#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 5.83 0.12 7.83 -4.77 -1.26 -4.93 116.67 119.48 1c15 s ASP 2 Ca 0.00 -1.46 -0.08 0.00 -3.30 0.00 0.00 52.55 47.71 1c15 s ASP 2 Cb 0.00 -2.06 -0.12 0.00 -1.09 0.00 0.00 42.92 39.65 1c15 s ASP 2 CO 0.00 -0.59 1.30 0.00 0.70 0.00 0.00 175.17 176.58 1c15 h ALA 3 N 8.54 0.33 -0.92 2.11 0.00 -1.99 -3.02 119.26 124.31 1c15 h ALA 3 Ca -0.25 -0.66 0.04 0.00 0.00 0.00 0.00 54.91 54.04 1c15 h ALA 3 Cb 1.09 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1c15 h ALA 3 CO 0.81 0.74 0.59 -0.22 0.00 0.00 0.00 179.25 181.17 1c15 h LYS 4 N 0.35 1.08 -0.44 0.00 3.64 -1.92 0.14 116.57 119.42 1c15 h LYS 4 Ca -0.08 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1c15 h LYS 4 Cb 1.53 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1c15 h LYS 4 CO 0.17 0.72 -0.17 0.00 -2.27 0.00 0.00 179.45 177.89 1c15 h ALA 5 N 1.39 0.62 -0.17 5.00 0.00 -1.57 -1.90 119.26 122.63 1c15 h ALA 5 Ca 0.38 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1c15 h ALA 5 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1c15 h ALA 5 CO -0.14 0.56 -0.26 -0.09 0.00 0.00 0.00 179.25 179.32 1c15 h ARG 6 N 0.73 0.31 0.00 0.00 2.43 -1.28 -2.63 114.38 113.95 1c15 h ARG 6 Ca 0.10 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1c15 h ARG 6 Cb 0.73 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1c15 h ARG 6 CO 0.06 0.55 -0.59 -0.91 -1.51 0.00 0.00 179.97 177.57 1c15 h ASN 7 N 0.27 0.00 0.82 -3.80 -0.26 -0.79 -3.10 115.58 108.72 1c15 h ASN 7 Ca 0.04 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.74 1c15 h ASN 7 Cb 0.61 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.88 1c15 h ASN 7 CO 0.04 0.59 -0.40 0.00 -1.06 0.00 0.00 177.43 176.61 1c15 h LEU 9 N -1.14 0.50 0.00 0.00 7.12 -1.64 -0.32 115.31 119.83 1c15 h LEU 9 Ca -0.11 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.87 1c15 h LEU 9 Cb 0.85 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.87 1c15 h LEU 9 CO 0.19 0.32 -0.24 -0.07 -0.13 0.00 0.00 178.44 178.51 1c15 h LEU 10 N 0.57 0.00 -4.91 2.25 3.38 -1.40 -3.34 115.31 111.85 1c15 h LEU 10 Ca 0.26 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.61 1c15 h LEU 10 Cb 0.31 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.66 1c15 h LEU 10 CO -0.08 0.12 -0.40 1.67 0.09 0.00 0.00 178.44 179.84 1c15 n GLN 11 N -3.08 3.43 -2.68 1.13 7.27 0.33 -4.68 117.38 119.10 1c15 n GLN 11 Ca 0.03 -4.53 -0.03 0.00 0.07 0.00 0.00 57.00 52.54 1c15 n GLN 11 Cb 0.58 -2.26 0.13 0.00 2.41 0.00 0.00 30.24 31.10 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 -0.39 -2.14 0.08 3.69 -0.00 -1.01 -4.84 115.22 110.61 1c15 n HIS 12 Ca 0.39 -1.77 -0.09 0.00 0.46 0.00 0.00 57.72 56.70 1c15 n HIS 12 Cb 0.51 1.56 0.00 0.00 -0.12 0.00 0.00 29.99 31.94 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 1.25 0.28 -0.60 1.57 2.43 -1.83 -2.28 114.38 115.20 1c15 h ARG 13 Ca -0.41 -0.28 0.03 0.00 -0.81 0.00 0.00 59.98 58.52 1c15 h ARG 13 Cb 1.30 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.89 1c15 h ARG 13 CO -0.16 0.97 0.40 1.49 -1.51 0.00 0.00 179.97 181.16 1c15 h GLU 14 N 0.17 0.69 0.09 0.20 4.81 -1.99 -0.37 114.58 118.19 1c15 h GLU 14 Ca -0.05 -0.04 -0.30 0.00 -0.13 0.00 0.00 59.36 