#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 0.00 -0.35 1.43 5.08 -2.05 -2.38 114.58 116.31 1mwn h GLU 2 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1mwn h GLU 2 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1mwn h GLU 2 CO 0.00 0.00 0.59 1.25 -1.00 0.00 0.00 179.01 179.85 1mwn h LEU 3 N 0.00 0.00 0.13 1.33 6.46 -2.04 0.71 115.31 121.90 1mwn h LEU 3 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1mwn h LEU 3 Cb 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1mwn h LEU 3 CO 0.00 0.00 -0.06 -0.08 -0.62 0.00 0.00 178.44 177.68 1mwn h GLU 4 N 0.00 -0.17 -0.00 1.25 4.57 -1.86 0.26 114.58 118.63 1mwn h GLU 4 Ca 0.17 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.23 1mwn h GLU 4 Cb 1.35 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.96 1mwn h GLU 4 CO -0.00 0.16 -0.59 1.57 -1.18 0.00 0.00 179.01 178.97 1mwn h LYS 5 N -0.51 0.00 0.09 1.92 2.10 -1.14 -3.12 116.57 115.91 1mwn h LYS 5 Ca -0.02 -0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.34 1mwn h LYS 5 Cb 0.40 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.76 1mwn h LYS 5 CO 0.03 0.59 -1.20 0.00 -2.00 0.00 0.00 179.45 176.87 1mwn h ALA 6 N 1.41 0.03 -0.75 0.07 0.00 -1.22 -3.16 119.26 115.64 1mwn h ALA 6 Ca -0.01 -0.75 0.01 0.00 0.00 0.00 0.00 54.91 54.16 1mwn h ALA 6 Cb 1.04 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1mwn h ALA 6 CO 0.08 0.69 0.50 1.98 0.00 0.00 0.00 179.25 182.49 1mwn h MET 7 N 0.31 0.99 -0.89 0.00 1.85 -0.47 -1.69 114.93 115.03 1mwn h MET 7 Ca -0.17 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 58.85 1mwn h MET 7 Cb 1.86 -0.22 -0.04 0.00 0.43 0.00 0.00 31.60 33.63 1mwn h MET 7 CO 0.23 0.65 0.53 -0.39 -0.40 0.00 0.00 176.91 177.54 1mwn h VAL 8 N 1.02 1.25 -0.89 -5.77 -1.51 -1.62 -1.47 116.25 107.25 1mwn h VAL 8 Ca 0.28 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1mwn h VAL 8 Cb -0.11 -0.01 -0.04 0.00 -2.13 0.00 0.00 31.29 29.00 1mwn h VAL 8 CO -0.06 0.26 0.56 0.00 -1.23 0.00 0.00 177.57 177.09 1mwn h ALA 9 N 1.36 1.13 -0.56 5.19 0.00 -1.29 0.25 119.26 125.34 1mwn h ALA 9 Ca 0.32 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1mwn h ALA 9 Cb -0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1mwn h ALA 9 CO -0.06 0.57 0.03 -0.07 0.00 0.00 0.00 179.25 179.72 1mwn h LEU 10 N 1.22 0.94 -0.29 0.00 3.38 -0.67 1.20 115.31 121.10 1mwn h LEU 10 Ca 0.32 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1mwn h LEU 10 Cb -0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1mwn h LEU 10 CO -0.06 1.00 0.05 0.40 0.09 0.00 0.00 178.44 179.91 1mwn h ILE 11 N 0.85 1.23 -0.30 1.22 2.04 -0.61 -0.75 117.51 121.20 1mwn h ILE 11 Ca 0.16 -0.80 -0.18 0.00 1.00 0.00 0.00 64.86 65.05 1mwn h ILE 11 Cb 0.50 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1mwn h ILE 11 CO 0.02 0.26 -0.51 -0.78 0.00 0.00 0.00 178.15 177.15 1mwn h ASP 12 N 0.30 0.96 -0.28 1.72 1.82 -0.32 -2.78 116.42 117.84 1mwn h ASP 12 Ca 0.09 -0.52 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 1mwn h ASP 12 Cb 