#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 3.88 0.36 6.12 1.47 -1.26 -4.93 116.67 122.31 1c15 s ASP 2 Ca 0.00 1.76 0.19 0.00 1.18 0.00 0.00 52.55 55.69 1c15 s ASP 2 Cb 0.00 -2.42 0.53 0.00 -0.34 0.00 0.00 42.92 40.69 1c15 s ASP 2 CO 0.00 -2.43 1.66 0.00 0.68 0.00 0.00 175.17 175.08 1c15 h ALA 3 N -1.40 0.89 -0.50 2.11 0.00 -1.99 -3.17 119.26 115.20 1c15 h ALA 3 Ca -0.46 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.12 1c15 h ALA 3 Cb 1.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1c15 h ALA 3 CO 0.51 0.46 0.33 -0.22 0.00 0.00 0.00 179.25 180.34 1c15 h LYS 4 N 0.00 0.66 -0.96 0.00 3.64 -1.91 -2.06 116.57 115.94 1c15 h LYS 4 Ca -0.00 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1c15 h LYS 4 Cb 1.03 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.65 1c15 h LYS 4 CO 0.05 0.44 0.63 0.00 -2.27 0.00 0.00 179.45 178.30 1c15 h ALA 5 N 1.69 1.36 -0.12 5.00 0.00 -1.67 -1.06 119.26 124.45 1c15 h ALA 5 Ca 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1c15 h ALA 5 Cb -0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1c15 h ALA 5 CO -0.04 0.57 -0.17 -0.09 0.00 0.00 0.00 179.25 179.52 1c15 h ARG 6 N 1.24 0.20 0.00 0.00 2.43 -1.54 -2.10 114.38 114.61 1c15 h ARG 6 Ca 0.37 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.37 1c15 h ARG 6 Cb -0.06 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1c15 h ARG 6 CO -0.10 0.37 -0.57 -0.91 -1.51 0.00 0.00 179.97 177.26 1c15 h ASN 7 N 0.19 0.00 0.06 -3.80 -0.26 -1.13 -3.17 115.58 107.47 1c15 h ASN 7 Ca 0.04 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1c15 h ASN 7 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1c15 h ASN 7 CO 0.03 0.57 -0.03 0.00 -1.06 0.00 0.00 177.43 176.94 1c15 h LEU 9 N -0.18 0.96 -0.71 0.00 7.12 -1.58 -1.29 115.31 119.63 1c15 h LEU 9 Ca -0.01 -0.02 -0.14 0.00 0.13 0.00 0.00 57.88 57.85 1c15 h LEU 9 Cb 0.15 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.04 1c15 h LEU 9 CO 0.01 0.68 -0.63 -0.07 -0.13 0.00 0.00 178.44 178.30 1c15 h LEU 10 N 1.13 0.07 -0.10 2.25 3.38 -1.45 -2.82 115.31 117.76 1c15 h LEU 10 Ca 0.33 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1c15 h LEU 10 Cb -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1c15 h LEU 10 CO -0.09 0.68 -0.05 1.67 0.09 0.00 0.00 178.44 180.75 1c15 n GLN 11 N -3.81 0.60 -1.08 1.13 7.27 0.61 -3.66 117.38 118.45 1c15 n GLN 11 Ca -0.01 -0.10 -0.23 0.00 0.07 0.00 0.00 57.00 56.72 1c15 n GLN 11 Cb 0.63 -1.50 0.11 0.00 2.41 0.00 0.00 30.24 31.89 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 -1.11 2.57 0.03 3.69 -0.00 -0.59 -4.48 115.22 115.33 1c15 n HIS 12 Ca 0.15 -2.03 -0.19 0.00 0.46 0.00 0.00 57.72 56.11 1c15 n HIS 12 Cb 0.24 -1.01 -0.11 0.00 -0.12 0.00 0.00 29.99 29.00 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 1.22 0.60 0.13 1.57 2.43 -1.75 -2.29 114.38 116.29 1c15 h ARG 13 Ca 0.51 -0.64 -0.29 0.00 -0.81 0.00 0.00 59.98 58.75 1c15 h ARG 13 Cb 1.86 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1c15 h ARG 13 CO 1.07 1.25 -1.41 1.49 -1.51 0.00 0.00 179.97 180.85 1c15 h GLU 14 N 0.22 0.28 0.00 0.20 4.81 -1.91 -2.68 114.58 115.49 1c15 h GLU 14 Ca -0.11 -0.47 -0.09 0.00 -0.13 0.00 0.00 59.36 58.56 1c15 h GLU 14 Cb 1.55 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.09 1c15 h GLU 14 CO 0.17 1.18 -0.44 0.00 -0.73 0.00 0.00 179.01 179.19 1c15 h ALA 15 N 0.51 0.85 0.00 2.92 0.00 -1.85 -3.15 119.26 118.54 1c15 h ALA 15 Ca -0.20 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.07 1c15 h ALA 15 Cb 2.