58.84 1c15 h GLU 14 Cb 1.44 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1c15 h GLU 14 CO 0.13 0.46 -1.57 0.00 -0.73 0.00 0.00 179.01 177.31 1c15 h ALA 15 N 1.65 0.37 -0.27 2.92 0.00 -1.96 -3.22 119.26 118.74 1c15 h ALA 15 Ca 0.24 -1.18 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 1c15 h ALA 15 Cb 0.07 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1c15 h ALA 15 CO -0.06 1.23 0.08 1.25 0.00 0.00 0.00 179.25 181.75 1c15 h LEU 16 N 0.05 0.39 -0.59 0.00 7.12 -0.94 -0.83 115.31 120.52 1c15 h LEU 16 Ca -0.25 -0.21 -0.01 0.00 0.13 0.00 0.00 57.88 57.54 1c15 h LEU 16 Cb 2.00 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 42.00 1c15 h LEU 16 CO 0.14 0.50 0.32 -0.08 -0.13 0.00 0.00 178.44 179.19 1c15 h GLU 17 N 0.27 0.82 -0.48 1.25 4.81 -1.16 0.61 114.58 120.70 1c15 h GLU 17 Ca 0.09 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1c15 h GLU 17 Cb 0.25 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1c15 h GLU 17 CO -0.00 0.63 0.01 -0.22 -0.73 0.00 0.00 179.01 178.70 1c15 h LYS 18 N 0.79 0.84 0.00 1.92 3.64 -1.53 -3.36 116.57 118.88 1c15 h LYS 18 Ca 0.21 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1c15 h LYS 18 Cb 0.05 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1c15 h LYS 18 CO -0.03 0.88 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.58 1c15 h ASP 19 N 0.70 0.00 -1.74 4.20 3.32 -0.92 -3.47 116.42 118.50 1c15 h ASP 19 Ca 0.14 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.73 1c15 h ASP 19 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1c15 h ASP 19 CO 0.02 0.26 -0.37 -0.63 -1.72 0.00 0.00 179.24 176.80 1c15 s ILE 20 N -1.29 3.61 -0.17 0.35 -1.09 0.21 -5.08 121.20 117.75 1c15 s ILE 20 Ca -0.00 -1.16 -0.18 0.00 -2.23 0.00 0.00 60.65 57.08 1c15 s ILE 20 Cb 0.00 -3.24 0.05 0.00 -1.58 0.00 0.00 42.46 37.69 1c15 s ILE 20 CO 0.00 -0.13 0.49 -0.54 -1.23 0.00 0.00 174.94 173.53 1c15 s LYS 21 N -4.13 0.60 -0.29 2.79 1.02 -1.26 -3.71 119.74 114.76 1c15 s LYS 21 Ca 0.45 0.60 -0.06 0.00 0.02 0.00 0.00 55.97 56.99 1c15 s LYS 21 Cb -0.08 0.29 -0.08 0.00 -0.52 0.00 0.00 37.83 37.44 1c15 s LYS 21 CO 0.29 -0.09 0.70 0.25 -0.92 0.00 0.00 175.35 175.59 1c15 n THR 22 N 2.62 0.00 -3.61 2.17 -2.24 -1.26 -4.73 114.28 107.23 1c15 n THR 22 Ca -0.14 -0.08 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 1c15 n THR 22 Cb 0.57 -0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.74 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 2.29 -1.16 -0.36 3.42 7.64 -1.26 -5.00 113.62 119.19 1c15 n SER 23 Ca 0.20 -1.70 0.30 0.00 1.01 0.00 0.00 58.87 58.68 1c15 n SER 23 Cb 0.03 1.90 0.49 0.00 -1.01 0.00 0.00 64.21 65.62 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 -0.39 0.38 0.10 1.43 9.36 -1.26 -0.87 117.16 125.91 1c15 n TYR 24 Ca -0.03 0.38 -0.08 0.00 3.32 0.00 0.00 57.90 61.49 1c15 n TYR 24 Cb 0.35 -0.76 -0.05 0.00 -0.63 0.00 0.00 39.34 38.25 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 -1.94 0.41 117.51 120.02 1c15 h ILE 25 Ca 0.62 0.00 -0.25 0.00 -0.39 0.00 0.00 64.86 64.84 1c15 h ILE 25 Cb 2.10 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 35.86 1c15 h ILE 25 CO -0.25 0.00 -0.98 0.24 -0.69 0.00 0.00 178.15 176.47 1c15 h MET 26 N -0.42 0.56 -0.08 2.37 2.86 -1.32 -3.15 114.93 115.75 1c15 h MET 26 Ca -0.02 -0.60 0.02 0.00 -2.06 0.00 0.00 59.70 57.04 1c15 h MET 26 Cb 0.38 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1c15 h MET 26 CO -0.07 1.22 -0.05 0.22 1.06 0.00 0.00 176.91 179.29 1c15 h ASP 27 N 0.32 -0.15 -0.41 1.22 1.82 -0.99 -1.13 116.42 117.10 1c15 h ASP 27 Ca -0.10 0.04 0.04 0.00 -0.39 0.00 0.00 57.03 56.61 1c15 h ASP 27 Cb 1.63 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.70 1c15 h ASP 27 CO 0.18 -0.07 0.27 -0.74 -1.61 0.00 0.00 179.24 177.28 1c15 h HIS 28 N -0.04 0.39 0.48 0.28 2.76 -0.26 -1.18 115.15 117.58 1c15 h HIS 28 Ca 0.05 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1c15 h HIS 28 Cb 0.12 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.95 1c15 h HIS 28 CO -0.16 0.23 -0.23 0.52 -1.30 0.00 0.00 177.93 176.99 1c15 h MET 29 N 0.41 -0.62 -0.26 5.26 2.86 -1.27 0.33 114.93 121.64 1c15 h MET 29 Ca 0.17 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.93 1c15 h MET 29 Cb 0.17 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1c15 h MET 29 CO -0.04 -0.33 0.23 0.82 1.06 0.00 0.00 176.91 178.65 1c15 h ILE 30 N -1.06 0.60 0.00 -1.22 2.04 -1.03 0.42 117.51 117.26 1c15 h ILE 30 Ca -0.07 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 1c15 h ILE 30 Cb 0.57 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1c15 h ILE 30 CO 0.11 0.00 -1.06 0.28 0.00 0.00 0.00 178.15 177.48 1c15 h SER 31 N 0.00 0.00 -0.02 1.72 0.02 -1.10 -3.13 113.55 111.04 1c15 h SER 31 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1c15 h SER 31 Cb 0.59 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1c15 h SER 31 CO -0.00 0.26 0.02 -0.78 -1.14 0.00 0.00 176.83 175.19 1c15 h ASP 32 N 0.00 0.00 0.00 3.07 1.82 0.20 -3.45 116.42 118.06 1c15 h ASP 32 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1c15 h ASP 32 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1c15 h ASP 32 CO 0.02 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.26 1c15 n GLY 33 N -1.40 0.74 0.14 -0.78 0.00 -1.22 -5.01 105.19 97.66 1c15 n GLY 33 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 0.24 -3.43 1.61 0.04 -1.73 -3.44 116.94 110.22 1c15 h PHE 34 Ca 0.00 0.01 -0.36 0.00 2.80 0.00 0.00 57.97 60.43 1c15 h PHE 34 Cb 0.00 -0.06 -0.14 0.00 2.20 0.00 0.00 35.95 37.94 1c15 h PHE 34 CO 0.00 0.12 -0.66 -0.51 -0.60 0.00 0.00 178.31 176.66 1c15 s LEU 35 N -10.27 2.17 1.05 1.54 1.02 -1.18 -4.90 118.68 108.10 1c15 s LEU 35 Ca -0.13 -1.20 -0.14 0.00 0.02 0.00 0.00 54.13 52.68 1c15 s LEU 35 Cb 0.11 -0.22 0.21 0.00 0.02 0.00 0.00 46.19 46.31 1c15 s LEU 35 CO 0.71 -0.52 1.10 0.42 0.02 0.00 0.00 176.35 178.08 1c15 s THR 36 N -3.48 1.91 -0.42 5.49 -4.23 -1.26 -4.46 115.64 109.20 1c15 s THR 36 Ca 0.27 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.01 1c15 s THR 36 Cb 0.06 -2.52 0.17 0.00 1.34 0.00 0.00 72.50 71.54 1c15 s THR 36 CO 0.07 0.00 1.37 0.40 -0.54 0.00 0.00 174.62 175.93 1c15 h ILE 37 N -2.04 0.00 -0.26 2.99 1.08 -1.97 -3.31 117.51 114.00 1c15 h ILE 37 Ca -0.52 -0.88 0.08 0.00 -0.39 0.00 0.00 64.86 63.15 1c15 h ILE 37 Cb 1.32 1.63 -0.01 0.00 -3.07 0.00 0.00 36.82 36.69 1c15 h ILE 37 CO 0.53 0.00 0.27 0.28 -0.69 0.00 0.00 178.15 178.54 1c15 h SER 