0.34 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 1mwn h ASP 12 CO 0.01 1.30 0.18 0.58 -1.61 0.00 0.00 179.24 179.70 1mwn h VAL 13 N 0.65 1.08 -0.33 2.25 2.07 0.16 0.92 116.25 123.05 1mwn h VAL 13 Ca 0.02 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1mwn h VAL 13 Cb 1.11 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1mwn h VAL 13 CO 0.11 0.08 0.17 0.15 0.02 0.00 0.00 177.57 178.11 1mwn h PHE 14 N 0.38 0.33 0.00 1.57 3.57 -0.84 -2.43 116.94 119.52 1mwn h PHE 14 Ca 0.10 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1mwn h PHE 14 Cb -0.03 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1mwn h PHE 14 CO 0.00 0.18 -0.27 1.25 -2.23 0.00 0.00 178.31 177.25 1mwn h HIS 15 N 0.36 0.00 -0.55 0.41 2.76 -1.28 -2.17 115.15 114.68 1mwn h HIS 15 Ca 0.14 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1mwn h HIS 15 Cb 0.03 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 1mwn h HIS 15 CO -0.09 0.27 0.37 0.37 -1.30 0.00 0.00 177.93 177.54 1mwn h GLN 16 N 0.00 0.72 0.00 5.26 5.75 -0.34 -3.05 115.11 123.45 1mwn h GLN 16 Ca -0.00 -0.04 -0.18 0.00 -0.15 0.00 0.00 58.65 58.27 1mwn h GLN 16 Cb 1.18 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 1mwn h GLN 16 CO 0.03 0.48 -1.90 2.48 -2.65 0.00 0.00 178.83 177.27 1mwn n TYR 17 N -4.71 0.00 -0.31 3.99 4.11 -1.19 -4.49 117.16 114.56 1mwn n TYR 17 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.92 1mwn n TYR 17 Cb 0.02 -0.60 0.16 0.00 -0.00 0.00 0.00 39.34 38.93 1mwn n TYR 17 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1mwn h SER 18 N 0.00 1.04 0.00 9.48 0.87 -1.47 0.29 113.55 123.76 1mwn h SER 18 Ca -0.27 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1mwn h SER 18 Cb 1.52 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1mwn h SER 18 CO 0.01 0.76 0.00 0.61 -0.53 0.00 0.00 176.83 177.69 1mwn n GLY 19 N -1.36 -0.43 0.38 5.77 0.00 -1.15 -3.17 105.19 105.22 1mwn n GLY 19 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 1.30 -4.84 1.61 2.43 -1.19 -3.44 114.38 110.26 1mwn h ARG 20 Ca 0.00 -0.09 -0.29 0.00 -0.81 0.00 0.00 59.98 58.79 1mwn h ARG 20 Cb 0.00 -0.29 -0.15 0.00 -0.42 0.00 0.00 29.97 29.11 1mwn h ARG 20 CO 0.00 0.87 -0.67 -1.21 -1.51 0.00 0.00 179.97 177.45 1mwn s GLU 21 N -6.07 1.08 0.00 0.20 2.02 -1.19 -5.14 118.70 109.60 1mwn s GLU 21 Ca -0.13 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.36 1mwn s GLU 21 Cb 0.18 -0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.08 1mwn s GLU 21 CO 0.82 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.42 1mwn n GLY 22 N -0.22 -2.79 3.59 -1.39 0.00 -1.26 -4.18 105.19 98.94 1mwn n GLY 22 Ca -0.08 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 1mwn n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mwn n ASP 23 N -2.06 -1.68 0.29 1.61 -0.08 -1.26 -4.83 116.55 108.54 1mwn n ASP 23 Ca 0.00 -0.75 0.13 0.00 -1.51 0.00 0.00 54.79 52.66 1mwn n ASP 23 Cb 0.00 -4.45 0.85 0.00 2.34 0.00 0.00 41.12 39.87 1mwn n ASP 23 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1mwn h LYS 24 N -1.86 0.00 0.00 -0.67 1.57 -1.84 -0.98 116.57 112.79 1mwn h LYS 24 Ca -0.60 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.16 1mwn h LYS 24 Cb 1.