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 1c15 h ALA 15 CO 0.19 0.55 -1.31 1.25 0.00 0.00 0.00 179.25 179.93 1c15 h LEU 16 N 0.00 0.00 -1.07 0.00 6.46 -1.49 -2.90 115.31 116.30 1c15 h LEU 16 Ca -0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1c15 h LEU 16 Cb 1.10 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.99 1c15 h LEU 16 CO 0.06 0.93 0.38 -0.08 -0.62 0.00 0.00 178.44 179.11 1c15 h GLU 17 N 0.00 1.04 0.03 1.25 4.81 -1.43 0.48 114.58 120.75 1c15 h GLU 17 Ca -0.14 -0.13 -0.26 0.00 -0.13 0.00 0.00 59.36 58.70 1c15 h GLU 17 Cb 1.83 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.98 1c15 h GLU 17 CO 0.10 0.78 -1.36 -0.22 -0.73 0.00 0.00 179.01 177.57 1c15 h LYS 18 N 1.04 0.07 0.00 1.92 3.64 -1.66 -3.38 116.57 118.19 1c15 h LYS 18 Ca 0.26 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1c15 h LYS 18 Cb 0.06 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1c15 h LYS 18 CO -0.04 0.87 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.47 1c15 h ASP 19 N 0.02 0.00 -3.65 4.20 3.32 -1.27 -3.45 116.42 115.59 1c15 h ASP 19 Ca -0.16 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.19 1c15 h ASP 19 Cb 1.91 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 41.18 1c15 h ASP 19 CO 0.12 0.27 -0.59 -0.63 -1.72 0.00 0.00 179.24 176.70 1c15 s ILE 20 N -1.38 3.87 -0.09 0.35 -1.09 0.16 -5.06 121.20 117.96 1c15 s ILE 20 Ca -0.03 -1.13 -0.06 0.00 -2.23 0.00 0.00 60.65 57.20 1c15 s ILE 20 Cb 0.00 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 1c15 s ILE 20 CO 0.04 -0.21 0.14 -0.54 -1.23 0.00 0.00 174.94 173.14 1c15 s LYS 21 N 1.41 3.40 -0.25 2.79 1.02 -1.26 -4.19 119.74 122.67 1c15 s LYS 21 Ca -0.01 -0.20 -0.07 0.00 0.02 0.00 0.00 55.97 55.72 1c15 s LYS 21 Cb -0.20 -3.14 -0.06 0.00 -0.52 0.00 0.00 37.83 33.91 1c15 s LYS 21 CO 0.03 0.75 0.65 0.25 -0.92 0.00 0.00 175.35 176.11 1c15 n THR 22 N 1.76 0.00 -3.51 2.17 -2.24 -1.26 -4.77 114.28 106.43 1c15 n THR 22 Ca -0.18 -0.03 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 1c15 n THR 22 Cb 0.54 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.69 1c15 n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1c15 n SER 23 N 2.36 -1.44 -0.23 3.42 2.88 -1.26 -4.95 113.62 114.40 1c15 n SER 23 Ca 0.17 -1.99 0.22 0.00 -1.33 0.00 0.00 58.87 55.94 1c15 n SER 23 Cb 0.01 2.40 0.40 0.00 -0.75 0.00 0.00 64.21 66.28 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 -0.34 0.72 0.25 0.66 9.36 -1.26 0.88 117.16 127.43 1c15 n TYR 24 Ca -0.05 0.72 -0.12 0.00 3.32 0.00 0.00 57.90 61.77 1c15 n TYR 24 Cb 0.37 -1.15 -0.06 0.00 -0.63 0.00 0.00 39.34 37.88 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 0.32 117.51 119.91 1c15 h ILE 25 Ca 0.57 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.84 1c15 h ILE 25 Cb 1.57 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1c15 h ILE 25 CO -0.47 0.00 -0.85 0.24 -0.69 0.00 0.00 178.15 176.37 