#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 4.33 4.81 -2.06 -2.18 114.58 120.31 1mwn h GLU 2 Ca 0.00 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1mwn h GLU 2 Cb 0.00 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1mwn h GLU 2 CO 0.00 0.79 -0.09 1.25 -0.73 0.00 0.00 179.01 180.24 1mwn h LEU 3 N 0.79 0.00 0.01 1.64 6.46 -2.06 -2.91 115.31 119.25 1mwn h LEU 3 Ca 0.16 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1mwn h LEU 3 Cb 0.38 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1mwn h LEU 3 CO 0.01 0.09 -0.01 -0.08 -0.62 0.00 0.00 178.44 177.83 1mwn h GLU 4 N 0.00 -0.02 -0.12 1.25 4.81 -1.84 -0.15 114.58 118.51 1mwn h GLU 4 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1mwn h GLU 4 Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1mwn h GLU 4 CO 0.01 -0.01 -0.50 1.57 -0.73 0.00 0.00 179.01 179.35 1mwn h LYS 5 N -0.02 0.31 -0.86 1.92 5.09 -1.66 -2.95 116.57 118.40 1mwn h LYS 5 Ca -0.00 -0.18 0.01 0.00 0.09 0.00 0.00 60.65 60.57 1mwn h LYS 5 Cb 0.01 0.01 -0.04 0.00 0.10 0.00 0.00 32.23 32.31 1mwn h LYS 5 CO 0.00 0.74 0.57 0.00 -2.09 0.00 0.00 179.45 178.67 1mwn h ALA 6 N 1.23 1.09 -0.94 0.07 0.00 -1.25 -1.62 119.26 117.84 1mwn h ALA 6 Ca 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1mwn h ALA 6 Cb 0.97 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1mwn h ALA 6 CO 0.08 0.50 0.62 1.98 0.00 0.00 0.00 179.25 182.43 1mwn h MET 7 N 1.16 1.24 -1.00 0.00 1.85 -0.87 -1.15 114.93 116.17 1mwn h MET 7 Ca 0.31 -0.07 0.01 0.00 -0.61 0.00 0.00 59.70 59.34 1mwn h MET 7 Cb -0.13 -0.28 -0.05 0.00 0.43 0.00 0.00 31.60 31.57 1mwn h MET 7 CO -0.07 0.82 0.66 0.28 -0.40 0.00 0.00 176.91 178.20 1mwn h VAL 8 N 1.27 1.26 -0.59 -5.77 2.07 -1.26 -0.93 116.25 112.29 1mwn h VAL 8 Ca 0.35 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1mwn h VAL 8 Cb -0.15 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.39 1mwn h VAL 8 CO -0.08 0.25 0.14 0.00 0.02 0.00 0.00 177.57 177.91 1mwn h ALA 9 N 1.37 0.78 -0.49 1.67 0.00 -0.52 -0.38 119.26 121.70 1mwn h ALA 9 Ca 0.37 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1mwn h ALA 9 Cb -0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1mwn h ALA 9 CO -0.08 0.49 -0.21 -0.07 0.00 0.00 0.00 179.25 179.38 1mwn h LEU 10 N 0.86 1.03 -0.55 0.00 4.07 -0.73 0.28 115.31 120.27 1mwn h LEU 10 Ca 0.19 -0.39 -0.08 0.00 0.08 0.00 0.00 57.88 57.68 1mwn h LEU 10 Cb 0.35 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 1mwn h LEU 10 CO 0.00 1.19 0.05 0.40 -1.08 0.00 0.00 178.44 179.00 1mwn h ILE 11 N 0.86 1.26 -0.24 1.22 2.04 -0.99 -0.48 117.51 121.18 1mwn h ILE 11 Ca 0.11 -1.04 -0.19 0.00 1.00 0.00 0.00 64.86 64.74 1mwn h ILE 11 Cb 0.79 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1mwn h ILE 11 CO 0.07 0.38 -0.58 0.44 0.00 0.00 0.00 178.15 178.45 1mwn h ASP 12 N 0.83 0.94 -0.20 1.72 3.32 -0.90 -2.80 116.42 119.32 1mwn h ASP 12 Ca 0.16 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1mwn h ASP 12 Cb 