#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 0.83 0.00 1.43 4.81 -2.06 -2.92 114.58 116.66 1mwn h GLU 2 Ca 0.00 -0.43 -0.04 0.00 -0.13 0.00 0.00 59.36 58.76 1mwn h GLU 2 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1mwn h GLU 2 CO 0.00 1.07 -0.18 1.25 -0.73 0.00 0.00 179.01 180.42 1mwn h LEU 3 N 0.68 0.00 -0.13 1.64 6.46 -2.06 -3.07 115.31 118.83 1mwn h LEU 3 Ca 0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1mwn h LEU 3 Cb 0.96 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 1mwn h LEU 3 CO 0.09 0.18 0.08 -0.08 -0.62 0.00 0.00 178.44 178.09 1mwn h GLU 4 N 0.00 0.16 -0.26 1.25 4.81 -1.96 -0.46 114.58 118.11 1mwn h GLU 4 Ca -0.00 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1mwn h GLU 4 Cb 0.63 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1mwn h GLU 4 CO 0.02 0.11 -0.42 1.57 -0.73 0.00 0.00 179.01 179.56 1mwn h LYS 5 N 0.16 0.63 -0.82 1.92 2.10 -1.66 -3.08 116.57 115.82 1mwn h LYS 5 Ca 0.05 -0.33 -0.04 0.00 -2.00 0.00 0.00 60.65 58.32 1mwn h LYS 5 Cb -0.01 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 1mwn h LYS 5 CO -0.02 0.93 0.36 0.00 -2.00 0.00 0.00 179.45 178.73 1mwn h ALA 6 N 1.02 1.06 -0.86 0.07 0.00 -1.38 -1.80 119.26 117.37 1mwn h ALA 6 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1mwn h ALA 6 Cb 0.94 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1mwn h ALA 6 CO 0.08 0.67 0.48 0.52 0.00 0.00 0.00 179.25 181.00 1mwn h MET 7 N 1.19 1.19 -0.97 0.00 2.86 -1.01 0.13 114.93 118.31 1mwn h MET 7 Ca 0.28 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1mwn h MET 7 Cb 0.18 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 1mwn h MET 7 CO -0.03 0.86 0.61 0.28 1.06 0.00 0.00 176.91 179.70 1mwn h VAL 8 N 1.19 1.26 -0.31 -2.22 2.07 -1.39 -0.91 116.25 115.94 1mwn h VAL 8 Ca 0.30 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1mwn h VAL 8 Cb 0.01 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.63 1mwn h VAL 8 CO -0.05 0.26 0.06 0.00 0.02 0.00 0.00 177.57 177.86 1mwn h ALA 9 N 1.34 0.41 -0.53 1.67 0.00 -0.34 -1.20 119.26 120.61 1mwn h ALA 9 Ca 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1mwn h ALA 9 Cb -0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1mwn h ALA 9 CO -0.07 0.10 0.35 -0.07 0.00 0.00 0.00 179.25 179.56 1mwn h LEU 10 N 0.34 0.61 -0.06 0.00 4.07 -0.19 0.59 115.31 120.66 1mwn h LEU 10 Ca 0.10 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1mwn h LEU 10 Cb 0.33 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1mwn h LEU 10 CO 0.00 0.44 0.04 0.40 -1.08 0.00 0.00 178.44 178.25 1mwn h ILE 11 N 0.71 1.03 -0.72 1.22 2.04 -1.02 -1.47 117.51 119.31 1mwn h ILE 11 Ca 0.19 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 1mwn h ILE 11 Cb -0.08 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1mwn h ILE 11 CO -0.04 0.03 0.18 -0.78 0.00 0.00 0.00 178.15 177.54 1mwn h ASP 12 N 0.07 1.08 -0.64 1.72 1.82 -0.82 -1.73 116.42 117.92 1mwn h ASP 12 Ca 0.02 -0.23 0.11 0.00 -0.39 0.00 0.00 57.03 56.54 1mwn h