#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hmu s GLN 8 N 0.00 4.33 -0.07 1.64 -1.52 -1.26 -4.96 119.66 117.83 2hmu s GLN 8 Ca 0.00 2.07 0.01 0.00 -1.95 0.00 0.00 55.36 55.48 2hmu s GLN 8 Cb 0.00 -3.00 0.02 0.00 -0.22 0.00 0.00 33.01 29.81 2hmu s GLN 8 CO 0.00 -0.16 -0.06 -0.06 -0.25 0.00 0.00 175.29 174.77 2hmu s PHE 9 N -1.20 1.03 -0.05 0.91 0.08 -1.26 -1.96 117.98 115.53 2hmu s PHE 9 Ca 0.50 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.19 2hmu s PHE 9 Cb -0.37 -0.89 0.01 0.00 -0.57 0.00 0.00 43.02 41.21 2hmu s PHE 9 CO 0.48 -0.30 -0.09 0.00 -0.10 0.00 0.00 175.22 175.21 2hmu s ALA 10 N 1.21 0.98 -0.19 5.36 0.00 -0.40 -1.73 121.76 127.00 2hmu s ALA 10 Ca -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 2hmu s ALA 10 Cb -0.14 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2hmu s ALA 10 CO -0.02 0.10 -0.14 0.08 0.00 0.00 0.00 175.76 175.78 2hmu s VAL 11 N 0.56 2.53 -0.34 0.00 1.01 -0.19 -0.65 120.40 123.32 2hmu s VAL 11 Ca -0.10 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 2hmu s VAL 11 Cb -0.13 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2hmu s VAL 11 CO 0.02 0.50 0.18 -0.63 0.00 0.00 0.00 175.10 175.17 2hmu s ILE 12 N 1.35 4.67 0.00 2.22 -1.09 0.49 -1.33 121.20 127.50 2hmu s ILE 12 Ca 0.05 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2hmu s ILE 12 Cb -0.13 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 2hmu s ILE 12 CO -0.09 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.17 2hmu n GLY 13 N 5.00 1.22 2.72 6.18 0.00 0.18 0.24 105.19 120.72 2hmu n GLY 13 Ca -0.13 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 2hmu n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hmu n LEU 14 N 0.00 6.92 0.00 0.99 4.77 -1.26 -4.11 117.00 124.31 2hmu n LEU 14 Ca 0.00 -5.35 0.00 0.00 -0.03 0.00 0.00 56.01 50.63 2hmu n LEU 14 Cb 0.00 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2hmu n LEU 14 CO 0.00 2.06 0.00 0.61 -1.33 0.00 0.00 177.39 178.73 2hmu n GLY 15 N -0.16 0.43 0.21 -0.72 0.00 -1.26 -4.36 105.19 99.32 2hmu n GLY 15 Ca 0.45 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 2hmu n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hmu h ARG 16 N 0.00 0.67 0.62 1.61 3.08 -1.95 0.60 114.38 119.01 2hmu h ARG 16 Ca 0.00 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2hmu h ARG 16 Cb 0.00 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 29.93 2hmu h ARG 16 CO 0.00 0.54 -0.30 0.35 -1.07 0.00 0.00 179.97 179.49 2hmu h PHE 17 N 0.62 -0.78 -0.40 3.04 3.57 -1.93 -1.97 116.94 119.09 2hmu h PHE 17 Ca 0.16 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2hmu h PHE 17 Cb 0.07 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2hmu h PHE 17 CO -0.02 -0.48 0.24 0.78 -2.23 0.00 0.00 178.31 176.60 2hmu h GLY 18 N -1.17 0.58 0.91 