#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 0.53 0.00 -1.46 4.81 -2.06 -2.83 114.58 113.57 1mwn h GLU 2 Ca 0.00 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 58.88 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 0.88 -0.29 1.25 -0.73 0.00 0.00 179.01 180.12 1mwn h LEU 3 N 0.43 0.00 -0.09 1.64 6.46 -2.06 -3.04 115.31 118.66 1mwn h LEU 3 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1mwn h LEU 3 Cb 0.95 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1mwn h LEU 3 CO 0.08 0.29 0.06 -0.33 -0.62 0.00 0.00 178.44 177.92 1mwn h GLU 4 N 0.00 0.12 -0.29 1.25 5.08 -1.95 -0.84 114.58 117.95 1mwn h GLU 4 Ca -0.00 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1mwn h GLU 4 Cb 0.66 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1mwn h GLU 4 CO 0.04 0.08 -0.43 1.57 -1.00 0.00 0.00 179.01 179.27 1mwn h LYS 5 N 0.12 0.71 -0.87 2.33 2.10 -1.66 -3.08 116.57 116.23 1mwn h LYS 5 Ca 0.03 -0.39 0.01 0.00 -2.00 0.00 0.00 60.65 58.31 1mwn h LYS 5 Cb -0.01 0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 1mwn h LYS 5 CO -0.01 1.00 0.58 0.00 -2.00 0.00 0.00 179.45 179.02 1mwn h ALA 6 N 0.94 1.10 -1.01 0.07 0.00 -1.37 -1.64 119.26 117.36 1mwn h ALA 6 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mwn h ALA 6 Cb 0.98 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1mwn h ALA 6 CO 0.09 0.51 0.67 0.52 0.00 0.00 0.00 179.25 181.04 1mwn h MET 7 N 1.18 1.33 -0.98 0.00 2.86 -1.07 -0.40 114.93 117.85 1mwn h MET 7 Ca 0.32 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1mwn h MET 7 Cb -0.13 -0.30 -0.05 0.00 0.06 0.00 0.00 31.60 31.18 1mwn h MET 7 CO -0.07 0.88 0.65 0.28 1.06 0.00 0.00 176.91 179.71 1mwn h VAL 8 N 1.37 1.25 -0.34 -2.22 2.07 -1.28 -0.86 116.25 116.23 1mwn h VAL 8 Ca 0.37 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1mwn h VAL 8 Cb -0.15 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.41 1mwn h VAL 8 CO -0.08 0.24 0.08 0.00 0.02 0.00 0.00 177.57 177.83 1mwn h ALA 9 N 1.36 0.45 -0.82 1.67 0.00 -0.46 -1.35 119.26 120.11 1mwn h ALA 9 Ca 0.36 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1mwn h ALA 9 Cb -0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1mwn h ALA 9 CO -0.08 0.13 0.35 -0.07 0.00 0.00 0.00 179.25 179.58 1mwn h LEU 10 N 0.40 1.12 -0.48 0.00 3.38 -0.53 0.59 115.31 119.78 1mwn h LEU 10 Ca 0.11 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1mwn h LEU 10 Cb 0.31 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1mwn h LEU 10 CO 0.00 0.97 -0.01 0.40 0.09 0.00 0.00 178.44 179.90 1mwn h ILE 11 N 1.19 1.26 -0.38 1.22 2.04 -0.99 -2.59 117.51 119.26 1mwn h ILE 11 Ca 0.28 -1.07 -0.15 0.00 1.00 0.00 0.00 64.86 64.91 1mwn h ILE 11 Cb 0.18 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1mwn h ILE 11 CO -0.03 0.37 -0.36 -0.78 0.00 0.00 0.00 178.15 177.35 1mwn h ASP 12 N 0.70 0.95 -0.65 1.72 1.82 -0.93 -2.78 116.42 117.26 1mwn h ASP 12 Ca 0.14 -0.42 0.04 0.00 -0.39 0.00 0.00 57.03 56.39 