#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwn h GLU 2 N 0.00 1.30 -0.12 1.43 4.81 -2.06 -1.26 114.58 118.68 1mwn h GLU 2 Ca 0.00 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1mwn h GLU 2 Cb 0.00 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.09 1mwn h GLU 2 CO 0.00 0.89 0.20 1.25 -0.73 0.00 0.00 179.01 180.62 1mwn h LEU 3 N 1.33 0.00 -0.06 1.64 6.46 -2.05 -2.53 115.31 120.10 1mwn h LEU 3 Ca 0.35 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.11 1mwn h LEU 3 Cb -0.10 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.83 1mwn h LEU 3 CO -0.07 0.00 0.04 -0.08 -0.62 0.00 0.00 178.44 177.71 1mwn h GLU 4 N 0.00 0.07 0.00 1.25 4.81 -1.67 0.60 114.58 119.65 1mwn h GLU 4 Ca 0.06 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1mwn h GLU 4 Cb 0.46 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1mwn h GLU 4 CO -0.00 0.05 -0.45 1.57 -0.73 0.00 0.00 179.01 179.45 1mwn h LYS 5 N 0.08 0.00 -0.02 1.92 2.10 -1.61 -3.04 116.57 115.99 1mwn h LYS 5 Ca 0.02 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.42 1mwn h LYS 5 Cb -0.01 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.34 1mwn h LYS 5 CO -0.01 0.45 -0.97 0.00 -2.00 0.00 0.00 179.45 176.92 1mwn h ALA 6 N 1.55 0.15 -0.47 0.07 0.00 -1.35 -2.88 119.26 116.32 1mwn h ALA 6 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1mwn h ALA 6 Cb 0.82 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1mwn h ALA 6 CO 0.06 0.66 0.31 1.98 0.00 0.00 0.00 179.25 182.26 1mwn h MET 7 N 0.38 0.62 -0.87 0.00 1.85 0.30 -0.61 114.93 116.60 1mwn h MET 7 Ca -0.11 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 58.92 1mwn h MET 7 Cb 1.63 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 33.48 1mwn h MET 7 CO 0.19 0.41 0.47 -0.39 -0.40 0.00 0.00 176.91 177.20 1mwn h VAL 8 N 0.64 1.25 -0.51 -5.77 -1.51 -1.61 -0.86 116.25 107.89 1mwn h VAL 8 Ca 0.17 -0.63 0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1mwn h VAL 8 Cb -0.07 0.08 -0.03 0.00 -2.13 0.00 0.00 31.29 29.14 1mwn h VAL 8 CO -0.04 0.29 0.33 0.00 -1.23 0.00 0.00 177.57 176.92 1mwn h ALA 9 N 1.30 0.64 -0.57 5.19 0.00 -1.09 0.68 119.26 125.40 1mwn h ALA 9 Ca 0.31 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1mwn h ALA 9 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1mwn h ALA 9 CO -0.05 0.08 0.03 -0.07 0.00 0.00 0.00 179.25 179.24 1mwn h LEU 10 N 0.68 0.95 -0.50 0.00 4.07 -0.61 1.68 115.31 121.58 1mwn h LEU 10 Ca 0.19 -0.29 -0.04 0.00 0.08 0.00 0.00 57.88 57.81 1mwn h LEU 10 Cb -0.07 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.39 1mwn h LEU 10 CO -0.04 1.01 0.14 0.40 -1.08 0.00 0.00 178.44 178.87 1mwn h ILE 11 N 0.87 1.23 -0.03 1.22 2.04 -0.52 -0.53 117.51 121.79 1mwn h ILE 11 Ca 0.16 -0.79 -0.19 0.00 1.00 0.00 0.00 64.86 65.04 1mwn h ILE 11 Cb 0.50 0.81 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1mwn h ILE 11 CO 0.02 0.29 -0.73 -0.78 0.00 0.00 0.00 178.15 176.95 1mwn h ASP 12 N 0.68 0.69 -0.59 1.72 1.82 0.65 -3.07 116.42 118.32 1mwn h ASP 12 Ca 