#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwq n HIS 0 N nan 0.00 -4.05 0.00 -0.00 -1.26 -5.16 115.22 nan 1mwq n HIS 0 Ca nan 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 nan 1mwq n HIS 0 Cb nan 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 nan 1mwq n HIS 0 CO nan 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 nan 1mwq s TYR 2 N 0.00 0.52 0.01 4.41 2.02 -1.25 -4.91 117.35 118.15 1mwq s TYR 2 Ca 0.00 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 56.01 1mwq s TYR 2 Cb 0.00 -0.34 -0.01 0.00 -0.40 0.00 0.00 41.96 41.21 1mwq s TYR 2 CO 0.00 -0.20 -0.03 0.71 -1.57 0.00 0.00 175.55 174.46 1mwq s TYR 3 N -2.32 0.29 -0.17 2.71 2.02 -0.10 -1.05 117.35 118.72 1mwq s TYR 3 Ca -0.05 -0.20 -0.08 0.00 -0.37 0.00 0.00 57.07 56.37 1mwq s TYR 3 Cb -0.04 -0.18 -0.04 0.00 -0.40 0.00 0.00 41.96 41.29 1mwq s TYR 3 CO -0.03 -0.05 0.11 0.08 -1.57 0.00 0.00 175.55 174.09 1mwq s VAL 4 N -0.51 5.24 -0.26 0.71 1.01 -0.11 -1.79 120.40 124.70 1mwq s VAL 4 Ca -0.04 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1mwq s VAL 4 Cb -0.04 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 33.02 1mwq s VAL 4 CO -0.00 0.50 -0.05 -0.63 0.00 0.00 0.00 175.10 174.91 1mwq s ILE 5 N -0.06 2.85 -0.38 2.22 1.01 0.21 -1.19 121.20 125.87 1mwq s ILE 5 Ca 0.09 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1mwq s ILE 5 Cb -0.12 -2.49 0.11 0.00 0.01 0.00 0.00 42.46 39.97 1mwq s ILE 5 CO 0.00 0.13 0.12 0.12 0.00 0.00 0.00 174.94 175.31 1mwq s PHE 6 N 1.30 3.68 -0.05 3.97 5.36 0.30 -1.09 117.98 131.45 1mwq s PHE 6 Ca -0.01 -2.81 -0.08 0.00 -0.96 0.00 0.00 56.93 53.07 1mwq s PHE 6 Cb -0.17 -3.03 -0.05 0.00 -0.34 0.00 0.00 43.02 39.43 1mwq s PHE 6 CO -0.04 -0.95 0.23 0.00 -1.46 0.00 0.00 175.22 173.01 1mwq s ALA 7 N 0.92 3.84 -0.09 11.12 0.00 -0.13 -1.23 121.76 136.18 1mwq s ALA 7 Ca 0.10 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1mwq s ALA 7 Cb -0.21 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 1mwq s ALA 7 CO -0.06 0.61 -0.12 -1.14 0.00 0.00 0.00 175.76 175.05 1mwq s GLN 8 N -1.35 3.01 0.36 0.00 2.00 0.62 -1.39 119.66 122.91 1mwq s GLN 8 Ca 0.22 -0.66 -0.14 0.00 -2.00 0.00 0.00 55.36 52.78 1mwq s GLN 8 Cb -0.13 -2.55 -0.08 0.00 0.80 0.00 0.00 33.01 31.05 1mwq s GLN 8 CO 0.11 0.42 0.76 -0.51 -0.50 0.00 0.00 175.29 175.57 1mwq s ASP 9 N -0.17 6.68 0.07 6.67 1.11 -0.09 0.11 116.67 131.05 1mwq s ASP 9 Ca 0.00 1.25 -0.31 0.00 0.18 0.00 0.00 52.55 53.68 1mwq s ASP 9 Cb -0.13 -2.37 -0.06 0.00 1.07 0.00 0.00 42.92 41.43 1mwq s ASP 9 CO 0.03 -0.29 1.31 -0.63 1.18 0.00 0.00 175.17 176.76 1mwq s ILE 10 N -2.15 3.70 0.61 0.77 -1.09 0.47 -4.54 121.20 118.96 1mwq s ILE 10 Ca 0.54 1.20 -0.18 0.00 -2.23 0.00 0.00 60.65 59.97 1mwq s ILE 10 Cb -0.10 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 1mwq s ILE 10 CO 0.23 0.07 0.96 -2.65 -1.23 0.00 0.00 174.94 172.32 1mwq n PRO 11 N 4.21 0.86 -3.35 2.79 -0.02 -1.26 -3.72 135.00 134.51 1mwq n PRO 11 Ca 0.11 0.34 -0.18 0.00 -2.02 0.00 0.00 63.50 61.74 1mwq n PRO 11 Cb 0.44 -2.16 0.07 0.00 -0.02 0.00 0.00 33.50 31.83 1mwq n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1mwq n ASN 12 N -0.80 -4.88 -0.79 2.55 3.02 -1.26 -4.93 115.26 108.16 1mwq n ASN 12 Ca 0.14 -0.46 0.02 0.00 -0.03 0.00 0.00 54.58 54.26 1mwq n ASN 12 Cb 0.48 -4.23 0.21 0.00 -0.61 0.00 0.00 39.78 35.62 1mwq n ASN 12 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1mwq