0.48 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1mwn h ASP 12 CO 0.02 1.33 0.13 0.58 -1.72 0.00 0.00 179.24 179.58 1mwn h VAL 13 N 0.59 1.05 0.00 -1.35 2.07 -0.25 -1.25 116.25 117.12 1mwn h VAL 13 Ca -0.00 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1mwn h VAL 13 Cb 1.20 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1mwn h VAL 13 CO 0.13 0.05 -0.00 0.15 0.02 0.00 0.00 177.57 177.92 1mwn h PHE 14 N 0.28 -0.00 0.00 1.57 3.57 -0.81 -2.77 116.94 118.78 1mwn h PHE 14 Ca 0.07 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 1mwn h PHE 14 Cb -0.03 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1mwn h PHE 14 CO 0.00 0.00 -0.51 1.25 -2.23 0.00 0.00 178.31 176.82 1mwn h HIS 15 N -0.00 0.00 -1.01 0.41 2.76 -1.35 0.00 115.15 115.96 1mwn h HIS 15 Ca -0.00 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1mwn h HIS 15 Cb 0.00 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.91 1mwn h HIS 15 CO -0.08 0.51 0.67 1.96 -1.30 0.00 0.00 177.93 179.69 1mwn h GLN 16 N 0.00 1.33 0.00 5.26 1.08 -0.96 -3.21 115.11 118.60 1mwn h GLN 16 Ca -0.01 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1mwn h GLN 16 Cb 1.04 -0.30 -0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1mwn h GLN 16 CO 0.07 0.88 -1.16 0.66 -0.95 0.00 0.00 178.83 178.33 1mwn n TYR 17 N -4.38 0.00 -0.07 2.96 4.02 -1.19 -4.49 117.16 114.00 1mwn n TYR 17 Ca 0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.96 1mwn n TYR 17 Cb 0.01 -0.09 0.14 0.00 -0.02 0.00 0.00 39.34 39.39 1mwn n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1mwn h SER 18 N 0.00 0.71 -0.34 7.72 4.64 -1.10 -2.56 113.55 122.63 1mwn h SER 18 Ca -0.01 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1mwn h SER 18 Cb 0.33 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1mwn h SER 18 CO 0.00 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 1mwn n GLY 19 N -0.44 0.77 0.22 -0.77 0.00 -1.21 -4.12 105.19 99.64 1mwn n GLY 19 Ca 0.01 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 2.41 0.79 -3.38 1.61 2.43 -1.68 -3.47 114.38 113.10 1mwn h ARG 20 Ca 0.00 -0.67 -0.11 0.00 -0.81 0.00 0.00 59.98 58.39 1mwn h ARG 20 Cb 0.54 0.14 -0.18 0.00 -0.42 0.00 0.00 29.97 30.06 1mwn h ARG 20 CO 0.00 1.27 -0.35 -1.21 -1.51 0.00 0.00 179.97 178.17 1mwn s GLU 21 N -3.71 0.68 1.53 0.20 2.02 -1.26 -5.12 118.70 113.05 1mwn s GLU 21 Ca -0.10 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1mwn s GLU 21 Cb 0.08 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.60 1mwn s GLU 21 CO 0.91 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.40 1mwn n GLY 22 N 0.91 -1.48 3.81 -1.39 0.00 -1.26 -4.73 105.19 101.04 1mwn n GLY 22 Ca -0.20 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 1mwn n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mwn s ASP 23 N -4.00 6.44 0.26 1.61 1.01 -1.26 -4.89 116.67 115.84 1mwn s ASP 23 Ca 0.00 1.83 -0.04 0.00 0.71 0.00 0.00 52.55 55.05 1mwn s ASP 23 Cb 0.00 -2.55 0.32 0.00 1.01 0.00 0.00 