0.16 -0.72 0.07 0.00 -0.39 0.00 0.00 57.03 56.14 1mwn h ASP 12 Cb 0.29 -0.21 -0.04 0.00 0.68 0.00 0.00 39.33 40.06 1mwn h ASP 12 CO -0.00 1.32 0.39 0.58 -1.61 0.00 0.00 179.24 179.92 1mwn h VAL 13 N 0.13 0.98 -0.23 2.25 2.07 0.26 -0.02 116.25 121.69 1mwn h VAL 13 Ca -0.08 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1mwn h VAL 13 Cb 1.41 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1mwn h VAL 13 CO 0.15 0.10 0.12 0.15 0.02 0.00 0.00 177.57 178.10 1mwn h PHE 14 N 0.54 0.22 -0.03 1.57 3.57 -1.00 -2.29 116.94 119.53 1mwn h PHE 14 Ca 0.26 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.66 1mwn h PHE 14 Cb 0.33 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1mwn h PHE 14 CO -0.00 0.13 -0.49 1.25 -2.23 0.00 0.00 178.31 176.97 1mwn h HIS 15 N 0.25 0.08 -0.46 0.41 2.76 -1.07 -0.07 115.15 117.05 1mwn h HIS 15 Ca 0.09 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1mwn h HIS 15 Cb 0.02 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 1mwn h HIS 15 CO -0.09 0.54 0.30 1.96 -1.30 0.00 0.00 177.93 179.34 1mwn h GLN 16 N 0.05 0.60 0.00 5.26 4.20 -0.48 -2.87 115.11 121.87 1mwn h GLN 16 Ca -0.00 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.43 1mwn h GLN 16 Cb 0.89 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 1mwn h GLN 16 CO 0.07 0.39 -2.02 2.48 -0.67 0.00 0.00 178.83 179.08 1mwn n TYR 17 N -4.77 0.00 -0.26 2.96 4.11 -1.15 -4.40 117.16 113.65 1mwn n TYR 17 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.91 1mwn n TYR 17 Cb 0.03 -0.71 0.21 0.00 -0.00 0.00 0.00 39.34 38.86 1mwn n TYR 17 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1mwn h SER 18 N 0.00 0.94 0.00 9.48 4.64 -1.10 0.12 113.55 127.63 1mwn h SER 18 Ca -0.36 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1mwn h SER 18 Cb 1.79 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1mwn h SER 18 CO 0.02 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1mwn n GLY 19 N -1.40 -0.74 0.35 -0.77 0.00 -1.08 -3.66 105.19 97.89 1mwn n GLY 19 Ca 0.09 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 0.97 -4.51 1.61 2.43 -0.98 -3.45 114.38 110.45 1mwn h ARG 20 Ca 0.00 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 58.89 1mwn h ARG 20 Cb 0.00 -0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 29.19 1mwn h ARG 20 CO 0.00 0.65 -0.61 -1.83 -1.51 0.00 0.00 179.97 176.66 1mwn s GLU 21 N -5.81 1.13 0.54 0.20 -1.05 -1.24 -5.02 118.70 107.44 1mwn s GLU 21 Ca -0.11 -1.56 0.33 0.00 -0.15 0.00 0.00 54.97 53.48 1mwn s GLU 21 Cb 0.18 0.27 1.49 0.00 -0.44 0.00 0.00 34.13 35.63 1mwn s GLU 21 CO 0.78 -0.36 1.86 0.78 0.95 0.00 0.00 175.26 179.27 1mwn h GLY 22 N 2.68 0.00 -6.07 -3.83 0.00 -1.89 -3.22 103.07 90.74 1mwn h GLY 22 Ca -0.35 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.47 1mwn h GLY 22 CO 0.54 0.00 2.30 1.34 0.00 0.00 0.00 176.54 180.72 1mwn n ASP 23 N -4.19 3.22 0.08 0.19 -0.08 -1.26 -4.47 116.55 110.03 1mwn n ASP 23 Ca 0.20 -2.49 -0.06 0.00 -1.51 0.00 0.00 54.79 50.92 1mwn n ASP 23 Cb 1.02 -1.04 0.09 