2.40 0.00 -1.71 -2.13 103.07 101.95 2hmu h GLY 18 Ca -0.09 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.02 2hmu h GLY 18 CO 0.14 0.24 0.55 -1.33 0.00 0.00 0.00 176.54 176.14 2hmu h GLY 19 N 0.52 1.22 1.29 4.60 0.00 0.11 -2.26 103.07 108.55 2hmu h GLY 19 Ca 0.14 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 2hmu h GLY 19 CO -0.03 0.38 0.24 0.23 0.00 0.00 0.00 176.54 177.36 2hmu h SER 20 N 1.09 0.83 0.85 0.19 0.87 -0.98 -1.96 113.55 114.44 2hmu h SER 20 Ca 0.33 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 2hmu h SER 20 Cb -0.03 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2hmu h SER 20 CO -0.10 0.76 -0.33 -0.29 -0.53 0.00 0.00 176.83 176.33 2hmu h ILE 21 N 0.89 0.80 -0.16 2.23 -0.00 -0.84 -2.33 117.51 118.11 2hmu h ILE 21 Ca 0.21 -1.40 -0.06 0.00 -0.00 0.00 0.00 64.86 63.60 2hmu h ILE 21 Cb 0.19 1.88 -0.00 0.00 -0.00 0.00 0.00 36.82 38.89 2hmu h ILE 21 CO -0.02 0.33 -0.15 0.58 -0.00 0.00 0.00 178.15 178.89 2hmu h VAL 22 N 0.00 1.34 -0.87 2.19 2.07 -0.88 -1.98 116.25 118.12 2hmu h VAL 22 Ca -0.00 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 2hmu h VAL 22 Cb 0.85 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 2hmu h VAL 22 CO 0.04 0.39 0.48 0.11 0.02 0.00 0.00 177.57 178.61 2hmu h LYS 23 N 0.01 1.21 -0.40 1.57 1.57 -1.32 -2.09 116.57 117.13 2hmu h LYS 23 Ca 0.02 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 2hmu h LYS 23 Cb 0.68 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2hmu h LYS 23 CO 0.04 0.88 -0.13 0.93 -0.57 0.00 0.00 179.45 180.60 2hmu h GLU 24 N 1.22 0.79 -0.64 3.15 4.39 -1.39 -0.99 114.58 121.10 2hmu h GLU 24 Ca 0.31 -0.32 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2hmu h GLU 24 Cb 0.02 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 2hmu h GLU 24 CO -0.05 0.94 0.37 -0.07 -1.16 0.00 0.00 179.01 179.04 2hmu h LEU 25 N 0.60 0.58 0.11 1.33 3.38 -1.10 -0.57 115.31 119.65 2hmu h LEU 25 Ca 0.10 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2hmu h LEU 25 Cb 0.67 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2hmu h LEU 25 CO 0.05 0.39 -0.05 -0.74 0.09 0.00 0.00 178.44 178.17 2hmu h HIS 26 N 0.71 -0.14 -0.88 1.13 2.76 -1.19 0.24 115.15 117.78 2hmu h HIS 26 Ca 0.27 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.51 2hmu h HIS 26 Cb 0.10 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.05 2hmu h HIS 26 CO -0.07 -0.07 0.57 -0.09 -1.30 0.00 0.00 177.93 176.97 2hmu h ARG 27 N -0.17 0.92 -0.95 5.26 2.43 -0.81 0.28 114.38 121.33 2hmu h ARG 27 Ca -0.02 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 2hmu h ARG 27 Cb 0.14 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2hmu h ARG 27 CO 0.03 0.61 0.07 -1.33 -1.51 0.00 0.00 179.97 177.83 2hmu n MET 28 N -4.50 1.56 -3.68 0.20 2.81 -0.25 -4.86 117.12 108.39 