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.66 1mwn h LYS 24 CO 0.54 0.00 -0.06 0.45 -0.57 0.00 0.00 179.45 179.81 1mwn h HIS 25 N 0.00 0.00 -3.46 -1.35 3.86 -1.94 -3.44 115.15 108.81 1mwn h HIS 25 Ca -0.00 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.86 1mwn h HIS 25 Cb 0.01 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.32 1mwn h HIS 25 CO 0.00 0.06 -0.73 0.15 0.86 0.00 0.00 177.93 178.27 1mwn s LYS 26 N -3.71 1.02 -0.07 2.45 1.02 -0.37 -4.55 119.74 115.53 1mwn s LYS 26 Ca 0.01 -1.36 0.02 0.00 0.02 0.00 0.00 55.97 54.65 1mwn s LYS 26 Cb 0.10 -0.68 -0.03 0.00 -0.52 0.00 0.00 37.83 36.70 1mwn s LYS 26 CO 0.56 0.10 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.48 1mwn s LEU 27 N -2.90 2.99 0.14 3.17 1.43 0.02 -4.82 118.68 118.71 1mwn s LEU 27 Ca 0.13 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 1mwn s LEU 27 Cb -0.00 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1mwn s LEU 27 CO 0.01 0.34 0.18 -0.75 0.23 0.00 0.00 176.35 176.37 1mwn s LYS 28 N -0.67 3.11 0.33 1.70 2.20 -1.26 0.26 119.74 125.40 1mwn s LYS 28 Ca 0.10 -0.73 0.09 0.00 -0.36 0.00 0.00 55.97 55.07 1mwn s LYS 28 Cb -0.11 -2.79 0.98 0.00 -1.51 0.00 0.00 37.83 34.40 1mwn s LYS 28 CO 0.01 0.51 1.60 0.87 -0.36 0.00 0.00 175.35 177.99 1mwn h LYS 29 N 2.45 0.09 -0.97 4.03 1.57 -1.90 1.43 116.57 123.26 1mwn h LYS 29 Ca -0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1mwn h LYS 29 Cb 1.19 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.44 1mwn h LYS 29 CO 0.66 0.06 0.62 0.77 -0.57 0.00 0.00 179.45 180.98 1mwn h SER 30 N 0.09 1.14 -0.48 0.86 0.02 -1.93 0.84 113.55 114.08 1mwn h SER 30 Ca 0.69 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 61.45 1mwn h SER 30 Cb 1.59 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1mwn h SER 30 CO -0.78 0.85 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.22 1mwn h GLU 31 N 1.33 1.00 -0.68 3.45 5.08 0.15 -2.73 114.58 122.18 1mwn h GLU 31 Ca 0.35 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1mwn h GLU 31 Cb -0.11 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1mwn h GLU 31 CO -0.07 1.10 0.14 1.25 -1.00 0.00 0.00 179.01 180.43 1mwn h LEU 32 N 0.86 1.06 -1.02 1.33 5.85 -0.52 -2.13 115.31 120.74 1mwn h LEU 32 Ca 0.11 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.70 1mwn h LEU 32 Cb 0.79 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 1mwn h LEU 32 CO 0.07 1.03 0.64 0.50 -0.34 0.00 0.00 178.44 180.33 1mwn h LYS 33 N 1.05 1.03 -0.41 1.25 3.64 -0.60 0.16 116.57 122.69 1mwn h LYS 33 Ca 0.21 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.39 1mwn h LYS 33 Cb 0.40 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1mwn h LYS 33 CO 0.01 0.68 -0.28 1.49 -2.27 0.00 0.00 179.45 179.08 1mwn h GLU 34 N 1.06 0.91 -0.00 1.90 4.57 -1.13 -0.07 114.58 121.82 1mwn h GLU 34 Ca 0.47 