42.92 41.70 1mwn s ASP 23 CO 0.00 -0.71 1.90 0.11 0.21 0.00 0.00 175.17 176.68 1mwn h LYS 24 N 1.47 1.17 0.00 8.23 1.57 -1.87 -1.75 116.57 125.38 1mwn h LYS 24 Ca -0.49 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1mwn h LYS 24 Cb 1.21 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1mwn h LYS 24 CO 0.59 0.83 0.00 0.72 -0.57 0.00 0.00 179.45 181.02 1mwn n HIS 25 N -4.36 0.00 -4.28 -1.35 8.25 -1.26 -4.64 115.22 107.57 1mwn n HIS 25 Ca 0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 1mwn n HIS 25 Cb 0.07 -0.15 -0.13 0.00 1.12 0.00 0.00 29.99 30.91 1mwn n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1mwn s LYS 26 N -2.30 0.94 -0.24 -0.41 -0.14 -0.66 -3.72 119.74 113.21 1mwn s LYS 26 Ca 0.38 -0.92 0.03 0.00 -1.36 0.00 0.00 55.97 54.10 1mwn s LYS 26 Cb 0.21 -1.00 0.05 0.00 -1.68 0.00 0.00 37.83 35.41 1mwn s LYS 26 CO 0.42 0.24 -0.13 -0.51 -0.76 0.00 0.00 175.35 174.60 1mwn s LEU 27 N -1.52 3.15 0.35 3.17 1.43 0.17 -4.15 118.68 121.28 1mwn s LEU 27 Ca 0.01 -1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 51.71 1mwn s LEU 27 Cb -0.09 -1.53 -0.09 0.00 0.03 0.00 0.00 46.19 44.50 1mwn s LEU 27 CO 0.02 -0.15 0.80 -0.75 0.23 0.00 0.00 176.35 176.50 1mwn s LYS 28 N 1.14 4.09 0.37 1.70 2.20 -1.26 0.43 119.74 128.40 1mwn s LYS 28 Ca -0.06 0.81 0.21 0.00 -0.36 0.00 0.00 55.97 56.57 1mwn s LYS 28 Cb -0.18 -2.40 1.33 0.00 -1.51 0.00 0.00 37.83 35.07 1mwn s LYS 28 CO -0.07 0.12 1.59 1.57 -0.36 0.00 0.00 175.35 178.20 1mwn h LYS 29 N 2.24 0.03 -0.40 4.03 2.10 -1.93 0.76 116.57 123.40 1mwn h LYS 29 Ca -0.48 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.13 1mwn h LYS 29 Cb 1.18 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.48 1mwn h LYS 29 CO 0.64 0.02 0.09 0.66 -2.00 0.00 0.00 179.45 178.86 1mwn h SER 30 N 0.03 0.61 0.25 7.07 4.64 -1.91 0.08 113.55 124.32 1mwn h SER 30 Ca 0.84 -0.24 -0.11 0.00 -0.47 0.00 0.00 61.79 61.81 1mwn h SER 30 Cb 2.20 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 64.12 1mwn h SER 30 CO -0.75 0.69 -0.43 -0.08 -0.87 0.00 0.00 176.83 175.38 1mwn h GLU 31 N 0.51 0.24 -0.30 4.77 4.81 0.07 -2.70 114.58 121.97 1mwn h GLU 31 Ca 0.13 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1mwn h GLU 31 Cb 0.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1mwn h GLU 31 CO 0.00 0.63 -0.28 1.25 -0.73 0.00 0.00 179.01 179.88 1mwn h LEU 32 N 0.20 0.63 -0.48 1.64 6.46 -0.52 -2.38 115.31 120.87 1mwn h LEU 32 Ca 0.02 -0.24 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1mwn h LEU 32 Cb 0.85 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 1mwn h LEU 32 CO 0.07 0.88 0.31 0.50 -0.62 0.00 0.00 178.44 179.58 1mwn h LYS 33 N 0.53 0.62 -0.17 1.25 3.64 -0.65 -1.31 116.57 120.49 1mwn h LYS 33 Ca 0.07 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1mwn h LYS 33 Cb 0.76 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1mwn h LYS 33 CO 0.06 0.41 -0.46 1.05 -2.27 0.00 0.00 179.45 178.24 1mwn h GLU 34 N 0.64 0.42 0.24 1.90 4.11 -1.47 -0.57 114.58 119.85 1mwn h GLU 34 Ca 0.17 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1mwn h GLU 34 Cb -0.07 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1mwn h GLU 34 CO -0.04 0.80 -0.11 1.25 0.07 0.00 0.00 179.01 180.97 1mwn h LEU 35 N 0.34 -0.27 -0.24 3.06 5.85 -0.90 -0.07 115.31 123.09 1mwn h LEU 35 Ca 0.02 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1mwn h LEU 35 Cb 0.94 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1mwn h LEU 35 CO 0.08 -0.19 -0.26 0.40 -0.34 0.00 0.00 178.44 178.13 1mwn h ILE 36 N -0.32 1.32 -0.82 4.05 2.04 -1.20 -1.79 117.51 120.78 1mwn h ILE 36 Ca -0.03 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.41 1mwn h ILE 36 Cb 0.24 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1mwn h ILE 36 CO 0.05 0.45 0.55 -1.13 0.00 0.00 0.00 178.15 178.06 1mwn h ASN 37 N 0.29 0.95 0.46 1.72 -0.73 -1.02 0.34 115.58 117.60 1mwn h ASN 37 Ca 0.04 -0.02 -0.30 0.00 1.87 0.00 0.00 56.30 57.88 1mwn h ASN 37 Cb 0.82 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.17 1mwn h ASN 37 CO 0.06 0.69 -1.46 -1.13 -0.37 0.00 0.00 177.43 175.21 1mwn h ASN 38 N 1.12 0.46 0.11 1.15 -1.24 -0.98 -2.75 115.58 113.46 1mwn h ASN 38 Ca 0.30 -0.58 -0.28 0.00 0.71 0.00 0.00 56.30 56.45 1mwn h ASN 38 Cb -0.13 -0.15 0.03 0.00 0.73 0.00 0.00 38.32 38.80 1mwn h ASN 38 CO -0.07 1.48 -1.17 -0.33 -1.29 0.00 0.00 177.43 176.05 1mwn h GLU 39 N 0.08 0.59 -1.90 6.67 5.08 -1.19 -3.28 114.58 120.63 1mwn h GLU 39 Ca -0.22 -0.79 -0.75 0.00 -1.00 0.00 0.00 59.36 56.60 1mwn h GLU 39 Cb 2.03 0.26 -0.28 0.00 0.50 0.00 0.00 28.75 31.25 1mwn h GLU 39 CO 0.19 1.35 0.92 1.28 -1.00 0.00 0.00 179.01 181.75 1mwn n LEU 40 N -3.86 7.34 0.00 1.33 4.77 0.12 -4.86 117.00 121.85 1mwn n LEU 40 Ca -0.14 -4.83 0.00 0.00 -0.03 0.00 0.00 56.01 51.01 1mwn n LEU 40 Cb 0.95 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1mwn n LEU 40 CO 0.57 1.78 0.00 -1.20 -1.33 0.00 0.00 177.39 177.20 1mwn n SER 41 N -0.56 0.00 -0.03 -1.43 7.64 -1.04 -3.83 113.62 114.38 1mwn n SER 41 Ca 0.53 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.43 1mwn n SER 41 Cb 0.29 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.48 1mwn n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mwn n HIS 42 N 0.00 0.00 0.13 1.43 1.44 -1.26 -4.03 115.22 112.94 1mwn n HIS 42 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1mwn n HIS 42 Cb 0.00 0.00 0.23 0.00 0.12 0.00 0.00 29.99 30.34 1mwn n HIS 42 CO 0.00 0.00 0.00 0.74 -2.81 0.00 0.00 176.34 174.27 1mwn h PHE 43 N 0.16 0.11 -0.79 -1.40 -1.00 -1.90 -3.46 116.94 108.64 1mwn h PHE 43 Ca 0.00 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1mwn h PHE 43 Cb 0.10 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.64 1mwn h PHE 43 CO 0.00 0.56 0.00 1.28 -1.61 0.00 0.00 178.31 178.54 1mwn n LEU 44 N -3.96 0.00 -4.66 1.54 4.77 -1.26 -5.09 117.00 108.34 1mwn n LEU 44 Ca -0.02 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.51 1mwn n LEU 44 