#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwn h GLU 2 N 0.00 1.02 -0.05 4.33 4.57 -2.06 -2.69 114.58 119.71 1mwn h GLU 2 Ca 0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1mwn h GLU 2 Cb 0.00 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1mwn h GLU 2 CO 0.00 1.10 0.03 1.25 -1.18 0.00 0.00 179.01 180.21 1mwn h LEU 3 N 0.89 0.05 -0.11 1.64 6.46 -2.05 -2.36 115.31 119.83 1mwn h LEU 3 Ca 0.13 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1mwn h LEU 3 Cb 0.75 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 1mwn h LEU 3 CO 0.06 0.04 0.07 -0.33 -0.62 0.00 0.00 178.44 177.66 1mwn h GLU 4 N 0.06 0.14 -0.03 1.25 5.08 -1.92 0.12 114.58 119.27 1mwn h GLU 4 Ca 0.02 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1mwn h GLU 4 Cb -0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1mwn h GLU 4 CO -0.00 0.09 -0.49 1.57 -1.00 0.00 0.00 179.01 179.18 1mwn h LYS 5 N 0.15 0.09 -0.62 2.33 5.09 -1.55 -2.86 116.57 119.19 1mwn h LYS 5 Ca 0.04 -0.05 -0.10 0.00 0.09 0.00 0.00 60.65 60.64 1mwn h LYS 5 Cb -0.01 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.30 1mwn h LYS 5 CO -0.01 0.56 0.00 0.00 -2.09 0.00 0.00 179.45 177.91 1mwn h ALA 6 N 1.43 0.83 -0.92 0.07 0.00 -0.90 -2.69 119.26 117.08 1mwn h ALA 6 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1mwn h ALA 6 Cb 0.90 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1mwn h ALA 6 CO 0.07 0.67 0.61 1.98 0.00 0.00 0.00 179.25 182.58 1mwn h MET 7 N 0.99 1.22 -1.00 0.00 1.85 -0.56 -1.31 114.93 116.11 1mwn h MET 7 Ca 0.18 -0.08 0.01 0.00 -0.61 0.00 0.00 59.70 59.20 1mwn h MET 7 Cb 0.56 -0.27 -0.05 0.00 0.43 0.00 0.00 31.60 32.27 1mwn h MET 7 CO 0.03 0.81 0.67 0.28 -0.40 0.00 0.00 176.91 178.29 1mwn h VAL 8 N 1.25 1.26 -0.56 -5.77 2.07 -1.38 -2.02 116.25 111.10 1mwn h VAL 8 Ca 0.34 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 1mwn h VAL 8 Cb -0.14 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.39 1mwn h VAL 8 CO -0.07 0.25 -0.04 0.00 0.02 0.00 0.00 177.57 177.72 1mwn h ALA 9 N 1.37 0.75 -0.66 1.67 0.00 -0.96 -1.50 119.26 119.92 1mwn h ALA 9 Ca 0.37 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1mwn h ALA 9 Cb -0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1mwn h ALA 9 CO -0.08 0.62 0.08 -0.07 0.00 0.00 0.00 179.25 179.80 1mwn h LEU 10 N 0.89 1.08 -0.31 0.00 3.38 -0.79 -1.52 115.31 118.04 1mwn h LEU 10 Ca 0.15 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 1mwn h LEU 10 Cb 0.60 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1mwn h LEU 10 CO 0.04 1.08 -0.35 0.40 0.09 0.00 0.00 178.44 179.69 1mwn h ILE 11 N 1.03 1.29 -0.49 1.22 2.04 -1.26 -2.73 117.51 118.62 1mwn h ILE 11 Ca 0.20 -1.53 -0.05 0.00 1.00 0.00 0.00 64.86 64.47 1mwn h ILE 11 Cb 0.48 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1mwn h ILE 11 CO 0.02 0.50 0.10 -0.78 0.00 0.00 0.00 178.15 177.98 1mwn h ASP 12 N 0.54 0.76 -0.08 1.72 1.82 -1.16 -2.05 116.42 117.98 1mwn h ASP 12 Ca 0.04 -0.25 0.02 0.00 -0.39 0.00 0.00 57.03 56.46 1mwn h ASP 12 Cb 0.94 