#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 -0.34 1.43 5.08 -2.05 -2.32 114.58 116.37 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 0.57 1.25 -1.00 0.00 0.00 179.01 179.83 1mwn h LEU 3 N 0.00 0.00 0.15 1.33 6.46 -2.04 0.68 115.31 121.89 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 0.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1mwn h LEU 3 CO 0.00 0.00 -0.07 -0.08 -0.62 0.00 0.00 178.44 177.67 1mwn h GLU 4 N 0.00 -0.19 0.00 1.25 4.57 -1.85 0.30 114.58 118.66 1mwn h GLU 4 Ca 0.16 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.23 1mwn h GLU 4 Cb 1.31 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.92 1mwn h GLU 4 CO -0.00 0.11 -0.59 1.57 -1.18 0.00 0.00 179.01 178.93 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 -0.78 0.07 0.00 -1.21 -3.15 119.26 115.63 1mwn h ALA 6 Ca -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.15 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 0.51 1.98 0.00 0.00 0.00 179.25 182.50 1mwn h MET 7 N 0.31 1.03 -0.89 0.00 1.85 -0.38 -1.60 114.93 115.24 1mwn h MET 7 Ca -0.18 -0.07 -0.00 0.00 -0.61 0.00 0.00 59.70 58.84 1mwn h MET 7 Cb 1.87 -0.23 -0.04 0.00 0.43 0.00 0.00 31.60 33.63 1mwn h MET 7 CO 0.23 0.69 0.54 -0.39 -0.40 0.00 0.00 176.91 177.58 1mwn h VAL 8 N 1.06 1.24 -0.86 -5.77 -1.51 -1.62 -1.51 116.25 107.28 1mwn h VAL 8 Ca 0.28 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 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 0.55 0.00 -1.23 0.00 0.00 177.57 177.09 1mwn h ALA 9 N 1.37 1.09 -0.56 5.19 0.00 -1.27 0.25 119.26 125.32 1mwn h ALA 9 Ca 0.32 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1mwn h ALA 9 Cb -0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1mwn h ALA 9 CO -0.06 0.52 0.08 -0.07 0.00 0.00 0.00 179.25 179.71 1mwn h LEU 10 N 1.17 0.91 -0.29 0.00 3.38 -0.65 1.22 115.31 121.05 1mwn h LEU 10 Ca 0.31 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1mwn h LEU 10 Cb -0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1mwn h LEU 10 CO -0.06 0.95 0.05 0.40 0.09 0.00 0.00 178.44 179.87 1mwn h ILE 11 N 0.84 1.23 -0.29 1.22 2.04 -0.61 -0.80 117.51 121.14 1mwn h ILE 11 Ca 0.17 -0.78 -0.19 0.00 1.00 0.00 0.00 64.86 65.06 1mwn h ILE 11 Cb 0.44 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1mwn h ILE 11 CO 0.01 0.26 -0.55 -0.78 0.00 0.00 0.00 178.15 177.09 1mwn h ASP 12 N 0.30 0.98 -0.31 1.72 1.82 -0.31 -2.79 116.42 117.84 1mwn h ASP 12 Ca 0.09 -0.53 0.00 0.00 -0.39 0.00 0.00 57.03 56.20 1mwn h ASP 12 Cb 0.33 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1mwn h ASP 12 CO 0.00 1.33 0.20 0.58 -1.61 0.00 0.00 179.24 179.75 1mwn h VAL 13 N 0.67 1.08 -0.38 2.25 2.07 0.16 0.88 116.25 122.98 1mwn h VAL 13 Ca 0.01 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1mwn h VAL 13 Cb 1.16 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1mwn h VAL 13 CO 0.12 0.07 0.23 0.15 0.02 0.00 0.00 177.57 178.17 1mwn h PHE 14 N 0.41 0.43 0.00 1.57 3.57 -0.86 -2.44 116.94 119.62 1mwn h PHE 14 Ca 0.11 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1mwn h PHE 14 