2hmu n MET 28 Ca 0.14 -0.65 -0.27 0.00 -1.81 0.00 0.00 57.70 55.10 2hmu n MET 28 Cb 0.24 -1.46 0.03 0.00 -0.71 0.00 0.00 33.22 31.31 2hmu n MET 28 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hmu n GLY 29 N 0.14 -0.51 3.66 3.03 0.00 0.99 -5.00 105.19 107.51 2hmu n GLY 29 Ca 0.09 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 2hmu n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hmu s HIS 30 N -3.23 2.87 0.01 1.61 3.76 0.81 -5.00 115.29 116.12 2hmu s HIS 30 Ca 0.57 -0.11 -0.17 0.00 -0.15 0.00 0.00 55.06 55.20 2hmu s HIS 30 Cb -0.28 -1.42 -0.06 0.00 1.11 0.00 0.00 32.58 31.93 2hmu s HIS 30 CO 0.71 0.50 0.48 -1.83 -0.85 0.00 0.00 174.74 173.74 2hmu s GLU 31 N -2.71 4.08 -0.06 1.40 -1.05 -1.26 -3.98 118.70 115.12 2hmu s GLU 31 Ca 0.26 0.53 -0.04 0.00 -0.15 0.00 0.00 54.97 55.58 2hmu s GLU 31 Cb -0.10 -3.26 0.02 0.00 -0.44 0.00 0.00 34.13 30.35 2hmu s GLU 31 CO 0.18 0.59 0.15 0.08 0.95 0.00 0.00 175.26 177.21 2hmu s VAL 32 N -0.82 -0.02 -0.25 1.83 1.01 -1.26 -4.37 120.40 116.52 2hmu s VAL 32 Ca 0.26 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.14 2hmu s VAL 32 Cb -0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2hmu s VAL 32 CO 0.15 0.03 0.50 -0.22 0.00 0.00 0.00 175.10 175.56 2hmu s LEU 33 N 0.54 4.07 -0.12 3.92 1.98 -0.70 -1.87 118.68 126.49 2hmu s LEU 33 Ca -0.04 0.53 -0.04 0.00 -2.89 0.00 0.00 54.13 51.70 2hmu s LEU 33 Cb -0.05 -2.65 -0.03 0.00 0.66 0.00 0.00 46.19 44.11 2hmu s LEU 33 CO -0.03 -0.25 0.02 0.00 -1.89 0.00 0.00 176.35 174.20 2hmu s ALA 34 N 2.13 3.32 0.00 5.97 0.00 -0.15 -1.03 121.76 132.01 2hmu s ALA 34 Ca 0.21 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 2hmu s ALA 34 Cb -0.16 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2hmu s ALA 34 CO 0.09 0.44 0.06 0.54 0.00 0.00 0.00 175.76 176.90 2hmu s VAL 35 N -0.42 0.08 0.04 0.00 0.11 -0.45 -0.50 120.40 119.26 2hmu s VAL 35 Ca 0.08 -0.62 -0.27 0.00 -2.93 0.00 0.00 61.98 58.24 2hmu s VAL 35 Cb -0.12 -0.30 0.09 0.00 -1.53 0.00 0.00 36.38 34.52 2hmu s VAL 35 CO 0.02 -0.34 0.76 -0.62 -3.33 0.00 0.00 175.10 171.59 2hmu s ASP 36 N -1.10 -0.48 0.22 3.54 2.15 -1.11 -0.64 116.67 119.25 2hmu s ASP 36 Ca -0.12 0.11 0.13 0.00 0.43 0.00 0.00 52.55 53.11 2hmu s ASP 36 Cb -0.07 0.48 -0.02 0.00 -0.30 0.00 0.00 42.92 43.02 2hmu s ASP 36 CO 0.00 -0.74 1.34 0.16 -0.17 0.00 0.00 175.17 175.76 2hmu h ILE 37 N 2.15 1.01 -3.46 4.11 3.07 -1.83 -0.46 117.51 122.10 2hmu h ILE 37 Ca -0.27 -2.46 -0.61 0.00 1.55 0.00 0.00 64.86 63.08 2hmu h ILE 37 Cb 1.25 2.48 -0.11 0.00 -0.27 0.00 0.00 36.82 40.17 2hmu h ILE 37 CO 0.35 0.57 0.38 0.21 -1.05 0.00 0.00 178.15 178.61 2hmu s ASN 38 N -6.44 6.63 0.22 2.16 3.84 -1.26 -4.66 114.94 115.43 2hmu s ASN 38 Ca 0.03 0.58 -0.08 0.00 0.21 0.00 0.00 52.86 53.60 2hmu s ASN 38 Cb 0.08 -2.40 0.30 