#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 0.82 -0.48 4.33 5.08 -2.05 -0.86 114.58 121.43 1mwn h GLU 2 Ca 0.00 -0.08 0.14 0.00 -1.00 0.00 0.00 59.36 58.42 1mwn h GLU 2 Cb 0.00 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1mwn h GLU 2 CO 0.00 0.60 0.74 1.25 -1.00 0.00 0.00 179.01 180.60 1mwn h LEU 3 N 0.84 0.00 0.57 1.33 5.85 -2.04 0.19 115.31 122.05 1mwn h LEU 3 Ca 0.22 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1mwn h LEU 3 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 1mwn h LEU 3 CO -0.04 0.00 -0.27 -0.08 -0.34 0.00 0.00 178.44 177.71 1mwn h GLU 4 N 0.00 -0.74 -0.13 1.25 4.81 -1.59 0.23 114.58 118.42 1mwn h GLU 4 Ca 0.23 0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.38 1mwn h GLU 4 Cb 1.70 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.24 1mwn h GLU 4 CO -0.00 -0.46 -0.48 1.57 -0.73 0.00 0.00 179.01 178.91 1mwn h LYS 5 N -1.16 0.32 -0.57 1.92 5.09 -1.17 -2.97 116.57 118.03 1mwn h LYS 5 Ca -0.08 -0.18 -0.08 0.00 0.09 0.00 0.00 60.65 60.40 1mwn h LYS 5 Cb 0.62 0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.94 1mwn h LYS 5 CO 0.13 0.73 0.03 0.00 -2.09 0.00 0.00 179.45 178.25 1mwn h ALA 6 N 1.24 0.77 -0.95 0.07 0.00 -0.75 -2.32 119.26 117.32 1mwn h ALA 6 Ca 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1mwn h ALA 6 Cb 0.94 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1mwn h ALA 6 CO 0.08 0.57 0.59 1.98 0.00 0.00 0.00 179.25 182.47 1mwn h MET 7 N 0.88 1.27 -0.96 0.00 1.85 -0.82 -0.74 114.93 116.41 1mwn h MET 7 Ca 0.17 -0.10 0.01 0.00 -0.61 0.00 0.00 59.70 59.16 1mwn h MET 7 Cb 0.51 -0.27 -0.05 0.00 0.43 0.00 0.00 31.60 32.22 1mwn h MET 7 CO 0.02 0.87 0.64 0.28 -0.40 0.00 0.00 176.91 178.32 1mwn h VAL 8 N 1.30 1.25 -0.28 -5.77 2.07 -1.33 -0.50 116.25 112.99 1mwn h VAL 8 Ca 0.34 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1mwn h VAL 8 Cb -0.09 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.50 1mwn h VAL 8 CO -0.07 0.24 0.13 0.00 0.02 0.00 0.00 177.57 177.89 1mwn h ALA 9 N 1.35 0.36 -0.83 1.67 0.00 -0.68 -1.22 119.26 119.90 1mwn h ALA 9 Ca 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1mwn h ALA 9 Cb -0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1mwn h ALA 9 CO -0.08 -0.08 0.50 -0.07 0.00 0.00 0.00 179.25 179.53 1mwn h LEU 10 N 0.31 1.00 -0.81 0.00 4.07 -0.46 0.28 115.31 119.70 1mwn h LEU 10 Ca 0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1mwn h LEU 10 Cb 0.12 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.57 1mwn h LEU 10 CO -0.01 0.77 0.38 0.40 -1.08 0.00 0.00 178.44 178.90 1mwn h ILE 11 N 1.14 1.26 -0.37 1.22 2.04 -0.78 -1.03 117.51 120.99 1mwn h ILE 11 Ca 0.30 -0.74 -0.16 0.00 1.00 0.00 0.00 64.86 65.25 1mwn h ILE 11 Cb -0.04 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1mwn h ILE 11 CO -0.06 0.31 -0.41 0.44 0.00 0.00 0.00 178.15 178.44 1mwn h ASP 12 N 1.16 1.00 -0.65 1.72 3.32 -0.53 -2.76 116.42 119.68 1mwn h ASP 12 Ca 0.28 -0.47 0.04 0.00 0.02 0.00 0.00 57.03 56.90 1mwn h ASP 12 Cb 