Cb -0.04 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1mwn h PHE 14 CO -0.00 0.26 -0.25 1.25 -2.23 0.00 0.00 178.31 177.34 1mwn h HIS 15 N 0.47 0.00 -0.55 0.41 2.76 -1.28 -2.18 115.15 114.78 1mwn h HIS 15 Ca 0.15 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1mwn h HIS 15 Cb -0.01 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 1mwn h HIS 15 CO -0.07 0.25 0.36 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 -0.35 -3.05 115.11 123.44 1mwn h GLN 16 Ca -0.00 -0.05 -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 -1.89 2.48 -2.65 0.00 0.00 178.83 177.28 1mwn n TYR 17 N -4.70 0.00 -0.32 3.99 4.11 -1.19 -4.49 117.16 114.56 1mwn n TYR 17 Ca 0.03 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 1.05 0.00 9.48 0.87 -1.47 0.27 113.55 123.75 1mwn h SER 18 Ca -0.27 -0.03 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 63.21 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 -1.38 -0.42 0.37 5.77 0.00 -1.15 -3.19 105.19 105.19 1mwn n GLY 19 Ca 0.10 -0.06 -0.03 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 1.29 -4.82 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 -0.28 -0.15 0.00 -0.42 0.00 0.00 29.97 29.12 1mwn h ARG 20 CO 0.00 0.88 -0.67 -1.21 -1.51 0.00 0.00 179.97 177.46 1mwn s GLU 21 N -6.06 1.09 0.00 0.20 2.02 -1.19 -5.14 118.70 109.62 1mwn s GLU 21 Ca -0.13 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.35 1mwn s GLU 21 Cb 0.18 -0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.09 1mwn s GLU 21 CO 0.82 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.41 1mwn n GLY 22 N -0.23 -2.73 3.60 -1.39 0.00 -1.26 -4.18 105.19 99.01 1mwn n GLY 22 Ca -0.07 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.08 -1.79 0.29 1.61 -0.08 -1.26 -4.83 116.55 108.40 1mwn n ASP 23 Ca 0.00 -0.77 0.14 0.00 -1.51 0.00 0.00 54.79 52.65 1mwn n ASP 23 Cb 0.00 -4.39 0.87 0.00 2.34 0.00 0.00 41.12 39.94 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 -1.84 0.00 0.00 -0.67 1.57 -1.84 -1.06 116.57 112.73 1mwn h LYS 24 Ca -0.61 0.00 -0.02 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 0.01 -0.07 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 -0.34 0.00 -1.16 0.00 0.00 60.37 58.87 1mwn h HIS 25 Cb 0.03 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.34 1mwn h HIS 25 CO 0.00 0.07 -0.72 0.15 0.86 0.00 0.00 177.93 178.29 1mwn s LYS 26 N -3.70 1.03 -0.07 2.45 1.02 -0.40 -4.55 119.74 115.51 1mwn s LYS 26 Ca 0.01 -1.37 0.02 0.00 0.02 0.00 0.00 55.97 54.64 1mwn s LYS 26 Cb 0.10 -0.67 -0.03 0.00 -0.52 0.00 0.00 37.83 36.71 1mwn s LYS 26 CO 0.57 0.10 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.49 1mwn s LEU 27 N -2.93 2.98 0.14 3.17 1.43 -0.04 -4.82 118.68 118.61 1mwn s LEU 27 Ca 0.14 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1mwn s LEU 27 Cb 0.00 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1mwn s LEU 27 CO 0.01 0.34 0.19 -0.75 0.23 0.00 0.00 176.35 176.36 1mwn s LYS 28 N -0.66 3.11 0.33 1.70 2.20 -1.26 0.23 119.74 125.40 1mwn s LYS 28 Ca 0.10 -0.73 0.11 0.00 -0.36 0.00 0.00 55.97 55.09 1mwn s LYS 