ASP 12 Cb 0.02 -0.29 -0.04 0.00 0.68 0.00 0.00 39.33 39.70 1mwn h ASP 12 CO -0.00 1.03 0.43 0.58 -1.61 0.00 0.00 179.24 179.67 1mwn h VAL 13 N 1.08 0.87 -0.16 2.25 2.07 0.58 -0.47 116.25 122.48 1mwn h VAL 13 Ca 0.22 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1mwn h VAL 13 Cb 0.37 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1mwn h VAL 13 CO 0.00 0.08 0.10 0.15 0.02 0.00 0.00 177.57 177.92 1mwn h PHE 14 N 0.42 0.19 -0.20 1.57 3.57 -0.33 -2.81 116.94 119.35 1mwn h PHE 14 Ca 0.30 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.71 1mwn h PHE 14 Cb 0.61 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1mwn h PHE 14 CO -0.00 0.12 -0.28 1.25 -2.23 0.00 0.00 178.31 177.17 1mwn h HIS 15 N 0.21 0.44 -1.01 0.41 2.76 -1.07 0.48 115.15 117.38 1mwn h HIS 15 Ca 0.06 -0.10 0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1mwn h HIS 15 Cb -0.02 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 28.78 1mwn h HIS 15 CO -0.07 0.64 0.67 1.96 -1.30 0.00 0.00 177.93 179.83 1mwn h GLN 16 N 0.35 1.32 0.00 5.26 4.20 -1.04 0.92 115.11 126.12 1mwn h GLN 16 Ca 0.05 -0.08 -0.37 0.00 0.06 0.00 0.00 58.65 58.31 1mwn h GLN 16 Cb 0.68 -0.30 -0.07 0.00 0.30 0.00 0.00 27.48 28.09 1mwn h GLN 16 CO 0.05 0.88 -2.41 0.66 -0.67 0.00 0.00 178.83 177.33 1mwn n TYR 17 N -4.38 0.00 -0.14 2.96 4.01 -1.18 -4.01 117.16 114.42 1mwn n TYR 17 Ca 0.12 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.74 1mwn n TYR 17 Cb 0.01 -0.99 -0.01 0.00 -0.31 0.00 0.00 39.34 38.04 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 1.02 0.00 7.72 0.87 -0.05 -2.12 113.55 120.99 1mwn h SER 18 Ca -0.56 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 1mwn h SER 18 Cb 2.07 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 1mwn h SER 18 CO -0.03 1.23 0.00 0.61 -0.53 0.00 0.00 176.83 178.12 1mwn n GLY 19 N 0.02 -0.91 0.31 5.77 0.00 0.31 -3.43 105.19 107.27 1mwn n GLY 19 Ca -0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 1.06 -5.84 1.61 2.43 -1.51 -3.44 114.38 108.69 1mwn h ARG 20 Ca 0.00 -0.29 -0.62 0.00 -0.81 0.00 0.00 59.98 58.25 1mwn h ARG 20 Cb 0.00 -0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 29.30 1mwn h ARG 20 CO 0.00 0.99 -0.64 -1.21 -1.51 0.00 0.00 179.97 177.60 1mwn s GLU 21 N -5.13 1.89 0.27 0.20 2.02 -1.22 -5.04 118.70 111.69 1mwn s GLU 21 Ca -0.11 -1.99 -0.04 0.00 0.02 0.00 0.00 54.97 52.85 1mwn s GLU 21 Cb 0.14 -1.69 0.36 0.00 0.10 0.00 0.00 34.13 33.04 1mwn s GLU 21 CO 0.85 0.06 1.92 0.78 0.02 0.00 0.00 175.26 178.90 1mwn h GLY 22 N 1.91 1.38 -6.63 -1.39 0.00 -1.86 -3.29 103.07 93.20 1mwn h GLY 22 Ca -0.43 -0.48 -0.63 0.00 0.00 0.00 0.00 47.33 45.79 1mwn h GLY 22 CO 0.74 0.43 2.03 2.09 0.00 0.00 0.00 176.54 181.84 1mwn n ASP 23 N -4.43 2.15 0.17 0.19 5.75 -1.26 -4.57 116.55 114.56 1mwn n ASP 23 Ca 0.13 -2.64 0.01 0.00 -0.01 0.00 0.00 54.79 52.28 1mwn n ASP 23 Cb 0.08 -0.98 0.29 0.00 -1.03 0.00 0.00 41.12 39.48 1mwn n ASP 23 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1mwn h LYS 24 N 8.47 