1c15 h MET 26 N -0.72 0.32 0.77 2.37 2.86 -1.13 -3.08 114.93 116.32 1c15 h MET 26 Ca -0.06 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.22 1c15 h MET 26 Cb 0.58 0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.33 1c15 h MET 26 CO 0.06 1.00 -0.37 0.22 1.06 0.00 0.00 176.91 178.88 1c15 h ASP 27 N 0.19 -0.88 -0.27 1.22 1.82 0.51 -2.56 116.42 116.46 1c15 h ASP 27 Ca -0.05 0.02 0.08 0.00 -0.39 0.00 0.00 57.03 56.68 1c15 h ASP 27 Cb 1.47 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 41.69 1c15 h ASP 27 CO 0.14 -0.52 0.33 -0.74 -1.61 0.00 0.00 179.24 176.84 1c15 h HIS 28 N -1.23 0.00 -0.19 0.28 2.76 -0.48 -0.15 115.15 116.14 1c15 h HIS 28 Ca -0.11 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.87 1c15 h HIS 28 Cb 0.80 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.77 1c15 h HIS 28 CO -0.00 0.00 -0.66 0.52 -1.30 0.00 0.00 177.93 176.49 1c15 h MET 29 N 0.00 0.73 0.02 5.26 2.86 -1.39 -1.29 114.93 121.11 1c15 h MET 29 Ca 0.13 -0.53 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1c15 h MET 29 Cb 0.79 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1c15 h MET 29 CO -0.00 1.15 -0.01 0.82 1.06 0.00 0.00 176.91 179.93 1c15 h ILE 30 N 0.53 1.04 0.00 -1.22 2.04 -0.63 -2.31 117.51 116.95 1c15 h ILE 30 Ca -0.02 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1c15 h ILE 30 Cb 1.26 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1c15 h ILE 30 CO 0.13 0.04 0.00 0.28 0.00 0.00 0.00 178.15 178.61 1c15 h SER 31 N -0.09 0.00 -0.20 1.72 0.02 -1.58 -3.08 113.55 110.34 1c15 h SER 31 Ca -0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1c15 h SER 31 Cb 0.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1c15 h SER 31 CO 0.00 0.00 0.22 -0.78 -1.14 0.00 0.00 176.83 175.13 1c15 h ASP 32 N 0.00 0.00 0.00 3.07 1.82 -0.63 -3.44 116.42 117.24 1c15 h ASP 32 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1c15 h ASP 32 Cb 0.57 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.58 1c15 h ASP 32 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1c15 n GLY 33 N -1.40 0.72 0.43 -0.78 0.00 -1.19 -5.04 105.19 97.93 1c15 n GLY 33 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.08 -2.61 1.61 0.04 -1.67 -3.45 116.94 109.79 1c15 h PHE 34 Ca 0.00 -0.02 -0.50 0.00 2.80 0.00 0.00 57.97 60.25 1c15 h PHE 34 Cb 0.00 0.38 -0.14 0.00 2.20 0.00 0.00 35.95 38.39 1c15 h PHE 34 CO 0.00 -0.62 -0.67 -0.51 -0.60 0.00 0.00 178.31 175.91 1c15 s LEU 35 N -8.95 2.48 1.24 1.54 1.02 -1.17 -4.97 118.68 109.88 1c15 s LEU 35 Ca -0.16 -1.21 -0.17 0.00 0.02 0.00 0.00 54.13 52.61 1c15 s LEU 35 Cb 0.02 -0.64 0.27 0.00 0.02 0.00 0.00 46.19 45.86 1c15 s LEU 35 CO 0.49 -0.35 0.69 0.35 0.02 0.00 0.00 176.35 177.55 1c15 n THR 36 N -0.61 0.00 0.14 5.49 -2.24 -1.26 -4.47 114.28 111.33 1c15 n THR 36 Ca -0.05 -0.28 0.09 0.00 -2.27 0.00 0.00 64.05 61.54 1c15 n THR 36 Cb 0.64 -0.86 0.05 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.87 0.18 -0.15 2.28 5.03 -1.96 -3.31 117.51 116.71 1c15 h ILE 37 Ca -0.51 -1.29 0.04 0.00 -0.12 0.00 0.00 64.86 62.98 1c15 h ILE 37 Cb 1.28 1.86 -0.01 0.00 -3.03 0.00 0.00 36.82 36.93 1c15 h ILE 37 CO 0.37 0.10 0.14 0.28 -0.68 0.00 0.00 178.15 178.36 1c15 h SER 38 N 0.00 0.00 -0.87 1.72 