28 Cb -0.11 -2.79 1.03 0.00 -1.51 0.00 0.00 37.83 34.45 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 0.08 -0.95 4.03 1.57 -1.90 1.42 116.57 123.27 1mwn h LYS 29 Ca -0.48 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 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 0.05 0.58 0.77 -0.57 0.00 0.00 179.45 180.94 1mwn h SER 30 N 0.08 1.13 -0.49 0.86 0.02 -1.93 0.10 113.55 113.33 1mwn h SER 30 Ca 0.71 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 61.46 1mwn h SER 30 Cb 1.67 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 1mwn h SER 30 CO -0.78 0.87 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.23 1mwn h GLU 31 N 1.31 1.01 -0.60 3.45 5.08 0.15 -2.72 114.58 122.25 1mwn h GLU 31 Ca 0.34 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1mwn h GLU 31 Cb -0.06 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1mwn h GLU 31 CO -0.06 1.11 0.05 1.25 -1.00 0.00 0.00 179.01 180.36 1mwn h LEU 32 N 0.87 0.97 -1.02 1.33 5.85 -0.55 -2.10 115.31 120.66 1mwn h LEU 32 Ca 0.11 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.68 1mwn h LEU 32 Cb 0.80 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 1mwn h LEU 32 CO 0.07 1.00 0.64 0.50 -0.34 0.00 0.00 178.44 180.31 1mwn h LYS 33 N 0.94 1.02 -0.41 1.25 3.64 -0.56 0.16 116.57 122.61 1mwn h LYS 33 Ca 0.18 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 1mwn h LYS 33 Cb 0.48 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1mwn h LYS 33 CO 0.02 0.68 -0.33 1.49 -2.27 0.00 0.00 179.45 179.04 1mwn h GLU 34 N 1.05 0.95 -0.01 1.90 4.57 -1.13 -0.12 114.58 121.79 1mwn h GLU 34 Ca 0.47 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1mwn h GLU 34 Cb 0.37 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1mwn h GLU 34 CO -0.23 1.13 0.00 1.25 -1.18 0.00 0.00 179.01 179.99 1mwn h LEU 35 N 0.78 0.00 -0.43 1.64 5.85 -0.33 1.15 115.31 123.98 1mwn h LEU 35 Ca 0.08 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1mwn h LEU 35 Cb 0.92 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1mwn h LEU 35 CO 0.09 0.00 -0.18 0.40 -0.34 0.00 0.00 178.44 178.41 1mwn h ILE 36 N 0.01 1.28 0.00 4.05 2.04 -0.71 -1.22 117.51 122.95 1mwn h ILE 36 Ca 0.00 -1.32 -0.09 0.00 1.00 0.00 0.00 64.86 64.46 1mwn h ILE 36 Cb 0.00 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1mwn h ILE 36 CO -0.00 0.44 -0.43 -1.13 0.00 0.00 0.00 178.15 177.04 1mwn h ASN 37 N 0.70 0.00 1.09 1.72 -1.24 -0.83 0.15 115.58 117.17 1mwn h ASN 37 Ca 0.10 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 1mwn h ASN 37 Cb 0.74 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.78 1mwn h ASN 37 CO 0.06 0.43 -0.94 -1.13 -1.29 0.00 0.00 177.43 174.56 1mwn h ASN 38 N 0.00 0.00 0.00 1.15 -1.24 0.15 -3.15 115.58 112.49 1mwn h ASN 38 Ca -0.00 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 1mwn h ASN 38 Cb 1.26 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.27 1mwn h ASN 38 CO 0.06 0.18 -1.78 -0.62 -1.29 0.00 0.00 177.43 173.98 1mwn n GLU 39 N -2.82 1.76 -2.06 6.67 4.71 -0.47 -4.62 120.64 123.81 1mwn n GLU 39 Ca -0.02 0.01 