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.74 1mwn h ASP 12 CO 0.09 0.82 0.06 0.58 -1.61 0.00 0.00 179.24 179.17 1mwn h VAL 13 N 0.68 0.93 -0.20 2.25 2.07 -1.26 -1.94 116.25 118.78 1mwn h VAL 13 Ca 0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 1mwn h VAL 13 Cb 0.37 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1mwn h VAL 13 CO 0.01 0.00 0.10 0.15 0.02 0.00 0.00 177.57 177.85 1mwn h PHE 14 N 0.00 0.19 0.00 1.57 3.57 -1.05 -2.68 116.94 118.54 1mwn h PHE 14 Ca 0.04 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1mwn h PHE 14 Cb 0.15 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1mwn h PHE 14 CO 0.00 0.11 -0.45 0.45 -2.23 0.00 0.00 178.31 176.19 1mwn h HIS 15 N 0.22 0.00 -0.98 0.41 3.86 -1.38 -2.16 115.15 115.12 1mwn h HIS 15 Ca 0.08 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1mwn h HIS 15 Cb 0.02 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 1mwn h HIS 15 CO -0.09 0.45 0.65 1.96 0.86 0.00 0.00 177.93 181.76 1mwn h GLN 16 N 0.00 1.29 0.00 2.45 4.20 -1.02 -2.83 115.11 119.19 1mwn h GLN 16 Ca -0.00 -0.08 -0.23 0.00 0.06 0.00 0.00 58.65 58.40 1mwn h GLN 16 Cb 1.22 -0.29 -0.04 0.00 0.30 0.00 0.00 27.48 28.67 1mwn h GLN 16 CO 0.06 0.85 -1.86 0.66 -0.67 0.00 0.00 178.83 177.87 1mwn n TYR 17 N -4.40 0.00 -0.27 2.96 4.01 -1.20 -4.20 117.16 114.05 1mwn n TYR 17 Ca 0.11 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.79 1mwn n TYR 17 Cb 0.01 -0.61 0.05 0.00 -0.31 0.00 0.00 39.34 38.48 1mwn n TYR 17 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1mwn h SER 18 N 0.00 1.10 -0.04 7.72 0.87 -1.48 -2.21 113.55 119.51 1mwn h SER 18 Ca -0.34 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1mwn h SER 18 Cb 1.74 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1mwn h SER 18 CO 0.01 1.02 0.00 0.61 -0.53 0.00 0.00 176.83 177.94 1mwn n GLY 19 N -0.75 -0.39 0.31 5.77 0.00 -1.07 -3.90 105.19 105.16 1mwn n GLY 19 Ca 0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1mwn n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1mwn h ARG 20 N 1.26 1.07 -5.14 1.61 2.43 -1.56 -3.45 114.38 110.59 1mwn h ARG 20 Ca 0.00 -0.35 -0.52 0.00 -0.81 0.00 0.00 59.98 58.30 1mwn h ARG 20 Cb 0.27 -0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 29.59 1mwn h ARG 20 CO 0.00 1.05 -0.56 -1.21 -1.51 0.00 0.00 179.97 177.74 1mwn s GLU 21 N -4.99 1.81 0.00 0.20 2.02 -1.25 -5.13 118.70 111.36 1mwn s GLU 21 Ca -0.12 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 52.81 1mwn s GLU 21 Cb 0.14 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.57 1mwn s GLU 21 CO 0.86 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.22 1mwn n GLY 22 N -0.83 -2.89 3.89 -1.39 0.00 -1.26 -4.26 105.19 98.44 1mwn n GLY 22 Ca -0.05 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 1mwn n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mwn n ASP 23 N 0.00 -1.81 0.07 1.61 8.00 -1.26 -4.81 116.55 118.35 1mwn n ASP 23 Ca 0.00 -0.90 0.04 0.00 0.71 0.00 0.00 54.79 54.64 1mwn n ASP 23 Cb 0.00 -3.53 0.45 0.00 -0.02 0.00 0.00 41.12 38.02 1mwn n ASP 23 