n THR 13 N -4.36 2.33 -0.05 3.41 -2.24 -1.24 -4.75 114.28 107.38 1mwq n THR 13 Ca -0.04 -3.08 -0.00 0.00 -2.27 0.00 0.00 64.05 58.66 1mwq n THR 13 Cb 0.57 -0.27 0.29 0.00 -2.10 0.00 0.00 70.33 68.82 1mwq n THR 13 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1mwq h LEU 14 N 1.00 0.58 -0.54 3.22 3.38 -1.91 -1.24 115.31 119.79 1mwq h LEU 14 Ca 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1mwq h LEU 14 Cb 1.23 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1mwq h LEU 14 CO 0.13 0.58 0.33 1.05 0.09 0.00 0.00 178.44 180.62 1mwq h GLU 15 N 0.62 0.73 -0.09 1.13 9.09 -2.00 -1.61 114.58 122.45 1mwq h GLU 15 Ca 0.14 -0.07 -0.16 0.00 0.05 0.00 0.00 59.36 59.33 1mwq h GLU 15 Cb 0.23 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 1mwq h GLU 15 CO -0.00 0.53 -0.64 0.87 0.05 0.00 0.00 179.01 179.82 1mwq h LYS 16 N 0.73 0.35 -0.96 1.06 1.79 -1.86 -0.40 116.57 117.27 1mwq h LYS 16 Ca 0.19 -0.25 0.06 0.00 -2.18 0.00 0.00 60.65 58.48 1mwq h LYS 16 Cb -0.02 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.61 1mwq h LYS 16 CO -0.04 0.87 0.62 0.00 -1.08 0.00 0.00 179.45 179.82 1mwq h ARG 17 N 0.25 1.08 -0.13 3.15 3.08 -0.93 -2.49 114.38 118.39 1mwq h ARG 17 Ca -0.01 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 1mwq h ARG 17 Cb 1.17 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1mwq h ARG 17 CO 0.11 0.72 -0.30 1.25 -1.07 0.00 0.00 179.97 180.67 1mwq h LEU 18 N 1.11 0.50 -0.96 3.04 6.46 -0.93 -2.84 115.31 121.69 1mwq h LEU 18 Ca 0.41 -0.57 0.13 0.00 -0.12 0.00 0.00 57.88 57.73 1mwq h LEU 18 Cb 0.17 -0.14 -0.09 0.00 -0.73 0.00 0.00 40.66 39.86 1mwq h LEU 18 CO -0.16 0.98 0.59 0.00 -0.62 0.00 0.00 178.44 179.23 1mwq h ALA 19 N 0.53 1.48 -0.09 1.25 0.00 -0.65 -2.50 119.26 119.28 1mwq h ALA 19 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1mwq h ALA 19 Cb 0.90 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1mwq h ALA 19 CO 0.07 0.12 -0.12 1.33 0.00 0.00 0.00 179.25 180.65 1mwq n VAL 20 N -4.69 2.11 -0.14 0.00 0.24 -1.00 -4.73 118.33 110.12 1mwq n VAL 20 Ca 0.19 -2.47 -0.06 0.00 -2.04 0.00 0.00 64.34 59.96 1mwq n VAL 20 Cb 0.40 -0.25 0.02 0.00 -1.47 0.00 0.00 33.84 32.54 1mwq n VAL 20 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1mwq h ARG 21 N 0.66 0.45 -0.77 7.34 2.43 -1.18 -0.86 114.38 122.45 1mwq h ARG 21 Ca 0.03 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1mwq h ARG 21 Cb 1.16 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 1mwq h ARG 21 CO 0.09 0.30 0.35 0.93 -1.51 0.00 0.00 179.97 180.12 1mwq h GLU 22 N 0.47 1.13 -0.56 0.20 4.39 -1.85 -0.10 114.58 118.26 1mwq h GLU 22 Ca 0.18 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1mwq h GLU 22 Cb 0.06 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1mwq h GLU 22 CO -0.11 0.89 0.08 1.96 -1.16 0.00 0.00 179.01 180.68 1mwq h GLN 23 N 1.10 0.93 -0.12 2.33 7.50 -1.84 -0.53 115.11 124.49 1mwq h GLN 23 Ca 0.26 -0.25 0.01 0.00 0.50 0.00 0.00 58.65 59.17 1mwq h GLN 23 Cb 0.15 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 1mwq h GLN 23 CO -0.03 0.90 0.05 1.25 -1.50 0.00 0.00 178.83 179.49 1mwq h HIS 24 N 0.82 0.08 -0.18 2.96 2.76 -0.72 -2.93 115.15 117.95 1mwq h HIS 24 Ca 0.17 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 1mwq h HIS 24 Cb 0.42 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1mwq h HIS 24 CO 0.03 0.05 -0.17 -0.07 -1.30 0.00 0.00 177.93 176.47 1mwq