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 1mwn n GLU 39 Cb 0.63 -1.29 0.03 0.00 -1.01 0.00 0.00 31.44 29.80 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 -2.53 5.74 0.22 -4.62 4.77 0.52 -4.72 117.00 116.39 1mwn n LEU 40 Ca -0.20 -4.86 -0.15 0.00 -0.03 0.00 0.00 56.01 50.77 1mwn n LEU 40 Cb 0.84 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 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 2.43 -0.43 0.00 -1.43 0.87 -1.63 -3.35 113.55 110.01 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 0.95 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1mwn h SER 41 CO 1.04 -0.31 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 0.63 0.00 1.57 0.04 -1.85 -3.45 116.94 113.88 1mwn h PHE 43 Ca 0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1mwn h PHE 43 Cb 0.04 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1mwn h PHE 43 CO 0.00 0.52 0.00 1.28 -0.60 0.00 0.00 178.31 179.51 1mwn n LEU 44 N -4.66 0.00 -4.87 1.54 4.77 -1.26 -5.11 117.00 107.41 1mwn n LEU 44 Ca 0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1mwn n LEU 44 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1mwn n LEU 44 CO 0.37 0.00 -0.06 -0.70 -1.33 0.00 0.00 177.39 175.66 1mwn s GLU 45 N 0.96 3.61 -0.29 3.23 -6.30 -1.26 -5.01 118.70 113.65 1mwn s GLU 45 Ca 0.00 0.03 -0.11 0.00 -2.50 0.00 0.00 54.97 52.39 1mwn s GLU 45 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 34.13 30.93 1mwn s GLU 45 CO 0.00 0.71 0.18 -2.00 0.02 0.00 0.00 175.26 174.18 1mwn s GLU 46 N -1.30 3.82 -0.44 4.30 2.12 -1.25 -4.36 118.70 121.58 1mwn s GLU 46 Ca 0.22 -0.41 -0.22 0.00 0.36 0.00 0.00 54.97 54.92 1mwn s GLU 46 Cb -0.14 -3.65 0.02 0.00 0.26 0.00 0.00 34.13 30.63 1mwn s GLU 46 CO 0.11 -0.24 0.71 0.42 -0.54 0.00 0.00 175.26 175.72 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 36.45 1mwn s ILE 47 CO 0.10 -0.66 0.00 2.29 -1.23 0.00 0.00 174.94 175.44 1mwn n LYS 48 N 6.49 3.77 -5.00 2.79 0.00 -1.26 -4.89 118.16 120.06 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 -0.66 -0.16 0.00 -0.00 0.00 0.00 35.03 34.69 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 -1.27 1.87 0.56 -1.58 2.12 -1.26 -5.01 118.70 114.13 1mwn s GLU 49 Ca 0.00 -0.72 0.28 0.00 0.36 0.00 0.00 54.97 54.89 1mwn s GLU 49 Cb 0.00 -1.69 1.68 0.00 0.26 0.00 0.00 34.13 34.38 1mwn s GLU 49 CO 0.00 0.36 2.19 -0.56 -0.54 0.00 0.00 175.26 176.71 1mwn h GLN 50 N 5.93 0.00 -0.88 4.30 3.07 -1.99 -2.69 115.11 122.85 1mwn h GLN 50 Ca -0.35 0.00 0.15 0.00 0.09 0.00 0.00 58.65 58.53 1mwn h GLN 50 Cb 1.16 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.62 1mwn h GLN 50 CO 0.48 0.04 0.47 1.05 0.09 0.00 0.00 178.83 180.96 1mwn h GLU 51 N 0.00 0.66 -0.01 0.06 4.11 -1.97 1.91 114.58 119.33 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 0.11 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1mwn h GLU 51 CO 0.01 0.43 0.00 0.28 0.07 0.00 0.00 179.01 179.80 1mwn h VAL 52 N 0.68 1.20 -0.16 -1.06 2.07 -1.90 0.30 116.25 117.37 1mwn h VAL 52 Ca 0.47 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1mwn h VAL 52 Cb 0.65 