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1mwn h LYS 24 N -1.86 0.38 -0.17 -1.24 1.57 -1.77 -2.46 116.57 111.01 1mwn h LYS 24 Ca -0.61 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 57.99 1mwn h LYS 24 Cb 1.37 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1mwn h LYS 24 CO 0.63 0.31 -0.49 0.45 -0.57 0.00 0.00 179.45 179.78 1mwn h HIS 25 N 0.38 0.56 -3.60 -1.35 3.86 -1.90 -3.45 115.15 109.65 1mwn h HIS 25 Ca 0.10 -0.18 -0.45 0.00 -1.16 0.00 0.00 60.37 58.68 1mwn h HIS 25 Cb 0.06 -0.11 -0.19 0.00 1.06 0.00 0.00 27.41 28.23 1mwn h HIS 25 CO 0.00 0.86 -0.77 0.15 0.86 0.00 0.00 177.93 179.03 1mwn s LYS 26 N -4.06 1.06 -0.31 2.45 1.02 -0.93 -4.51 119.74 114.47 1mwn s LYS 26 Ca -0.06 -1.24 -0.14 0.00 0.02 0.00 0.00 55.97 54.55 1mwn s LYS 26 Cb 0.12 -1.03 -0.03 0.00 -0.52 0.00 0.00 37.83 36.37 1mwn s LYS 26 CO 0.82 0.21 0.33 -0.51 -0.92 0.00 0.00 175.35 175.28 1mwn s LEU 27 N -2.37 4.22 0.49 3.17 1.43 0.10 -4.73 118.68 121.00 1mwn s LEU 27 Ca 0.09 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 1mwn s LEU 27 Cb -0.06 -2.33 -0.07 0.00 0.03 0.00 0.00 46.19 43.76 1mwn s LEU 27 CO 0.04 -0.23 0.91 -0.75 0.23 0.00 0.00 176.35 176.54 1mwn s LYS 28 N 1.99 3.84 0.36 1.70 2.20 -1.26 0.37 119.74 128.94 1mwn s LYS 28 Ca 0.12 0.74 0.19 0.00 -0.36 0.00 0.00 55.97 56.66 1mwn s LYS 28 Cb -0.16 -2.23 1.22 0.00 -1.51 0.00 0.00 37.83 35.16 1mwn s LYS 28 CO 0.11 -0.22 1.63 0.87 -0.36 0.00 0.00 175.35 177.38 1mwn h LYS 29 N 0.89 0.17 -0.66 4.03 1.57 -1.80 0.51 116.57 121.28 1mwn h LYS 29 Ca -0.47 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1mwn h LYS 29 Cb 1.19 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1mwn h LYS 29 CO 0.62 0.12 0.43 0.77 -0.57 0.00 0.00 179.45 180.82 1mwn h SER 30 N 0.18 0.76 -0.37 0.86 0.02 -1.91 0.20 113.55 113.29 1mwn h SER 30 Ca 0.79 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 61.55 1mwn h SER 30 Cb 1.99 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 64.33 1mwn h SER 30 CO -0.64 0.55 -0.41 -0.33 -1.14 0.00 0.00 176.83 174.86 1mwn h GLU 31 N 0.89 0.93 -0.91 3.45 5.08 -0.37 -2.68 114.58 120.98 1mwn h GLU 31 Ca 0.24 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1mwn h GLU 31 Cb -0.10 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1mwn h GLU 31 CO -0.05 1.16 0.54 1.25 -1.00 0.00 0.00 179.01 180.91 1mwn h LEU 32 N 0.75 1.11 -0.78 1.33 5.85 -0.85 -0.02 115.31 122.70 1mwn h LEU 32 Ca 0.05 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1mwn h LEU 32 Cb 1.01 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1mwn h LEU 32 CO 0.10 0.86 0.51 0.50 -0.34 0.00 0.00 178.44 180.07 1mwn h LYS 33 N 1.26 1.00 -0.49 1.25 3.64 -0.38 0.62 116.57 123.47 1mwn h LYS 33 Ca 0.33 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.52 1mwn h LYS 33 Cb -0.03 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 1mwn h LYS 33 CO -0.06 0.66 -0.20 1.49 -2.27 0.00 0.00 179.45 179.08 1mwn h GLU 34 N 1.03 1.00 0.07 1.90 4.57 -1.05 0.76 114.58 122.86 1mwn h GLU 34 Ca 0.30 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1mwn