h LEU 25 N 0.11 0.29 -1.09 0.26 3.38 -0.82 -2.99 115.31 114.45 1mwq h LEU 25 Ca 0.05 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1mwq h LEU 25 Cb 0.02 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1mwq h LEU 25 CO -0.05 0.48 0.62 0.00 0.09 0.00 0.00 178.44 179.58 1mwq h ALA 26 N 1.55 1.37 -0.26 1.53 0.00 -0.90 0.19 119.26 122.74 1mwq h ALA 26 Ca 0.05 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1mwq h ALA 26 Cb 0.47 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1mwq h ALA 26 CO 0.03 0.55 -0.39 0.00 0.00 0.00 0.00 179.25 179.43 1mwq h ARG 27 N 1.21 0.61 -0.36 0.00 3.08 -1.51 -1.82 114.38 115.59 1mwq h ARG 27 Ca 0.36 -0.31 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 1mwq h ARG 27 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1mwq h ARG 27 CO -0.10 0.90 -0.37 -0.07 -1.07 0.00 0.00 179.97 179.26 1mwq h LEU 28 N 0.50 0.92 -1.14 3.04 3.38 -1.41 -2.02 115.31 118.59 1mwq h LEU 28 Ca 0.04 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.65 1mwq h LEU 28 Cb 0.91 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 1mwq h LEU 28 CO 0.08 1.19 0.59 0.11 0.09 0.00 0.00 178.44 180.50 1mwq h LYS 29 N 0.71 1.05 -0.38 1.13 1.57 -0.78 -0.53 116.57 119.35 1mwq h LYS 29 Ca 0.06 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1mwq h LYS 29 Cb 0.95 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1mwq h LYS 29 CO 0.09 0.69 -0.03 0.37 -0.57 0.00 0.00 179.45 180.00 1mwq h GLN 30 N 1.08 0.69 -0.78 3.15 5.75 -1.06 -0.28 115.11 123.66 1mwq h GLN 30 Ca 0.38 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1mwq h GLN 30 Cb 0.11 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1mwq h GLN 30 CO -0.13 0.81 0.51 -0.07 -2.65 0.00 0.00 178.83 177.30 1mwq h LEU 31 N 0.50 0.88 -0.85 -2.39 3.38 -0.94 -2.39 115.31 113.50 1mwq h LEU 31 Ca 0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1mwq h LEU 31 Cb 0.52 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1mwq h LEU 31 CO 0.03 0.64 0.38 -0.61 0.09 0.00 0.00 178.44 178.97 1mwq h GLN 32 N 1.04 1.22 0.00 1.13 4.15 -0.87 -0.95 115.11 120.84 1mwq h GLN 32 Ca 0.29 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1mwq h GLN 32 Cb -0.11 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.37 1mwq h GLN 32 CO -0.07 0.95 -0.11 0.00 -1.93 0.00 0.00 178.83 177.67 1mwq h ALA 33 N 1.22 1.76 -0.11 3.38 0.00 -0.63 -0.23 119.26 124.64 1mwq h ALA 33 Ca 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1mwq h ALA 33 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1mwq h ALA 33 CO -0.03 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.74 1mwq n GLU 34 N -4.31 1.63 -2.68 0.00 1.02 -0.91 -4.93 120.64 110.45 1mwq n GLU 34 Ca -0.03 -0.94 -0.19 0.00 -0.02 0.00 0.00 57.16 55.98 1mwq n GLU 34 Cb 0.18 -1.41 0.02 0.00 -0.02 0.00 0.00 31.44 30.21 1mwq n GLU 34 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1mwq n ASN 35 N 0.16 -5.45 -0.12 1.62 5.03 -0.10 -4.90 115.26 111.49 1mwq n ASN 35 Ca 0.17 -0.15 0.07 0.00 0.87 0.00 0.00 54.58 55.54 1mwq n ASN 35 Cb 0.31 -4.38 -0.06 0.00 -1.02 0.00 0.00 39.78 34.63 1mwq n ASN 35 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1mwq n ARG 36 N -3.26 1.98 -3.60 3.52 1.74 -0.41 -4.96 116.66 111.67 1mwq n ARG 36 Ca -0.15 -0.28 -0.39 0.00 -0.77 0.00 0.00 57.85 56.27 1mwq n ARG 36 Cb 0.63 -1.22 -0.11 0.00 -1.02 0.00 0.00 32.46 30.74 1mwq n ARG 36 