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1mwn h GLU 34 Cb 0.38 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1mwn h GLU 34 CO -0.23 1.09 -0.00 1.25 -1.18 0.00 0.00 179.01 179.93 1mwn h LEU 35 N 0.73 -0.01 -0.44 1.64 5.85 -0.39 1.26 115.31 123.95 1mwn h LEU 35 Ca 0.08 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1mwn h LEU 35 Cb 0.86 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1mwn h LEU 35 CO 0.08 -0.00 -0.15 0.40 -0.34 0.00 0.00 178.44 178.42 1mwn h ILE 36 N -0.00 1.27 0.00 4.05 2.04 -0.71 -1.21 117.51 122.95 1mwn h ILE 36 Ca 0.00 -1.29 -0.09 0.00 1.00 0.00 0.00 64.86 64.49 1mwn h ILE 36 Cb 0.01 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1mwn h ILE 36 CO -0.00 0.44 -0.43 -1.13 0.00 0.00 0.00 178.15 177.02 1mwn h ASN 37 N 0.72 0.00 1.10 1.72 -1.24 -0.80 0.15 115.58 117.23 1mwn h ASN 37 Ca 0.11 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.07 1mwn h ASN 37 Cb 0.71 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.75 1mwn h ASN 37 CO 0.05 0.43 -0.92 -1.13 -1.29 0.00 0.00 177.43 174.57 1mwn h ASN 38 N 0.00 0.00 0.00 1.15 -1.24 0.17 -3.14 115.58 112.52 1mwn h ASN 38 Ca -0.00 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.81 1mwn h ASN 38 Cb 1.27 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.28 1mwn h ASN 38 CO 0.06 0.17 -1.75 -0.62 -1.29 0.00 0.00 177.43 174.00 1mwn n GLU 39 N -2.82 1.91 -2.05 6.67 4.71 -0.47 -4.62 120.64 123.98 1mwn n GLU 39 Ca -0.02 0.01 -0.29 0.00 -0.01 0.00 0.00 57.16 56.85 1mwn n GLU 39 Cb 0.63 -1.28 0.03 0.00 -1.01 0.00 0.00 31.44 29.81 1mwn n GLU 39 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1mwn n LEU 40 N -2.49 5.71 0.22 -4.62 4.77 0.52 -4.72 117.00 116.40 1mwn n LEU 40 Ca -0.19 -4.84 -0.15 0.00 -0.03 0.00 0.00 56.01 50.80 1mwn n LEU 40 Cb 0.83 -0.60 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1mwn n LEU 40 CO 0.21 2.00 0.75 -1.28 -1.33 0.00 0.00 177.39 177.74 1mwn h SER 41 N 2.41 -0.43 0.00 -1.43 0.87 -1.63 -3.35 113.55 109.99 1mwn h SER 41 Ca 0.42 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1mwn h SER 41 Cb 0.98 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1mwn h SER 41 CO 1.03 -0.30 0.00 1.57 -0.53 0.00 0.00 176.83 178.60 1mwn n HIS 42 N -5.31 0.00 -0.15 2.24 -0.00 -1.26 -3.92 115.22 106.82 1mwn n HIS 42 Ca -0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.53 1mwn n HIS 42 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 1mwn n HIS 42 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 1mwn h PHE 43 N 0.00 0.65 0.00 1.57 0.04 -1.85 -3.45 116.94 113.90 1mwn h PHE 43 Ca 0.00 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1mwn h PHE 43 Cb 0.05 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1mwn h PHE 43 CO 0.00 0.54 0.00 1.28 -0.60 0.00 0.00 178.31 179.53 1mwn n LEU 44 N -4.64 0.00 -4.88 1.54 4.77 -1.26 -5.11 117.00 107.42 1mwn n LEU 44 Ca 0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.63 1mwn n LEU 44 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1mwn n LEU 44 CO 0.37 