0.02 -1.99 -1.44 113.55 110.98 1c15 h SER 38 Ca -0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1c15 h SER 38 Cb 1.13 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.63 1c15 h SER 38 CO 0.01 0.00 0.45 -0.08 -1.14 0.00 0.00 176.83 176.07 1c15 h GLU 39 N 0.00 1.24 -0.20 3.45 4.81 -1.94 -2.05 114.58 119.90 1c15 h GLU 39 Ca 0.07 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1c15 h GLU 39 Cb 0.35 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1c15 h GLU 39 CO -0.00 0.93 0.02 1.49 -0.73 0.00 0.00 179.01 180.72 1c15 h GLU 40 N 1.24 0.28 -0.07 1.92 4.81 -1.50 -1.69 114.58 119.57 1c15 h GLU 40 Ca 0.30 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1c15 h GLU 40 Cb 0.08 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1c15 h GLU 40 CO -0.04 0.29 -0.53 1.49 -0.73 0.00 0.00 179.01 179.49 1c15 h GLU 41 N 0.28 0.19 0.11 1.92 4.81 -1.41 -2.57 114.58 117.91 1c15 h GLU 41 Ca 0.07 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1c15 h GLU 41 Cb 0.16 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1c15 h GLU 41 CO 0.00 0.68 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.69 1c15 h LYS 42 N 0.15 -0.14 -0.80 1.92 3.64 -1.08 -3.27 116.57 116.99 1c15 h LYS 42 Ca 0.00 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.57 1c15 h LYS 42 Cb 0.99 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.79 1c15 h LYS 42 CO 0.08 0.30 0.54 0.28 -2.27 0.00 0.00 179.45 178.37 1c15 h VAL 43 N -0.93 0.73 -1.12 2.00 2.07 -1.41 0.82 116.25 118.42 1c15 h VAL 43 Ca -0.02 -0.12 0.32 0.00 0.82 0.00 0.00 66.70 67.70 1c15 h VAL 43 Cb 0.51 0.35 -0.11 0.00 -1.52 0.00 0.00 31.29 30.52 1c15 h VAL 43 CO 0.03 0.06 0.71 -0.09 0.02 0.00 0.00 177.57 178.30 1c15 h ARG 44 N 0.35 0.29 0.00 1.57 2.43 -1.50 -3.02 114.38 114.50 1c15 h ARG 44 Ca 0.40 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.54 1c15 h ARG 44 Cb 1.03 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1c15 h ARG 44 CO -0.12 0.19 -0.43 0.09 -1.51 0.00 0.00 179.97 178.19 1c15 n ASN 45 N -4.68 0.05 -0.06 -3.80 4.13 -0.50 -4.93 115.26 105.47 1c15 n ASN 45 Ca 0.29 -1.81 -0.05 0.00 1.68 0.00 0.00 54.58 54.69 1c15 n ASN 45 Cb 1.04 -0.16 -0.04 0.00 -1.54 0.00 0.00 39.78 39.08 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 0.06 0.00 -7.43 3.52 4.81 0.74 -3.47 114.58 112.82 1c15 h GLU 46 Ca -0.02 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.75 1c15 h GLU 46 Cb 1.36 0.00 0.15 0.00 0.63 0.00 0.00 28.75 30.88 1c15 h GLU 46 CO 0.00 0.30 0.24 -1.25 -0.73 0.00 0.00 179.01 177.57 1c15 s PRO 47 N -1.85 0.72 0.00 0.92 0.04 -1.26 -5.01 135.00 128.57 1c15 s PRO 47 Ca -0.08 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1c15 s PRO 47 Cb -0.00 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1c15 s PRO 47 CO 0.23 -2.50 0.00 2.41 0.04 0.00 0.00 177.00 177.18 1c15 n THR 48 N -3.99 0.00 -1.32 1.26 -1.04 -1.26 -4.97 114.28 102.97 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 0.58 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 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 -1.80 3.45 0.08 -2.82 1.13 -1.26 -4.93 117.38 111.22 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 0.00 0.00 0.38 0.00 0.11 0.00 0.00 30.24 