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1mwq s LEU 37 N -2.45 4.18 -0.10 0.55 2.96 -1.23 -0.60 118.68 121.99 1mwq s LEU 37 Ca 0.08 -0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 53.48 1mwq s LEU 37 Cb 0.12 -2.07 -0.14 0.00 0.50 0.00 0.00 46.19 44.60 1mwq s LEU 37 CO 0.53 -0.17 0.51 0.25 -1.32 0.00 0.00 176.35 176.15 1mwq h LEU 38 N 8.40 -0.05 -7.28 -0.68 6.46 -1.37 -3.47 115.31 117.33 1mwq h LEU 38 Ca -0.33 -0.47 0.02 0.00 -0.12 0.00 0.00 57.88 56.97 1mwq h LEU 38 Cb 1.16 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 41.00 1mwq h LEU 38 CO 0.60 0.66 0.24 0.28 -0.62 0.00 0.00 178.44 179.61 1mwq s THR 39 N -2.25 0.00 -0.02 1.05 -1.32 -1.07 -5.00 115.64 107.02 1mwq s THR 39 Ca -0.10 -0.28 -0.29 0.00 -1.21 0.00 0.00 61.69 59.81 1mwq s THR 39 Cb -0.01 -1.29 0.08 0.00 -1.51 0.00 0.00 72.50 69.77 1mwq s THR 39 CO 0.38 0.00 0.72 0.00 -2.21 0.00 0.00 174.62 173.51 1mwq s ALA 40 N -3.74 -1.77 0.00 11.08 0.00 -1.26 -1.26 121.76 124.81 1mwq s ALA 40 Ca 0.04 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1mwq s ALA 40 Cb -0.02 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1mwq s ALA 40 CO -0.07 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1mwq n GLY 41 N 0.58 0.77 3.90 0.00 0.00 -0.78 -5.01 105.19 104.65 1mwq n GLY 41 Ca -0.17 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 1mwq n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mwq s PRO 42 N -2.00 2.60 -0.44 1.61 0.04 -1.26 -0.93 135.00 134.62 1mwq s PRO 42 Ca 0.00 0.26 -0.06 0.00 0.04 0.00 0.00 61.00 61.24 1mwq s PRO 42 Cb 0.00 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.61 1mwq s PRO 42 CO 0.00 -1.15 0.27 -0.80 0.04 0.00 0.00 177.00 175.37 1mwq s ASN 43 N -4.42 5.49 0.50 6.66 -0.87 0.18 -4.81 114.94 117.67 1mwq s ASN 43 Ca 0.59 -1.93 -0.21 0.00 -1.57 0.00 0.00 52.86 49.73 1mwq s ASN 43 Cb -0.11 -1.93 -0.09 0.00 -0.02 0.00 0.00 41.25 39.11 1mwq s ASN 43 CO 0.50 -0.61 0.89 -2.65 -2.57 0.00 0.00 177.10 172.65 1mwq n PRO 44 N 4.77 1.03 0.02 -0.60 -0.02 -1.26 -0.58 135.00 138.35 1mwq n PRO 44 Ca -0.06 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 1mwq n PRO 44 Cb 0.41 -1.99 0.44 0.00 -0.02 0.00 0.00 33.50 32.34 1mwq n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mwq n ALA 45 N -1.09 2.71 -2.49 3.55 0.00 0.21 -4.61 120.51 118.78 1mwq n ALA 45 Ca 0.11 -0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 1mwq n ALA 45 Cb 0.43 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 1mwq n ALA 45 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1mwq s ILE 46 N -3.04 1.19 -1.49 0.00 -4.36 -1.26 -5.01 121.20 107.23 1mwq s ILE 46 Ca 0.12 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.41 1mwq s ILE 46 Cb 0.17 -2.72 0.01 0.00 1.25 0.00 0.00 42.46 41.17 1mwq s ILE 46 CO 0.61 0.00 2.53 -0.67 0.24 0.00 0.00 174.94 177.64 1mwq n ASP 47 N -0.84 6.83 -3.67 4.36 2.03 -1.26 -4.76 116.55 119.24 1mwq n ASP 47 Ca -0.04 -2.81 -0.10 0.00 0.52 0.00 0.00 54.79 52.36 1mwq n ASP 47 Cb 0.66 -1.54 -0.09 0.00 -0.72 0.00 0.00 41.12 39.43 1mwq n ASP 47 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1mwq s ASP 48 N 1.98 -0.71 0.37 1.67 -1.08 -1.26 -5.03 116.67 112.60 1mwq s ASP 48 Ca 0.57 1.21 0.27 0.00 -0.52 0.00 0.00 52.55 54.08 1mwq s ASP 48 Cb 0.16 1.12 1.00 0.00 -1.46 0.00 0.00 42.92 43.74 1mwq s ASP 48 CO -0.07 -0.21 1.80 1.05 0.52 0.00 0.00 175.17 178.26 1mwq h GLU 49 N 6.62 0.00 -2.95 4.34 4.11 -2.00 -3.26 