0.00 -0.07 -0.70 -1.33 0.00 0.00 177.39 175.65 1mwn s GLU 45 N 0.96 3.58 -0.28 3.23 -6.30 -1.26 -5.01 118.70 113.63 1mwn s GLU 45 Ca 0.00 -0.03 -0.10 0.00 -2.50 0.00 0.00 54.97 52.34 1mwn s GLU 45 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 34.13 30.95 1mwn s GLU 45 CO 0.00 0.70 0.17 -2.00 0.02 0.00 0.00 175.26 174.15 1mwn s GLU 46 N -1.44 3.83 -0.44 4.30 2.12 -1.25 -4.36 118.70 121.45 1mwn s GLU 46 Ca 0.23 -0.40 -0.22 0.00 0.36 0.00 0.00 54.97 54.95 1mwn s GLU 46 Cb -0.13 -3.61 0.02 0.00 0.26 0.00 0.00 34.13 30.67 1mwn s GLU 46 CO 0.12 -0.22 0.71 0.42 -0.54 0.00 0.00 175.26 175.75 1mwn s ILE 47 N 1.73 4.74 0.00 -3.70 -1.09 -1.26 -4.77 121.20 116.85 1mwn s ILE 47 Ca 0.07 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1mwn s ILE 47 Cb -0.16 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1mwn s ILE 47 CO 0.09 -0.65 0.00 2.29 -1.23 0.00 0.00 174.94 175.44 1mwn n LYS 48 N 6.48 3.92 -5.01 2.79 0.00 -1.26 -4.89 118.16 120.19 1mwn n LYS 48 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.04 1mwn n LYS 48 Cb 0.48 -0.64 -0.16 0.00 -0.00 0.00 0.00 35.03 34.71 1mwn n LYS 48 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1mwn s GLU 49 N -1.24 1.86 0.56 -1.58 2.12 -1.26 -5.01 118.70 114.15 1mwn s GLU 49 Ca 0.00 -0.73 0.28 0.00 0.36 0.00 0.00 54.97 54.88 1mwn s GLU 49 Cb 0.00 -1.70 1.63 0.00 0.26 0.00 0.00 34.13 34.32 1mwn s GLU 49 CO 0.00 0.38 2.17 -0.56 -0.54 0.00 0.00 175.26 176.70 1mwn h GLN 50 N 5.88 0.00 -0.85 4.30 3.07 -1.99 -2.73 115.11 122.79 1mwn h GLN 50 Ca -0.36 0.00 0.14 0.00 0.09 0.00 0.00 58.65 58.52 1mwn h GLN 50 Cb 1.15 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.62 1mwn h GLN 50 CO 0.48 0.06 0.44 1.05 0.09 0.00 0.00 178.83 180.95 1mwn h GLU 51 N 0.00 0.62 -0.02 0.06 4.11 -1.97 1.92 114.58 119.30 1mwn h GLU 51 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 1mwn h GLU 51 Cb 0.16 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1mwn h GLU 51 CO 0.01 0.41 0.00 0.28 0.07 0.00 0.00 179.01 179.78 1mwn h VAL 52 N 0.64 1.18 -0.17 -1.06 2.07 -1.91 0.31 116.25 117.31 1mwn h VAL 52 Ca 0.46 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1mwn h VAL 52 Cb 0.64 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1mwn h VAL 52 CO -0.36 0.15 0.10 0.58 0.02 0.00 0.00 177.57 178.06 1mwn h VAL 53 N -0.19 1.09 -0.54 2.57 2.07 -1.21 0.80 116.25 120.84 1mwn h VAL 53 Ca 0.01 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1mwn h VAL 53 Cb 0.23 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1mwn h VAL 53 CO 0.00 0.09 0.33 -0.78 0.02 0.00 0.00 177.57 177.23 1mwn h ASP 54 N 0.18 0.64 -0.01 0.57 1.82 0.31 1.19 116.42 121.12 1mwn h ASP 54 Ca 0.06 -0.05 -0.14 0.00 -0.39 0.00 0.00 57.03 56.51 1mwn h ASP 54 Cb 0.06 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 1mwn h ASP 54 CO -0.01 0.51 -0.43 0.50 -1.61 0.00 0.00 179.24 178.20 1mwn h LYS 55 N 0.73 0.54 -0.02 0.28 3.64 -0.06 -1.11 116.57 120.57 1mwn h LYS 55 Ca 0.19 -0.29 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 1mwn