1mwn h ASP 12 Cb 0.52 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 40.22 1mwn h ASP 12 CO 0.03 1.21 0.43 0.58 -1.61 0.00 0.00 179.24 179.87 1mwn h VAL 13 N 0.74 1.06 -0.01 2.25 2.07 -0.77 0.47 116.25 122.06 1mwn h VAL 13 Ca 0.07 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1mwn h VAL 13 Cb 0.95 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1mwn h VAL 13 CO 0.09 0.13 -0.00 0.15 0.02 0.00 0.00 177.57 177.96 1mwn h PHE 14 N 0.73 -0.00 -0.57 1.57 3.57 -1.18 -2.65 116.94 118.41 1mwn h PHE 14 Ca 0.27 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 1mwn h PHE 14 Cb 0.14 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1mwn h PHE 14 CO -0.00 -0.00 0.07 1.25 -2.23 0.00 0.00 178.31 177.39 1mwn h HIS 15 N 0.00 0.98 -0.33 0.41 2.76 -1.18 0.19 115.15 117.98 1mwn h HIS 15 Ca 0.01 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1mwn h HIS 15 Cb 0.01 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 1mwn h HIS 15 CO -0.09 0.85 0.22 0.37 -1.30 0.00 0.00 177.93 177.98 1mwn h GLN 16 N 0.87 0.43 0.00 5.26 4.15 -0.61 -2.61 115.11 122.60 1mwn h GLN 16 Ca 0.17 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.37 1mwn h GLN 16 Cb 0.42 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 1mwn h GLN 16 CO 0.01 0.29 -1.84 0.66 -1.93 0.00 0.00 178.83 176.02 1mwn n TYR 17 N -4.86 0.49 -0.17 3.99 4.01 -1.05 -4.25 117.16 115.33 1mwn n TYR 17 Ca -0.01 0.16 -0.06 0.00 -0.16 0.00 0.00 57.90 57.84 1mwn n TYR 17 Cb 0.03 -0.95 0.11 0.00 -0.31 0.00 0.00 39.34 38.21 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 0.90 0.00 7.72 0.87 -0.65 -2.15 113.55 120.25 1mwn h SER 18 Ca -0.25 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1mwn h SER 18 Cb 1.69 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1mwn h SER 18 CO 0.03 0.94 0.00 0.61 -0.53 0.00 0.00 176.83 177.88 1mwn n GLY 19 N -0.61 -0.63 0.38 5.77 0.00 -0.99 -3.56 105.19 105.56 1mwn n GLY 19 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1mwn n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mwn h ARG 20 N 0.00 1.33 -4.65 1.61 2.47 -1.60 -3.44 114.38 110.10 1mwn h ARG 20 Ca 0.00 -0.08 -0.23 0.00 -1.26 0.00 0.00 59.98 58.41 1mwn h ARG 20 Cb 0.00 -0.30 -0.15 0.00 -1.65 0.00 0.00 29.97 27.87 1mwn h ARG 20 CO 0.00 0.88 -0.69 -1.21 0.56 0.00 0.00 179.97 179.51 1mwn s GLU 21 N -6.12 0.87 0.59 0.04 2.02 -1.23 -5.00 118.70 109.87 1mwn s GLU 21 Ca -0.13 -1.37 0.29 0.00 0.02 0.00 0.00 54.97 53.79 1mwn s GLU 21 Cb 0.18 -0.18 1.35 0.00 0.10 0.00 0.00 34.13 35.58 1mwn s GLU 21 CO 0.82 -0.05 1.73 0.78 0.02 0.00 0.00 175.26 178.56 1mwn h GLY 22 N 2.93 0.00 -4.13 -1.39 0.00 -1.88 -2.47 103.07 96.13 1mwn h GLY 22 Ca -0.35 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1mwn h GLY 22 CO 0.64 0.00 0.02 1.22 0.00 0.00 0.00 176.54 178.43 1mwn n ASP 23 N -3.62 2.74 0.26 0.19 8.00 -1.26 -4.36 116.55 118.50 1mwn n ASP 23 Ca 0.14 -1.91 0.08 0.00 0.71 0.00 0.00 54.79 53.82 1mwn n ASP 23 Cb 0.97 -0.68 0.65 0.00 -0.02 0.00 0.00 41.12 42.04 1mwn n ASP 23 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1mwn h LYS 24 N 3.74 0.00 -0.22 -1.24 3.64 -1.58 -2.27 116.57 118.65 1mwn h LYS 24 Ca 0.06 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1mwn h LYS 24 Cb 0.