38 N 0.00 0.00 0.82 1.72 0.02 -1.98 0.12 113.55 114.26 1c15 h SER 38 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1c15 h SER 38 Cb 0.94 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1c15 h SER 38 CO 0.00 0.00 -0.55 -0.08 -1.14 0.00 0.00 176.83 175.06 1c15 h GLU 39 N 0.00 0.00 -0.23 3.45 4.81 -1.96 -3.13 114.58 117.52 1c15 h GLU 39 Ca 0.12 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.20 1c15 h GLU 39 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1c15 h GLU 39 CO -0.00 0.55 -0.48 1.49 -0.73 0.00 0.00 179.01 179.84 1c15 h GLU 40 N 0.00 0.73 0.00 1.92 4.57 -0.97 -2.17 114.58 118.65 1c15 h GLU 40 Ca -0.01 -0.48 -0.03 0.00 -1.18 0.00 0.00 59.36 57.66 1c15 h GLU 40 Cb 1.10 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1c15 h GLU 40 CO 0.07 1.10 -0.16 1.49 -1.18 0.00 0.00 179.01 180.33 1c15 h GLU 41 N 0.45 0.00 0.00 1.92 4.81 -1.53 -2.32 114.58 117.92 1c15 h GLU 41 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1c15 h GLU 41 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1c15 h GLU 41 CO 0.11 0.16 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.32 1c15 h LYS 42 N 0.00 0.00 -1.10 1.92 3.64 -1.47 -3.33 116.57 116.22 1c15 h LYS 42 Ca -0.00 0.00 0.30 0.00 -1.27 0.00 0.00 60.65 59.68 1c15 h LYS 42 Cb 0.33 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.07 1c15 h LYS 42 CO 0.02 0.00 0.74 0.28 -2.27 0.00 0.00 179.45 178.22 1c15 h VAL 43 N -0.90 0.46 -0.91 2.00 2.07 -1.41 1.00 116.25 118.55 1c15 h VAL 43 Ca 0.00 -0.08 0.24 0.00 0.82 0.00 0.00 66.70 67.69 1c15 h VAL 43 Cb 0.01 0.22 -0.13 0.00 -1.52 0.00 0.00 31.29 29.87 1c15 h VAL 43 CO 0.00 0.04 0.38 -0.09 0.02 0.00 0.00 177.57 177.92 1c15 h ARG 44 N 0.22 0.32 0.00 1.57 2.43 -1.53 -3.25 114.38 114.14 1c15 h ARG 44 Ca 0.59 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.74 1c15 h ARG 44 Cb 1.84 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 1c15 h ARG 44 CO -0.19 0.21 -0.27 0.09 -1.51 0.00 0.00 179.97 178.31 1c15 n ASN 45 N -5.10 0.00 -0.02 -3.80 3.02 -0.34 -4.91 115.26 104.11 1c15 n ASN 45 Ca 0.24 -1.54 -0.16 0.00 -0.03 0.00 0.00 54.58 53.09 1c15 n ASN 45 Cb 0.72 -0.11 -0.13 0.00 -0.61 0.00 0.00 39.78 39.65 1c15 n ASN 45 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1c15 h GLU 46 N 0.00 0.13 -7.55 3.52 4.22 0.93 -3.46 114.58 112.38 1c15 h GLU 46 Ca 0.00 -0.22 -0.46 0.00 0.08 0.00 0.00 59.36 58.76 1c15 h GLU 46 Cb 1.21 0.08 0.12 0.00 0.50 0.00 0.00 28.75 30.66 1c15 h GLU 46 CO 0.00 1.09 0.35 -1.25 -2.18 0.00 0.00 179.01 177.01 1c15 s PRO 47 N -2.40 1.48 0.00 0.92 0.04 -1.26 -5.02 135.00 128.76 1c15 s PRO 47 Ca -0.17 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.08 1c15 s PRO 47 Cb -0.01 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1c15 s PRO 47 CO 0.75 -1.95 0.00 2.41 0.04 0.00 0.00 177.00 178.25 1c15 n THR 48 N -3.58 0.00 -1.80 1.26 -1.04 -1.26 -4.96 114.28 102.89 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 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 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 -2.14 2.88 0.07 -2.82 1.13 -1.26 -4.94 117.38 110.30 1c15 n GLN 49 Ca 0.00 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.13 1c15 n GLN 49 Cb 0.27 0.00 0.34 