30.73 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 0.31 -1.09 6.02 -1.26 -2.68 117.38 118.78 1c15 n GLN 50 Ca 0.00 0.42 0.19 0.00 -0.01 0.00 0.00 57.00 57.60 1c15 n GLN 50 Cb 0.00 -1.72 1.00 0.00 1.02 0.00 0.00 30.24 30.54 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 -0.95 -1.09 4.15 -1.99 -2.32 115.11 112.91 1c15 h GLN 51 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.62 1c15 h GLN 51 Cb 0.21 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.82 1c15 h GLN 51 CO 0.00 0.00 0.61 -0.09 -1.93 0.00 0.00 178.83 177.42 1c15 h ARG 52 N 0.00 0.50 0.00 1.69 2.43 -1.88 0.27 114.38 117.38 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 0.24 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1c15 h ARG 52 CO 0.00 0.33 -0.54 0.00 -1.51 0.00 0.00 179.97 178.25 1c15 h ALA 53 N 1.61 0.70 0.10 2.80 0.00 -1.71 -3.13 119.26 119.64 1c15 h ALA 53 Ca 0.51 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 55.13 1c15 h ALA 53 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1c15 h ALA 53 CO -0.24 0.00 -1.42 0.00 0.00 0.00 0.00 179.25 177.59 1c15 h ALA 54 N 2.20 0.28 0.02 0.00 0.00 -0.68 -3.21 119.26 117.88 1c15 h ALA 54 Ca 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 54.91 53.78 1c15 h ALA 54 Cb 0.90 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1c15 h ALA 54 CO 0.00 1.15 -0.27 1.98 0.00 0.00 0.00 179.25 182.11 1c15 h MET 55 N 0.06 0.14 -0.95 0.00 -1.53 -1.11 -3.07 114.93 108.48 1c15 h MET 55 Ca -0.20 -0.19 0.09 0.00 -3.44 0.00 0.00 59.70 55.97 1c15 h MET 55 Cb 1.98 0.06 -0.07 0.00 -0.55 0.00 0.00 31.60 33.01 1c15 h MET 55 CO 0.16 0.99 0.59 1.25 0.14 0.00 0.00 176.91 180.04 1c15 h LEU 56 N -0.61 0.89 -1.43 3.39 5.85 -1.70 0.42 115.31 122.11 1c15 h LEU 56 Ca -0.04 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1c15 h LEU 56 Cb 1.10 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1c15 h LEU 56 CO 0.05 0.52 -0.25 0.40 -0.34 0.00 0.00 178.44 178.82 1c15 h ILE 57 N 1.00 0.82 -0.04 4.05 5.03 -1.64 -3.05 117.51 123.68 1c15 h ILE 57 Ca 0.44 -1.01 -0.02 0.00 -0.12 0.00 0.00 64.86 64.15 1c15 h ILE 57 Cb 0.34 1.61 -0.00 0.00 -3.03 0.00 0.00 36.82 35.73 1c15 h ILE 57 CO -0.23 0.25 -0.06 0.11 -0.68 0.00 0.00 178.15 177.54 1c15 h LYS 58 N 0.00 0.11 -0.74 2.37 1.57 -0.82 -3.05 116.57 116.01 1c15 h LYS 58 Ca -0.00 -0.07 0.21 0.00 -1.87 0.00 0.00 60.65 58.92 1c15 h LYS 58 Cb 0.59 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1c15 h LYS 58 CO 0.03 0.62 0.53 0.52 -0.57 0.00 0.00 179.45 180.58 1c15 h MET 59 N -0.39 0.04 0.25 3.15 2.86 -1.33 1.06 114.93 120.57 1c15 h MET 59 Ca 0.00 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1c15 h MET 59 Cb 0.62 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1c15 h MET 59 CO 0.01 0.03 -0.12 0.82 1.06 0.00 0.00 176.91 178.71 1c15 h ILE 60 N 0.05 0.81 0.00 -1.22 2.04 -1.51 -2.87 117.51 114.81 1c15 h ILE 60 Ca 0.35 -0.38 -0.17 0.00 1.00 0.00 0.00 64.86 65.67 1c15 h ILE 60 Cb 1.35 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 1c15 h ILE 60 CO -0.02 0.08 -0.90 -0.07 0.00 0.00 0.00 178.15 177.24 1c15 h LEU 61 N -0.53 0.00 -1.97 1.44 -0.00 -1.28 -3.28 115.31 109.70 1c15 h LEU 61 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1c15 h LEU 61 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1c15 h LEU 61 CO 0.06 0.73 -0.04 0.11 -0.00 0.00 0.00 178.44 179.30 1c15 h LYS 62 N 0.00 0.00 0.10 1.13 1.79 0.11 -3.21 116.57 116.49 1c15 h LYS 62 Ca -0.05 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1c15 h LYS 62 Cb 1.