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1mwn n LEU 44 CO 0.41 0.00 1.00 1.21 -1.33 0.00 0.00 177.39 178.68 1mwn n GLU 45 N 0.00 1.93 -3.88 3.23 4.07 -1.26 -4.76 120.64 119.97 1mwn n GLU 45 Ca 0.00 0.69 -0.36 0.00 -0.06 0.00 0.00 57.16 57.43 1mwn n GLU 45 Cb 0.00 -2.34 -0.12 0.00 -0.06 0.00 0.00 31.44 28.92 1mwn n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1mwn s GLU 46 N -0.24 3.66 -0.44 5.31 2.12 -1.25 -4.46 118.70 123.39 1mwn s GLU 46 Ca 0.70 -0.48 -0.21 0.00 0.36 0.00 0.00 54.97 55.34 1mwn s GLU 46 Cb -0.68 -3.23 0.03 0.00 0.26 0.00 0.00 34.13 30.50 1mwn s GLU 46 CO 0.49 -0.09 0.64 0.42 -0.54 0.00 0.00 175.26 176.18 1mwn s ILE 47 N 1.31 4.83 0.00 -3.70 -1.09 -1.26 -4.76 121.20 116.53 1mwn s ILE 47 Ca 0.05 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1mwn s ILE 47 Cb -0.15 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 1mwn s ILE 47 CO 0.03 -0.61 0.06 2.29 -1.23 0.00 0.00 174.94 175.47 1mwn n LYS 48 N 6.26 3.33 -5.03 2.79 0.00 -1.26 -4.81 118.16 119.43 1mwn n LYS 48 Ca -0.02 -0.06 -0.28 0.00 -0.00 0.00 0.00 58.31 57.95 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 -0.49 1.98 0.56 -1.58 2.56 -1.26 -5.01 118.70 115.45 1mwn s GLU 49 Ca 0.00 -0.75 0.31 0.00 0.00 0.00 0.00 54.97 54.54 1mwn s GLU 49 Cb 0.00 -1.76 1.65 0.00 2.00 0.00 0.00 34.13 36.02 1mwn s GLU 49 CO 0.00 0.36 2.13 -0.56 -0.56 0.00 0.00 175.26 176.63 1mwn h GLN 50 N 5.97 0.00 -0.99 4.30 3.07 -1.99 -2.76 115.11 122.71 1mwn h GLN 50 Ca -0.35 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.41 1mwn h GLN 50 Cb 1.16 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.67 1mwn h GLN 50 CO 0.48 0.07 0.66 1.05 0.09 0.00 0.00 178.83 181.17 1mwn h GLU 51 N 0.00 1.29 -0.07 0.06 4.11 -1.97 1.70 114.58 119.70 1mwn h GLU 51 Ca -0.00 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 1mwn h GLU 51 Cb 0.26 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1mwn h GLU 51 CO 0.01 0.85 0.02 0.28 0.07 0.00 0.00 179.01 180.25 1mwn h VAL 52 N 1.33 1.15 -0.48 -1.06 2.07 -1.91 0.33 116.25 117.69 1mwn h VAL 52 Ca 0.37 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1mwn h VAL 52 Cb -0.13 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1mwn h VAL 52 CO -0.09 0.13 0.31 0.58 0.02 0.00 0.00 177.57 178.53 1mwn h VAL 53 N -0.06 1.12 -0.35 2.57 2.07 -1.41 2.22 116.25 122.41 1mwn h VAL 53 Ca 0.02 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1mwn h VAL 53 Cb 0.18 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1mwn h VAL 53 CO -0.00 0.12 0.18 -0.78 0.02 0.00 0.00 177.57 177.11 1mwn h ASP 54 N 0.64 0.44 -0.28 0.57 1.82 0.29 2.88 116.42 122.78 1mwn h ASP 54 Ca 0.18 -0.10 -0.16 0.00 -0.39 0.00 0.00 57.03 56.55 1mwn h ASP 54 Cb -0.07 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 1mwn h ASP 54 CO -0.04 0.42 -0.43 0.11 -1.61 0.00 0.00 179.24 177.69 1mwn h LYS 55 N 0.43 0.84 0.01 0.28 1.57 0.26 -0.66 116.57 119.30 1mwn h LYS 55 Ca 0.12 -0.46 -0.20 0.00 -1.87 0.00 0.00 60.65 58.23 1mwn h LYS 