0.00 2.34 0.00 0.00 41.12 43.53 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 7.39 0.27 -0.14 -0.67 1.57 -1.75 -3.17 116.57 120.07 1mwn h LYS 24 Ca 0.42 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.85 1mwn h LYS 24 Cb 0.44 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1mwn h LYS 24 CO 1.71 0.83 -0.51 0.45 -0.57 0.00 0.00 179.45 181.36 1mwn h HIS 25 N 0.20 0.49 -3.48 -1.35 3.86 -1.91 -3.46 115.15 109.50 1mwn h HIS 25 Ca -0.01 -0.16 -0.39 0.00 -1.16 0.00 0.00 60.37 58.64 1mwn h HIS 25 Cb 1.18 -0.10 -0.17 0.00 1.06 0.00 0.00 27.41 29.39 1mwn h HIS 25 CO 0.03 0.83 -0.75 0.15 0.86 0.00 0.00 177.93 179.05 1mwn s LYS 26 N -4.00 1.05 -0.21 2.45 1.02 -1.20 -4.45 119.74 114.41 1mwn s LYS 26 Ca -0.06 -1.31 -0.07 0.00 0.02 0.00 0.00 55.97 54.56 1mwn s LYS 26 Cb 0.12 -0.84 -0.03 0.00 -0.52 0.00 0.00 37.83 36.56 1mwn s LYS 26 CO 0.81 0.15 0.05 -0.51 -0.92 0.00 0.00 175.35 174.92 1mwn s LEU 27 N -2.68 3.49 0.25 3.17 1.43 0.19 -4.71 118.68 119.81 1mwn s LEU 27 Ca 0.12 -0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 1mwn s LEU 27 Cb -0.03 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 1mwn s LEU 27 CO 0.03 0.06 0.55 -0.75 0.23 0.00 0.00 176.35 176.46 1mwn s LYS 28 N 1.05 3.73 0.37 1.70 2.20 -1.26 0.16 119.74 127.68 1mwn s LYS 28 Ca 0.03 0.16 0.21 0.00 -0.36 0.00 0.00 55.97 56.01 1mwn s LYS 28 Cb -0.14 -2.65 1.30 0.00 -1.51 0.00 0.00 37.83 34.83 1mwn s LYS 28 CO 0.03 0.27 1.60 1.57 -0.36 0.00 0.00 175.35 178.46 1mwn h LYS 29 N 2.20 0.08 -0.73 4.03 2.10 -1.93 1.61 116.57 123.92 1mwn h LYS 29 Ca -0.47 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.12 1mwn h LYS 29 Cb 1.18 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.46 1mwn h LYS 29 CO 0.68 0.05 0.26 0.66 -2.00 0.00 0.00 179.45 179.10 1mwn h SER 30 N 0.08 1.04 -0.52 7.07 4.64 -1.92 0.17 113.55 124.11 1mwn h SER 30 Ca 0.82 -0.19 -0.12 0.00 -0.47 0.00 0.00 61.79 61.84 1mwn h SER 30 Cb 2.17 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.97 1mwn h SER 30 CO -0.70 0.95 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.75 1mwn h GLU 31 N 1.07 1.01 -0.29 4.77 5.08 0.19 -2.75 114.58 123.66 1mwn h GLU 31 Ca 0.24 -0.39 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1mwn h GLU 31 Cb 0.26 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1mwn h GLU 31 CO -0.01 1.07 -0.29 1.25 -1.00 0.00 0.00 179.01 180.03 1mwn h LEU 32 N 0.88 0.60 -1.01 1.33 5.85 -0.69 -2.11 115.31 120.16 1mwn h LEU 32 Ca 0.13 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.71 1mwn h LEU 32 Cb 0.70 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1mwn h LEU 32 CO 0.05 0.86 0.64 0.50 -0.34 0.00 0.00 178.44 180.16 1mwn h LYS 33 N 0.51 1.08 -0.52 1.25 3.64 -0.39 0.15 116.57 122.29 1mwn h LYS 33 Ca 0.07 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1mwn h LYS 33 Cb 0.76 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1mwn h LYS 33 CO 0.06 0.71 -0.16 1.49 -2.27 0.00 0.00 179.45 179.29 1mwn h GLU 34 N 1.11 1.03 -0.05 1.90 4.57 -1.19 0.17 114.58 