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1mwn h VAL 52 CO -0.35 0.15 0.09 0.58 0.02 0.00 0.00 177.57 178.07 1mwn h VAL 53 N -0.23 1.08 -0.60 2.57 2.07 -1.21 0.83 116.25 120.77 1mwn h VAL 53 Ca 0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1mwn h VAL 53 Cb 0.25 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1mwn h VAL 53 CO 0.00 0.08 0.36 -0.78 0.02 0.00 0.00 177.57 177.25 1mwn h ASP 54 N 0.17 0.72 -0.04 0.57 1.82 0.31 1.22 116.42 121.19 1mwn h ASP 54 Ca 0.06 -0.06 -0.14 0.00 -0.39 0.00 0.00 57.03 56.50 1mwn h ASP 54 Cb 0.05 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 1mwn h ASP 54 CO -0.01 0.57 -0.45 0.50 -1.61 0.00 0.00 179.24 178.24 1mwn h LYS 55 N 0.81 0.58 -0.03 0.28 3.64 -0.06 -1.18 116.57 120.61 1mwn h LYS 55 Ca 0.21 -0.32 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 1mwn h LYS 55 Cb -0.02 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1mwn h LYS 55 CO -0.04 0.91 -0.64 0.28 -2.27 0.00 0.00 179.45 177.69 1mwn h VAL 56 N 0.47 1.43 -0.36 2.00 2.07 0.13 -2.81 116.25 119.18 1mwn h VAL 56 Ca 0.03 -2.13 -0.17 0.00 0.82 0.00 0.00 66.70 65.25 1mwn h VAL 56 Cb 0.97 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1mwn h VAL 56 CO 0.09 0.62 -0.44 0.24 0.02 0.00 0.00 177.57 178.10 1mwn h MET 57 N 0.08 0.93 -0.18 1.57 2.86 0.18 -2.31 114.93 118.06 1mwn h MET 57 Ca -0.01 -0.52 -0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1mwn h MET 57 Cb 1.15 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1mwn h MET 57 CO 0.09 1.17 0.11 1.49 1.06 0.00 0.00 176.91 180.83 1mwn h GLU 58 N 0.74 0.23 -0.42 1.72 4.81 -1.08 2.82 114.58 123.42 1mwn h GLU 58 Ca 0.05 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 1mwn h GLU 58 Cb 1.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1mwn h GLU 58 CO 0.10 0.16 -0.31 1.15 -0.73 0.00 0.00 179.01 179.39 1mwn h THR 59 N 0.24 1.27 0.00 0.32 2.02 -1.18 -3.26 112.91 112.33 1mwn h THR 59 Ca 0.06 -1.48 -0.29 0.00 0.77 0.00 0.00 66.41 65.48 1mwn h THR 59 Cb -0.01 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1mwn h THR 59 CO -0.01 0.50 -1.93 0.18 0.37 0.00 0.00 175.52 174.62 1mwn n LEU 60 N -4.08 1.71 -2.94 2.58 4.77 -0.58 -4.53 117.00 113.94 1mwn n LEU 60 Ca -0.01 0.29 -0.31 0.00 -0.03 0.00 0.00 56.01 55.95 1mwn n LEU 60 Cb 0.50 -0.69 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1mwn n LEU 60 CO 0.47 0.27 2.90 -0.67 -1.33 0.00 0.00 177.39 179.03 1mwn n ASP 61 N -4.13 7.75 0.00 -1.43 2.03 0.93 -4.48 116.55 117.21 1mwn n ASP 61 Ca -0.38 -2.54 0.06 0.00 0.52 0.00 0.00 54.79 52.45 1mwn n ASP 61 Cb 0.73 -1.52 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 0.42 0.08 -0.67 0.28 -1.23 -1.12 120.64 121.68 1mwn n GLU 62 Ca 0.68 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.57 1mwn n GLU 62 Cb 0.42 -1.43 -0.04 0.00 1.43 0.00 0.00 31.44 31.82 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 0.39 0.00 -1.84 3.32 -1.89 -3.46 116.42 112.93 1mwn h ASP 63 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1mwn h ASP 63 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1mwn h ASP 