0.00 -0.06 0.11 3.64 -1.71 -2.99 116.57 124.03 1mwn h LYS 24 Ca 0.38 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.61 1mwn h LYS 24 Cb 0.68 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1mwn h LYS 24 CO 1.96 0.46 -0.60 0.45 -2.27 0.00 0.00 179.45 179.46 1mwn h HIS 25 N 0.00 0.27 -3.98 1.91 3.86 -1.88 -3.45 115.15 111.87 1mwn h HIS 25 Ca -0.00 -0.10 -0.56 0.00 -1.16 0.00 0.00 60.37 58.54 1mwn h HIS 25 Cb 0.82 -0.05 -0.23 0.00 1.06 0.00 0.00 27.41 29.02 1mwn h HIS 25 CO 0.00 0.75 -0.83 0.15 0.86 0.00 0.00 177.93 178.86 1mwn s LYS 26 N -3.76 1.18 -0.24 2.45 1.02 -1.13 -4.37 119.74 114.89 1mwn s LYS 26 Ca -0.04 -1.11 -0.07 0.00 0.02 0.00 0.00 55.97 54.78 1mwn s LYS 26 Cb 0.12 -1.41 -0.03 0.00 -0.52 0.00 0.00 37.83 36.00 1mwn s LYS 26 CO 0.79 0.33 0.05 -0.51 -0.92 0.00 0.00 175.35 175.09 1mwn s LEU 27 N -1.74 3.35 0.42 3.17 1.43 -0.18 -4.73 118.68 120.40 1mwn s LEU 27 Ca 0.07 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 1mwn s LEU 27 Cb -0.10 -1.89 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 1mwn s LEU 27 CO 0.04 -0.02 0.87 -0.75 0.23 0.00 0.00 176.35 176.72 1mwn s LYS 28 N 1.52 4.01 0.40 1.70 2.20 -1.26 0.81 119.74 129.12 1mwn s LYS 28 Ca 0.06 0.83 0.24 0.00 -0.36 0.00 0.00 55.97 56.74 1mwn s LYS 28 Cb -0.15 -2.27 1.31 0.00 -1.51 0.00 0.00 37.83 35.21 1mwn s LYS 28 CO 0.02 -0.05 1.64 1.57 -0.36 0.00 0.00 175.35 178.18 1mwn h LYS 29 N 1.60 0.15 -0.83 4.03 2.10 -1.90 1.00 116.57 122.73 1mwn h LYS 29 Ca -0.48 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 1mwn h LYS 29 Cb 1.18 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.44 1mwn h LYS 29 CO 0.63 0.10 0.46 0.77 -2.00 0.00 0.00 179.45 179.41 1mwn h SER 30 N 0.16 1.03 -0.37 7.07 0.02 -1.90 0.19 113.55 119.74 1mwn h SER 30 Ca 0.78 -0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 61.47 1mwn h SER 30 Cb 2.22 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 64.50 1mwn h SER 30 CO -0.50 0.83 -0.42 -0.33 -1.14 0.00 0.00 176.83 175.27 1mwn h GLU 31 N 1.15 0.93 -0.05 3.45 5.08 0.68 -2.88 114.58 122.95 1mwn h GLU 31 Ca 0.29 -0.51 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1mwn h GLU 31 Cb 0.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1mwn h GLU 31 CO -0.05 1.17 -0.49 1.25 -1.00 0.00 0.00 179.01 179.89 1mwn h LEU 32 N 0.75 0.14 -1.00 1.33 5.85 -1.03 -2.40 115.31 118.96 1mwn h LEU 32 Ca 0.05 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1mwn h LEU 32 Cb 1.02 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1mwn h LEU 32 CO 0.10 0.61 0.65 0.50 -0.34 0.00 0.00 178.44 179.96 1mwn h LYS 33 N 0.11 1.18 -0.61 1.25 3.64 -0.43 0.25 116.57 121.94 1mwn h LYS 33 Ca 0.00 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1mwn h LYS 33 Cb 0.90 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1mwn h LYS 33 CO 0.07 0.78 0.00 0.93 -2.27 0.00 0.00 179.45 178.96 1mwn h GLU 34 N 1.21 1.08 -0.11 1.90 4.39 -1.26 0.92 114.58 122.71 1mwn h GLU 34 Ca 0.42 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.79 