114.58 121.44 1mwq h GLU 49 Ca -0.32 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.43 1mwq h GLU 49 Cb 1.20 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.08 1mwq h GLU 49 CO 0.20 0.00 -0.16 0.09 0.07 0.00 0.00 179.01 179.21 1mwq n ASN 50 N -2.62 4.24 0.04 3.06 3.02 -1.26 -4.94 115.26 116.80 1mwq n ASN 50 Ca 0.02 -3.26 0.11 0.00 -0.03 0.00 0.00 54.58 51.42 1mwq n ASN 50 Cb 0.32 -0.95 0.46 0.00 -0.61 0.00 0.00 39.78 39.00 1mwq n ASN 50 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1mwq n PRO 51 N 1.75 0.08 0.00 3.52 -0.04 -1.23 -4.98 135.00 134.10 1mwq n PRO 51 Ca 0.24 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1mwq n PRO 51 Cb 0.37 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1mwq n PRO 51 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1mwq n SER 52 N -1.77 0.00 0.19 3.54 2.88 -1.26 -1.52 113.62 115.68 1mwq n SER 52 Ca 0.05 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.77 1mwq n SER 52 Cb 0.28 0.00 0.75 0.00 -0.75 0.00 0.00 64.21 64.49 1mwq n SER 52 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1mwq h GLU 53 N 0.00 0.00 0.00 -1.46 4.81 -2.06 0.16 114.58 116.03 1mwq h GLU 53 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1mwq h GLU 53 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1mwq h GLU 53 CO 0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 179.01 178.09 1mwq h ALA 54 N 1.38 1.07 -0.72 2.92 0.00 -1.68 -3.48 119.26 118.75 1mwq h ALA 54 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1mwq h ALA 54 Cb 0.97 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1mwq h ALA 54 CO -0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1mwq n GLY 55 N -0.05 0.55 3.31 0.00 0.00 0.56 -4.59 105.19 104.96 1mwq n GLY 55 Ca -0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 1mwq n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mwq s PHE 56 N 0.00 1.51 -1.15 1.61 0.40 -1.26 -0.62 117.98 118.47 1mwq s PHE 56 Ca 0.00 -0.69 0.10 0.00 -0.60 0.00 0.00 56.93 55.73 1mwq s PHE 56 Cb 0.00 -0.75 0.07 0.00 0.51 0.00 0.00 43.02 42.84 1mwq s PHE 56 CO 0.00 0.20 0.78 0.25 0.70 0.00 0.00 175.22 177.14 1mwq n THR 57 N -0.31 0.00 -3.25 0.64 -2.24 0.25 -4.69 114.28 104.67 1mwq n THR 57 Ca -0.09 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1mwq n THR 57 Cb 0.61 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 1mwq n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mwq n GLY 58 N 0.58 -0.53 3.21 3.38 0.00 -1.26 -0.91 105.19 109.67 1mwq n GLY 58 Ca 0.05 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1mwq n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mwq s SER 59 N -4.00 0.21 -0.04 1.61 1.04 -0.48 -0.65 113.70 111.39 1mwq s SER 59 Ca 0.00 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.52 1mwq s SER 59 Cb 0.00 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1mwq s SER 59 CO 0.00 -0.76 -0.04 -0.89 0.98 0.00 0.00 173.24 172.54 1mwq s THR 60 N -3.95 0.44 -0.02 2.02 2.01 -0.11 -0.96 115.64 115.07 1mwq s THR 60 Ca 0.14 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1mwq s THR 60 Cb 0.06 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 1mwq s THR 60 CO -0.04 0.19 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.26 1mwq s VAL 61 N 0.81 1.04 -0.12 3.82 1.01 -0.25 -1.87 120.40 124.84 1mwq s VAL 61 Ca -0.10 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1mwq s VAL 61 Cb -0.13 