0.14 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 1mwn h ASP 12 CO -0.03 1.27 0.43 0.58 -1.72 0.00 0.00 179.24 179.77 1mwn h VAL 13 N 0.76 1.07 -0.19 -1.35 2.07 0.03 0.22 116.25 118.86 1mwn h VAL 13 Ca 0.06 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1mwn h VAL 13 Cb 1.01 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1mwn h VAL 13 CO 0.10 0.14 0.01 0.15 0.02 0.00 0.00 177.57 177.98 1mwn h PHE 14 N 0.74 0.00 0.00 1.57 3.57 -0.90 -2.50 116.94 119.43 1mwn h PHE 14 Ca 0.26 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 1mwn h PHE 14 Cb 0.11 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1mwn h PHE 14 CO -0.00 -0.02 -0.33 0.45 -2.23 0.00 0.00 178.31 176.18 1mwn h HIS 15 N 0.07 0.00 -0.76 0.41 3.86 -1.35 -2.69 115.15 114.69 1mwn h HIS 15 Ca 0.09 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1mwn h HIS 15 Cb 0.11 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.54 1mwn h HIS 15 CO -0.17 0.26 0.50 0.37 0.86 0.00 0.00 177.93 179.75 1mwn h GLN 16 N 0.00 0.98 0.00 2.45 5.75 -0.11 -3.15 115.11 121.02 1mwn h GLN 16 Ca -0.01 -0.06 -0.18 0.00 -0.15 0.00 0.00 58.65 58.25 1mwn h GLN 16 Cb 1.20 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.50 1mwn h GLN 16 CO 0.03 0.65 -1.68 2.48 -2.65 0.00 0.00 178.83 177.66 1mwn n TYR 17 N -4.57 0.00 -0.27 3.99 0.18 -1.19 -4.39 117.16 110.91 1mwn n TYR 17 Ca 0.08 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.80 1mwn n TYR 17 Cb 0.04 -0.49 0.06 0.00 -0.38 0.00 0.00 39.34 38.57 1mwn n TYR 17 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1mwn h SER 18 N 0.00 0.95 -0.36 9.48 4.64 -1.60 -1.95 113.55 124.72 1mwn h SER 18 Ca -0.27 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1mwn h SER 18 Cb 1.59 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1mwn h SER 18 CO 0.01 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 1mwn n GLY 19 N -1.02 1.33 0.22 -0.77 0.00 -1.19 -4.19 105.19 99.57 1mwn n GLY 19 Ca 0.06 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 2.20 0.72 -2.43 1.61 2.43 -1.55 -3.47 114.38 113.88 1mwn h ARG 20 Ca 0.00 -0.33 0.01 0.00 -0.81 0.00 0.00 59.98 58.85 1mwn h ARG 20 Cb 0.79 -0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.17 1mwn h ARG 20 CO 0.09 0.94 0.30 -2.00 -1.51 0.00 0.00 179.97 177.79 1mwn s GLU 21 N -4.53 1.05 2.85 0.20 2.56 -1.26 -5.13 118.70 114.44 1mwn s GLU 21 Ca -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.97 54.67 1mwn s GLU 21 Cb 0.09 0.49 0.00 0.00 2.00 0.00 0.00 34.13 36.71 1mwn s GLU 21 CO 0.82 -0.42 0.00 0.41 -0.56 0.00 0.00 175.26 175.52 1mwn n GLY 22 N 0.11 -0.56 3.63 -1.50 0.00 -1.26 -4.70 105.19 100.91 1mwn n GLY 22 Ca -0.15 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 1mwn n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mwn s ASP 23 N -4.00 6.84 0.45 1.61 -1.08 -1.26 -4.89 116.67 114.33 1mwn s ASP 23 Ca 0.00 0.90 0.21 0.00 -0.52 0.00 0.00 52.55 53.14 1mwn s ASP 23 Cb 0.00 -2.51 1.06 0.00 -1.46 0.00 0.00 42.92 40.02 1mwn s ASP 23 CO 0.00 -0.84 1.92 0.50 0.52 0.00 0.00 175.17 177.27 1mwn h LYS 24 N 8.19 0.00 -0.19 4.34 3.64 -1.84 -3.02 116.57 127.68 1mwn h LYS 24 Ca -0.22 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.02 1mwn h LYS 24 Cb 1.