h LYS 55 Cb -0.03 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1mwn h LYS 55 CO -0.04 0.87 -0.67 0.28 -2.27 0.00 0.00 179.45 177.62 1mwn h VAL 56 N 0.44 1.46 -0.35 2.00 2.07 0.13 -2.83 116.25 119.16 1mwn h VAL 56 Ca 0.03 -2.24 -0.17 0.00 0.82 0.00 0.00 66.70 65.15 1mwn h VAL 56 Cb 0.93 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1mwn h VAL 56 CO 0.08 0.65 -0.43 0.24 0.02 0.00 0.00 177.57 178.13 1mwn h MET 57 N 0.06 0.91 -0.18 1.57 2.86 0.17 -2.30 114.93 118.03 1mwn h MET 57 Ca -0.01 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 1mwn h MET 57 Cb 1.20 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1mwn h MET 57 CO 0.09 1.16 0.11 1.49 1.06 0.00 0.00 176.91 180.83 1mwn h GLU 58 N 0.72 0.23 -0.39 1.72 4.81 -1.08 2.89 114.58 123.47 1mwn h GLU 58 Ca 0.05 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 1mwn h GLU 58 Cb 1.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1mwn h GLU 58 CO 0.10 0.15 -0.35 1.15 -0.73 0.00 0.00 179.01 179.34 1mwn h THR 59 N 0.24 1.27 0.00 0.32 2.02 -1.19 -3.26 112.91 112.32 1mwn h THR 59 Ca 0.06 -1.51 -0.29 0.00 0.77 0.00 0.00 66.41 65.44 1mwn h THR 59 Cb -0.02 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1mwn h THR 59 CO -0.01 0.51 -1.91 0.18 0.37 0.00 0.00 175.52 174.66 1mwn n LEU 60 N -4.07 1.73 -2.93 2.58 4.77 -0.56 -4.53 117.00 114.00 1mwn n LEU 60 Ca -0.02 0.30 -0.31 0.00 -0.03 0.00 0.00 56.01 55.95 1mwn n LEU 60 Cb 0.52 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 1mwn n LEU 60 CO 0.48 0.25 2.87 -0.67 -1.33 0.00 0.00 177.39 178.99 1mwn n ASP 61 N -4.15 7.67 0.00 -1.43 2.03 0.96 -4.48 116.55 117.14 1mwn n ASP 61 Ca -0.37 -2.54 0.06 0.00 0.52 0.00 0.00 54.79 52.46 1mwn n ASP 61 Cb 0.72 -1.51 0.35 0.00 -0.72 0.00 0.00 41.12 39.96 1mwn n ASP 61 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1mwn n GLU 62 N 3.28 0.41 0.08 -0.67 0.28 -1.23 -1.10 120.64 121.69 1mwn n GLU 62 Ca 0.68 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.56 1mwn n GLU 62 Cb 0.43 -1.45 -0.04 0.00 1.43 0.00 0.00 31.44 31.81 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1mwn h ASP 63 N 0.00 0.42 0.00 -1.84 3.32 -1.89 -3.46 116.42 112.97 1mwn h ASP 63 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1mwn h ASP 63 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1mwn h ASP 63 CO 0.00 1.15 0.00 0.61 -1.72 0.00 0.00 179.24 179.28 1mwn n GLY 64 N 0.96 0.68 0.25 2.75 0.00 -0.25 -4.89 105.19 104.68 1mwn n GLY 64 Ca -0.06 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 0.14 0.75 -2.72 1.61 5.75 -1.26 -4.87 116.55 115.95 1mwn n ASP 65 Ca 0.00 -1.47 -0.21 0.00 -0.01 0.00 0.00 54.79 53.10 1mwn n ASP 65 Cb 0.00 -0.04 0.02 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 0.98 -0.46 3.18 6.12 0.00 -1.26 -4.97 105.19 108.77 1mwn n GLY 66 Ca 0.17 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -5.47 0.78 -0.06 1.61 2.02 -1.26 -2.88 118.70 113.44 1mwn s GLU 67 Ca 0.21 -0.98 0.01 0.00 0.02 0.00 0.00 54.97 54.23 1mwn s GLU 67 Cb -0.09 0.31 0.02 0.00 0.10 