h GLU 34 Cb -0.08 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1mwn h GLU 34 CO -0.08 1.09 -0.05 1.25 -1.18 0.00 0.00 179.01 180.04 1mwn h LEU 35 N 0.87 -0.14 -0.24 1.64 5.85 -0.01 0.72 115.31 124.00 1mwn h LEU 35 Ca 0.12 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 1mwn h LEU 35 Cb 0.77 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1mwn h LEU 35 CO 0.06 -0.09 -0.40 0.40 -0.34 0.00 0.00 178.44 178.08 1mwn h ILE 36 N -0.13 1.31 0.00 4.05 2.04 -0.85 -1.64 117.51 122.30 1mwn h ILE 36 Ca 0.00 -1.61 -0.07 0.00 1.00 0.00 0.00 64.86 64.19 1mwn h ILE 36 Cb 0.12 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1mwn h ILE 36 CO -0.01 0.51 -0.33 -1.13 0.00 0.00 0.00 178.15 177.19 1mwn h ASN 37 N 0.41 0.00 0.42 1.72 -1.24 -0.70 0.14 115.58 116.33 1mwn h ASN 37 Ca 0.02 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.72 1mwn h ASN 37 Cb 1.00 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.02 1mwn h ASN 37 CO 0.09 0.33 -1.68 -1.13 -1.29 0.00 0.00 177.43 173.75 1mwn h ASN 38 N 0.00 0.21 0.00 1.15 -0.00 0.54 -3.28 115.58 114.21 1mwn h ASN 38 Ca -0.00 -0.39 -0.25 0.00 -0.00 0.00 0.00 56.30 55.66 1mwn h ASN 38 Cb 0.78 -0.07 -0.05 0.00 -0.00 0.00 0.00 38.32 38.99 1mwn h ASN 38 CO 0.04 1.34 -1.92 -0.62 -0.00 0.00 0.00 177.43 176.27 1mwn n GLU 39 N -3.29 1.44 -0.88 6.67 1.02 -0.62 -4.46 120.64 120.52 1mwn n GLU 39 Ca -0.19 0.02 0.07 0.00 -0.02 0.00 0.00 57.16 57.04 1mwn n GLU 39 Cb 1.04 -1.34 0.40 0.00 -0.02 0.00 0.00 31.44 31.53 1mwn n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1mwn n LEU 40 N -2.63 5.68 0.00 -4.62 7.99 0.46 -4.70 117.00 119.17 1mwn n LEU 40 Ca -0.24 -2.88 0.00 0.00 -0.01 0.00 0.00 56.01 52.88 1mwn n LEU 40 Cb 0.90 -0.68 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 1mwn n LEU 40 CO 0.25 0.65 0.00 -1.54 -1.51 0.00 0.00 177.39 175.24 1mwn n SER 41 N 0.70 0.00 0.14 -1.43 3.41 -1.06 -2.46 113.62 112.91 1mwn n SER 41 Ca 0.28 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.97 1mwn n SER 41 Cb 1.17 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 65.17 1mwn n SER 41 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1mwn h HIS 42 N 0.00 0.00 -0.77 7.33 -0.00 -1.88 -3.29 115.15 116.54 1mwn h HIS 42 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1mwn h HIS 42 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.37 1mwn h HIS 42 CO 0.00 0.19 0.51 0.35 -0.00 0.00 0.00 177.93 178.98 1mwn h PHE 43 N 0.00 0.96 -0.84 5.26 3.57 -1.84 -3.46 116.94 120.59 1mwn h PHE 43 Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1mwn h PHE 43 Cb 1.17 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1mwn h PHE 43 CO 0.00 0.60 0.00 1.28 -2.23 0.00 0.00 178.31 177.96 1mwn n LEU 44 N -4.42 0.00 -4.49 0.59 4.77 -1.03 -5.09 117.00 107.33 1mwn n LEU 44 Ca 0.09 0.00 -0.52 0.00 -0.03 0.00 0.00 56.01 55.55 1mwn n LEU 44 Cb 0.04 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1mwn n LEU 44 CO 0.36 0.00 0.40 1.21 -1.33 0.00 0.00 177.39 178.03 1mwn n GLU 45 N 0.00 0.37 -3.57 3.23 0.00 -1.25 -4.60 