55 Cb 0.08 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1mwn h LYS 55 CO -0.02 1.10 -0.91 0.28 -0.57 0.00 0.00 179.45 179.34 1mwn h VAL 56 N 0.68 1.50 -0.13 0.50 2.07 0.40 -2.16 116.25 119.10 1mwn h VAL 56 Ca 0.05 -2.68 -0.07 0.00 0.82 0.00 0.00 66.70 64.82 1mwn h VAL 56 Cb 1.01 2.51 -0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1mwn h VAL 56 CO 0.10 0.78 -0.19 -0.03 0.02 0.00 0.00 177.57 178.25 1mwn h MET 57 N 0.10 0.37 -0.11 1.57 1.85 0.52 0.61 114.93 119.85 1mwn h MET 57 Ca -0.05 -0.22 -0.04 0.00 -0.61 0.00 0.00 59.70 58.78 1mwn h MET 57 Cb 1.55 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.59 1mwn h MET 57 CO 0.14 0.79 -0.13 1.49 -0.40 0.00 0.00 176.91 178.80 1mwn h GLU 58 N -0.03 0.17 -0.40 0.39 4.81 -1.17 2.72 114.58 121.08 1mwn h GLU 58 Ca 0.01 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 1mwn h GLU 58 Cb 0.75 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1mwn h GLU 58 CO 0.04 0.31 -0.37 1.15 -0.73 0.00 0.00 179.01 179.42 1mwn h THR 59 N 0.17 1.27 0.00 0.32 2.02 -1.07 -2.85 112.91 112.77 1mwn h THR 59 Ca 0.03 -1.54 -0.06 0.00 0.77 0.00 0.00 66.41 65.62 1mwn h THR 59 Cb 0.33 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1mwn h THR 59 CO 0.02 0.52 -0.75 -0.11 0.37 0.00 0.00 175.52 175.57 1mwn n LEU 60 N -4.06 1.83 -3.11 2.58 7.94 0.18 -4.29 117.00 118.07 1mwn n LEU 60 Ca -0.02 0.56 -0.35 0.00 -1.11 0.00 0.00 56.01 55.10 1mwn n LEU 60 Cb 0.54 -0.88 -0.05 0.00 0.53 0.00 0.00 43.42 43.56 1mwn n LEU 60 CO 0.48 -0.28 2.87 -0.67 -1.11 0.00 0.00 177.39 178.68 1mwn n ASP 61 N -4.56 8.01 0.00 1.96 2.03 0.90 -4.57 116.55 120.33 1mwn n ASP 61 Ca -0.14 -2.70 0.03 0.00 0.52 0.00 0.00 54.79 52.50 1mwn n ASP 61 Cb 0.38 -1.48 0.19 0.00 -0.72 0.00 0.00 41.12 39.49 1mwn n ASP 61 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1mwn n GLU 62 N 2.92 0.35 0.14 -0.67 2.13 -1.07 -1.19 120.64 123.25 1mwn n GLU 62 Ca 0.69 0.00 0.02 0.00 0.66 0.00 0.00 57.16 58.53 1mwn n GLU 62 Cb 0.35 -1.29 0.14 0.00 0.27 0.00 0.00 31.44 30.91 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1mwn h ASP 63 N 0.00 0.00 0.00 4.31 3.32 -1.85 -3.46 116.42 118.74 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 0.55 0.00 0.61 -1.72 0.00 0.00 179.24 178.68 1mwn n GLY 64 N 0.77 0.51 0.33 2.75 0.00 -0.33 -4.86 105.19 104.37 1mwn n GLY 64 Ca 0.01 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 0.01 1.04 -1.26 1.61 5.75 -1.26 -4.88 116.55 117.56 1mwn n ASP 65 Ca 0.00 -1.35 -0.12 0.00 -0.01 0.00 0.00 54.79 53.32 1mwn n ASP 65 Cb 0.00 -0.00 -0.01 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 1.12 0.11 3.16 6.12 0.00 -1.26 -5.00 105.19 109.45 1mwn n GLY 66 Ca 0.21 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.32 0.64 -0.08 1.61 2.02 -1.26 -3.22 118.70 114.09 1mwn s GLU 67 Ca 0.00 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.41 1mwn s GLU 67 Cb 0.00 0.26 0.02 0.00 0.10 0.00 0.00 34.13 34.51 1mwn s GLU 67 CO 0.00 -0.18 -0.09 0.00 0.02 0.00 0.00 