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1mwq s VAL 61 CO -0.00 0.30 -0.13 -0.63 0.00 0.00 0.00 175.10 174.64 1mwq s ILE 62 N -0.11 1.41 0.15 2.22 1.01 -0.39 -0.62 121.20 124.87 1mwq s ILE 62 Ca 0.01 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 1mwq s ILE 62 Cb -0.07 -1.33 0.04 0.00 0.01 0.00 0.00 42.46 41.11 1mwq s ILE 62 CO 0.00 0.43 0.48 0.00 0.00 0.00 0.00 174.94 175.85 1mwq s ALA 63 N 1.34 -1.11 0.12 9.38 0.00 -0.74 -0.85 121.76 129.90 1mwq s ALA 63 Ca 0.00 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.79 1mwq s ALA 63 Cb -0.14 0.78 -0.07 0.00 0.00 0.00 0.00 23.12 23.70 1mwq s ALA 63 CO -0.07 -0.72 0.69 -0.65 0.00 0.00 0.00 175.76 175.02 1mwq s GLN 64 N -3.81 4.42 0.16 0.00 -0.21 0.24 -0.92 119.66 119.54 1mwq s GLN 64 Ca 0.04 0.98 -0.01 0.00 0.02 0.00 0.00 55.36 56.39 1mwq s GLN 64 Cb 0.00 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.71 1mwq s GLN 64 CO -0.10 0.57 0.10 -0.06 -2.12 0.00 0.00 175.29 173.68 1mwq s PHE 65 N -1.01 0.96 0.35 0.91 0.08 -1.26 -4.94 117.98 113.07 1mwq s PHE 65 Ca 0.33 -1.27 0.10 0.00 0.12 0.00 0.00 56.93 56.21 1mwq s PHE 65 Cb -0.21 -0.49 0.65 0.00 -0.57 0.00 0.00 43.02 42.40 1mwq s PHE 65 CO 0.23 -0.59 1.81 0.93 -0.10 0.00 0.00 175.22 177.50 1mwq h GLU 66 N 2.74 0.13 -2.08 0.44 4.39 -1.98 -3.45 114.58 114.77 1mwq h GLU 66 Ca -0.35 -0.05 0.23 0.00 0.34 0.00 0.00 59.36 59.53 1mwq h GLU 66 Cb 1.22 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 1mwq h GLU 66 CO 0.56 0.45 0.64 0.54 -1.16 0.00 0.00 179.01 180.03 1mwq s ASN 67 N -6.90 -0.09 0.21 1.42 2.20 -1.26 -5.02 114.94 105.50 1mwq s ASN 67 Ca -0.04 -0.36 -0.09 0.00 -0.94 0.00 0.00 52.86 51.43 1mwq s ASN 67 Cb 0.14 0.37 0.17 0.00 -2.00 0.00 0.00 41.25 39.93 1mwq s ASN 67 CO 0.74 -0.69 1.84 0.25 -2.94 0.00 0.00 177.10 176.30 1mwq h LEU 68 N 2.00 0.97 -0.97 3.54 5.85 -1.99 -1.85 115.31 122.86 1mwq h LEU 68 Ca -0.27 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.29 1mwq h LEU 68 Cb 1.22 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1mwq h LEU 68 CO 0.29 0.77 -0.12 -0.61 -0.34 0.00 0.00 178.44 178.43 1mwq h GLN 69 N 1.09 0.61 -0.85 1.25 5.75 -1.99 -0.48 115.11 120.49 1mwq h GLN 69 Ca 0.28 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1mwq h GLN 69 Cb -0.00 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 1mwq h GLN 69 CO -0.05 0.72 0.40 0.00 -2.65 0.00 0.00 178.83 177.25 1mwq h ALA 70 N 1.32 1.10 -0.39 3.38 0.00 -1.81 0.72 119.26 123.58 1mwq h ALA 70 Ca 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1mwq h ALA 70 Cb 0.54 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1mwq h ALA 70 CO 0.03 0.67 0.17 0.00 0.00 0.00 0.00 179.25 180.12 1mwq h ALA 71 N 1.22 0.50 -0.69 0.00 0.00 -0.75 -1.00 119.26 118.54 1mwq h ALA 71 Ca 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1mwq h ALA 71 Cb 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1mwq h ALA 71 CO -0.04 0.09 0.38 0.87 0.00 0.00 0.00 179.25 180.55 1mwq h LYS 72 N 0.48 0.96 -0.49 0.00 1.57 -0.78 -0.91 116.57 117.39 1mwq h LYS 72 Ca 0.13 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1mwq h LYS 72 Cb 0.16 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1mwq h LYS 72 CO -0.01 0.72 0.18 -0.44 -0.57 0.00 0.00 179.45 179.32 1mwq h ASP 73 N 0.94 0.70 -0.38 0.86 3.32 -0.70 -0.79 116.42 120.37 1mwq h ASP 73 Ca 0.24 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1mwq h ASP 73 Cb 0.04 