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1mwn h LYS 24 CO 1.00 0.24 -0.49 0.45 -2.27 0.00 0.00 179.45 178.37 1mwn h HIS 25 N 0.00 0.64 -3.51 1.91 3.86 -1.90 -3.43 115.15 112.72 1mwn h HIS 25 Ca -0.00 -0.21 -0.41 0.00 -1.16 0.00 0.00 60.37 58.59 1mwn h HIS 25 Cb 0.55 -0.13 -0.18 0.00 1.06 0.00 0.00 27.41 28.72 1mwn h HIS 25 CO 0.00 0.91 -0.75 -1.59 0.86 0.00 0.00 177.93 177.36 1mwn s LYS 26 N -4.07 1.04 -0.18 2.45 -2.85 -1.14 -4.71 119.74 110.28 1mwn s LYS 26 Ca -0.07 -1.29 -0.07 0.00 -1.00 0.00 0.00 55.97 53.55 1mwn s LYS 26 Cb 0.12 -0.88 -0.04 0.00 -2.06 0.00 0.00 37.83 34.97 1mwn s LYS 26 CO 0.83 0.16 0.04 -0.51 0.10 0.00 0.00 175.35 175.97 1mwn s LEU 27 N -2.60 3.67 0.04 2.77 1.43 -0.14 -4.52 118.68 119.34 1mwn s LEU 27 Ca 0.11 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1mwn s LEU 27 Cb -0.04 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1mwn s LEU 27 CO 0.03 0.15 0.19 -0.75 0.23 0.00 0.00 176.35 176.20 1mwn s LYS 28 N 0.50 3.39 0.36 1.70 2.20 -1.26 0.12 119.74 126.76 1mwn s LYS 28 Ca 0.02 -0.43 0.18 0.00 -0.36 0.00 0.00 55.97 55.39 1mwn s LYS 28 Cb -0.13 -3.03 1.26 0.00 -1.51 0.00 0.00 37.83 34.42 1mwn s LYS 28 CO 0.01 0.63 1.59 1.57 -0.36 0.00 0.00 175.35 178.79 1mwn h LYS 29 N 3.31 0.04 -0.56 4.03 2.10 -1.93 0.56 116.57 124.12 1mwn h LYS 29 Ca -0.46 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.18 1mwn h LYS 29 Cb 1.17 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.46 1mwn h LYS 29 CO 0.73 0.03 0.31 0.77 -2.00 0.00 0.00 179.45 179.29 1mwn h SER 30 N 0.04 0.70 -0.37 7.07 0.02 -1.93 0.78 113.55 119.85 1mwn h SER 30 Ca 0.81 -0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 61.51 1mwn h SER 30 Cb 2.08 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 64.44 1mwn h SER 30 CO -0.76 0.58 -0.41 -0.33 -1.14 0.00 0.00 176.83 174.77 1mwn h GLU 31 N 0.75 0.94 -0.63 3.45 5.08 -0.34 -2.97 114.58 120.86 1mwn h GLU 31 Ca 0.20 -0.51 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1mwn h GLU 31 Cb 0.04 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1mwn h GLU 31 CO -0.03 1.16 0.20 1.25 -1.00 0.00 0.00 179.01 180.59 1mwn h LEU 32 N 0.76 0.88 -1.01 1.33 5.85 -0.83 -1.65 115.31 120.63 1mwn h LEU 32 Ca 0.05 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.72 1mwn h LEU 32 Cb 1.01 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 1mwn h LEU 32 CO 0.10 0.82 0.64 0.50 -0.34 0.00 0.00 178.44 180.16 1mwn h LYS 33 N 0.92 1.05 -0.58 1.25 3.64 -0.69 0.17 116.57 122.33 1mwn h LYS 33 Ca 0.21 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1mwn h LYS 33 Cb 0.26 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1mwn h LYS 33 CO -0.01 0.69 -0.03 1.49 -2.27 0.00 0.00 179.45 179.32 1mwn h GLU 34 N 1.08 1.05 -0.05 1.90 4.81 -1.26 0.22 114.58 122.33 1mwn h GLU 