122.11 1mwn h GLU 34 Ca 0.46 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1mwn h GLU 34 Cb 0.29 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1mwn h GLU 34 CO -0.21 1.10 0.03 1.25 -1.18 0.00 0.00 179.01 180.00 1mwn h LEU 35 N 0.90 0.05 -0.18 1.64 7.12 -0.18 0.86 115.31 125.52 1mwn h LEU 35 Ca 0.13 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 57.97 1mwn h LEU 35 Cb 0.74 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.86 1mwn h LEU 35 CO 0.06 0.04 -0.53 0.40 -0.13 0.00 0.00 178.44 178.28 1mwn h ILE 36 N 0.07 1.32 0.00 4.05 2.04 -0.78 -1.75 117.51 122.45 1mwn h ILE 36 Ca 0.02 -1.77 -0.06 0.00 1.00 0.00 0.00 64.86 64.06 1mwn h ILE 36 Cb -0.00 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1mwn h ILE 36 CO -0.01 0.55 -0.27 -1.13 0.00 0.00 0.00 178.15 177.29 1mwn h ASN 37 N 0.36 0.00 0.35 1.72 -1.24 -0.53 0.19 115.58 116.43 1mwn h ASN 37 Ca -0.02 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.67 1mwn h ASN 37 Cb 1.15 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.16 1mwn h ASN 37 CO 0.11 0.27 -1.82 -3.20 -1.29 0.00 0.00 177.43 171.51 1mwn n ASN 38 N -3.35 1.38 -0.06 1.15 5.15 0.30 -3.69 115.26 116.13 1mwn n ASN 38 Ca 0.01 0.34 -0.07 0.00 -0.60 0.00 0.00 54.58 54.26 1mwn n ASN 38 Cb 0.50 -0.39 -0.08 0.00 -0.53 0.00 0.00 39.78 39.27 1mwn n ASN 38 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1mwn n GLU 39 N -3.22 1.68 -0.88 1.20 4.71 -0.66 -4.49 120.64 118.97 1mwn n GLU 39 Ca -0.23 0.02 0.07 0.00 -0.01 0.00 0.00 57.16 57.01 1mwn n GLU 39 Cb 1.05 -1.29 0.41 0.00 -1.01 0.00 0.00 31.44 30.60 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 -2.55 5.69 0.00 -4.62 7.99 0.62 -4.74 117.00 119.39 1mwn n LEU 40 Ca -0.20 -2.89 0.00 0.00 -0.01 0.00 0.00 56.01 52.91 1mwn n LEU 40 Cb 0.84 -0.68 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 1mwn n LEU 40 CO 0.21 0.65 0.00 -1.54 -1.51 0.00 0.00 177.39 175.20 1mwn n SER 41 N 0.68 0.00 0.11 -1.43 3.41 -0.84 -3.24 113.62 112.30 1mwn n SER 41 Ca 0.28 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.96 1mwn n SER 41 Cb 1.18 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 65.14 1mwn n SER 41 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1mwn h HIS 42 N 0.00 0.00 -0.02 7.33 -0.00 -1.88 -3.27 115.15 117.32 1mwn h HIS 42 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1mwn h HIS 42 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1mwn h HIS 42 CO 0.00 0.24 -0.05 0.74 -0.00 0.00 0.00 177.93 178.86 1mwn h PHE 43 N 0.00 0.02 -0.56 5.26 0.04 -1.85 -3.45 116.94 116.39 1mwn h PHE 43 Ca -0.05 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1mwn h PHE 43 Cb 1.22 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.37 1mwn h PHE 43 CO 0.00 0.07 0.00 1.28 -0.60 0.00 0.00 178.31 179.06 1mwn n LEU 44 N -4.47 0.00 -4.60 1.54 4.77 -1.20 -5.11 117.00 107.93 1mwn n LEU 44 Ca -0.03 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.50 1mwn n LEU 44 Cb 0.14 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1mwn n LEU 