0.00 0.11 0.00 0.00 30.24 30.96 1c15 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1c15 n GLN 50 N 0.00 0.08 0.34 -1.09 10.64 -1.26 -2.69 117.38 123.39 1c15 n GLN 50 Ca 0.00 0.43 0.18 0.00 -1.83 0.00 0.00 57.00 55.78 1c15 n GLN 50 Cb 0.00 -1.68 0.96 0.00 -0.86 0.00 0.00 30.24 28.66 1c15 n GLN 50 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1c15 h GLN 51 N 0.00 0.00 -1.01 2.61 4.15 -1.99 -2.20 115.11 116.66 1c15 h GLN 51 Ca 0.00 0.00 0.24 0.00 0.77 0.00 0.00 58.65 59.66 1c15 h GLN 51 Cb 0.17 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.77 1c15 h GLN 51 CO 0.00 0.00 0.64 -0.09 -1.93 0.00 0.00 178.83 177.45 1c15 h ARG 52 N 0.00 0.48 0.01 1.69 2.43 -1.88 -0.69 114.38 116.41 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 0.44 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1c15 h ARG 52 CO -0.00 0.32 -0.01 0.00 -1.51 0.00 0.00 179.97 178.77 1c15 h ALA 53 N 1.64 -0.02 -0.62 2.80 0.00 -1.69 -3.08 119.26 118.29 1c15 h ALA 53 Ca 0.59 -0.34 0.18 0.00 0.00 0.00 0.00 54.91 55.34 1c15 h ALA 53 Cb 1.32 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1c15 h ALA 53 CO -0.33 -0.03 0.61 0.00 0.00 0.00 0.00 179.25 179.50 1c15 h ALA 54 N -0.28 2.40 0.00 0.00 0.00 -1.53 0.52 119.26 120.37 1c15 h ALA 54 Ca -0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1c15 h ALA 54 Cb 0.68 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1c15 h ALA 54 CO 0.00 -0.93 -1.03 1.98 0.00 0.00 0.00 179.25 179.27 1c15 h MET 55 N 0.00 0.00 0.00 0.00 -1.53 -1.20 -3.07 114.93 109.13 1c15 h MET 55 Ca 0.29 0.00 -0.11 0.00 -3.44 0.00 0.00 59.70 56.45 1c15 h MET 55 Cb 1.52 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 32.55 1c15 h MET 55 CO -0.00 0.68 -0.59 1.25 0.14 0.00 0.00 176.91 178.39 1c15 h LEU 56 N 0.00 0.00 -1.34 3.39 5.85 0.02 -3.17 115.31 120.06 1c15 h LEU 56 Ca -0.07 -0.69 0.03 0.00 0.84 0.00 0.00 57.88 57.99 1c15 h LEU 56 Cb 1.68 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.67 1c15 h LEU 56 CO 0.09 1.19 0.47 0.40 -0.34 0.00 0.00 178.44 180.25 1c15 h ILE 57 N -1.00 1.11 -0.45 4.05 5.03 -1.13 -1.66 117.51 123.46 1c15 h ILE 57 Ca -0.16 -0.30 -0.10 0.00 -0.12 0.00 0.00 64.86 64.19 1c15 h ILE 57 Cb 1.07 0.17 -0.02 0.00 -3.03 0.00 0.00 36.82 35.02 1c15 h ILE 57 CO -0.10 0.16 -0.11 0.11 -0.68 0.00 0.00 178.15 177.53 1c15 h LYS 58 N 0.86 0.81 0.00 2.37 1.57 -1.68 -2.47 116.57 118.04 1c15 h LYS 58 Ca 0.28 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1c15 h LYS 58 Cb 0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1c15 h LYS 58 CO -0.08 0.88 -0.05 0.52 -0.57 0.00 0.00 179.45 180.16 1c15 h MET 59 N 0.73 0.00 0.24 3.15 2.86 -1.27 0.52 114.93 121.17 1c15 h MET 59 Ca 0.12 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1c15 h MET 59 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1c15 h MET 59 CO 0.04 0.05 -0.12 0.82 1.06 0.00 0.00 176.91 178.76 1c15 h ILE 60 N 0.00 0.81 0.04 -1.22 2.04 -1.26 -2.03 117.51 115.89 1c15 h ILE 60 Ca -0.00 -0.63 -0.23 0.00 1.00 0.00 0.00 64.86 65.01 1c15 h ILE 60 Cb 0.10 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1c15 h ILE 60 CO 0.01 0.13 -1.01 -0.07 0.00 0.00 0.00 178.15 177.20 1c15 h LEU 61 N -0.66 0.36 -1.84 1.44 -0.00 -1.49 -3.18 115.31 109.94 1c15 h LEU 61 Ca -0.03 -0.33 -0.03 0.00 -0.00 0.00 0.00 57.88 57.49 1c15 h LEU 61 Cb 0.47 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1c15 h LEU 61 CO 0.06 1.17 -0.13 0.11 -0.00 0.00 0.00 178.44 179.64 1c15 h LYS 62 N 0.12 0.00 0.07 1.13 1.79 -0.00 -3.26 116.57 116.43 1c15 h LYS 62 Ca -0.08 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1c15 h LYS 62 Cb 1.