34 Ca 0.47 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1mwn h GLU 34 Cb 0.35 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1mwn h GLU 34 CO -0.23 1.05 0.03 1.25 -0.73 0.00 0.00 179.01 180.38 1mwn h LEU 35 N 0.94 0.05 -0.41 1.64 7.12 -0.01 1.54 115.31 126.19 1mwn h LEU 35 Ca 0.16 -0.00 -0.06 0.00 0.13 0.00 0.00 57.88 58.10 1mwn h LEU 35 Cb 0.60 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.70 1mwn h LEU 35 CO 0.04 0.04 0.01 0.40 -0.13 0.00 0.00 178.44 178.79 1mwn h ILE 36 N 0.06 1.26 0.00 4.05 2.04 -0.67 -1.28 117.51 122.96 1mwn h ILE 36 Ca 0.02 -1.00 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 1mwn h ILE 36 Cb -0.00 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1mwn h ILE 36 CO -0.00 0.34 -0.36 -1.13 0.00 0.00 0.00 178.15 177.00 1mwn h ASN 37 N 0.55 0.00 0.70 1.72 -1.24 -0.74 -1.53 115.58 115.03 1mwn h ASN 37 Ca 0.12 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.92 1mwn h ASN 37 Cb 0.47 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.48 1mwn h ASN 37 CO 0.02 0.31 -1.43 -1.13 -1.29 0.00 0.00 177.43 173.91 1mwn h ASN 38 N 0.00 0.00 0.00 1.15 -1.24 0.23 -2.84 115.58 112.88 1mwn h ASN 38 Ca -0.01 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.84 1mwn h ASN 38 Cb 1.24 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.26 1mwn h ASN 38 CO 0.04 0.73 -2.09 -0.62 -1.29 0.00 0.00 177.43 174.20 1mwn n GLU 39 N -2.98 0.79 -2.40 6.67 4.71 -0.49 -4.47 120.64 122.47 1mwn n GLU 39 Ca -0.11 -0.10 -0.22 0.00 -0.01 0.00 0.00 57.16 56.72 1mwn n GLU 39 Cb 0.91 -1.47 0.01 0.00 -1.01 0.00 0.00 31.44 29.88 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 -2.43 4.18 0.00 -4.62 4.77 -0.57 -4.93 117.00 113.40 1mwn n LEU 40 Ca -0.17 -4.77 0.00 0.00 -0.03 0.00 0.00 56.01 51.04 1mwn n LEU 40 Cb 0.81 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1mwn n LEU 40 CO 0.41 2.05 0.23 -0.24 -1.33 0.00 0.00 177.39 178.51 1mwn n SER 41 N -0.50 0.00 -0.06 -1.43 2.88 -1.07 -3.95 113.62 109.49 1mwn n SER 41 Ca 0.35 0.46 0.04 0.00 -1.33 0.00 0.00 58.87 58.39 1mwn n SER 41 Cb 0.77 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.29 1mwn n SER 41 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1mwn n HIS 42 N -0.84 0.00 -0.15 0.66 8.25 -1.26 -3.83 115.22 118.05 1mwn n HIS 42 Ca 0.00 -0.63 -0.12 0.00 -0.26 0.00 0.00 57.72 56.71 1mwn n HIS 42 Cb 0.00 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 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 1.15 0.00 4.41 0.04 -1.92 -3.44 116.94 117.18 1mwn h PHE 43 Ca 0.00 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.47 1mwn h PHE 43 Cb 0.79 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1mwn h PHE 43 CO 0.01 1.13 0.00 1.47 -0.60 0.00 0.00 178.31 180.32 1mwn n LEU 44 N -4.09 0.00 -4.12 1.54 -0.00 -1.26 -5.09 117.00 103.98 1mwn n LEU 44 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.68 1mwn n LEU 44 Cb 0.49 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.75 1mwn n LEU 44 CO 0.47 0.00 -0.50 -1.61 -0.00 