63 CO 0.00 1.13 0.00 0.61 -1.72 0.00 0.00 179.24 179.26 1mwn n GLY 64 N 0.97 0.68 0.24 2.75 0.00 -0.28 -4.89 105.19 104.67 1mwn n GLY 64 Ca -0.05 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 0.11 0.74 -2.72 1.61 5.75 -1.26 -4.87 116.55 115.91 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 -4.97 105.19 108.78 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 -5.49 0.79 -0.06 1.61 2.02 -1.26 -2.87 118.70 113.44 1mwn s GLU 67 Ca 0.22 -0.98 0.01 0.00 0.02 0.00 0.00 54.97 54.24 1mwn s GLU 67 Cb -0.10 0.31 0.02 0.00 0.10 0.00 0.00 34.13 34.47 1mwn s GLU 67 CO 0.27 -0.23 -0.07 0.00 0.02 0.00 0.00 175.26 175.25 1mwn s ASP 69 N 1.02 4.94 0.21 0.00 1.01 -1.26 -0.86 116.67 121.73 1mwn s ASP 69 Ca -0.09 0.19 -0.11 0.00 0.71 0.00 0.00 52.55 53.25 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 -1.45 1.66 0.15 0.21 0.00 0.00 175.17 175.74 1mwn h PHE 70 N -0.33 -0.05 -1.00 4.23 3.04 -1.97 0.21 116.94 121.08 1mwn h PHE 70 Ca -0.43 0.04 0.01 0.00 3.98 0.00 0.00 57.97 61.57 1mwn h PHE 70 Cb 1.30 0.12 -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 0.00 178.31 179.01 1mwn h GLN 71 N 0.11 1.32 -0.45 1.11 4.20 -1.98 -1.10 115.11 118.32 1mwn h GLN 71 Ca 0.31 -0.09 -0.13 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 0.88 -0.25 0.93 -0.67 0.00 0.00 178.83 179.21 1mwn h GLU 72 N 1.36 0.93 -0.93 1.46 5.08 -1.20 -2.50 114.58 118.77 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 -0.14 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1mwn h GLU 72 CO -0.08 1.07 0.62 0.35 -1.00 0.00 0.00 179.01 179.97 1mwn h PHE 73 N 0.80 1.17 -0.84 4.33 3.57 -0.00 -1.36 116.94 124.61 1mwn h PHE 73 Ca 0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1mwn h PHE 73 Cb 0.81 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1mwn h PHE 73 CO 0.05 0.74 0.50 0.52 -2.23 0.00 0.00 178.31 177.89 1mwn h MET 74 N 1.26 1.14 0.00 1.11 2.86 -0.95 -1.46 114.93 118.89 1mwn h MET 74 Ca 0.34 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1mwn h MET 74 Cb -0.15 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.27 1mwn h MET 74 CO -0.07 0.80 -0.24 0.00 1.06 0.00 0.00 176.91 178.46 1mwn h ALA 75 N 1.39 1.55 -0.99 6.32 0.00 -0.82 -2.21 119.26 124.49 1mwn h ALA 75 Ca 0.30 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1mwn h ALA 75 Cb -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1mwn h ALA 75 CO -0.06 0.30 0.65 0.35 0.00 0.00 0.00 179.25 180.50 1mwn h PHE 76 N 0.00 1.24 -0.60 0.00 3.57 -0.81 0.15 116.94 120.48 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 38.74 1mwn h PHE 76 CO 0.00 0.76 -0.00 0.28 -2.23 0.00 0.00 178.31 177.12 1mwn h VAL 77 N 1.32 1.27 -0.29 1.41 2.07 -1.40 -2.31 116.25 118.32 1mwn h VAL 77 Ca 0.37 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1mwn h VAL 77 Cb -0.12 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 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 0.97 0.38 -0.40 0.57 0.87 -0.63 1.53 113.55 116.83 1mwn h SER 78 Ca 0.17 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 1mwn h SER 78 Cb 0.57 