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.33 1c15 h LYS 62 CO 0.16 0.13 -0.04 -0.22 -1.08 0.00 0.00 179.45 178.41 1c15 h LYS 63 N 0.00 -0.10 -3.47 3.15 1.63 -1.34 -3.50 116.57 112.95 1c15 h LYS 63 Ca -0.00 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1c15 h LYS 63 Cb 0.37 0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 31.92 1c15 h LYS 63 CO 0.02 -0.06 -0.05 0.16 -3.45 0.00 0.00 179.45 176.06 1c15 s ASP 64 N -4.23 -0.16 0.17 4.20 -4.77 -1.21 -5.05 116.67 105.62 1c15 s ASP 64 Ca -0.01 -0.67 0.16 0.00 -3.30 0.00 0.00 52.55 48.72 1c15 s ASP 64 Cb 0.00 0.57 -0.04 0.00 -1.09 0.00 0.00 42.92 42.36 1c15 s ASP 64 CO 0.04 -1.07 1.13 0.78 0.70 0.00 0.00 175.17 176.75 1c15 h ASN 65 N 2.26 0.00 -0.60 2.11 4.21 -1.86 -3.32 115.58 118.37 1c15 h ASN 65 Ca -0.28 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.27 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 0.38 0.53 0.40 0.44 -1.29 0.00 0.00 177.43 177.89 1c15 h ASP 66 N 0.00 0.58 -0.16 5.81 5.19 -1.96 -1.12 116.42 124.75 1c15 h ASP 66 Ca -0.08 -0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.27 1c15 h ASP 66 Cb 1.48 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.84 1c15 h ASP 66 CO 0.06 0.39 -0.05 -1.28 -3.12 0.00 0.00 179.24 175.23 1c15 h SER 67 N 0.66 0.45 -0.50 6.45 0.87 -1.87 -2.45 113.55 117.16 1c15 h SER 67 Ca 0.25 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1c15 h SER 67 Cb 0.15 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1c15 h SER 67 CO -0.07 0.55 0.31 0.22 -0.53 0.00 0.00 176.83 177.31 1c15 h TYR 68 N 0.45 0.64 -0.24 2.24 3.20 -1.38 0.12 116.97 122.00 1c15 h TYR 68 Ca 0.09 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 1c15 h TYR 68 Cb 0.38 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1c15 h TYR 68 CO 0.01 0.43 -0.25 0.28 -1.64 0.00 0.00 178.16 177.00 1c15 h VAL 69 N 0.67 1.26 0.00 1.81 2.07 -1.44 -2.66 116.25 117.96 1c15 h VAL 69 Ca 0.18 -1.24 -0.13 0.00 0.82 0.00 0.00 66.70 66.32 1c15 h VAL 69 Cb -0.03 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1c15 h VAL 69 CO -0.04 0.39 -0.64 -1.28 0.02 0.00 0.00 177.57 176.03 1c15 h SER 70 N 0.40 0.00 -0.61 0.57 0.87 -0.94 -3.17 113.55 110.67 1c15 h SER 70 Ca 0.06 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1c15 h SER 70 Cb 0.65 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.56 1c15 h SER 70 CO 0.05 0.64 0.34 0.15 -0.53 0.00 0.00 176.83 177.48 1c15 h PHE 71 N 0.00 0.63 -0.40 2.24 3.04 -0.41 0.83 116.94 122.87 1c15 h PHE 71 Ca -0.01 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1c15 h PHE 71 Cb 1.17 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 1c15 h PHE 71 CO 0.00 0.32 0.23 -0.92 -2.02 0.00 0.00 178.31 175.93 1c15 h TYR 72 N 0.65 0.53 0.00 0.41 3.20 -1.56 -2.35 116.97 117.86 1c15 h TYR 72 Ca 0.26 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1c15 h TYR 72 Cb 0.12 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1c15 h TYR 72 CO -0.08 0.38 -0.29 -0.97 -1.64 0.00 0.00 178.16 175.56 1c15 h ASN 73 N 0.52 0.00 0.32 -2.11 -1.24 -1.45 -2.80 115.58 108.81 1c15 h ASN 73 Ca 0.14 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.04 1c15 h ASN 73 Cb 0.