0.00 0.00 177.39 175.75 1mwn s GLU 45 N -1.00 2.82 -0.23 1.47 2.02 -1.25 -5.10 118.70 117.44 1mwn s GLU 45 Ca 0.00 -0.95 -0.06 0.00 0.02 0.00 0.00 54.97 53.98 1mwn s GLU 45 Cb 0.00 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 1mwn s GLU 45 CO 0.00 -0.30 0.03 -2.00 0.02 0.00 0.00 175.26 173.01 1mwn s GLU 46 N 1.25 3.61 -0.24 1.61 2.12 -1.25 -4.32 118.70 121.48 1mwn s GLU 46 Ca 0.02 -0.51 -0.08 0.00 0.36 0.00 0.00 54.97 54.75 1mwn s GLU 46 Cb -0.15 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1mwn s GLU 46 CO -0.10 -0.11 0.10 0.42 -0.54 0.00 0.00 175.26 175.03 1mwn s ILE 47 N 1.35 4.72 0.00 -3.70 -1.09 -1.26 -4.87 121.20 116.35 1mwn s ILE 47 Ca 0.05 -0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.43 1mwn s ILE 47 Cb -0.15 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1mwn s ILE 47 CO 0.02 0.35 0.00 2.29 -1.23 0.00 0.00 174.94 176.36 1mwn n LYS 48 N 4.60 2.43 -4.37 2.79 -0.00 -1.26 -4.98 118.16 117.37 1mwn n LYS 48 Ca -0.16 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 57.94 1mwn n LYS 48 Cb 0.52 -0.25 -0.11 0.00 -0.00 0.00 0.00 35.03 35.19 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 -0.22 1.38 0.43 -1.58 0.41 -1.26 -5.02 118.70 112.84 1mwn s GLU 49 Ca 0.00 -1.55 0.23 0.00 -0.41 0.00 0.00 54.97 53.24 1mwn s GLU 49 Cb 0.00 -1.35 0.44 0.00 -1.78 0.00 0.00 34.13 31.44 1mwn s GLU 49 CO 0.00 0.25 1.64 -0.56 -0.49 0.00 0.00 175.26 176.10 1mwn h GLN 50 N 2.81 0.00 -0.89 1.61 3.07 -1.99 -3.26 115.11 116.46 1mwn h GLN 50 Ca -0.40 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.34 1mwn h GLN 50 Cb 1.22 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.74 1mwn h GLN 50 CO 0.57 0.09 0.59 1.05 0.09 0.00 0.00 178.83 181.21 1mwn h GLU 51 N 0.00 1.18 -0.27 0.06 4.11 -1.97 1.95 114.58 119.64 1mwn h GLU 51 Ca -0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1mwn h GLU 51 Cb 0.99 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1mwn h GLU 51 CO 0.01 0.79 0.07 0.28 0.07 0.00 0.00 179.01 180.23 1mwn h VAL 52 N 1.21 1.21 -0.49 -1.06 2.07 -1.99 0.22 116.25 117.42 1mwn h VAL 52 Ca 0.33 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1mwn h VAL 52 Cb -0.13 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1mwn h VAL 52 CO -0.07 0.22 0.29 0.58 0.02 0.00 0.00 177.57 178.61 1mwn h VAL 53 N 0.27 1.16 -0.55 2.57 2.07 -1.42 0.60 116.25 120.95 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 0.27 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1mwn h VAL 53 CO -0.00 0.16 0.17 0.44 0.02 0.00 0.00 177.57 178.36 1mwn h ASP 54 N 0.66 0.81 -0.16 0.57 3.32 0.35 0.29 116.42 122.26 1mwn h ASP 54 Ca 0.18 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 1mwn h ASP 54 Cb 0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1mwn h ASP 54 CO -0.03 0.80 -0.43 0.11 -1.72 0.00 0.00 179.24 177.97 1mwn h LYS 55 N 0.77 0.71 -0.28 3.56 1.57 -0.21 -2.23 116.57 120.45 1mwn h LYS 55 Ca 0.18 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 58.46 1mwn h LYS 55 Cb 0.29 