1mwn h GLU 34 Cb 0.10 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1mwn h GLU 34 CO -0.16 1.05 0.02 1.25 -1.16 0.00 0.00 179.01 180.01 1mwn h LEU 35 N 0.99 0.01 -0.11 1.33 7.12 -0.68 0.59 115.31 124.55 1mwn h LEU 35 Ca 0.17 0.02 -0.05 0.00 0.13 0.00 0.00 57.88 58.15 1mwn h LEU 35 Cb 0.56 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1mwn h LEU 35 CO 0.03 0.02 -0.12 0.40 -0.13 0.00 0.00 178.44 178.64 1mwn h ILE 36 N 0.07 1.36 0.00 4.05 2.04 -0.85 -1.99 117.51 122.19 1mwn h ILE 36 Ca 0.05 -1.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.53 1mwn h ILE 36 Cb 0.04 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1mwn h ILE 36 CO -0.06 0.37 -0.31 -1.13 0.00 0.00 0.00 178.15 177.02 1mwn h ASN 37 N -0.13 0.00 0.66 1.72 -1.24 -0.72 0.17 115.58 116.04 1mwn h ASN 37 Ca 0.02 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.77 1mwn h ASN 37 Cb 0.66 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.66 1mwn h ASN 37 CO 0.03 0.31 -1.48 -1.13 -1.29 0.00 0.00 177.43 173.88 1mwn h ASN 38 N 0.00 0.00 0.00 1.15 -0.00 0.18 -3.10 115.58 113.81 1mwn h ASN 38 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.14 1mwn h ASN 38 Cb 0.89 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.18 1mwn h ASN 38 CO 0.04 0.97 -2.02 -0.62 -0.00 0.00 0.00 177.43 175.80 1mwn n GLU 39 N -3.12 0.87 -2.16 6.67 -0.58 -0.75 -4.48 120.64 117.08 1mwn n GLU 39 Ca -0.11 -0.09 -0.26 0.00 -0.42 0.00 0.00 57.16 56.27 1mwn n GLU 39 Cb 1.01 -1.44 0.02 0.00 -0.57 0.00 0.00 31.44 30.45 1mwn n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1mwn n LEU 40 N -2.39 5.07 0.00 -4.62 4.77 0.59 -4.88 117.00 115.54 1mwn n LEU 40 Ca -0.16 -4.92 0.00 0.00 -0.03 0.00 0.00 56.01 50.91 1mwn n LEU 40 Cb 0.78 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1mwn n LEU 40 CO 0.38 2.12 0.00 -1.20 -1.33 0.00 0.00 177.39 177.36 1mwn n SER 41 N -0.62 0.00 -0.00 -1.43 7.64 -1.17 -4.10 113.62 113.94 1mwn n SER 41 Ca 0.43 0.01 0.06 0.00 1.01 0.00 0.00 58.87 60.39 1mwn n SER 41 Cb 0.81 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.93 1mwn n SER 41 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1mwn n HIS 42 N -0.01 0.00 0.08 1.43 8.25 -1.26 -3.77 115.22 119.94 1mwn n HIS 42 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1mwn n HIS 42 Cb 0.00 -0.01 0.21 0.00 1.12 0.00 0.00 29.99 31.31 1mwn n HIS 42 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1mwn h PHE 43 N 0.00 0.33 -1.57 4.41 0.04 -1.91 -3.46 116.94 114.78 1mwn h PHE 43 Ca 0.00 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1mwn h PHE 43 Cb 0.33 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1mwn h PHE 43 CO 0.00 0.65 0.00 1.28 -0.60 0.00 0.00 178.31 179.64 1mwn n LEU 44 N -4.02 0.00 -4.56 1.54 4.77 -1.26 -5.09 117.00 108.38 1mwn n LEU 44 Ca -0.02 0.00 -0.50 0.00 -0.03 0.00 0.00 56.01 55.46 1mwn n LEU 44 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1mwn n LEU 44 CO 0.42 0.00 0.69 1.21 -1.33 0.00 0.00 177.39 178.38 1mwn n GLU 45 N 0.00 