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 1c15 h ASN 73 CO -0.03 0.29 -0.48 0.00 -1.29 0.00 0.00 177.43 175.93 1c15 h ALA 74 N 1.71 1.06 0.18 1.57 0.00 0.12 -2.64 119.26 121.25 1c15 h ALA 74 Ca -0.00 -0.45 -0.34 0.00 0.00 0.00 0.00 54.91 54.11 1c15 h ALA 74 Cb 1.05 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1c15 h ALA 74 CO 0.04 0.63 -1.70 -0.07 0.00 0.00 0.00 179.25 178.15 1c15 h LEU 75 N 0.15 0.60 -0.91 0.00 3.38 -1.41 -3.30 115.31 113.83 1c15 h LEU 75 Ca 0.01 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1c15 h LEU 75 Cb 0.90 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1c15 h LEU 75 CO 0.07 1.73 0.00 0.18 0.09 0.00 0.00 178.44 180.51 1c15 n LEU 76 N -3.58 0.65 0.23 1.67 4.77 -1.06 -2.68 117.00 116.99 1c15 n LEU 76 Ca -0.23 0.69 0.17 0.00 -0.03 0.00 0.00 56.01 56.62 1c15 n LEU 76 Cb 1.07 -0.65 0.86 0.00 -2.33 0.00 0.00 43.42 42.38 1c15 n LEU 76 CO 0.52 -0.67 1.15 -0.74 -1.33 0.00 0.00 177.39 176.32 1c15 h HIS 77 N 0.00 0.00 0.00 -1.77 2.76 -1.55 -3.37 115.15 111.22 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 0.00 0.00 0.39 -1.30 0.00 0.00 177.93 177.02 1c15 n GLU 78 N -3.68 0.00 -2.69 5.26 1.02 -1.09 -5.06 120.64 114.40 1c15 n GLU 78 Ca 0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 1c15 n GLU 78 Cb 0.31 -0.04 0.08 0.00 -0.02 0.00 0.00 31.44 31.77 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 3.47 -1.07 0.11 0.62 0.00 -1.23 -5.00 105.19 102.10 1c15 n GLY 79 Ca 0.00 0.69 0.05 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 1.27 0.00 -0.49 1.61 4.01 -1.18 -4.80 117.16 117.58 1c15 n TYR 80 Ca 0.02 -0.61 0.42 0.00 -0.16 0.00 0.00 57.90 57.57 1c15 n TYR 80 Cb 0.70 -0.09 0.76 0.00 -0.31 0.00 0.00 39.34 40.39 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 0.03 -0.05 -0.72 3.64 -1.91 0.67 116.57 118.23 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 0.93 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1c15 h LYS 81 CO 0.00 0.02 -0.00 -0.44 -2.27 0.00 0.00 179.45 176.75 1c15 h ASP 82 N 0.03 0.09 0.18 4.20 3.32 -1.99 -0.10 116.42 122.15 1c15 h ASP 82 Ca 0.74 -0.33 -0.30 0.00 0.02 0.00 0.00 57.03 57.16 1c15 h ASP 82 Cb 2.87 -0.03 0.03 0.00 0.22 0.00 0.00 39.33 42.43 1c15 h ASP 82 CO -0.06 0.40 -1.30 0.25 -1.72 0.00 0.00 179.24 176.81 1c15 h LEU 83 N -0.22 0.83 -0.40 1.55 7.12 -0.79 -3.12 115.31 120.29 1c15 h LEU 83 Ca 0.01 -0.87 0.00 0.00 0.13 0.00 0.00 57.88 57.15 1c15 h LEU 83 Cb 0.36 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.20 1c15 h LEU 83 CO 0.00 1.63 0.26 0.00 -0.13 0.00 0.00 178.44 180.20 1c15 h ALA 84 N 0.21 0.51 0.00 1.25 0.00 0.08 -1.82 119.26 119.50 1c15 h ALA 84 Ca -0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1c15 h ALA 84 Cb 1.99 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1c15 h ALA 84 CO 0.25 -0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.38 1c15 h ALA 85 N 