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 1c15 h LYS 62 CO 0.09 0.04 -0.05 -0.22 -1.08 0.00 0.00 179.45 178.22 1c15 h LYS 63 N 0.00 -0.13 -2.97 3.15 3.11 -1.57 -3.50 116.57 114.66 1c15 h LYS 63 Ca -0.00 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.92 1c15 h LYS 63 Cb 0.06 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.27 1c15 h LYS 63 CO 0.00 -0.09 0.24 -0.51 -2.81 0.00 0.00 179.45 176.29 1c15 s ASP 64 N -4.00 -0.26 0.37 4.20 1.01 -1.21 -5.03 116.67 111.75 1c15 s ASP 64 Ca -0.02 -0.60 0.20 0.00 0.71 0.00 0.00 52.55 52.84 1c15 s ASP 64 Cb 0.00 0.72 0.23 0.00 1.01 0.00 0.00 42.92 44.88 1c15 s ASP 64 CO 0.06 -1.33 1.52 0.78 0.21 0.00 0.00 175.17 176.41 1c15 h ASN 65 N 2.00 0.00 -0.88 0.27 -0.26 -1.88 -3.28 115.58 111.55 1c15 h ASN 65 Ca -0.19 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.54 1c15 h ASN 65 Cb 1.25 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.47 1c15 h ASN 65 CO 0.23 0.17 0.52 0.44 -1.06 0.00 0.00 177.43 177.73 1c15 h ASP 66 N 0.00 1.07 0.01 5.81 3.32 -1.96 -1.50 116.42 123.17 1c15 h ASP 66 Ca -0.00 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1c15 h ASP 66 Cb 1.13 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 1c15 h ASP 66 CO 0.02 0.83 -0.00 -1.28 -1.72 0.00 0.00 179.24 177.09 1c15 h SER 67 N 1.22 0.00 0.01 6.45 0.87 -1.85 -1.40 113.55 118.86 1c15 h SER 67 Ca 0.32 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.73 1c15 h SER 67 Cb -0.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1c15 h SER 67 CO -0.06 0.00 -0.48 0.22 -0.53 0.00 0.00 176.83 175.99 1c15 h TYR 68 N 0.00 0.66 -0.28 2.24 3.20 -1.44 -2.50 116.97 118.85 1c15 h TYR 68 Ca -0.00 -0.21 -0.15 0.00 3.14 0.00 0.00 58.73 61.51 1c15 h TYR 68 Cb 0.01 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1c15 h TYR 68 CO 0.00 0.92 -0.39 0.28 -1.64 0.00 0.00 178.16 177.32 1c15 h VAL 69 N 0.43 1.30 -0.53 1.81 2.07 -1.19 -3.11 116.25 117.03 1c15 h VAL 69 Ca 0.02 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 65.91 1c15 h VAL 69 Cb 1.00 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1c15 h VAL 69 CO 0.09 0.51 0.12 -1.28 0.02 0.00 0.00 177.57 177.03 1c15 h SER 70 N 0.51 0.76 -0.89 0.57 0.87 -1.42 -2.52 113.55 111.43 1c15 h SER 70 Ca 0.03 -0.13 0.07 0.00 -1.23 0.00 0.00 61.79 60.53 1c15 h SER 70 Cb 0.99 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.69 1c15 h SER 70 CO 0.09 0.75 0.58 0.15 -0.53 0.00 0.00 176.83 177.86 1c15 h PHE 71 N 0.78 1.00 -0.49 2.24 3.04 -1.38 0.20 116.94 122.33 1c15 h PHE 71 Ca 0.17 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 1c15 h PHE 71 Cb 0.29 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 1c15 h PHE 71 CO 0.02 0.51 0.14 -0.92 -2.02 0.00 0.00 178.31 176.04 1c15 h TYR 72 N 0.97 0.81 0.00 0.41 3.20 -1.44 -2.70 116.97 118.22 1c15 h TYR 72 Ca 0.39 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 62.08 1c15 h TYR 72 Cb 0.26 