120.64 114.81 1mwn n GLU 45 Ca 0.00 0.13 -0.38 0.00 0.00 0.00 0.00 57.16 56.92 1mwn n GLU 45 Cb 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 31.44 29.90 1mwn n GLU 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1mwn s GLU 46 N -0.52 4.04 -0.44 5.31 2.56 -1.24 -4.38 118.70 124.03 1mwn s GLU 46 Ca 0.75 -0.19 -0.21 0.00 0.00 0.00 0.00 54.97 55.32 1mwn s GLU 46 Cb -1.01 -3.59 0.02 0.00 2.00 0.00 0.00 34.13 31.55 1mwn s GLU 46 CO 0.55 -0.07 0.68 0.42 -0.56 0.00 0.00 175.26 176.28 1mwn s ILE 47 N 1.45 4.79 -0.01 -3.70 -1.09 -1.26 -4.79 121.20 116.59 1mwn s ILE 47 Ca 0.10 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1mwn s ILE 47 Cb -0.15 -4.23 -0.00 0.00 -1.58 0.00 0.00 42.46 36.50 1mwn s ILE 47 CO 0.08 -0.63 0.01 2.29 -1.23 0.00 0.00 174.94 175.46 1mwn n LYS 48 N 6.37 5.52 -4.72 2.79 0.00 -1.26 -4.87 118.16 121.99 1mwn n LYS 48 Ca -0.01 -0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.03 1mwn n LYS 48 Cb 0.48 -0.61 -0.14 0.00 -0.00 0.00 0.00 35.03 34.76 1mwn n LYS 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1mwn s GLU 49 N -1.22 1.54 0.51 -1.58 2.02 -1.26 -5.00 118.70 113.70 1mwn s GLU 49 Ca 0.00 -1.04 0.29 0.00 0.02 0.00 0.00 54.97 54.25 1mwn s GLU 49 Cb 0.00 -1.70 1.22 0.00 0.10 0.00 0.00 34.13 33.74 1mwn s GLU 49 CO 0.01 0.43 1.94 -0.56 0.02 0.00 0.00 175.26 177.10 1mwn h GLN 50 N 4.75 0.00 -0.71 1.61 3.07 -1.99 -2.97 115.11 118.87 1mwn h GLN 50 Ca -0.45 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.30 1mwn h GLN 50 Cb 1.15 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.68 1mwn h GLN 50 CO 0.43 0.11 0.47 1.05 0.09 0.00 0.00 178.83 180.98 1mwn h GLU 51 N 0.00 0.93 -0.23 0.06 4.11 -1.97 1.35 114.58 118.83 1mwn h GLU 51 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1mwn h GLU 51 Cb 0.58 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1mwn h GLU 51 CO 0.01 0.61 0.15 0.28 0.07 0.00 0.00 179.01 180.14 1mwn h VAL 52 N 0.96 1.06 -0.80 -1.06 2.07 -1.94 0.81 116.25 117.35 1mwn h VAL 52 Ca 0.26 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1mwn h VAL 52 Cb -0.11 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1mwn h VAL 52 CO -0.06 0.06 0.43 0.58 0.02 0.00 0.00 177.57 178.60 1mwn h VAL 53 N 0.31 1.24 -0.33 2.57 2.07 -1.40 1.48 116.25 122.19 1mwn h VAL 53 Ca 0.08 -0.60 -0.14 0.00 0.82 0.00 0.00 66.70 66.85 1mwn h VAL 53 Cb -0.03 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1mwn h VAL 53 CO -0.02 0.27 -0.36 0.44 0.02 0.00 0.00 177.57 177.93 1mwn h ASP 54 N 1.11 0.88 -0.23 0.57 3.32 0.26 0.41 116.42 122.73 1mwn h ASP 54 Ca 0.28 -0.48 -0.15 0.00 0.02 0.00 0.00 57.03 56.70 1mwn h ASP 54 Cb 0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1mwn h ASP 54 CO -0.04 1.18 -0.42 0.50 -1.72 0.00 0.00 179.24 178.73 1mwn h LYS 55 N 0.60 0.78 -0.05 3.56 3.64 0.11 -1.52 116.57 123.68 1mwn h LYS 55 Ca 0.05 -0.42 -0.12 0.00 -1.27 0.00 0.00 60.65 58.88 1mwn h LYS 55 Cb 0.94 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1mwn h LYS 55 CO 0.09 1.05 -0.52 0.28 -2.27 0.00 0.00 179.45 178.08 1mwn h VAL 