1.13 1.76 0.02 0.00 0.00 -1.10 -1.06 119.26 120.00 1c15 h ALA 85 Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1c15 h ALA 85 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1c15 h ALA 85 CO -0.03 0.12 -0.01 1.25 0.00 0.00 0.00 179.25 180.58 1c15 h LEU 86 N 0.00 -0.02 -0.32 0.00 5.85 -1.26 -1.05 115.31 118.51 1c15 h LEU 86 Ca -0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1c15 h LEU 86 Cb 0.18 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1c15 h LEU 86 CO 0.01 -0.02 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.57 1c15 h LEU 87 N -0.03 0.00 -0.40 2.25 4.07 -1.40 -3.24 115.31 116.56 1c15 h LEU 87 Ca -0.00 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.83 1c15 h LEU 87 Cb 0.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1c15 h LEU 87 CO 0.00 0.46 -0.24 -0.74 -1.08 0.00 0.00 178.44 176.84 1c15 h HIS 88 N 0.00 1.02 0.00 1.13 2.76 -0.86 -2.65 115.15 116.56 1c15 h HIS 88 Ca -0.00 -0.27 -0.02 0.00 -2.20 0.00 0.00 60.37 57.88 1c15 h HIS 88 Cb 1.23 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.95 1c15 h HIS 88 CO 0.00 1.06 -0.09 -0.44 -1.30 0.00 0.00 177.93 177.15 1c15 h ASP 89 N 0.70 0.00 1.49 3.26 3.32 -1.24 -2.53 116.42 121.41 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 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1c15 h ASP 89 CO 0.07 0.09 -0.48 1.23 -1.72 0.00 0.00 179.24 178.43 1c15 h GLY 90 N 1.63 0.00 0.97 2.75 0.00 -1.53 -3.33 103.07 103.56 1c15 h GLY 90 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1c15 h GLY 90 CO 0.01 0.00 -0.18 -2.22 0.00 0.00 0.00 176.54 174.15 1c15 h ILE 91 N 0.00 0.63 0.00 2.60 2.04 -1.11 -3.39 117.51 118.28 1c15 h ILE 91 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1c15 h ILE 91 Cb 0.99 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1c15 h ILE 91 CO 0.00 0.01 0.00 -0.81 0.00 0.00 0.00 178.15 177.35 1c15 n PRO 92 N -5.30 0.00 -3.84 2.37 -0.04 -1.25 -3.40 135.00 123.54 1c15 n PRO 92 Ca -0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 1c15 n PRO 92 Cb 0.23 -0.29 -0.10 0.00 -0.04 0.00 0.00 33.50 33.30 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 -0.06 0.06 -0.03 0.52 1.01 -1.25 -4.76 120.40 115.89 1c15 s VAL 93 Ca 0.00 -0.50 0.14 0.00 0.00 0.00 0.00 61.98 61.62 1c15 s VAL 93 Cb 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.96 1c15 s VAL 93 CO 0.00 -0.27 1.47 0.58 0.00 0.00 0.00 175.10 176.88 1c15 h VAL 94 N 4.31 1.06 0.00 2.92 2.07 -1.85 -1.94 116.25 122.82 1c15 h VAL 94 Ca -0.29 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 64.90 1c15 h VAL 94 Cb 1.19 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1c15 h VAL 94 CO 0.40 0.57 -1.49 -0.24 0.02 0.00 0.00 177.57 176.83 1c15 n SER 95 N -3.32 0.44 -0.55 0.57 2.88 -1.26 -4.27 113.62 108.11 1c15 n SER 95 Ca 0.01 -0.33 0.06 0.00 -1.33 0.00 0.00 58.87 57.28 1c15 n SER 95 Cb 0.73 1.43 0.10 0.00 -0.75 0.00 0.00 64.21 65.72 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 -1.99 2.45 0.00 -3.46 2.88 -1.23 -5.29 113.62 106.98 1c15 n SER 96 Ca -0.00 -1.74 0.02 0.00 -1.33 0.00 0.00 58.87 55.82 1c15 n SER 96 Cb 0.47 -0.12 0.12 0.00 -0.75 0.00 0.00 64.21 63.93 1c15 n SER 96 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27