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1mwn h LYS 24 CO 0.23 0.01 -0.45 0.45 -2.27 0.00 0.00 179.45 177.42 1mwn h HIS 25 N 0.00 0.65 -4.03 1.91 3.86 -1.89 -3.45 115.15 112.21 1mwn h HIS 25 Ca -0.00 -0.20 -0.55 0.00 -1.16 0.00 0.00 60.37 58.46 1mwn h HIS 25 Cb 0.02 -0.14 -0.23 0.00 1.06 0.00 0.00 27.41 28.12 1mwn h HIS 25 CO 0.00 0.90 -0.83 0.15 0.86 0.00 0.00 177.93 179.01 1mwn s LYS 26 N -4.16 1.18 -0.19 2.45 -0.14 -0.85 -4.50 119.74 113.53 1mwn s LYS 26 Ca -0.07 -1.03 -0.13 0.00 -1.36 0.00 0.00 55.97 53.38 1mwn s LYS 26 Cb 0.12 -1.35 -0.05 0.00 -1.68 0.00 0.00 37.83 34.87 1mwn s LYS 26 CO 0.83 0.33 0.24 -0.51 -0.76 0.00 0.00 175.35 175.47 1mwn s LEU 27 N -1.56 4.20 0.14 3.17 2.01 0.78 -4.76 118.68 122.68 1mwn s LEU 27 Ca 0.06 0.37 0.03 0.00 0.01 0.00 0.00 54.13 54.59 1mwn s LEU 27 Cb -0.09 -2.27 -0.04 0.00 0.01 0.00 0.00 46.19 43.80 1mwn s LEU 27 CO 0.03 0.10 0.26 -0.75 1.01 0.00 0.00 176.35 177.00 1mwn s LYS 28 N 0.63 3.39 0.44 1.70 2.20 -1.26 0.22 119.74 127.06 1mwn s LYS 28 Ca 0.13 -0.61 0.28 0.00 -0.36 0.00 0.00 55.97 55.41 1mwn s LYS 28 Cb -0.13 -2.94 1.35 0.00 -1.51 0.00 0.00 37.83 34.60 1mwn s LYS 28 CO 0.03 0.52 1.69 1.57 -0.36 0.00 0.00 175.35 178.80 1mwn h LYS 29 N 2.23 0.17 -0.44 4.03 2.10 -1.92 0.91 116.57 123.65 1mwn h LYS 29 Ca -0.48 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.11 1mwn h LYS 29 Cb 1.19 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 1mwn h LYS 29 CO 0.69 0.11 0.10 0.66 -2.00 0.00 0.00 179.45 179.01 1mwn h SER 30 N 0.17 0.67 -0.45 7.07 4.64 -1.93 0.36 113.55 124.09 1mwn h SER 30 Ca 0.72 -0.23 -0.14 0.00 -0.47 0.00 0.00 61.79 61.66 1mwn h SER 30 Cb 2.24 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 64.15 1mwn h SER 30 CO -0.30 0.73 -0.28 -0.33 -0.87 0.00 0.00 176.83 175.78 1mwn h GLU 31 N 0.58 0.99 -0.90 4.77 5.08 0.32 -2.86 114.58 122.56 1mwn h GLU 31 Ca 0.14 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1mwn h GLU 31 Cb 0.32 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1mwn h GLU 31 CO 0.00 1.13 0.50 1.25 -1.00 0.00 0.00 179.01 180.89 1mwn h LEU 32 N 0.83 1.12 -0.75 1.33 6.46 -0.47 -0.94 115.31 122.89 1mwn h LEU 32 Ca 0.09 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1mwn h LEU 32 Cb 0.87 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 1mwn h LEU 32 CO 0.08 0.89 0.49 0.50 -0.62 0.00 0.00 178.44 179.79 1mwn h LYS 33 N 1.26 0.98 -0.51 1.25 3.64 -0.71 -0.46 116.57 122.01 1mwn h LYS 33 Ca 0.32 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1mwn h LYS 33 Cb 0.02 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1mwn h LYS 33 CO -0.05 0.65 -0.12 1.49 -2.27 0.00 0.00 179.45 179.15 1mwn h GLU 34 N 1.01 0.97 0.03 1.90 