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1c15 h TYR 72 CO -0.00 0.71 -0.45 -0.97 -1.64 0.00 0.00 178.16 175.81 1c15 h ASN 73 N 0.67 0.00 -0.17 -2.11 -1.24 -1.32 -2.93 115.58 108.47 1c15 h ASN 73 Ca 0.16 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.07 1c15 h ASN 73 Cb 0.29 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 1c15 h ASN 73 CO -0.00 0.45 -0.21 0.00 -1.29 0.00 0.00 177.43 176.38 1c15 h ALA 74 N 1.55 1.03 0.23 1.57 0.00 -0.36 -2.40 119.26 120.88 1c15 h ALA 74 Ca -0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 54.91 54.25 1c15 h ALA 74 Cb 1.19 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.88 1c15 h ALA 74 CO 0.06 0.58 -1.36 -0.07 0.00 0.00 0.00 179.25 178.46 1c15 h LEU 75 N 0.54 0.77 -1.00 0.00 3.38 -1.49 -3.24 115.31 114.26 1c15 h LEU 75 Ca 0.08 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.12 1c15 h LEU 75 Cb 0.66 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1c15 h LEU 75 CO 0.05 1.65 0.00 0.18 0.09 0.00 0.00 178.44 180.41 1c15 n LEU 76 N -3.80 0.67 0.29 1.67 4.77 -1.11 -2.33 117.00 117.15 1c15 n LEU 76 Ca -0.17 0.71 0.17 0.00 -0.03 0.00 0.00 56.01 56.69 1c15 n LEU 76 Cb 1.05 -0.67 0.88 0.00 -2.33 0.00 0.00 43.42 42.35 1c15 n LEU 76 CO 0.58 -0.71 1.06 -0.74 -1.33 0.00 0.00 177.39 176.24 1c15 h HIS 77 N 0.00 0.00 0.00 -1.77 2.76 -1.45 -3.38 115.15 111.31 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 0.25 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.21 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 -3.43 0.00 -1.44 5.26 1.02 -0.99 -5.03 120.64 116.03 1c15 n GLU 78 Ca -0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.11 1c15 n GLU 78 Cb 0.18 -0.12 0.02 0.00 -0.02 0.00 0.00 31.44 31.50 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 2.89 -0.24 1.33 0.62 0.00 -1.21 -4.98 105.19 103.60 1c15 n GLY 79 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.27 1.24 -0.57 1.61 4.01 -1.06 -4.53 117.16 117.58 1c15 n TYR 80 Ca -0.05 -0.47 0.46 0.00 -0.16 0.00 0.00 57.90 57.67 1c15 n TYR 80 Cb 0.52 -0.26 0.75 0.00 -0.31 0.00 0.00 39.34 40.05 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 3.00 0.02 -0.14 -0.72 3.64 -1.90 0.71 116.57 121.19 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 1.28 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1c15 h LYS 81 CO 0.23 0.02 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.96 1c15 h ASP 82 N 0.02 0.27 0.07 4.20 3.32 -1.99 0.13 116.42 122.45 1c15 h ASP 82 Ca 0.86 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 57.55 1c15 h ASP 82 Cb 3.18 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 42.66 1c15 h ASP 82 CO -0.18 0.57 -0.03 0.25 -1.72 0.00 0.00 179.24 178.13 1c15 h LEU 83 N -0.04 -0.08 -1.97 1.55 7.12 -0.02 -3.08 115.31 118.80 1c15 h LEU 83 Ca 0.04 -0.42 -0.00 0.00 0.13 0.00 0.00 57.88 57.62 1c15 h LEU 83 Cb 0.45 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.60 1c15 h LEU 83 CO 0.01 0.40 -0.01 0.00 -0.13 0.00 0.00 178.44 178.72 1c15 h ALA 84 N 0.26 1.98 -0.88 1.25 0.00 -1.07 -2.07 119.26 118.73 1c15 h ALA 84 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1c15 h ALA 84 Cb 0.50 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1c15 h ALA 84 CO 