44 CO 0.35 0.00 0.68 1.21 -1.33 0.00 0.00 177.39 178.30 1mwn n GLU 45 N 0.00 1.42 -3.63 3.23 0.00 -1.25 -4.69 120.64 115.72 1mwn n GLU 45 Ca 0.00 0.50 -0.37 0.00 0.00 0.00 0.00 57.16 57.29 1mwn n GLU 45 Cb 0.00 -1.95 -0.10 0.00 0.00 0.00 0.00 31.44 29.38 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 -1.09 3.99 -0.25 5.31 -1.05 -1.23 -4.35 118.70 120.03 1mwn s GLU 46 Ca 0.64 -0.31 -0.19 0.00 -0.15 0.00 0.00 54.97 54.96 1mwn s GLU 46 Cb -0.73 -3.60 -0.03 0.00 -0.44 0.00 0.00 34.13 29.33 1mwn s GLU 46 CO 0.57 -0.08 0.55 0.42 0.95 0.00 0.00 175.26 177.66 1mwn s ILE 47 N 1.47 5.05 0.00 1.83 -1.09 -1.26 -4.83 121.20 122.37 1mwn s ILE 47 Ca 0.07 0.98 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 1mwn s ILE 47 Cb -0.15 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1mwn s ILE 47 CO 0.08 0.08 0.00 2.29 -1.23 0.00 0.00 174.94 176.16 1mwn n LYS 48 N 5.47 2.53 -4.37 2.79 -0.00 -1.26 -4.85 118.16 118.47 1mwn n LYS 48 Ca -0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.02 1mwn n LYS 48 Cb 0.50 -0.25 -0.12 0.00 -0.00 0.00 0.00 35.03 35.15 1mwn n LYS 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1mwn s GLU 49 N -0.36 1.37 0.44 -1.58 0.41 -1.26 -5.01 118.70 112.71 1mwn s GLU 49 Ca 0.00 -1.41 0.24 0.00 -0.41 0.00 0.00 54.97 53.40 1mwn s GLU 49 Cb 0.00 -1.66 0.88 0.00 -1.78 0.00 0.00 34.13 31.57 1mwn s GLU 49 CO 0.00 0.37 1.80 -0.56 -0.49 0.00 0.00 175.26 176.38 1mwn h GLN 50 N 3.48 0.00 -0.44 1.61 3.07 -1.99 -3.16 115.11 117.68 1mwn h GLN 50 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1mwn h GLN 50 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.73 1mwn h GLN 50 CO 0.46 0.20 0.29 1.05 0.09 0.00 0.00 178.83 180.92 1mwn h GLU 51 N 0.00 0.59 -0.42 0.06 4.11 -1.97 1.67 114.58 118.61 1mwn h GLU 51 Ca -0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1mwn h GLU 51 Cb 0.78 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1mwn h GLU 51 CO 0.03 0.40 0.22 0.28 0.07 0.00 0.00 179.01 180.01 1mwn h VAL 52 N 0.60 1.17 -0.57 -1.06 2.07 -1.97 0.32 116.25 116.81 1mwn h VAL 52 Ca 0.16 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1mwn h VAL 52 Cb -0.05 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1mwn h VAL 52 CO -0.03 0.18 0.34 0.58 0.02 0.00 0.00 177.57 178.65 1mwn h VAL 53 N 0.55 1.17 -0.40 2.57 2.07 -1.40 1.34 116.25 122.15 1mwn h VAL 53 Ca 0.15 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1mwn h VAL 53 Cb 0.08 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1mwn h VAL 53 CO -0.02 0.18 0.14 -0.78 0.02 0.00 0.00 177.57 177.11 1mwn h ASP 54 N 0.76 0.58 -0.34 0.57 1.82 0.33 2.63 116.42 122.76 1mwn h ASP 54 Ca 0.20 -0.19 -0.15 0.00 -0.39 0.00 0.00 57.03 56.50 1mwn h ASP 54 Cb -0.01 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 1mwn h ASP 54 CO -0.04 0.61 -0.35 0.11 -1.61 0.00 0.00 179.24 177.96 1mwn h LYS 55 N 0.51 0.89 0.03 0.28 1.57 0.03 0.20 116.57 120.07 1mwn h LYS 55 Ca 0.13 -0.44 -0.22 0.00 -1.87 0.00 0.00 60.65 58.25 1mwn h LYS 55 