0.00 0.00 34.13 34.47 1mwn s GLU 67 CO 0.26 -0.23 -0.07 0.00 0.02 0.00 0.00 175.26 175.24 1mwn s ASP 69 N 1.02 4.95 0.21 0.00 1.01 -1.26 -0.80 116.67 121.80 1mwn s ASP 69 Ca -0.09 0.18 -0.11 0.00 0.71 0.00 0.00 52.55 53.24 1mwn s ASP 69 Cb -0.14 -0.90 0.28 0.00 1.01 0.00 0.00 42.92 43.16 1mwn s ASP 69 CO -0.00 -1.44 1.66 0.15 0.21 0.00 0.00 175.17 175.75 1mwn h PHE 70 N -0.32 -0.05 -0.98 4.23 3.04 -1.97 0.21 116.94 121.10 1mwn h PHE 70 Ca -0.43 0.04 0.01 0.00 3.98 0.00 0.00 57.97 61.58 1mwn h PHE 70 Cb 1.30 0.11 -0.05 0.00 2.56 0.00 0.00 35.95 39.88 1mwn h PHE 70 CO 0.28 -0.16 0.65 1.96 -2.02 0.00 0.00 178.31 179.02 1mwn h GLN 71 N 0.11 1.30 -0.40 1.11 4.20 -1.98 -1.09 115.11 118.36 1mwn h GLN 71 Ca 0.31 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.80 1mwn h GLN 71 Cb 0.50 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1mwn h GLN 71 CO -0.52 0.87 -0.30 0.93 -0.67 0.00 0.00 178.83 179.14 1mwn h GLU 72 N 1.34 0.87 -0.86 1.46 5.08 -1.18 -2.52 114.58 118.76 1mwn h GLU 72 Ca 0.36 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1mwn h GLU 72 Cb -0.15 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1mwn h GLU 72 CO -0.08 1.05 0.57 0.35 -1.00 0.00 0.00 179.01 179.90 1mwn h PHE 73 N 0.74 1.09 -0.89 4.33 3.57 -0.02 -1.38 116.94 124.38 1mwn h PHE 73 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1mwn h PHE 73 Cb 0.86 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1mwn h PHE 73 CO 0.05 0.69 0.57 0.52 -2.23 0.00 0.00 178.31 177.91 1mwn h MET 74 N 1.17 1.18 0.00 1.11 2.86 -0.96 -1.41 114.93 118.88 1mwn h MET 74 Ca 0.32 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1mwn h MET 74 Cb -0.13 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.26 1mwn h MET 74 CO -0.07 0.79 -0.25 0.00 1.06 0.00 0.00 176.91 178.45 1mwn h ALA 75 N 1.42 1.58 -1.01 6.32 0.00 -0.84 -2.25 119.26 124.49 1mwn h ALA 75 Ca 0.32 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1mwn h ALA 75 Cb -0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1mwn h ALA 75 CO -0.07 0.31 0.67 0.35 0.00 0.00 0.00 179.25 180.51 1mwn h PHE 76 N 0.00 1.26 -0.59 0.00 3.57 -0.81 0.16 116.94 120.53 1mwn h PHE 76 Ca -0.00 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1mwn h PHE 76 Cb 0.44 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1mwn h PHE 76 CO 0.00 0.77 -0.02 0.28 -2.23 0.00 0.00 178.31 177.12 1mwn h VAL 77 N 1.34 1.27 -0.26 1.41 2.07 -1.40 -2.29 116.25 118.38 1mwn h VAL 77 Ca 0.38 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1mwn h VAL 77 Cb -0.12 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1mwn h VAL 77 CO -0.09 0.42 0.13 -1.28 0.02 0.00 0.00 177.57 176.77 1mwn h SER 78 N 0.94 0.34 -0.41 0.57 0.87 -0.65 1.60 113.55 116.81 1mwn h SER 78 Ca 0.16 -0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 1mwn h SER 78 Cb 0.58 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1mwn h SER 78 CO 0.03 0.37 -0.35 0.00 -0.53 0.00 0.00 176.83 176.36 1mwn h MET 79 N 0.29 0.96 -0.01 2.24 -0.00 -0.70 0.82 114.93 118.54 1mwn