0.98 -3.67 3.23 0.00 -1.26 -4.74 120.64 115.18 1mwn n GLU 45 Ca 0.00 0.35 -0.37 0.00 0.00 0.00 0.00 57.16 57.14 1mwn n GLU 45 Cb 0.00 -1.84 -0.10 0.00 0.00 0.00 0.00 31.44 29.50 1mwn n GLU 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1mwn s GLU 46 N -0.26 4.00 -0.45 5.31 -1.05 -1.25 -4.54 118.70 120.47 1mwn s GLU 46 Ca 0.76 -0.30 -0.21 0.00 -0.15 0.00 0.00 54.97 55.06 1mwn s GLU 46 Cb -0.91 -3.53 0.03 0.00 -0.44 0.00 0.00 34.13 29.27 1mwn s GLU 46 CO 0.52 -0.01 0.68 0.42 0.95 0.00 0.00 175.26 177.82 1mwn s ILE 47 N 1.25 4.77 0.00 1.83 -1.09 -1.26 -4.76 121.20 121.94 1mwn s ILE 47 Ca 0.07 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1mwn s ILE 47 Cb -0.14 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 1mwn s ILE 47 CO 0.06 -0.65 0.00 2.29 -1.23 0.00 0.00 174.94 175.41 1mwn n LYS 48 N 6.40 4.92 -4.96 2.79 0.00 -1.26 -4.88 118.16 121.16 1mwn n LYS 48 Ca -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 1mwn n LYS 48 Cb 0.48 -0.40 -0.16 0.00 -0.00 0.00 0.00 35.03 34.94 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 -0.79 2.04 0.58 -1.58 2.56 -1.26 -5.00 118.70 115.24 1mwn s GLU 49 Ca 0.00 -0.70 0.32 0.00 0.00 0.00 0.00 54.97 54.60 1mwn s GLU 49 Cb 0.00 -1.74 1.80 0.00 2.00 0.00 0.00 34.13 36.19 1mwn s GLU 49 CO 0.00 0.28 2.20 -0.56 -0.56 0.00 0.00 175.26 176.62 1mwn h GLN 50 N 6.23 0.00 -1.01 4.30 3.07 -1.99 -2.30 115.11 123.41 1mwn h GLN 50 Ca -0.32 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.43 1mwn h GLN 50 Cb 1.18 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.69 1mwn h GLN 50 CO 0.48 0.04 0.67 1.05 0.09 0.00 0.00 178.83 181.15 1mwn h GLU 51 N 0.00 1.33 -0.27 0.06 -0.00 -1.97 1.00 114.58 114.73 1mwn h GLU 51 Ca -0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.36 59.27 1mwn h GLU 51 Cb 0.15 -0.30 -0.01 0.00 -0.00 0.00 0.00 28.75 28.59 1mwn h GLU 51 CO 0.01 0.88 0.13 0.28 -0.00 0.00 0.00 179.01 180.30 1mwn h VAL 52 N 1.36 1.15 -0.81 -1.06 2.07 -1.83 0.68 116.25 117.81 1mwn h VAL 52 Ca 0.37 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1mwn h VAL 52 Cb -0.16 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1mwn h VAL 52 CO -0.08 0.15 0.54 0.58 0.02 0.00 0.00 177.57 178.78 1mwn h VAL 53 N 0.30 1.21 -0.23 2.57 2.07 -1.34 2.28 116.25 123.11 1mwn h VAL 53 Ca 0.09 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1mwn h VAL 53 Cb 0.12 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1mwn h VAL 53 CO -0.01 0.20 -0.07 -0.78 0.02 0.00 0.00 177.57 176.93 1mwn h ASP 54 N 1.10 0.46 -0.48 0.57 1.82 0.18 1.19 116.42 121.26 1mwn h ASP 54 Ca 0.30 -0.38 -0.14 0.00 -0.39 0.00 0.00 57.03 56.42 1mwn h ASP 54 Cb -0.13 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.74 1mwn h ASP 54 CO -0.06 0.73 -0.24 0.50 -1.61 0.00 0.00 179.24 178.56 1mwn h LYS 55 N 0.18 1.00 -0.25 0.28 3.64 0.89 0.45 116.57 122.76 1mwn h LYS 55 Ca 0.06 -0.44 -0.15 0.00 -1.27 0.00 0.00 60.65 58.85 1mwn h LYS 55 Cb 0.54 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1mwn h LYS 55 