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1mwn h LYS 55 CO -0.01 1.09 -0.96 0.28 -0.57 0.00 0.00 179.45 179.28 1mwn h VAL 56 N 0.73 1.51 -0.06 0.50 2.07 0.21 -2.76 116.25 118.45 1mwn h VAL 56 Ca 0.07 -2.78 -0.20 0.00 0.82 0.00 0.00 66.70 64.61 1mwn h VAL 56 Cb 0.93 2.60 0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1mwn h VAL 56 CO 0.09 0.81 -0.74 -0.03 0.02 0.00 0.00 177.57 177.72 1mwn h MET 57 N 0.10 0.61 -0.08 1.57 1.85 0.47 -2.95 114.93 116.51 1mwn h MET 57 Ca -0.06 -0.58 -0.02 0.00 -0.61 0.00 0.00 59.70 58.43 1mwn h MET 57 Cb 1.63 0.14 -0.01 0.00 0.43 0.00 0.00 31.60 33.80 1mwn h MET 57 CO 0.15 1.19 -0.05 1.49 -0.40 0.00 0.00 176.91 179.29 1mwn h GLU 58 N 0.25 0.11 -0.38 0.39 4.81 -0.66 2.70 114.58 121.79 1mwn h GLU 58 Ca -0.07 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1mwn h GLU 58 Cb 1.40 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 1mwn h GLU 58 CO 0.15 0.17 0.04 1.15 -0.73 0.00 0.00 179.01 179.80 1mwn h THR 59 N 0.11 1.20 0.00 0.32 2.02 -1.31 -3.12 112.91 112.13 1mwn h THR 59 Ca 0.03 -0.75 -0.33 0.00 0.77 0.00 0.00 66.41 66.13 1mwn h THR 59 Cb 0.16 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1mwn h THR 59 CO 0.01 0.26 -2.22 0.18 0.37 0.00 0.00 175.52 174.12 1mwn n LEU 60 N -4.29 2.66 -2.84 2.58 7.99 -0.59 -4.48 117.00 118.02 1mwn n LEU 60 Ca 0.02 -0.02 -0.27 0.00 -0.01 0.00 0.00 56.01 55.72 1mwn n LEU 60 Cb 0.23 -0.72 -0.08 0.00 -0.11 0.00 0.00 43.42 42.74 1mwn n LEU 60 CO 0.39 0.77 2.65 -0.67 -1.51 0.00 0.00 177.39 179.01 1mwn n ASP 61 N -3.33 7.04 0.00 -1.43 -0.08 0.90 -4.51 116.55 115.14 1mwn n ASP 61 Ca -0.39 -2.49 0.02 0.00 -1.51 0.00 0.00 54.79 50.42 1mwn n ASP 61 Cb 0.88 -1.44 0.13 0.00 2.34 0.00 0.00 41.12 43.04 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 3.26 0.32 -0.00 -0.67 1.02 -1.18 -0.44 120.64 122.94 1mwn n GLU 62 Ca 0.62 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.66 1mwn n GLU 62 Cb 0.45 -1.22 -0.14 0.00 -0.02 0.00 0.00 31.44 30.51 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1mwn h ASP 63 N 0.00 0.06 0.00 1.62 3.32 -1.87 -3.47 116.42 116.07 1mwn h ASP 63 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1mwn h ASP 63 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1mwn h ASP 63 CO 0.00 1.10 0.00 0.61 -1.72 0.00 0.00 179.24 179.23 1mwn n GLY 64 N 1.57 0.52 0.26 2.75 0.00 0.42 -4.86 105.19 105.85 1mwn n GLY 64 Ca -0.16 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 0.23 0.79 -2.98 1.61 5.75 -1.26 -4.86 116.55 115.82 1mwn n ASP 65 Ca 0.00 -1.60 -0.21 0.00 -0.01 0.00 0.00 54.79 52.97 1mwn n ASP 65 Cb 0.00 -0.05 0.05 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 0.93 -0.44 3.14 6.12 0.00 -1.26 -4.98 105.19 108.70 1mwn n GLY 66 Ca 0.14 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -5.80 0.62 -0.08 1.61 2.02 -1.26 -3.43 118.70 112.38 1mwn s GLU 67 Ca 0.36 -0.62 -0.00 0.00 0.02 0.00 0.00 54.97 54.73 1mwn s GLU 67 Cb -0.16 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.35 1mwn s GLU 67 CO 0.45 -0.16 -0.04 0.00 0.02 