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1mwn h SER 78 CO 0.03 0.41 -0.36 0.00 -0.53 0.00 0.00 176.83 176.38 1mwn h MET 79 N 0.32 0.95 -0.01 2.24 -0.00 -0.73 0.79 114.93 118.49 1mwn h MET 79 Ca 0.10 -0.49 -0.21 0.00 -0.00 0.00 0.00 59.70 59.10 1mwn h MET 79 Cb 0.13 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 31.74 1mwn h MET 79 CO -0.01 1.15 -0.90 0.28 -0.00 0.00 0.00 176.91 177.43 1mwn h VAL 80 N 0.77 1.42 -0.41 -0.10 2.07 -1.32 -1.20 116.25 117.49 1mwn h VAL 80 Ca 0.07 -2.45 -0.15 0.00 0.82 0.00 0.00 66.70 64.98 1mwn h VAL 80 Cb 0.96 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1mwn h VAL 80 CO 0.09 0.73 -0.33 0.74 0.02 0.00 0.00 177.57 178.82 1mwn h THR 81 N 0.20 1.27 -0.58 2.57 2.02 0.23 -2.55 112.91 116.07 1mwn h THR 81 Ca -0.06 -1.50 -0.11 0.00 0.77 0.00 0.00 66.41 65.51 1mwn h THR 81 Cb 1.52 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 1mwn h THR 81 CO 0.15 0.51 -0.05 0.74 0.37 0.00 0.00 175.52 177.24 1mwn h THR 82 N 0.79 1.27 -0.49 3.16 2.02 0.68 -1.26 112.91 119.08 1mwn h THR 82 Ca 0.08 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1mwn h THR 82 Cb 0.92 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1mwn h THR 82 CO 0.09 0.44 0.32 0.00 0.37 0.00 0.00 175.52 176.73 1mwn h ALA 83 N 0.96 0.62 -0.23 6.16 0.00 -1.08 0.35 119.26 126.05 1mwn h ALA 83 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1mwn h ALA 83 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1mwn h ALA 83 CO 0.04 0.09 0.11 0.00 0.00 0.00 0.00 179.25 179.49 1mwn h HIS 85 N 0.24 1.25 -1.00 0.00 6.17 -0.81 -1.74 115.15 119.27 1mwn h HIS 85 Ca 0.08 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 29.56 1mwn h HIS 85 CO -0.03 0.80 0.65 1.49 0.71 0.00 0.00 177.93 181.55 1mwn h GLU 86 N 1.35 1.32 -5.96 5.26 4.81 0.26 -3.39 114.58 118.22 1mwn h GLU 86 Ca 0.36 -0.09 -0.56 0.00 -0.13 0.00 0.00 59.36 58.94 1mwn h GLU 86 Cb -0.14 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 28.94 1mwn h GLU 86 CO -0.08 0.88 1.48 0.12 -0.73 0.00 0.00 179.01 180.68 1mwn s PHE 87 N -6.09 1.28 -0.25 0.92 5.36 -0.46 -4.92 117.98 113.83 1mwn s PHE 87 Ca -0.13 0.77 -0.20 0.00 -0.96 0.00 0.00 56.93 56.41 1mwn s PHE 87 Cb 0.18 -3.90 -0.02 0.00 -0.34 0.00 0.00 43.02 38.94 1mwn s PHE 87 CO 0.82 -3.49 0.63 -0.06 -1.46 0.00 0.00 175.22 171.66 1mwn s PHE 88 N 8.88 3.28 -0.49 10.12 0.08 -1.26 -4.98 117.98 133.61 1mwn s PHE 88 Ca 0.95 0.82 -0.28 0.00 0.12 0.00 0.00 56.93 58.54 1mwn s PHE 88 Cb -0.27 -2.84 0.01 0.00 -0.57 0.00 0.00 43.02 39.35 1mwn s PHE 88 CO 0.32 -0.32 1.45 -2.00 -0.10 0.00 0.00 175.22 174.57 1mwn s GLU 89 N 2.50 3.40 0.24 0.44 2.12 -1.26 -4.86 118.70 121.28 1mwn s GLU 89 Ca 0.26 0.72 -0.07 0.00 0.36 0.00 0.00 54.97 56.24 1mwn s GLU 89 Cb -0.15 -4.09 0.23 0.00 0.26 0.00 0.00 34.13 30.37 1mwn s GLU 89 CO 0.08 -1.80 1.89 1.25 -0.54 0.00 0.00 175.26 176.15 1mwn h HIS 90 N 11.14 1.22 0.00 5.30 -0.00 -2.03 -3.57 115.15 127.21 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 1.10 -0.40 0.00 0.00 -0.00 0.00 0.00 27.41 28.11 1mwn h HIS 90 CO 1.00 0.80 0.00 0.39 -0.00 0.00 0.00 177.93 180.12