CO 0.03 1.12 -0.44 0.28 -2.27 0.00 0.00 179.45 178.16 1mwn h VAL 56 N 0.86 1.30 -0.29 2.00 2.07 0.40 -2.00 116.25 120.58 1mwn h VAL 56 Ca 0.11 -1.63 -0.19 0.00 0.82 0.00 0.00 66.70 65.81 1mwn h VAL 56 Cb 0.82 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1mwn h VAL 56 CO 0.07 0.52 -0.55 0.24 0.02 0.00 0.00 177.57 177.87 1mwn h MET 57 N 0.52 0.89 -0.17 1.57 2.86 0.17 -2.35 114.93 118.41 1mwn h MET 57 Ca 0.04 -0.56 0.05 0.00 -2.06 0.00 0.00 59.70 57.16 1mwn h MET 57 Cb 0.97 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1mwn h MET 57 CO 0.09 1.20 0.12 1.49 1.06 0.00 0.00 176.91 180.87 1mwn h GLU 58 N 0.68 0.02 -0.60 1.72 4.81 0.10 4.05 114.58 125.36 1mwn h GLU 58 Ca 0.01 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1mwn h GLU 58 Cb 1.16 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1mwn h GLU 58 CO 0.12 0.02 -0.03 1.15 -0.73 0.00 0.00 179.01 179.54 1mwn h THR 59 N 0.02 1.27 0.00 0.32 2.02 -0.81 -3.32 112.91 112.41 1mwn h THR 59 Ca 0.08 -1.19 -0.31 0.00 0.77 0.00 0.00 66.41 65.76 1mwn h THR 59 Cb 0.30 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1mwn h THR 59 CO -0.00 0.43 -2.08 0.18 0.37 0.00 0.00 175.52 174.42 1mwn n LEU 60 N -4.17 2.13 -2.50 2.58 4.77 -0.30 -4.53 117.00 114.98 1mwn n LEU 60 Ca 0.03 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1mwn n LEU 60 Cb 0.37 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 1mwn n LEU 60 CO 0.45 0.60 1.52 -0.67 -1.33 0.00 0.00 177.39 177.95 1mwn n ASP 61 N -3.50 3.64 0.00 -1.43 -0.08 1.32 -4.39 116.55 112.12 1mwn n ASP 61 Ca -0.36 -2.15 0.04 0.00 -1.51 0.00 0.00 54.79 50.81 1mwn n ASP 61 Cb 0.81 -0.91 0.21 0.00 2.34 0.00 0.00 41.12 43.57 1mwn n ASP 61 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1mwn n GLU 62 N 3.14 0.35 0.05 -0.67 -0.58 -1.25 -0.87 120.64 120.81 1mwn n GLU 62 Ca 0.31 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.94 1mwn n GLU 62 Cb 0.41 -1.31 -0.13 0.00 -0.57 0.00 0.00 31.44 29.84 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 0.15 0.00 1.62 3.32 -1.90 -3.47 116.42 116.14 1mwn h ASP 63 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1mwn h ASP 63 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1mwn h ASP 63 CO 0.00 1.16 0.00 0.61 -1.72 0.00 0.00 179.24 179.29 1mwn n GLY 64 N 1.50 0.55 0.32 2.75 0.00 -0.05 -4.87 105.19 105.39 1mwn n GLY 64 Ca -0.09 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.12 0.98 -1.65 1.61 5.75 -1.26 -4.88 116.55 117.22 1mwn n ASP 65 Ca 0.00 -1.45 -0.14 0.00 -0.01 0.00 0.00 54.79 53.19 1mwn n ASP 65 Cb 0.00 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.05 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 1.06 -0.21 3.08 6.12 0.00 -1.26 -4.99 105.19 108.98 1mwn n GLY 66 Ca 0.18 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.74 0.48 -0.13 1.61 2.02 -1.26 -2.84 118.70 113.85 1mwn s GLU 67 Ca 0.01 -0.63 -0.00 0.00 0.02 0.00 0.00 54.97 54.37 1mwn s GLU 67 Cb -0.00 0.19 0.02 0.00 0.10 0.00 0.00 34.13 34.44 1mwn s GLU 67 CO 0.01 -0.11 -0.10 0.00 0.02 0.00 0.00 175.26 175.08 1mwn s ASP 69 N 1.60 4.64 0.21 0.00 -1.08 -1.26 -1.01 116.67 119.77 1mwn s ASP 69 Ca 0.05 0.63 -0.13 0.00 -0.52 0.00 0.00 52.55 52.58 1mwn s ASP 69 Cb -0.13 -1.19 0.24 0.00 -1.46 0.00 0.00 42.92 40.38 1mwn s ASP 69 CO -0.09 -1.77 1.64 0.15 0.52 0.00 0.00 175.17 175.63 1mwn h PHE 70 N -0.85 -0.22 -0.86 -5.34 3.04 -1.95 0.44 116.94 111.19 1mwn h PHE 70 Ca -0.45 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.55 1mwn h PHE 70 Cb 1.32 0.19 -0.04 0.00 2.56 0.00 0.00 35.95 39.98 1mwn h PHE 70 CO 0.32 -0.23 0.56 1.96 -2.02 0.00 0.00 178.31 178.90 1mwn h GLN 71 N 0.04 1.14 -0.38 1.11 4.20 -1.96 0.86 115.11 120.11 1mwn h GLN 71 Ca 0.30 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.76 1mwn h GLN 71 Cb 0.46 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1mwn h GLN 71 CO -0.58 0.77 -0.40 0.93 -0.67 0.00 0.00 178.83 178.88 1mwn h GLU 72 N 1.17 0.94 -0.17 1.46 5.08 -1.23 -2.60 114.58 119.24 1mwn h GLU 72 Ca 0.31 -0.51 -0.12 0.00 -1.00 0.00 0.00 59.36 58.04 1mwn h GLU 72 Cb -0.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1mwn h GLU 72 CO -0.07 1.16 -0.43 0.35 -1.00 0.00 0.00 179.01 179.03 1mwn h PHE 73 N 0.76 0.47 -0.54 4.33 3.57 0.26 -2.38 116.94 123.42 1mwn h PHE 73 Ca 0.06 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.45 1mwn h PHE 73 Cb 1.00 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1mwn h PHE 73 CO 0.06 0.76 0.36 1.98 -2.23 0.00 0.00 178.31 179.24 1mwn h MET 74 N 0.33 0.61 0.00 1.11 4.05 0.10 0.23 114.93 121.35 1mwn h MET 74 Ca 0.03 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 1mwn h MET 74 Cb 0.89 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 1mwn h MET 74 CO 0.07 0.40 -0.22 0.00 0.23 0.00 0.00 176.91 177.39 1mwn h ALA 75 N 1.69 1.12 -1.01 0.39 0.00 -1.05 -2.73 119.26 117.66 1mwn h ALA 75 Ca 0.22 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1mwn h ALA 75 Cb 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1mwn h ALA 75 CO -0.06 0.28 0.67 0.35 0.00 0.00 0.00 179.25 180.49 1mwn h PHE 76 N 0.00 1.27 -0.45 0.00 3.04 -0.44 0.80 116.94 121.15 1mwn h PHE 76 Ca -0.00 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.84 1mwn h PHE 76 Cb 0.63 -0.43 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1mwn h PHE 76 CO 0.00 0.80 -0.26 0.28 -2.02 0.00 0.00 178.31 177.11 1mwn h VAL 77 N 1.36 1.27 -0.52 1.41 2.07 -1.47 -2.75 116.25 117.63 1mwn h VAL 77 Ca 0.37 -1.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 1mwn h VAL 77 Cb -0.16 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1mwn h VAL 77 CO -0.08 0.49 0.05 0.28 0.02 0.00 0.00 177.57 178.33 1mwn h SER 78 N 0.82 0.85 -0.33 0.57 0.02 -1.19 0.31 113.55 114.60 1mwn h SER 78 Ca 0.10 -0.28 -0.17 0.00 -0.84 0.00 0.00 61.79 60.59 1mwn h SER 78 Cb 0.84 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1mwn h SER 78 CO 0.07 0.91 -0.47 0.00 -1.14 0.00 0.00 176.83 176.21 1mwn h MET 79 N 0.75 0.91 0.03 3.45 -0.00 -0.87 -1.00 114.93 118.21 1mwn h MET 79 Ca 