h MET 79 Ca 0.09 -0.48 -0.21 0.00 -0.00 0.00 0.00 59.70 59.10 1mwn h MET 79 Cb 0.12 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 31.72 1mwn h MET 79 CO -0.01 1.15 -0.89 0.28 -0.00 0.00 0.00 176.91 177.44 1mwn h VAL 80 N 0.80 1.43 -0.41 -0.10 2.07 -1.30 -1.18 116.25 117.56 1mwn h VAL 80 Ca 0.07 -2.45 -0.15 0.00 0.82 0.00 0.00 66.70 64.99 1mwn h VAL 80 Cb 0.94 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1mwn h VAL 80 CO 0.09 0.73 -0.34 0.74 0.02 0.00 0.00 177.57 178.80 1mwn h THR 81 N 0.20 1.27 -0.57 2.57 2.02 0.25 -2.54 112.91 116.11 1mwn h THR 81 Ca -0.06 -1.51 -0.11 0.00 0.77 0.00 0.00 66.41 65.50 1mwn h THR 81 Cb 1.51 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 1mwn h THR 81 CO 0.15 0.51 -0.07 0.74 0.37 0.00 0.00 175.52 177.22 1mwn h THR 82 N 0.79 1.27 -0.51 3.16 2.02 0.76 -1.36 112.91 119.04 1mwn h THR 82 Ca 0.07 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1mwn h THR 82 Cb 0.93 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1mwn h THR 82 CO 0.09 0.44 0.33 0.00 0.37 0.00 0.00 175.52 176.75 1mwn h ALA 83 N 0.95 0.64 -0.25 6.16 0.00 -1.08 0.35 119.26 126.03 1mwn h ALA 83 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1mwn h ALA 83 Cb 0.64 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1mwn h ALA 83 CO 0.04 0.10 0.13 0.00 0.00 0.00 0.00 179.25 179.52 1mwn h HIS 85 N 0.28 1.26 -0.98 0.00 6.17 -0.80 -1.70 115.15 119.37 1mwn h HIS 85 Ca 0.09 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.19 1mwn h HIS 85 Cb 0.10 -0.42 -0.05 0.00 2.52 0.00 0.00 27.41 29.55 1mwn h HIS 85 CO -0.03 0.80 0.64 1.49 0.71 0.00 0.00 177.93 181.54 1mwn h GLU 86 N 1.35 1.30 -5.97 5.26 4.81 0.27 -3.39 114.58 118.20 1mwn h GLU 86 Ca 0.36 -0.09 -0.56 0.00 -0.13 0.00 0.00 59.36 58.95 1mwn h GLU 86 Cb -0.13 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 28.95 1mwn h GLU 86 CO -0.08 0.87 1.47 0.12 -0.73 0.00 0.00 179.01 180.67 1mwn s PHE 87 N -6.07 1.30 -0.25 0.92 5.36 -0.44 -4.92 117.98 113.88 1mwn s PHE 87 Ca -0.13 0.78 -0.21 0.00 -0.96 0.00 0.00 56.93 56.41 1mwn s PHE 87 Cb 0.18 -3.91 -0.02 0.00 -0.34 0.00 0.00 43.02 38.93 1mwn s PHE 87 CO 0.82 -3.44 0.65 -0.06 -1.46 0.00 0.00 175.22 171.72 1mwn s PHE 88 N 8.86 3.28 -0.48 10.12 0.08 -1.26 -4.98 117.98 133.59 1mwn s PHE 88 Ca 0.94 0.84 -0.28 0.00 0.12 0.00 0.00 56.93 58.54 1mwn s PHE 88 Cb -0.26 -2.86 0.01 0.00 -0.57 0.00 0.00 43.02 39.33 1mwn s PHE 88 CO 0.32 -0.34 1.46 -2.00 -0.10 0.00 0.00 175.22 174.56 1mwn s GLU 89 N 2.54 3.40 0.23 0.44 2.12 -1.26 -4.86 118.70 121.30 1mwn s GLU 89 Ca 0.27 0.74 -0.07 0.00 0.36 0.00 0.00 54.97 56.26 1mwn s GLU 89 Cb -0.15 -4.09 0.22 0.00 0.26 0.00 0.00 34.13 30.36 1mwn s GLU 89 CO 0.08 -1.80 1.88 1.25 -0.54 0.00 0.00 175.26 176.14 1mwn h HIS 90 N 11.19 1.19 0.00 5.30 -0.00 -2.03 -3.57 115.15 127.24 1mwn h HIS 90 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 1mwn h HIS 90 Cb 1.11 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 28.12 1mwn h HIS 90 CO 1.00 0.79 0.00 0.39 -0.00 0.00 0.00 177.93 180.11