4.57 -1.21 0.16 114.58 122.02 1mwn h GLU 34 Ca 0.27 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1mwn h GLU 34 Cb -0.12 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1mwn h GLU 34 CO -0.06 1.03 -0.02 1.25 -1.18 0.00 0.00 179.01 180.03 1mwn h LEU 35 N 0.86 -0.04 0.09 1.64 5.85 -0.42 -0.35 115.31 122.94 1mwn h LEU 35 Ca 0.13 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.62 1mwn h LEU 35 Cb 0.67 0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.74 1mwn h LEU 35 CO 0.05 -0.03 -0.99 0.40 -0.34 0.00 0.00 178.44 177.53 1mwn h ILE 36 N -0.05 1.37 0.00 4.05 2.04 -1.03 -2.94 117.51 120.95 1mwn h ILE 36 Ca -0.00 -2.37 -0.03 0.00 1.00 0.00 0.00 64.86 63.46 1mwn h ILE 36 Cb 0.04 2.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1mwn h ILE 36 CO 0.00 0.70 -0.13 -0.55 0.00 0.00 0.00 178.15 178.18 1mwn h ASN 37 N 0.05 0.00 0.42 1.72 7.08 -0.69 0.38 115.58 124.53 1mwn h ASN 37 Ca -0.15 0.00 -0.31 0.00 -3.08 0.00 0.00 56.30 52.76 1mwn h ASN 37 Cb 1.70 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.92 1mwn h ASN 37 CO 0.19 0.13 -1.67 -1.13 -2.08 0.00 0.00 177.43 172.87 1mwn h ASN 38 N 0.00 0.24 0.00 6.14 -1.24 -1.11 -3.31 115.58 116.30 1mwn h ASN 38 Ca -0.00 -0.42 -0.21 0.00 0.71 0.00 0.00 56.30 56.37 1mwn h ASN 38 Cb 0.60 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.53 1mwn h ASN 38 CO 0.02 1.37 -1.82 -0.62 -1.29 0.00 0.00 177.43 175.08 1mwn n GLU 39 N -3.31 1.97 -0.51 6.67 1.02 -1.11 -4.48 120.64 120.89 1mwn n GLU 39 Ca -0.19 -0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.03 1mwn n GLU 39 Cb 1.04 -1.31 0.32 0.00 -0.02 0.00 0.00 31.44 31.47 1mwn n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1mwn n LEU 40 N -2.43 4.19 0.00 -4.62 7.99 0.12 -4.61 117.00 117.64 1mwn n LEU 40 Ca -0.19 -2.11 0.00 0.00 -0.01 0.00 0.00 56.01 53.70 1mwn n LEU 40 Cb 0.88 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1mwn n LEU 40 CO 0.26 0.78 0.00 -1.54 -1.51 0.00 0.00 177.39 175.38 1mwn n SER 41 N 1.12 0.00 0.12 -1.43 3.41 -1.19 -2.67 113.62 112.98 1mwn n SER 41 Ca 0.23 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.92 1mwn n SER 41 Cb 0.76 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.83 7.33 -0.00 -1.86 -3.07 115.15 116.71 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 -0.04 0.00 -0.00 0.00 0.00 27.41 27.37 1mwn h HIS 42 CO 0.00 0.20 0.47 0.74 -0.00 0.00 0.00 177.93 179.34 1mwn h PHE 43 N 0.00 1.13 0.00 5.26 0.04 -1.82 -3.46 116.94 118.09 1mwn h PHE 43 Ca -0.04 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1mwn h PHE 43 Cb 1.19 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.97 1mwn h PHE 43 CO 0.00 0.77 0.00 -0.11 -0.60 0.00 0.00 178.31 178.37 1mwn n LEU 44 N -4.35 0.00 -4.74 1.54 7.94 -1.09 -5.08 117.00 111.22 1mwn n LEU 44 Ca 0.09 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.57 1mwn n LEU 44 Cb 0.09 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.02 1mwn n LEU 44 CO 0.38 0.00 1.30 1.21 -1.11 0.00 0.00 177.39 179.18 1mwn n GLU 45 N 0.00 2.77 -3.51 1.96 4.07 -1.21 -4.66 120.64 120.05 1mwn n GLU 45 Ca 0.00 0.99 -0.39 0.00 -0.06 0.00 0.00 57.16 57.70 1mwn n GLU 45 Cb 0.00 -2.80 -0.10 0.00 -0.06 0.00 0.00 31.44 28.47 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 0.07 3.91 -0.29 5.31 2.12 -1.16 -4.04 118.70 124.62 1mwn s GLU 46 Ca 0.68 -0.25 -0.12 0.00 0.36 0.00 0.00 54.97 55.64 1mwn s GLU 46 Cb -0.49 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 1mwn s GLU 46 CO 0.43 -0.25 0.21 0.42 -0.54 0.00 0.00 175.26 175.53 1mwn s ILE 47 N 1.87 5.30 0.00 -3.70 1.01 -1.26 -4.86 121.20 119.55 1mwn s ILE 47 Ca 0.10 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1mwn s ILE 47 Cb -0.16 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1mwn s ILE 47 CO 0.11 0.18 0.00 2.29 0.00 0.00 0.00 174.94 177.52 1mwn n LYS 48 N 5.09 3.87 -4.45 2.79 -0.00 -1.26 -4.49 118.16 119.71 1mwn n LYS 48 Ca -0.13 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 57.95 1mwn n LYS 48 Cb 0.51 -0.34 -0.10 0.00 -0.00 0.00 0.00 35.03 35.10 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 -0.63 1.61 0.30 -1.58 2.02 -1.26 -5.02 118.70 114.15 1mwn s GLU 49 Ca 0.00 -1.77 0.25 0.00 0.02 0.00 0.00 54.97 53.47 1mwn s GLU 49 Cb 0.00 -1.51 0.74 0.00 0.10 0.00 0.00 34.13 33.46 1mwn s GLU 49 CO 0.00 0.20 1.74 -0.56 0.02 0.00 0.00 175.26 176.66 1mwn h GLN 50 N 2.28 0.00 -0.35 1.61 3.07 -1.99 -3.29 115.11 116.44 1mwn h GLN 50 Ca -0.40 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.31 1mwn h GLN 50 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.79 1mwn h GLN 50 CO 0.64 0.00 0.11 1.05 0.09 0.00 0.00 178.83 180.72 1mwn h GLU 51 N 0.00 0.54 -0.60 0.06 4.11 -1.98 0.79 114.58 117.51 1mwn h GLU 51 Ca 0.00 -0.12 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 1mwn h GLU 51 Cb 0.75 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1mwn h GLU 51 CO 0.00 0.57 0.30 0.28 0.07 0.00 0.00 179.01 180.23 1mwn h VAL 52 N 0.41 1.20 -0.34 -1.06 2.07 -1.98 0.20 116.25 116.76 1mwn h VAL 52 Ca 0.11 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1mwn h VAL 52 Cb 0.25 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1mwn h VAL 52 CO -0.00 0.23 0.22 0.58 0.02 0.00 0.00 177.57 178.62 1mwn h VAL 53 N 0.81 1.09 -0.22 2.57 2.07 -1.56 1.38 116.25 122.39 1mwn h VAL 53 Ca 0.21 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1mwn h VAL 53 Cb 0.09 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1mwn h VAL 53 CO -0.03 0.08 0.12 -0.78 0.02 0.00 0.00 177.57 176.99 1mwn h ASP 54 N 0.46 0.27 -0.11 0.57 1.82 0.13 2.08 116.42 121.64 1mwn h ASP 54 Ca 0.12 -0.08 -0.12 0.00 -0.39 0.00 0.00 57.03 56.57 1mwn h ASP 54 Cb -0.05 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 39.88 1mwn h ASP 54 CO -0.03 0.27 -0.32 0.50 -1.61 0.00 0.00 179.24 178.05 1mwn h LYS 55 N 0.25 0.59 -0.00 0.28 3.64 -0.24 -0.77 116.57 120.32 1mwn h LYS 55 Ca 0.08 -0.26 -0.19 0.00 -1.27 0.00 0.00 60.65 59.00 1mwn h LYS 55 Cb 0.