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1mwq h ASP 73 CO -0.04 0.70 0.19 -0.25 -1.72 0.00 0.00 179.24 178.12 1mwq h TRP 74 N 0.66 0.53 -0.97 4.55 7.01 -1.00 -2.57 115.95 124.16 1mwq h TRP 74 Ca 0.16 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.16 1mwq h TRP 74 Cb 0.23 -0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.07 1mwq h TRP 74 CO 0.01 0.44 0.64 0.00 -2.79 0.00 0.00 178.44 176.73 1mwq h ALA 75 N 1.04 1.25 0.00 2.65 0.00 -0.88 -2.35 119.26 120.97 1mwq h ALA 75 Ca 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1mwq h ALA 75 Cb 0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1mwq h ALA 75 CO -0.02 0.57 -0.12 0.00 0.00 0.00 0.00 179.25 179.68 1mwq h ALA 76 N 1.37 1.17 -0.04 0.00 0.00 -0.77 -2.01 119.26 118.98 1mwq h ALA 76 Ca 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1mwq h ALA 76 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1mwq h ALA 76 CO -0.10 0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.34 1mwq n GLN 77 N -3.47 1.45 -1.86 0.00 6.02 -0.89 -4.76 117.38 113.87 1mwq n GLN 77 Ca -0.01 -0.66 -0.41 0.00 -0.01 0.00 0.00 57.00 55.91 1mwq n GLN 77 Cb 0.28 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 30.08 1mwq n GLN 77 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1mwq s ASP 78 N -1.88 6.43 0.48 1.08 2.15 -0.76 -4.86 116.67 119.31 1mwq s ASP 78 Ca 0.39 2.98 0.27 0.00 0.43 0.00 0.00 52.55 56.61 1mwq s ASP 78 Cb 0.20 -2.66 1.33 0.00 -0.30 0.00 0.00 42.92 41.49 1mwq s ASP 78 CO 0.32 -0.81 1.85 -0.65 -0.17 0.00 0.00 175.17 175.70 1mwq h PRO 79 N 3.17 0.16 0.00 4.34 0.11 -1.91 0.40 132.00 138.27 1mwq h PRO 79 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1mwq h PRO 79 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1mwq h PRO 79 CO 0.65 0.11 0.00 1.88 -0.21 0.00 0.00 178.00 180.43 1mwq h TYR 80 N 0.17 0.00 0.09 0.65 0.05 -1.90 -0.42 116.97 115.60 1mwq h TYR 80 Ca 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.27 1mwq h TYR 80 Cb 1.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.38 1mwq h TYR 80 CO -0.00 0.00 -0.05 0.28 -1.05 0.00 0.00 178.16 177.34 1mwq h VAL 81 N 0.00 1.13 -0.89 -2.88 2.07 -1.24 -0.50 116.25 113.93 1mwq h VAL 81 Ca 0.00 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.30 1mwq h VAL 81 Cb 0.70 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 1mwq h VAL 81 CO 0.00 0.29 0.58 -0.08 0.02 0.00 0.00 177.57 178.38 1mwq h GLU 82 N -0.76 1.02 -0.00 1.57 4.81 -1.34 -1.85 114.58 118.02 1mwq h GLU 82 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1mwq h GLU 82 Cb 0.57 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1mwq h GLU 82 CO 0.02 0.67 -0.03 0.00 -0.73 0.00 0.00 179.01 178.94 1mwq n ALA 83 N -2.40 2.50 -1.12 2.92 0.00 -0.18 -4.92 120.51 117.31 1mwq n ALA 83 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1mwq n ALA 83 Cb 0.17 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1mwq n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mwq n GLY 84 N 1.38 0.41 0.12 0.00 0.00 -0.70 -4.95 105.19 101.45 1mwq n GLY 84 Ca 0.11 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 1mwq n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mwq h VAL 85 N 0.00 1.50 -3.35 1.61 2.07 -1.37 -3.43 116.25 113.28 1mwq h VAL 85 Ca 0.00 -2.27 -0.57 0.00 0.82 0.00 0.00 66.70 64.68 1mwq h VAL 85 Cb 0.17 2.