0.00 0.00 175.26 175.52 1mwn s ASP 69 N 1.63 4.70 0.25 0.00 1.01 -1.26 0.53 116.67 123.53 1mwn s ASP 69 Ca 0.01 0.85 -0.03 0.00 0.71 0.00 0.00 52.55 54.09 1mwn s ASP 69 Cb -0.13 -1.41 0.43 0.00 1.01 0.00 0.00 42.92 42.82 1mwn s ASP 69 CO -0.05 -1.79 1.80 2.19 0.21 0.00 0.00 175.17 177.54 1mwn h PHE 70 N -0.97 0.86 -0.87 4.23 -5.15 -1.95 0.30 116.94 113.39 1mwn h PHE 70 Ca -0.46 0.03 -0.00 0.00 -0.20 0.00 0.00 57.97 57.34 1mwn h PHE 70 Cb 1.31 -0.26 -0.04 0.00 0.22 0.00 0.00 35.95 37.18 1mwn h PHE 70 CO 0.35 0.33 0.53 0.37 -2.00 0.00 0.00 178.31 177.89 1mwn h GLN 71 N 0.78 1.17 -0.77 6.09 4.15 -1.97 -2.18 115.11 122.38 1mwn h GLN 71 Ca 0.41 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.68 1mwn h GLN 71 Cb 0.41 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1mwn h GLN 71 CO -0.26 0.81 0.28 0.93 -1.93 0.00 0.00 178.83 178.66 1mwn h GLU 72 N 1.19 1.17 -0.99 1.69 5.08 -1.33 -2.35 114.58 119.04 1mwn h GLU 72 Ca 0.31 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1mwn h GLU 72 Cb -0.06 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 28.96 1mwn h GLU 72 CO -0.06 0.97 0.65 0.35 -1.00 0.00 0.00 179.01 179.93 1mwn h PHE 73 N 1.13 1.24 -0.71 4.33 3.57 -0.63 -1.38 116.94 124.49 1mwn h PHE 73 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1mwn h PHE 73 Cb 0.26 -0.42 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1mwn h PHE 73 CO 0.02 0.77 0.45 0.52 -2.23 0.00 0.00 178.31 177.85 1mwn h MET 74 N 1.32 0.94 -0.32 1.11 2.86 -0.89 -1.90 114.93 118.05 1mwn h MET 74 Ca 0.37 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.88 1mwn h MET 74 Cb -0.13 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.30 1mwn h MET 74 CO -0.09 0.64 -0.08 0.00 1.06 0.00 0.00 176.91 178.44 1mwn h ALA 75 N 1.54 1.28 -0.96 6.32 0.00 -0.94 -2.60 119.26 123.88 1mwn h ALA 75 Ca 0.26 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1mwn h ALA 75 Cb -0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1mwn h ALA 75 CO -0.05 0.48 0.63 0.35 0.00 0.00 0.00 179.25 180.65 1mwn h PHE 76 N 0.49 1.17 -0.61 0.00 3.57 -1.03 -0.70 116.94 119.82 1mwn h PHE 76 Ca 0.10 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1mwn h PHE 76 Cb 0.44 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1mwn h PHE 76 CO 0.02 0.66 0.38 0.28 -2.23 0.00 0.00 178.31 177.41 1mwn h VAL 77 N 1.20 1.17 -0.75 1.41 2.07 -1.45 -1.82 116.25 118.08 1mwn h VAL 77 Ca 0.39 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1mwn h VAL 77 Cb 0.03 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1mwn h VAL 77 CO -0.13 0.18 0.47 -1.28 0.02 0.00 0.00 177.57 176.83 1mwn h SER 78 N 0.82 0.88 -0.39 0.57 0.87 -1.08 1.65 113.55 116.87 1mwn h SER 78 Ca 0.22 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1mwn h SER 78 Cb -0.04 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 1mwn h SER 78 CO -0.04 0.66 0.20 -0.03 -0.53 0.00 0.00 176.83 177.09 1mwn h MET 79 N 1.02 0.55 0.00 2.24 -1.53 -0.64 0.14 114.93 116.72 1mwn h MET 79 Ca 0.27 -0.07 -0.21 0.00 -3.44 0.00 