56 N 0.63 1.36 -0.28 2.00 2.07 0.22 -2.72 116.25 119.54 1mwn h VAL 56 Ca 0.05 -1.79 -0.13 0.00 0.82 0.00 0.00 66.70 65.65 1mwn h VAL 56 Cb 0.98 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1mwn h VAL 56 CO 0.09 0.52 -0.32 0.24 0.02 0.00 0.00 177.57 178.13 1mwn h MET 57 N 0.11 0.71 -0.41 1.57 2.86 0.08 -1.24 114.93 118.60 1mwn h MET 57 Ca 0.00 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1mwn h MET 57 Cb 0.96 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1mwn h MET 57 CO 0.07 1.01 0.27 1.49 1.06 0.00 0.00 176.91 180.81 1mwn h GLU 58 N 0.45 0.54 -0.36 1.72 4.81 -1.15 3.39 114.58 123.98 1mwn h GLU 58 Ca 0.04 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 1mwn h GLU 58 Cb 0.89 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1mwn h GLU 58 CO 0.08 0.36 -0.43 1.15 -0.73 0.00 0.00 179.01 179.44 1mwn h THR 59 N 0.56 1.27 0.00 0.32 2.02 -1.14 -3.29 112.91 112.65 1mwn h THR 59 Ca 0.15 -1.60 -0.29 0.00 0.77 0.00 0.00 66.41 65.44 1mwn h THR 59 Cb -0.06 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1mwn h THR 59 CO -0.03 0.53 -1.91 -0.11 0.37 0.00 0.00 175.52 174.37 1mwn n LEU 60 N -4.04 1.71 -3.28 2.58 7.94 -0.51 -4.55 117.00 116.85 1mwn n LEU 60 Ca -0.03 0.29 -0.38 0.00 -1.11 0.00 0.00 56.01 54.78 1mwn n LEU 60 Cb 0.57 -0.69 -0.03 0.00 0.53 0.00 0.00 43.42 43.79 1mwn n LEU 60 CO 0.49 0.26 3.30 -0.67 -1.11 0.00 0.00 177.39 179.65 1mwn n ASP 61 N -4.14 8.64 0.00 1.96 2.03 1.12 -4.58 116.55 121.58 1mwn n ASP 61 Ca -0.37 -2.61 0.03 0.00 0.52 0.00 0.00 54.79 52.36 1mwn n ASP 61 Cb 0.72 -1.54 0.16 0.00 -0.72 0.00 0.00 41.12 39.74 1mwn n ASP 61 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1mwn n GLU 62 N 3.42 0.30 0.07 -0.67 -0.58 -1.22 -0.95 120.64 121.01 1mwn n GLU 62 Ca 0.77 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 57.45 1mwn n GLU 62 Cb 0.25 -1.28 -0.09 0.00 -0.57 0.00 0.00 31.44 29.75 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1mwn h ASP 63 N 0.00 0.00 0.00 1.62 3.32 -1.88 -3.47 116.42 116.02 1mwn h ASP 63 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mwn h ASP 63 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1mwn h ASP 63 CO 0.00 0.95 0.00 0.61 -1.72 0.00 0.00 179.24 179.08 1mwn n GLY 64 N 1.26 0.54 0.39 2.75 0.00 -0.12 -4.88 105.19 105.12 1mwn n GLY 64 Ca -0.00 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1mwn n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mwn n ASP 65 N 0.34 1.22 -1.34 1.61 5.75 -1.26 -4.89 116.55 117.98 1mwn n ASP 65 Ca 0.00 -1.41 -0.12 0.00 -0.01 0.00 0.00 54.79 53.26 1mwn n ASP 65 Cb 0.00 -0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1mwn n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mwn n GLY 66 N 1.14 -0.11 3.13 6.12 0.00 -1.26 -5.00 105.19 109.21 1mwn n GLY 66 Ca 0.20 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1mwn n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mwn s GLU 67 N -4.60 0.64 -0.10 1.61 2.02 -1.26 -2.11 118.70 114.91 1mwn s GLU 67 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1mwn s GLU 67 Cb -0.00 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.50 1mwn s GLU 67 CO 0.01 -0.16 -0.08 0.00 0.02 0.00 0.00 175.26 175.05 1mwn s ASP 69 N 1.52 4.87 0.27 0.00 1.01 -1.26 -0.72 116.67 122.36 1mwn s ASP 69 Ca 0.01 0.93 -0.00 0.00 0.71 0.00 0.00 52.55 54.19 1mwn s ASP 69 Cb -0.13 -1.55 0.49 0.00 1.01 0.00 0.00 42.92 42.74 1mwn s ASP 69 CO -0.06 -1.69 1.86 2.19 0.21 0.00 0.00 175.17 177.68 1mwn h PHE 70 N -0.90 1.17 -0.81 4.23 -5.15 -1.97 0.15 116.94 113.65 1mwn h PHE 70 Ca -0.46 0.03 -0.04 0.00 -0.20 0.00 0.00 57.97 57.31 1mwn h PHE 70 Cb 1.30 -0.38 -0.04 0.00 0.22 0.00 0.00 35.95 37.06 1mwn h PHE 70 CO 0.39 0.53 0.36 0.37 -2.00 0.00 0.00 178.31 177.96 1mwn h GLN 71 N 1.07 1.18 -0.33 6.09 4.15 -1.97 -2.62 115.11 122.69 1mwn h GLN 71 Ca 0.47 -0.19 -0.15 0.00 0.77 0.00 0.00 58.65 59.55 1mwn h GLN 71 Cb 0.35 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1mwn h GLN 71 CO -0.23 0.93 -0.40 0.93 -1.93 0.00 0.00 178.83 178.14 1mwn h GLU 72 N 1.16 0.79 -0.91 1.69 5.08 -1.29 -2.96 114.58 118.13 1mwn h GLU 72 Ca 0.27 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1mwn h GLU 72 Cb 0.16 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1mwn h GLU 72 CO -0.03 1.05 0.60 0.35 -1.00 0.00 0.00 179.01 179.97 1mwn h PHE 73 N 0.65 1.12 -0.12 4.33 3.57 -0.49 -0.35 116.94 125.66 1mwn h PHE 73 Ca 0.05 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1mwn h PHE 73 Cb 0.96 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1mwn h PHE 73 CO 0.05 0.67 -0.14 1.98 -2.23 0.00 0.00 178.31 178.65 1mwn h MET 74 N 1.18 0.19 -0.03 1.11 4.05 -1.37 -1.80 114.93 118.26 1mwn h MET 74 Ca 0.35 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.65 1mwn h MET 74 Cb -0.06 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1mwn h MET 74 CO -0.10 0.34 -0.36 0.00 0.23 0.00 0.00 176.91 177.02 1mwn h ALA 75 N 1.68 1.35 -1.00 0.39 0.00 -0.92 -2.67 119.26 118.10 1mwn h ALA 75 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1mwn h ALA 75 Cb 0.36 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1mwn h ALA 75 CO 0.02 0.48 0.66 0.35 0.00 0.00 0.00 179.25 180.76 1mwn h PHE 76 N 0.05 1.26 -0.82 0.00 3.57 -0.85 -0.87 116.94 119.27 1mwn h PHE 76 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1mwn h PHE 76 Cb 0.66 -0.42 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1mwn h PHE 76 CO 0.00 0.78 0.45 0.28 -2.23 0.00 0.00 178.31 177.59 1mwn h VAL 77 N 1.35 1.24 -0.35 1.41 2.07 -1.50 -1.55 116.25 118.92 1mwn h VAL 77 Ca 0.37 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1mwn h VAL 77 Cb -0.14 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1mwn h VAL 77 CO -0.09 0.27 0.22 -1.28 0.02 0.00 0.00 177.57 176.72 1mwn h SER 78 N 1.15 0.41 -0.51 0.57 0.87 -1.13 1.41 113.55 116.31 1mwn h SER 78 Ca 0.29 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 1mwn h SER 78 Cb 0.04 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1mwn h SER 78 CO -0.05 0.32 0.06 -0.03 -0.53 0.00 0.00 176.83 176.61 1mwn h MET 79 N 0.46 0.87 0.00 2.24 -1.53 -0.89 -2.09 114.93 113.98 1mwn h MET 79 Ca 0.13 -0.24 -0.19 0.00 -3.44 0.00 0.00 59.70 55.95 1mwn h MET 79 Cb -0.02 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 30.91 1mwn h MET 79 CO -0.03 0.86 -0.91 0.28 0.14 0.00 0.00 176.91 177.26 1mwn h VAL 80 N 0.74 1.56 -0.97 -5.77 2.07 -1.08 -3.02 116.25 109.78 1mwn h VAL 80 Ca 0.15 -3.20 -0.00 0.00 0.82 0.00 0.00 66.70 64.47 1mwn h VAL 80 Cb 0.43 2.