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.79 1mwq h VAL 85 CO 0.00 0.64 -0.01 -0.31 0.02 0.00 0.00 177.57 177.92 1mwq s TYR 86 N -2.82 3.55 -0.15 1.57 2.02 -0.53 -0.40 117.35 120.60 1mwq s TYR 86 Ca -0.14 1.10 -0.22 0.00 -0.37 0.00 0.00 57.07 57.44 1mwq s TYR 86 Cb 0.02 -2.70 -0.24 0.00 -0.40 0.00 0.00 41.96 38.63 1mwq s TYR 86 CO 0.81 0.12 0.52 0.00 -1.57 0.00 0.00 175.55 175.43 1mwq h ALA 87 N 6.74 0.14 -3.22 3.71 0.00 -0.57 -3.44 119.26 122.62 1mwq h ALA 87 Ca -0.41 -0.94 -0.18 0.00 0.00 0.00 0.00 54.91 53.38 1mwq h ALA 87 Cb 1.19 0.41 -0.25 0.00 0.00 0.00 0.00 17.79 19.13 1mwq h ALA 87 CO 0.75 0.52 -0.50 0.34 0.00 0.00 0.00 179.25 180.37 1mwq s ASP 88 N -6.73 -0.16 -0.07 0.00 3.68 -1.11 -5.00 116.67 107.27 1mwq s ASP 88 Ca -0.22 0.29 -0.00 0.00 2.13 0.00 0.00 52.55 54.75 1mwq s ASP 88 Cb 0.03 0.35 0.02 0.00 -1.45 0.00 0.00 42.92 41.87 1mwq s ASP 88 CO 0.69 -0.11 -0.04 -0.69 0.13 0.00 0.00 175.17 175.16 1mwq s VAL 89 N -0.10 0.61 -0.18 1.11 1.01 -1.26 -0.28 120.40 121.31 1mwq s VAL 89 Ca -0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 1mwq s VAL 89 Cb -0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1mwq s VAL 89 CO 0.00 0.28 0.06 -0.63 0.00 0.00 0.00 175.10 174.82 1mwq s ILE 90 N 1.54 4.78 -0.12 2.22 1.01 -0.37 -4.96 121.20 125.31 1mwq s ILE 90 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.62 1mwq s ILE 90 Cb -0.13 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.21 1mwq s ILE 90 CO -0.04 0.47 -0.16 -0.69 0.00 0.00 0.00 174.94 174.52 1mwq s VAL 91 N 0.33 1.57 0.05 2.92 1.01 -1.26 -0.54 120.40 124.47 1mwq s VAL 91 Ca 0.03 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1mwq s VAL 91 Cb -0.12 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1mwq s VAL 91 CO 0.00 0.46 -0.14 -0.54 0.00 0.00 0.00 175.10 174.88 1mwq s LYS 92 N 1.08 0.88 0.71 2.72 1.02 -0.33 -4.99 119.74 120.83 1mwq s LYS 92 Ca -0.04 -0.82 -0.16 0.00 0.02 0.00 0.00 55.97 54.97 1mwq s LYS 92 Cb -0.14 -0.88 0.01 0.00 -0.52 0.00 0.00 37.83 36.29 1mwq s LYS 92 CO -0.04 0.21 1.01 -2.30 -0.92 0.00 0.00 175.35 173.32 1mwq n PRO 93 N 1.69 0.57 -3.79 -1.68 -0.02 -1.26 -0.93 135.00 129.59 1mwq n PRO 93 Ca -0.19 0.25 -0.20 0.00 -2.02 0.00 0.00 63.50 61.34 1mwq n PRO 93 Cb 0.55 -2.26 -0.17 0.00 -0.02 0.00 0.00 33.50 31.59 1mwq n PRO 93 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1mwq s PHE 94 N -1.77 0.35 -0.43 6.00 5.36 -0.22 -4.69 117.98 122.58 1mwq s PHE 94 Ca 0.74 0.03 -0.20 0.00 -0.96 0.00 0.00 56.93 56.55 1mwq s PHE 94 Cb -0.35 -0.57 0.02 0.00 -0.34 0.00 0.00 43.02 41.79 1mwq s PHE 94 CO 0.49 -0.22 0.59 0.21 -1.46 0.00 0.00 175.22 174.83 1mwq s LYS 95 N 1.73 3.25 -0.69 10.12 2.20 -1.26 -3.94 119.74 131.15 1mwq s LYS 95 Ca 0.00 -0.46 -0.27 0.00 -0.36 0.00 0.00 55.97 54.88 1mwq s LYS 95 Cb -0.13 -3.95 0.03 0.00 -1.51 0.00 0.00 37.83 32.28 1mwq s LYS 95 CO -0.03 -0.96 1.25 0.21 -0.36 0.00 0.00 175.35 175.46 1mwq s LYS 96 N 2.64 3.29 -0.11 4.03 2.20 -1.26 -4.82 119.74 125.70 1mwq s LYS 96 Ca 0.20 -0.09 -0.12 0.00 -0.36 0.00 0.00 55.97 55.60 1mwq s LYS 96 Cb -0.15 -4.13 -0.26 0.00 -1.51 0.00 0.00 37.83 31.78 1mwq s LYS 96 CO 0.17 -1.99 0.46 0.28 -0.36 0.00 0.00 175.35 173.91 1mwq h VAL 97 N 6.07 0.82 -0.00 4.02 2.07 -2.06 -3.53 116.25 123.64 1mwq h VAL 97 Ca -0.27 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 64.88 1mwq h VAL 97 Cb 1.05 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1mwq h VAL 97 CO 1.25 0.77 0.00 0.49 0.02 0.00 0.00 177.57 180.10