175.26 175.01 1mwn s ASP 69 N 1.06 4.57 0.25 0.00 1.01 -1.26 0.43 116.67 122.73 1mwn s ASP 69 Ca -0.07 0.69 -0.04 0.00 0.71 0.00 0.00 52.55 53.84 1mwn s ASP 69 Cb -0.14 -1.22 0.37 0.00 1.01 0.00 0.00 42.92 42.93 1mwn s ASP 69 CO -0.01 -1.84 1.86 2.19 0.21 0.00 0.00 175.17 177.59 1mwn h PHE 70 N -0.95 1.08 -0.90 4.23 -5.15 -1.91 0.33 116.94 113.67 1mwn h PHE 70 Ca -0.46 0.03 0.01 0.00 -0.20 0.00 0.00 57.97 57.35 1mwn h PHE 70 Cb 1.33 -0.35 -0.04 0.00 0.22 0.00 0.00 35.95 37.10 1mwn h PHE 70 CO 0.31 0.55 0.59 0.37 -2.00 0.00 0.00 178.31 178.13 1mwn h GLN 71 N 1.05 1.18 -0.81 6.09 -0.00 -1.92 -1.41 115.11 119.29 1mwn h GLN 71 Ca 0.40 -0.07 -0.04 0.00 -0.00 0.00 0.00 58.65 58.94 1mwn h GLN 71 Cb 0.18 -0.27 -0.04 0.00 0.00 0.00 0.00 27.48 27.36 1mwn h GLN 71 CO -0.18 0.78 0.33 0.93 0.00 0.00 0.00 178.83 180.70 1mwn h GLU 72 N 1.21 1.20 -0.91 1.69 5.08 -1.35 -2.04 114.58 119.47 1mwn h GLU 72 Ca 0.33 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1mwn h GLU 72 Cb -0.14 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 28.87 1mwn h GLU 72 CO -0.07 0.97 0.60 0.35 -1.00 0.00 0.00 179.01 179.85 1mwn h PHE 73 N 1.17 1.14 -0.42 4.33 3.57 -0.09 -0.23 116.94 126.42 1mwn h PHE 73 Ca 0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1mwn h PHE 73 Cb 0.21 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1mwn h PHE 73 CO 0.02 0.72 0.28 1.98 -2.23 0.00 0.00 178.31 179.08 1mwn h MET 74 N 1.23 0.55 -0.10 1.11 4.05 -0.57 -1.28 114.93 119.93 1mwn h MET 74 Ca 0.33 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.62 1mwn h MET 74 Cb -0.14 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.52 1mwn h MET 74 CO -0.07 0.37 -0.39 0.00 0.23 0.00 0.00 176.91 177.04 1mwn h ALA 75 N 1.74 1.15 -1.00 0.39 0.00 -0.78 -2.84 119.26 117.91 1mwn h ALA 75 Ca 0.15 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1mwn h ALA 75 Cb -0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1mwn h ALA 75 CO -0.03 0.57 0.67 0.35 0.00 0.00 0.00 179.25 180.80 1mwn h PHE 76 N 0.18 1.26 -1.01 0.00 3.57 -0.90 -0.21 116.94 119.84 1mwn h PHE 76 Ca 0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1mwn h PHE 76 Cb 0.78 -0.43 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 1mwn h PHE 76 CO 0.01 0.80 0.67 0.28 -2.23 0.00 0.00 178.31 177.84 1mwn h VAL 77 N 1.36 1.26 -0.92 1.41 2.07 -1.45 -1.70 116.25 118.28 1mwn h VAL 77 Ca 0.37 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1mwn h VAL 77 Cb -0.16 -0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.34 1mwn h VAL 77 CO -0.08 0.25 0.61 -1.28 0.02 0.00 0.00 177.57 177.09 1mwn h SER 78 N 1.37 1.05 -0.28 0.57 0.87 -0.98 1.36 113.55 117.51 1mwn h SER 78 Ca 0.37 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1mwn h SER 78 Cb -0.16 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.53 1mwn h SER 78 CO -0.08 0.76 0.11 0.24 -0.53 0.00 0.00 176.83 177.33 1mwn h MET 79 N 1.24 0.42 0.00 2.24 2.07 -0.50 -1.33 114.93 119.08 1mwn h MET 79 Ca 0.34 -0.08 -0.18 