0.02 0.02 0.57 0.00 0.00 0.00 0.00 179.25 179.86 1c15 h ALA 85 N 1.98 1.16 -0.64 0.00 0.00 -0.63 0.15 119.26 121.27 1c15 h ALA 85 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1c15 h ALA 85 Cb 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1c15 h ALA 85 CO 0.00 0.43 0.36 1.25 0.00 0.00 0.00 179.25 181.29 1c15 h LEU 86 N 1.12 0.80 -0.69 0.00 6.46 -1.36 0.63 115.31 122.26 1c15 h LEU 86 Ca 0.35 -0.09 -0.14 0.00 -0.12 0.00 0.00 57.88 57.89 1c15 h LEU 86 Cb -0.01 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 1c15 h LEU 86 CO -0.11 0.65 -0.49 -0.07 -0.62 0.00 0.00 178.44 177.80 1c15 h LEU 87 N 0.88 0.45 -0.21 2.25 4.07 -1.41 -2.80 115.31 118.53 1c15 h LEU 87 Ca 0.23 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1c15 h LEU 87 Cb 0.03 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1c15 h LEU 87 CO -0.04 0.87 0.00 -0.74 -1.08 0.00 0.00 178.44 177.45 1c15 h HIS 88 N 0.33 0.00 0.00 1.13 2.76 -0.55 -2.17 115.15 116.65 1c15 h HIS 88 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1c15 h HIS 88 Cb 0.98 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.94 1c15 h HIS 88 CO 0.03 0.00 -0.39 -0.25 -1.30 0.00 0.00 177.93 176.02 1c15 n ASP 89 N -2.56 0.76 -0.02 3.26 9.92 0.18 -3.95 116.55 124.14 1c15 n ASP 89 Ca 0.04 0.30 0.03 0.00 -0.53 0.00 0.00 54.79 54.63 1c15 n ASP 89 Cb 0.42 -0.21 -0.09 0.00 -0.64 0.00 0.00 41.12 40.60 1c15 n ASP 89 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c15 n GLY 90 N 1.32 -0.52 0.41 0.44 0.00 -1.17 -4.27 105.19 101.40 1c15 n GLY 90 Ca 0.04 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 0.26 0.00 -0.61 2.04 -1.52 -3.38 117.51 114.31 1c15 h ILE 91 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1c15 h ILE 91 Cb 0.84 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1c15 h ILE 91 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.34 1c15 n PRO 92 N -5.53 0.00 -4.17 2.37 -0.04 -1.26 -3.95 135.00 122.43 1c15 n PRO 92 Ca -0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 1c15 n PRO 92 Cb 0.41 -0.48 -0.10 0.00 -0.04 0.00 0.00 33.50 33.29 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 -0.23 0.06 -0.02 0.52 1.01 -1.26 -4.89 120.40 115.58 1c15 s VAL 93 Ca 0.00 -1.94 0.04 0.00 0.00 0.00 0.00 61.98 60.07 1c15 s VAL 93 Cb 0.00 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1c15 s VAL 93 CO 0.00 -0.27 0.05 0.52 0.00 0.00 0.00 175.10 175.40 1c15 n VAL 94 N -0.17 0.16 0.00 2.92 0.31 -1.26 -4.34 118.33 115.94 1c15 n VAL 94 Ca -0.02 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1c15 n VAL 94 Cb 0.65 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 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 -1.94 0.00 -0.29 4.52 2.88 -1.26 -4.32 113.62 113.21 1c15 n SER 95 Ca -0.04 0.39 -0.01 0.00 -1.33 0.00 0.00 58.87 57.88 1c15 n SER 95 Cb 0.41 -0.42 0.17 0.00 -0.75 0.00 0.00 64.21 63.62 1c15 n SER 95 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1c15 h SER 96 N 0.00 1.01 0.00 -3.46 4.64 -2.01 -3.56 113.55 110.17 1c15 h SER 96 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1c15 h SER 96 Cb 0.00 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 1c15 h SER 96 CO 0.00 0.76 0.00 -0.24 -0.87 0.00 0.00 176.83 176.48