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1mwn h LYS 55 CO -0.01 0.83 -0.86 0.28 -2.27 0.00 0.00 179.45 177.42 1mwn h VAL 56 N 0.50 1.49 -0.28 2.00 2.07 0.24 -2.86 116.25 119.42 1mwn h VAL 56 Ca 0.06 -2.60 -0.14 0.00 0.82 0.00 0.00 66.70 64.84 1mwn h VAL 56 Cb 0.80 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1mwn h VAL 56 CO 0.07 0.76 -0.39 0.24 0.02 0.00 0.00 177.57 178.27 1mwn h MET 57 N 0.11 0.75 -0.05 1.57 2.86 0.36 -2.09 114.93 118.45 1mwn h MET 57 Ca -0.04 -0.44 -0.01 0.00 -2.06 0.00 0.00 59.70 57.15 1mwn h MET 57 Cb 1.49 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.18 1mwn h MET 57 CO 0.13 1.06 -0.02 1.49 1.06 0.00 0.00 176.91 180.63 1mwn h GLU 58 N 0.50 0.07 -0.36 1.72 4.81 -1.16 3.10 114.58 123.26 1mwn h GLU 58 Ca 0.03 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 1mwn h GLU 58 Cb 0.98 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1mwn h GLU 58 CO 0.09 0.10 -0.42 1.15 -0.73 0.00 0.00 179.01 179.20 1mwn h THR 59 N 0.07 1.27 0.00 0.32 2.02 -1.19 -3.28 112.91 112.13 1mwn h THR 59 Ca 0.02 -1.59 -0.26 0.00 0.77 0.00 0.00 66.41 65.34 1mwn h THR 59 Cb 0.09 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1mwn h THR 59 CO 0.00 0.53 -1.82 0.18 0.37 0.00 0.00 175.52 174.78 1mwn n LEU 60 N -4.05 1.68 -3.05 2.58 7.99 -0.69 -4.53 117.00 116.94 1mwn n LEU 60 Ca -0.03 0.29 -0.29 0.00 -0.01 0.00 0.00 56.01 55.97 1mwn n LEU 60 Cb 0.56 -0.68 -0.05 0.00 -0.11 0.00 0.00 43.42 43.15 1mwn n LEU 60 CO 0.49 0.21 2.77 -0.67 -1.51 0.00 0.00 177.39 178.68 1mwn n ASP 61 N -4.12 6.96 0.00 -1.43 2.03 1.03 -4.50 116.55 116.52 1mwn n ASP 61 Ca -0.35 -2.46 0.03 0.00 0.52 0.00 0.00 54.79 52.53 1mwn n ASP 61 Cb 0.70 -1.37 0.18 0.00 -0.72 0.00 0.00 41.12 39.90 1mwn n ASP 61 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1mwn n GLU 62 N 3.56 0.38 0.09 -0.67 1.02 -1.23 -1.19 120.64 122.60 1mwn n GLU 62 Ca 0.62 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.72 1mwn n GLU 62 Cb 0.31 -1.25 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 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 0.00 0.00 1.62 3.32 -1.89 -3.46 116.42 116.01 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 0.84 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 1mwn n GLY 64 N 0.99 0.54 0.44 2.75 0.00 -0.34 -4.85 105.19 104.72 1mwn n GLY 64 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 1.35 -2.88 1.61 5.75 -1.26 -4.89 116.55 116.23 1mwn n ASP 65 Ca 0.00 -1.53 -0.21 0.00 -0.01 0.00 0.00 54.79 53.04 1mwn n ASP 65 Cb 0.00 -0.04 0.04 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 1.12 -0.41 3.09 6.12 0.00 -1.26 -4.98 105.19 108.87 1mwn n GLY 66 Ca 0.18 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 -5.73 0.45 -0.01 1.61 2.02 -1.26 -3.15 118.70 112.64 1mwn s GLU 67 Ca 0.33 -0.40 0.03 0.00 0.02 0.00 0.00 54.97 54.95 1mwn s GLU 67 Cb -0.15 0.19 -0.01 0.00 0.10 0.00 0.00 34.13 34.27 1mwn s GLU 67 CO 0.41 -0.10 -0.09 0.00 