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.92 1mwn h VAL 80 CO 0.01 0.89 0.60 0.74 0.02 0.00 0.00 177.57 179.83 1mwn h THR 81 N 0.00 1.26 -0.23 2.57 2.02 0.21 -2.08 112.91 116.66 1mwn h THR 81 Ca -0.01 -0.54 -0.14 0.00 0.77 0.00 0.00 66.41 66.49 1mwn h THR 81 Cb 1.70 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1mwn h THR 81 CO 0.12 0.27 -0.41 0.71 0.37 0.00 0.00 175.52 176.58 1mwn h THR 82 N 1.33 1.31 -0.00 3.16 1.35 -1.39 -2.10 112.91 116.56 1mwn h THR 82 Ca 0.35 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1mwn h THR 82 Cb -0.08 1.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1mwn h THR 82 CO -0.07 0.51 0.00 0.00 -0.25 0.00 0.00 175.52 175.71 1mwn h ALA 83 N 0.63 0.00 -0.59 6.62 0.00 -1.36 1.11 119.26 125.68 1mwn h ALA 83 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1mwn h ALA 83 Cb 1.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1mwn h ALA 83 CO 0.09 -0.49 0.24 0.00 0.00 0.00 0.00 179.25 179.09 1mwn h HIS 85 N 0.81 1.12 0.00 0.00 6.17 -1.08 -2.78 115.15 119.38 1mwn h HIS 85 Ca 0.20 -0.34 0.00 0.00 0.71 0.00 0.00 60.37 60.93 1mwn h HIS 85 Cb 0.19 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 29.88 1mwn h HIS 85 CO 0.01 1.17 0.00 -1.91 0.71 0.00 0.00 177.93 177.91 1mwn n GLU 86 N -4.05 0.32 -0.32 5.26 2.13 0.38 -3.65 120.64 120.70 1mwn n GLU 86 Ca -0.02 0.08 -0.03 0.00 0.66 0.00 0.00 57.16 57.84 1mwn n GLU 86 Cb 0.56 -1.50 0.09 0.00 0.27 0.00 0.00 31.44 30.85 1mwn n GLU 86 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1mwn h PHE 87 N 0.00 1.10 -3.42 4.31 3.57 -0.95 -3.44 116.94 118.11 1mwn h PHE 87 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1mwn h PHE 87 Cb 0.19 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1mwn h PHE 87 CO 0.00 0.69 0.00 1.97 -2.23 0.00 0.00 178.31 178.74 1mwn n PHE 88 N -4.48 -1.62 -3.89 0.41 -1.74 -1.24 -4.62 117.46 100.29 1mwn n PHE 88 Ca 0.09 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.70 1mwn n PHE 88 Cb 0.01 0.00 0.02 0.00 1.52 0.00 0.00 39.48 41.03 1mwn n PHE 88 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1mwn n GLU 89 N -0.53 -5.03 -0.38 3.97 -0.58 -1.26 -4.83 120.64 112.01 1mwn n GLU 89 Ca 0.00 0.57 -0.02 0.00 -0.42 0.00 0.00 57.16 57.29 1mwn n GLU 89 Cb 0.00 -5.31 0.11 0.00 -0.57 0.00 0.00 31.44 25.67 1mwn n GLU 89 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1mwn h HIS 90 N -1.97 1.26 0.00 -0.32 -0.00 -1.85 -3.51 115.15 108.76 1mwn h HIS 90 Ca -0.59 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.80 1mwn h HIS 90 Cb 1.37 -0.43 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1mwn h HIS 90 CO 0.54 0.80 0.00 -0.85 -0.00 0.00 0.00 177.93 178.42