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1mwn h LYS 55 CO -0.00 1.00 -0.29 0.28 -0.57 0.00 0.00 179.45 179.87 1mwn h VAL 56 N 0.57 1.28 -0.36 0.50 2.07 0.59 -2.85 116.25 118.05 1mwn h VAL 56 Ca 0.04 -1.37 -0.17 0.00 0.82 0.00 0.00 66.70 66.02 1mwn h VAL 56 Cb 0.98 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1mwn h VAL 56 CO 0.09 0.44 -0.43 0.24 0.02 0.00 0.00 177.57 177.93 1mwn h MET 57 N 0.49 0.93 -0.01 1.57 2.86 -0.26 -2.17 114.93 118.34 1mwn h MET 57 Ca 0.06 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1mwn h MET 57 Cb 0.75 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 1mwn h MET 57 CO 0.06 1.17 0.01 0.93 1.06 0.00 0.00 176.91 180.14 1mwn h GLU 58 N 0.74 0.00 -0.11 1.72 5.08 -1.26 3.09 114.58 123.84 1mwn h GLU 58 Ca 0.05 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 1mwn h GLU 58 Cb 1.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1mwn h GLU 58 CO 0.10 0.00 -0.66 1.15 -1.00 0.00 0.00 179.01 178.60 1mwn h THR 59 N 0.00 1.36 0.00 1.13 2.02 -1.17 -3.33 112.91 112.92 1mwn h THR 59 Ca 0.00 -2.01 -0.05 0.00 0.77 0.00 0.00 66.41 65.13 1mwn h THR 59 Cb 0.02 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1mwn h THR 59 CO -0.00 0.61 -1.01 0.18 0.37 0.00 0.00 175.52 175.67 1mwn n LEU 60 N -3.88 1.77 -2.87 2.58 4.77 0.02 -4.56 117.00 114.83 1mwn n LEU 60 Ca -0.04 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1mwn n LEU 60 Cb 0.67 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1mwn n LEU 60 CO 0.47 -0.25 1.80 -0.67 -1.33 0.00 0.00 177.39 177.41 1mwn n ASP 61 N -4.25 3.64 0.00 -1.43 -0.08 1.01 -4.46 116.55 110.98 1mwn n ASP 61 Ca -0.16 -2.17 0.02 0.00 -1.51 0.00 0.00 54.79 50.97 1mwn n ASP 61 Cb 0.48 -0.90 0.12 0.00 2.34 0.00 0.00 41.12 43.16 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 3.83 0.33 -0.04 -0.67 1.02 -1.25 -0.56 120.64 123.30 1mwn n GLU 62 Ca 0.32 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.39 1mwn n GLU 62 Cb 0.21 -1.19 -0.14 0.00 -0.02 0.00 0.00 31.44 30.30 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1mwn n ASP 63 N -0.69 0.57 0.00 1.62 8.00 -1.26 -4.95 116.55 119.84 1mwn n ASP 63 Ca 0.03 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1mwn n ASP 63 Cb 0.01 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1mwn n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mwn n GLY 64 N 1.58 0.53 0.00 0.44 0.00 0.28 -4.86 105.19 103.15 1mwn n GLY 64 Ca -0.20 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.04 0.00 -1.39 1.61 5.75 -1.26 -4.83 116.55 116.47 1mwn n ASP 65 Ca 0.00 -1.13 -0.11 0.00 -0.01 0.00 0.00 54.79 53.53 1mwn n ASP 65 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.87 -0.06 3.11 6.12 0.00 -1.26 -5.00 105.19 108.97 1mwn n GLY 66 Ca 0.20 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.71 0.60 -0.06 1.61 2.02 -1.26 -3.64 118.70 113.26 1mwn s GLU 67 Ca 0.04 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.22 1mwn s GLU 67 Cb -0.02 0.23 0.02 0.00 0.10 0.00 0.00 34.13 34.46 1mwn s GLU 