.09 0.13 -0.48 0.00 0.00 0.00 0.00 179.25 178.99 1c15 h ALA 85 N 1.90 0.97 -0.18 0.00 0.00 -0.95 -1.53 119.26 119.47 1c15 h ALA 85 Ca -0.00 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1c15 h ALA 85 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1c15 h ALA 85 CO 0.01 0.65 0.09 1.25 0.00 0.00 0.00 179.25 181.24 1c15 h LEU 86 N 0.24 0.13 -0.32 0.00 7.12 -1.29 0.38 115.31 121.56 1c15 h LEU 86 Ca 0.01 0.01 -0.19 0.00 0.13 0.00 0.00 57.88 57.84 1c15 h LEU 86 Cb 0.93 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 1c15 h LEU 86 CO 0.08 0.10 -0.68 -0.07 -0.13 0.00 0.00 178.44 177.74 1c15 h LEU 87 N 0.19 0.77 0.10 2.25 3.38 -1.54 -3.10 115.31 117.36 1c15 h LEU 87 Ca 0.07 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1c15 h LEU 87 Cb 0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1c15 h LEU 87 CO -0.05 1.24 -0.05 -0.74 0.09 0.00 0.00 178.44 178.93 1c15 h HIS 88 N 0.48 -0.13 -0.00 1.13 2.76 -0.98 -1.52 115.15 116.89 1c15 h HIS 88 Ca -0.02 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1c15 h HIS 88 Cb 1.27 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.28 1c15 h HIS 88 CO 0.07 -0.05 0.02 -0.44 -1.30 0.00 0.00 177.93 176.23 1c15 h ASP 89 N -0.17 0.00 -0.12 3.26 5.19 -0.98 0.13 116.42 123.73 1c15 h ASP 89 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1c15 h ASP 89 Cb 0.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1c15 h ASP 89 CO 0.02 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.75 1c15 n GLY 90 N -1.09 0.57 0.11 2.75 0.00 -0.61 -4.17 105.19 102.75 1c15 n GLY 90 Ca -0.03 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 3.13 0.34 0.00 -0.61 1.08 -0.31 -3.39 117.51 117.75 1c15 h ILE 91 Ca 0.00 -1.08 0.00 0.00 -0.39 0.00 0.00 64.86 63.39 1c15 h ILE 91 Cb 0.68 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 1c15 h ILE 91 CO 0.00 0.11 0.00 -0.81 -0.69 0.00 0.00 178.15 176.76 1c15 n PRO 92 N -4.87 0.00 -4.02 2.37 -0.04 -1.26 -3.44 135.00 123.74 1c15 n PRO 92 Ca -0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.32 1c15 n PRO 92 Cb 0.15 -0.54 -0.07 0.00 -0.04 0.00 0.00 33.50 33.00 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 -0.24 0.03 -0.01 0.52 1.01 -1.26 -4.70 120.40 115.76 1c15 s VAL 93 Ca 0.00 -1.52 -0.14 0.00 0.00 0.00 0.00 61.98 60.32 1c15 s VAL 93 Cb 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 36.38 34.21 1c15 s VAL 93 CO 0.00 -0.15 0.79 0.58 0.00 0.00 0.00 175.10 176.33 1c15 h VAL 94 N 2.47 0.00 0.00 2.92 2.07 -1.92 -3.42 116.25 118.37 1c15 h VAL 94 Ca -0.31 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1c15 h VAL 94 Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1c15 h VAL 94 CO 0.45 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.80 1c15 n SER 95 N -4.17 0.00 0.00 0.57 2.88 -1.26 -5.01 113.62 106.64 1c15 n SER 95 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1c15 n SER 95 Cb 0.20 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1c15 n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1c15 n SER 96 N -2.33 1.05 -0.20 -3.46 7.64 -1.26 -5.27 113.62 109.80 1c15 n SER 96 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1c15 n SER 96 Cb 0.00 0.00 0.77 0.00 -1.01 0.00 0.00 64.21 63.97 1c15 n SER 96 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79