0.15 -0.53 -0.22 0.00 -0.00 0.00 0.00 59.70 59.11 1mwn h MET 79 Cb 0.44 0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 32.08 1mwn h MET 79 CO 0.02 1.17 -0.98 0.28 -0.00 0.00 0.00 176.91 177.40 1mwn h VAL 80 N 0.72 1.52 -0.56 -0.10 2.07 -1.44 -1.51 116.25 116.95 1mwn h VAL 80 Ca 0.04 -2.82 -0.11 0.00 0.82 0.00 0.00 66.70 64.63 1mwn h VAL 80 Cb 1.07 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 1mwn h VAL 80 CO 0.11 0.82 -0.09 0.74 0.02 0.00 0.00 177.57 179.16 1mwn h THR 81 N 0.09 1.27 -0.38 2.57 2.02 -0.33 -2.56 112.91 115.59 1mwn h THR 81 Ca -0.06 -1.26 -0.16 0.00 0.77 0.00 0.00 66.41 65.70 1mwn h THR 81 Cb 1.65 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1mwn h THR 81 CO 0.15 0.45 -0.40 0.74 0.37 0.00 0.00 175.52 176.83 1mwn h THR 82 N 0.94 1.27 -0.74 3.16 2.02 -1.16 -2.80 112.91 115.60 1mwn h THR 82 Ca 0.15 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 1mwn h THR 82 Cb 0.67 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 1mwn h THR 82 CO 0.05 0.53 0.42 0.00 0.37 0.00 0.00 175.52 176.88 1mwn h ALA 83 N 0.76 0.95 -0.64 6.16 0.00 -1.14 -1.46 119.26 123.90 1mwn h ALA 83 Ca 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1mwn h ALA 83 Cb 1.00 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1mwn h ALA 83 CO 0.10 0.45 0.22 0.00 0.00 0.00 0.00 179.25 180.02 1mwn h HIS 85 N 0.91 1.21 -0.90 0.00 6.17 -1.17 -2.39 115.15 118.99 1mwn h HIS 85 Ca 0.21 -0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.25 1mwn h HIS 85 Cb 0.26 -0.38 -0.04 0.00 2.52 0.00 0.00 27.41 29.76 1mwn h HIS 85 CO 0.02 0.85 0.55 1.49 0.71 0.00 0.00 177.93 181.54 1mwn h GLU 86 N 1.22 1.21 -6.15 5.26 4.81 -0.83 -3.38 114.58 116.72 1mwn h GLU 86 Ca 0.30 -0.11 -0.55 0.00 -0.13 0.00 0.00 59.36 58.88 1mwn h GLU 86 Cb 0.05 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1mwn h GLU 86 CO -0.05 0.85 1.33 0.12 -0.73 0.00 0.00 179.01 180.53 1mwn s PHE 87 N -5.98 1.69 0.00 0.92 2.19 -0.87 -4.95 117.98 110.97 1mwn s PHE 87 Ca -0.13 0.72 0.00 0.00 0.33 0.00 0.00 56.93 57.85 1mwn s PHE 87 Cb 0.17 -4.07 0.00 0.00 -1.31 0.00 0.00 43.02 37.80 1mwn s PHE 87 CO 0.81 -2.85 0.00 1.19 1.83 0.00 0.00 175.22 176.20 1mwn n PHE 88 N 11.26 0.00 0.00 10.12 3.72 -1.26 -4.97 117.46 136.33 1mwn n PHE 88 Ca 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 1mwn n PHE 88 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1mwn n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1mwn n GLU 89 N 0.00 0.00 -0.29 -1.08 -0.58 -1.26 -4.49 120.64 112.94 1mwn n GLU 89 Ca 0.00 0.11 -0.06 0.00 -0.42 0.00 0.00 57.16 56.79 1mwn n GLU 89 Cb 0.00 -0.49 0.07 0.00 -0.57 0.00 0.00 31.44 30.45 1mwn n GLU 89 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1mwn h HIS 90 N 0.00 1.22 -0.03 -0.32 3.86 -2.02 -3.57 115.15 114.30 1mwn h HIS 90 Ca 0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1mwn h HIS 90 Cb 0.00 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.10 1mwn h HIS 90 CO 0.00 0.92 0.00 0.39 0.86 0.00 0.00 177.93 180.10