0.00 59.70 56.25 1mwn h MET 79 Cb -0.07 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 30.84 1mwn h MET 79 CO -0.05 0.47 -1.14 0.28 0.14 0.00 0.00 176.91 176.60 1mwn h VAL 80 N 0.50 1.25 -0.46 -5.77 2.07 -1.00 -2.90 116.25 109.94 1mwn h VAL 80 Ca 0.14 -2.92 -0.14 0.00 0.82 0.00 0.00 66.70 64.60 1mwn h VAL 80 Cb 0.08 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1mwn h VAL 80 CO -0.02 0.71 -0.24 0.74 0.02 0.00 0.00 177.57 178.78 1mwn h THR 81 N 0.00 1.27 -0.39 2.57 2.02 0.26 -2.29 112.91 116.35 1mwn h THR 81 Ca -0.09 -1.40 -0.16 0.00 0.77 0.00 0.00 66.41 65.53 1mwn h THR 81 Cb 1.75 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1mwn h THR 81 CO 0.10 0.48 -0.37 0.74 0.37 0.00 0.00 175.52 176.84 1mwn h THR 82 N 0.83 1.27 -0.80 3.16 2.02 -0.78 -2.81 112.91 115.81 1mwn h THR 82 Ca 0.10 -1.55 -0.04 0.00 0.77 0.00 0.00 66.41 65.69 1mwn h THR 82 Cb 0.82 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1mwn h THR 82 CO 0.07 0.52 0.33 0.00 0.37 0.00 0.00 175.52 176.81 1mwn h ALA 83 N 0.80 1.03 -0.73 6.16 0.00 -1.38 -2.61 119.26 122.53 1mwn h ALA 83 Ca 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1mwn h ALA 83 Cb 0.96 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1mwn h ALA 83 CO 0.09 0.65 0.28 0.00 0.00 0.00 0.00 179.25 180.28 1mwn h HIS 85 N 1.05 1.26 0.00 0.00 6.17 -1.21 -0.68 115.15 121.73 1mwn h HIS 85 Ca 0.24 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.34 1mwn h HIS 85 Cb 0.22 -0.43 -0.00 0.00 2.52 0.00 0.00 27.41 29.72 1mwn h HIS 85 CO 0.02 0.79 -0.06 0.93 0.71 0.00 0.00 177.93 180.32 1mwn h GLU 86 N 1.36 0.00 -0.95 5.26 5.08 -1.08 -2.95 114.58 121.29 1mwn h GLU 86 Ca 0.37 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1mwn h GLU 86 Cb -0.16 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 1mwn h GLU 86 CO -0.08 0.06 0.62 0.35 -1.00 0.00 0.00 179.01 178.97 1mwn h PHE 87 N 0.00 1.20 -3.69 4.33 3.04 -0.67 -3.38 116.94 117.77 1mwn h PHE 87 Ca -0.00 0.02 -0.57 0.00 3.98 0.00 0.00 57.97 61.41 1mwn h PHE 87 Cb 0.40 -0.40 -0.08 0.00 2.56 0.00 0.00 35.95 38.43 1mwn h PHE 87 CO 0.00 0.76 0.87 -0.06 -2.02 0.00 0.00 178.31 177.86 1mwn s PHE 88 N -6.11 2.84 0.00 0.41 0.08 -1.12 -4.94 117.98 109.15 1mwn s PHE 88 Ca -0.13 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.60 1mwn s PHE 88 Cb 0.17 -4.34 0.00 0.00 -0.57 0.00 0.00 43.02 38.28 1mwn s PHE 88 CO 0.81 -1.23 0.00 -1.91 -0.10 0.00 0.00 175.22 172.79 1mwn n GLU 89 N 7.71 0.00 -0.32 0.44 4.07 -1.26 -4.85 120.64 126.43 1mwn n GLU 89 Ca 0.11 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.16 1mwn n GLU 89 Cb 0.49 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.95 1mwn n GLU 89 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1mwn h HIS 90 N 0.00 1.23 -0.02 4.31 3.86 -1.97 -3.54 115.15 119.02 1mwn h HIS 90 Ca 0.00 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1mwn h HIS 90 Cb 0.00 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.09 1mwn h HIS 90 CO 0.00 0.89 0.00 -0.85 0.86 0.00 0.00 177.93 178.83