67 CO 0.05 -0.15 -0.06 0.00 0.02 0.00 0.00 175.26 175.13 1mwn s ASP 69 N 1.15 4.78 0.24 0.00 1.01 -1.26 -0.97 116.67 121.62 1mwn s ASP 69 Ca -0.07 0.48 -0.05 0.00 0.71 0.00 0.00 52.55 53.61 1mwn s ASP 69 Cb -0.14 -1.11 0.37 0.00 1.01 0.00 0.00 42.92 43.05 1mwn s ASP 69 CO -0.01 -1.63 1.79 2.19 0.21 0.00 0.00 175.17 177.72 1mwn h PHE 70 N -0.64 0.74 -0.74 4.23 -5.15 -1.99 0.22 116.94 113.62 1mwn h PHE 70 Ca -0.44 0.03 -0.05 0.00 -0.20 0.00 0.00 57.97 57.31 1mwn h PHE 70 Cb 1.32 -0.22 -0.03 0.00 0.22 0.00 0.00 35.95 37.24 1mwn h PHE 70 CO 0.33 0.28 0.28 0.37 -2.00 0.00 0.00 178.31 177.57 1mwn h GLN 71 N 0.69 1.11 -0.41 6.09 4.15 -1.99 -0.36 115.11 124.38 1mwn h GLN 71 Ca 0.38 -0.21 -0.15 0.00 0.77 0.00 0.00 58.65 59.44 1mwn h GLN 71 Cb 0.38 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1mwn h GLN 71 CO -0.26 0.92 -0.34 0.93 -1.93 0.00 0.00 178.83 178.14 1mwn h GLU 72 N 1.06 0.96 -0.39 1.69 5.08 -1.43 -2.86 114.58 118.70 1mwn h GLU 72 Ca 0.24 -0.48 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 1mwn h GLU 72 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1mwn h GLU 72 CO -0.02 1.14 -0.23 0.35 -1.00 0.00 0.00 179.01 179.25 1mwn h PHE 73 N 0.80 0.88 -0.45 4.33 3.57 -0.44 -2.70 116.94 122.92 1mwn h PHE 73 Ca 0.08 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 1mwn h PHE 73 Cb 0.93 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1mwn h PHE 73 CO 0.06 0.93 0.27 1.98 -2.23 0.00 0.00 178.31 179.32 1mwn h MET 74 N 0.67 0.60 0.00 1.11 4.05 -0.94 -1.25 114.93 119.18 1mwn h MET 74 Ca 0.09 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 1mwn h MET 74 Cb 0.74 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1mwn h MET 74 CO 0.06 0.43 -0.39 0.00 0.23 0.00 0.00 176.91 177.24 1mwn h ALA 75 N 1.68 1.33 -0.93 0.39 0.00 -1.25 -2.73 119.26 117.75 1mwn h ALA 75 Ca 0.16 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1mwn h ALA 75 Cb -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1mwn h ALA 75 CO -0.03 0.49 0.61 0.35 0.00 0.00 0.00 179.25 180.67 1mwn h PHE 76 N 0.00 1.16 -0.70 0.00 3.57 -1.16 -1.33 116.94 118.48 1mwn h PHE 76 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1mwn h PHE 76 Cb 0.70 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1mwn h PHE 76 CO 0.00 0.72 0.46 0.28 -2.23 0.00 0.00 178.31 177.54 1mwn h VAL 77 N 1.24 1.18 -0.59 1.41 2.07 -1.49 -1.65 116.25 118.43 1mwn h VAL 77 Ca 0.35 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1mwn h VAL 77 Cb -0.12 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 1mwn h VAL 77 CO -0.08 0.17 0.39 -1.28 0.02 0.00 0.00 177.57 176.79 1mwn h SER 78 N 0.95 0.68 -0.44 0.57 0.87 -1.25 0.85 113.55 115.79 1mwn h SER 78 Ca 0.26 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1mwn h SER 78 Cb -0.11 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1mwn h SER 78 CO -0.06 0.50 0.25 -0.03 -0.53 0.00 0.00 176.83 176.96 1mwn h MET 79 N 0.80 0.60 -0.33 2.24 -1.53 -0.75 0.31 114.93 116.27 1mwn h MET 79 Ca 0.22 -0.06 -0.14 0.00 -3.44 0.00 0.00 59.70 56.27 1mwn h MET 79 Cb -0.08 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 30.84 1mwn h MET 79 CO -0.05 0.47 -0.37 0.28 0.14 0.00 0.00 176.91 177.38 1mwn h VAL 80 N 0.57 1.28 -0.92 -5.77 2.07 -0.87 -1.15 116.25 111.47 1mwn h VAL 80 Ca 0.15 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1mwn h VAL 80 Cb 0.03 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1mwn h VAL 80 CO -0.03 0.50 0.53 0.74 0.02 0.00 0.00 177.57 179.34 1mwn h THR 81 N 0.64 1.26 -0.48 2.57 2.02 0.13 0.41 112.91 119.46 1mwn h THR 81 Ca 0.06 -0.60 -0.11 0.00 0.77 0.00 0.00 66.41 66.53 1mwn h THR 81 Cb 0.92 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1mwn h THR 81 CO 0.08 0.28 -0.13 0.74 0.37 0.00 0.00 175.52 176.86 1mwn h THR 82 N 1.27 1.27 -0.29 3.16 2.02 -0.08 -1.58 112.91 118.69 1mwn h THR 82 Ca 0.33 -1.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.11 1mwn h THR 82 Cb -0.02 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1mwn h THR 82 CO -0.06 0.44 -0.32 0.00 0.37 0.00 0.00 175.52 175.95 1mwn h ALA 83 N 0.88 0.43 -0.92 6.16 0.00 -0.61 -2.85 119.26 122.35 1mwn h ALA 83 Ca 0.12 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1mwn h ALA 83 Cb 0.69 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1mwn h ALA 83 CO 0.05 0.47 0.54 0.00 0.00 0.00 0.00 179.25 180.31 1mwn h HIS 85 N 1.27 1.01 -0.32 0.00 6.17 -1.18 -0.82 115.15 121.28 1mwn h HIS 85 Ca 0.33 0.02 0.07 0.00 0.71 0.00 0.00 60.37 61.49 1mwn h HIS 85 Cb -0.03 -0.34 -0.02 0.00 2.52 0.00 0.00 27.41 29.54 1mwn h HIS 85 CO 0.01 0.65 0.22 1.49 0.71 0.00 0.00 177.93 181.01 1mwn h GLU 86 N 1.08 0.12 -0.88 5.26 4.57 -1.11 -0.02 114.58 123.60 1mwn h GLU 86 Ca 0.29 -0.01 0.23 0.00 -1.18 0.00 0.00 59.36 58.69 1mwn h GLU 86 Cb -0.10 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 1mwn h GLU 86 CO -0.06 0.08 0.61 0.35 -1.18 0.00 0.00 179.01 178.81 1mwn h PHE 87 N 0.12 0.30 -3.45 0.92 3.04 -1.06 -3.35 116.94 113.45 1mwn h PHE 87 Ca 0.15 0.01 -0.61 0.00 3.98 0.00 0.00 57.97 61.50 1mwn h PHE 87 Cb 0.43 -0.09 -0.10 0.00 2.56 0.00 0.00 35.95 38.75 1mwn h PHE 87 CO -0.00 0.07 0.39 -0.06 -2.02 0.00 0.00 178.31 176.69 1mwn s PHE 88 N -5.23 3.19 0.00 0.41 0.08 -0.02 -5.03 117.98 111.38 1mwn s PHE 88 Ca -0.07 0.77 0.00 0.00 0.12 0.00 0.00 56.93 57.75 1mwn s PHE 88 Cb 0.22 -3.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 1mwn s PHE 88 CO 0.78 -0.59 0.00 0.39 -0.10 0.00 0.00 175.22 175.69 1mwn n GLU 89 N 6.24 2.51 -0.37 0.44 1.02 -1.26 -4.98 120.64 124.25 1mwn n GLU 89 Ca 0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.15 1mwn n GLU 89 Cb 0.48 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.01 1mwn n GLU 89 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1mwn h HIS 90 N -0.01 1.24 0.00 -0.32 3.86 -1.96 -3.53 115.15 114.43 1mwn h HIS 90 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1mwn h HIS 90 Cb 0.00 -0.42 0.00 0.00 1.06 0.00 0.00 27.41 28.05 1mwn h HIS 90 CO 0.00 0.78 0.00 -0.85 0.86 0.00 0.00 177.93 178.72