0.02 0.00 0.00 175.26 175.50 1mwn s ASP 69 N -0.15 5.19 0.25 0.00 1.47 -1.26 0.27 116.67 122.44 1mwn s ASP 69 Ca 0.03 -0.73 -0.05 0.00 1.18 0.00 0.00 52.55 52.98 1mwn s ASP 69 Cb -0.04 -0.30 0.48 0.00 -0.34 0.00 0.00 42.92 42.71 1mwn s ASP 69 CO -0.00 -0.88 1.68 2.19 0.68 0.00 0.00 175.17 178.84 1mwn h PHE 70 N 0.71 0.29 -1.01 2.11 -5.15 -1.96 0.35 116.94 112.29 1mwn h PHE 70 Ca -0.38 0.04 0.01 0.00 -0.20 0.00 0.00 57.97 57.44 1mwn h PHE 70 Cb 1.28 -0.01 -0.05 0.00 0.22 0.00 0.00 35.95 37.39 1mwn h PHE 70 CO 0.52 -0.09 0.67 0.37 -2.00 0.00 0.00 178.31 177.79 1mwn h GLN 71 N 0.27 1.33 -0.42 6.09 -0.00 -1.97 -1.05 115.11 119.37 1mwn h GLN 71 Ca 0.42 -0.08 -0.15 0.00 -0.00 0.00 0.00 58.65 58.84 1mwn h GLN 71 Cb 0.73 -0.30 -0.01 0.00 0.00 0.00 0.00 27.48 27.90 1mwn h GLN 71 CO -0.51 0.88 -0.33 0.93 0.00 0.00 0.00 178.83 179.79 1mwn h GLU 72 N 1.37 0.96 -0.92 1.69 5.08 -0.80 -2.07 114.58 119.89 1mwn h GLU 72 Ca 0.37 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1mwn h GLU 72 Cb -0.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1mwn h GLU 72 CO -0.08 1.14 0.51 0.35 -1.00 0.00 0.00 179.01 179.93 1mwn h PHE 73 N 0.79 1.25 -0.02 4.33 3.57 -0.21 -1.27 116.94 125.39 1mwn h PHE 73 Ca 0.08 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 1mwn h PHE 73 Cb 0.92 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1mwn h PHE 73 CO 0.06 0.86 -0.38 0.52 -2.23 0.00 0.00 178.31 177.13 1mwn h MET 74 N 1.28 0.04 -0.03 1.11 2.86 -1.02 -2.37 114.93 116.81 1mwn h MET 74 Ca 0.32 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.84 1mwn h MET 74 Cb 0.01 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1mwn h MET 74 CO -0.05 0.42 -0.48 0.00 1.06 0.00 0.00 176.91 177.85 1mwn h ALA 75 N 1.58 1.15 -1.01 6.32 0.00 -0.54 -2.82 119.26 123.95 1mwn h ALA 75 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1mwn h ALA 75 Cb 0.69 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1mwn h ALA 75 CO 0.05 0.62 0.67 0.35 0.00 0.00 0.00 179.25 180.93 1mwn h PHE 76 N 0.05 1.27 -0.29 0.00 3.57 -0.82 0.72 116.94 121.44 1mwn h PHE 76 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1mwn h PHE 76 Cb 0.87 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1mwn h PHE 76 CO 0.00 0.80 0.12 0.28 -2.23 0.00 0.00 178.31 177.29 1mwn h VAL 77 N 1.37 1.17 -0.81 1.41 2.07 -1.51 -0.91 116.25 119.04 1mwn h VAL 77 Ca 0.37 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1mwn h VAL 77 Cb -0.16 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1mwn h VAL 77 CO -0.08 0.18 0.53 0.28 0.02 0.00 0.00 177.57 178.50 1mwn h SER 78 N 0.32 0.93 -0.32 0.57 0.02 -1.24 1.58 113.55 115.40 1mwn h SER 78 Ca 0.10 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1mwn h SER 78 Cb 0.16 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1mwn h SER 78 CO -0.01 0.68 0.12 -0.03 -1.14 0.00 0.00 176.83 176.45 1mwn h MET 79 N 1.09 0.49 0.00 3.45 -1.53 -0.54 -1.94 114.93 115.96 1mwn h MET 79 Ca 0.29 -0.09 -0.17 