0.00 -2.07 0.00 0.00 59.70 57.71 1mwn h MET 79 Cb -0.14 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 29.50 1mwn h MET 79 CO -0.08 0.45 -0.90 0.28 1.07 0.00 0.00 176.91 177.73 1mwn h VAL 80 N 0.31 1.36 -0.62 -2.22 2.07 -1.09 -2.49 116.25 113.56 1mwn h VAL 80 Ca 0.09 -2.96 -0.09 0.00 0.82 0.00 0.00 66.70 64.56 1mwn h VAL 80 Cb 0.18 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1mwn h VAL 80 CO -0.01 0.78 0.02 0.74 0.02 0.00 0.00 177.57 179.12 1mwn h THR 81 N 0.00 1.27 -0.08 2.57 2.02 0.20 -1.93 112.91 116.95 1mwn h THR 81 Ca -0.03 -1.14 -0.25 0.00 0.77 0.00 0.00 66.41 65.77 1mwn h THR 81 Cb 1.66 0.76 0.02 0.00 -1.74 0.00 0.00 68.15 68.84 1mwn h THR 81 CO 0.10 0.42 -0.92 0.71 0.37 0.00 0.00 175.52 176.20 1mwn h THR 82 N 1.00 1.27 -0.93 3.16 1.35 -1.29 -2.92 112.91 114.55 1mwn h THR 82 Ca 0.18 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.93 1mwn h THR 82 Cb 0.54 2.18 -0.05 0.00 -1.73 0.00 0.00 68.15 69.10 1mwn h THR 82 CO 0.03 0.66 0.59 0.00 -0.25 0.00 0.00 175.52 176.55 1mwn h ALA 83 N 0.47 1.18 -0.41 6.62 0.00 -1.31 -0.48 119.26 125.34 1mwn h ALA 83 Ca -0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1mwn h ALA 83 Cb 1.56 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1mwn h ALA 83 CO 0.18 0.61 0.09 0.00 0.00 0.00 0.00 179.25 180.13 1mwn h HIS 85 N 0.53 1.22 -0.99 0.00 6.17 -1.23 -2.64 115.15 118.21 1mwn h HIS 85 Ca 0.13 -0.07 0.01 0.00 0.71 0.00 0.00 60.37 61.14 1mwn h HIS 85 Cb 0.33 -0.37 -0.05 0.00 2.52 0.00 0.00 27.41 29.84 1mwn h HIS 85 CO 0.02 0.90 0.65 0.93 0.71 0.00 0.00 177.93 181.14 1mwn h GLU 86 N 1.19 1.31 -1.00 5.26 5.08 -0.87 -2.28 114.58 123.27 1mwn h GLU 86 Ca 0.28 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1mwn h GLU 86 Cb 0.16 -0.29 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1mwn h GLU 86 CO -0.03 0.87 0.66 0.35 -1.00 0.00 0.00 179.01 179.87 1mwn h PHE 87 N 1.35 1.26 -3.59 4.33 3.57 -1.09 -3.38 116.94 119.39 1mwn h PHE 87 Ca 0.36 0.03 -0.66 0.00 3.53 0.00 0.00 57.97 61.23 1mwn h PHE 87 Cb -0.14 -0.43 -0.16 0.00 2.79 0.00 0.00 35.95 38.01 1mwn h PHE 87 CO 0.00 0.80 -0.10 -0.06 -2.23 0.00 0.00 178.31 176.72 1mwn s PHE 88 N -6.11 3.16 -0.04 0.41 0.08 -0.86 -4.85 117.98 109.78 1mwn s PHE 88 Ca -0.13 -0.04 0.08 0.00 0.12 0.00 0.00 56.93 56.96 1mwn s PHE 88 Cb 0.18 -2.95 -0.12 0.00 -0.57 0.00 0.00 43.02 39.56 1mwn s PHE 88 CO 0.82 -0.62 0.19 -0.85 -0.10 0.00 0.00 175.22 174.65 1mwn n GLU 89 N 5.74 0.56 -0.38 0.44 -0.00 -1.26 -4.55 120.64 121.19 1mwn n GLU 89 Ca -0.06 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.16 57.01 1mwn n GLU 89 Cb 0.48 -1.17 0.11 0.00 -0.00 0.00 0.00 31.44 30.86 1mwn n GLU 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1mwn h HIS 90 N 0.00 1.26 0.00 -1.84 2.76 -1.96 -3.54 115.15 111.84 1mwn h HIS 90 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1mwn h HIS 90 Cb 0.35 -0.43 0.00 0.00 1.55 0.00 0.00 27.41 28.89 1mwn h HIS 90 CO 0.00 0.80 0.00 0.39 -1.30 0.00 0.00 177.93 177.82