0.00 -3.44 0.00 0.00 59.70 56.29 1mwn h MET 79 Cb -0.12 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 30.83 1mwn h MET 79 CO -0.06 0.50 -0.83 0.28 0.14 0.00 0.00 176.91 176.94 1mwn h VAL 80 N 0.37 1.45 -0.96 -5.77 2.07 -0.75 -3.13 116.25 109.54 1mwn h VAL 80 Ca 0.11 -2.99 -0.00 0.00 0.82 0.00 0.00 66.70 64.64 1mwn h VAL 80 Cb 0.20 2.68 -0.05 0.00 -1.52 0.00 0.00 31.29 32.60 1mwn h VAL 80 CO -0.01 0.81 0.58 0.74 0.02 0.00 0.00 177.57 179.72 1mwn h THR 81 N 0.00 1.26 -0.51 2.57 2.02 0.25 0.11 112.91 118.61 1mwn h THR 81 Ca -0.01 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 1mwn h THR 81 Cb 1.61 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1mwn h THR 81 CO 0.11 0.27 0.07 0.74 0.37 0.00 0.00 175.52 177.08 1mwn h THR 82 N 1.32 1.25 -0.20 3.16 2.02 -1.35 0.50 112.91 119.62 1mwn h THR 82 Ca 0.34 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1mwn h THR 82 Cb -0.07 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1mwn h THR 82 CO -0.07 0.34 0.05 0.00 0.37 0.00 0.00 175.52 176.22 1mwn h ALA 83 N 0.97 0.26 -0.69 6.16 0.00 -1.33 0.06 119.26 124.70 1mwn h ALA 83 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1mwn h ALA 83 Cb 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1mwn h ALA 83 CO 0.01 -0.09 0.24 0.00 0.00 0.00 0.00 179.25 179.41 1mwn h HIS 85 N 1.00 1.27 -1.00 0.00 6.17 0.31 -2.01 115.15 120.89 1mwn h HIS 85 Ca 0.23 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.35 1mwn h HIS 85 Cb 0.27 -0.43 -0.05 0.00 2.52 0.00 0.00 27.41 29.72 1mwn h HIS 85 CO 0.02 0.80 0.67 1.49 0.71 0.00 0.00 177.93 181.61 1mwn h GLU 86 N 1.36 1.32 -5.57 5.26 4.81 -0.48 -3.36 114.58 117.92 1mwn h GLU 86 Ca 0.37 -0.08 -0.24 0.00 -0.13 0.00 0.00 59.36 59.28 1mwn h GLU 86 Cb -0.16 -0.30 -0.01 0.00 0.63 0.00 0.00 28.75 28.91 1mwn h GLU 86 CO -0.08 0.87 0.74 0.12 -0.73 0.00 0.00 179.01 179.94 1mwn s PHE 87 N -6.12 1.32 -0.05 0.92 5.36 -0.75 -4.89 117.98 113.77 1mwn s PHE 87 Ca -0.13 1.46 0.04 0.00 -0.96 0.00 0.00 56.93 57.34 1mwn s PHE 87 Cb 0.18 -3.68 -0.00 0.00 -0.34 0.00 0.00 43.02 39.18 1mwn s PHE 87 CO 0.82 -1.94 -0.18 0.12 -1.46 0.00 0.00 175.22 172.57 1mwn s PHE 88 N 12.47 1.84 0.00 10.12 2.19 -1.26 -5.00 117.98 138.34 1mwn s PHE 88 Ca 0.86 -0.55 0.00 0.00 0.33 0.00 0.00 56.93 57.57 1mwn s PHE 88 Cb -0.13 -1.24 0.00 0.00 -1.31 0.00 0.00 43.02 40.35 1mwn s PHE 88 CO 0.12 -0.19 0.00 -1.91 1.83 0.00 0.00 175.22 175.08 1mwn n GLU 89 N 3.15 0.00 -0.34 10.12 4.07 -1.26 -5.02 120.64 131.37 1mwn n GLU 89 Ca -0.18 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 56.88 1mwn n GLU 89 Cb 0.53 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 32.00 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 1.24 0.00 4.31 3.86 -2.05 -3.56 115.15 118.95 1mwn h HIS 90 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1mwn h HIS 90 Cb 0.00 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.07 1mwn h HIS 90 CO 0.00 0.86 0.00 0.39 0.86 0.00 0.00 177.93 180.04