0.00 -0.55 0.00 0.00 41.25 38.68 2hmu s ASN 38 CO 0.77 -0.64 1.80 1.05 -2.79 0.00 0.00 177.10 177.29 2hmu h GLU 39 N 8.20 0.65 -0.78 0.43 4.11 -1.99 -1.55 114.58 123.66 2hmu h GLU 39 Ca -0.24 -0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.25 2hmu h GLU 39 Cb 1.10 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.12 2hmu h GLU 39 CO 0.89 0.43 0.42 1.49 0.07 0.00 0.00 179.01 182.31 2hmu h GLU 40 N 0.67 0.67 -0.34 1.06 4.81 -1.98 -0.42 114.58 119.05 2hmu h GLU 40 Ca 0.33 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2hmu h GLU 40 Cb 0.28 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2hmu h GLU 40 CO -0.22 0.44 0.17 0.87 -0.73 0.00 0.00 179.01 179.54 2hmu h LYS 41 N 0.69 0.49 -0.77 1.92 6.56 -1.69 -2.05 116.57 121.73 2hmu h LYS 41 Ca 0.39 -0.07 0.02 0.00 -1.06 0.00 0.00 60.65 59.93 2hmu h LYS 41 Cb 0.41 -0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 31.94 2hmu h LYS 41 CO -0.27 0.43 0.51 0.28 -2.06 0.00 0.00 179.45 178.34 2hmu h VAL 42 N 0.42 1.17 -0.35 0.50 2.07 -0.58 -2.53 116.25 116.94 2hmu h VAL 42 Ca 0.12 -0.34 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 2hmu h VAL 42 Cb 0.10 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2hmu h VAL 42 CO -0.02 0.18 -0.42 0.78 0.02 0.00 0.00 177.57 178.12 2hmu h ASN 43 N 1.00 0.94 0.00 0.57 2.35 -0.81 -2.07 115.58 117.55 2hmu h ASN 43 Ca 0.29 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2hmu h ASN 43 Cb -0.06 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.05 2hmu h ASN 43 CO -0.07 1.23 0.06 0.00 -1.65 0.00 0.00 177.43 177.00 2hmu h ALA 44 N 0.81 1.06 0.00 -0.83 0.00 -0.93 -2.39 119.26 116.98 2hmu h ALA 44 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2hmu h ALA 44 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2hmu h ALA 44 CO 0.10 -0.06 -0.01 0.66 0.00 0.00 0.00 179.25 179.94 2hmu n TYR 45 N -2.81 0.00 -0.33 0.00 4.02 -1.13 -4.78 117.16 112.12 2hmu n TYR 45 Ca -0.02 -0.41 0.03 0.00 -0.01 0.00 0.00 57.90 57.48 2hmu n TYR 45 Cb 0.12 -0.04 0.21 0.00 -0.02 0.00 0.00 39.34 39.60 2hmu n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2hmu h ALA 46 N 0.00 1.45 0.00 -0.72 0.00 -0.83 -1.70 119.26 117.46 2hmu h ALA 46 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hmu h ALA 46 Cb 0.64 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2hmu h ALA 46 CO 0.00 0.43 0.00 -1.13 0.00 0.00 0.00 179.25 178.55 2hmu n SER 47 N -4.48 0.63 0.00 0.00 3.41 -1.26 -3.23 113.62 108.70 2hmu n SER 47 Ca 0.14 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.47 2hmu n SER 47 Cb 0.16 -0.77 -0.09 0.00 -0.26 0.00 0.00 64.21 63.26 2hmu n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2hmu n TYR 48 N -2.16 0.06 -4.22 7.33 4.02 -0.66 -4.96 117.16 116.57 2hmu n TYR 48 Ca 0.03 0.02 -0.28 0.00 -0.01 0.00 0.00 57.90 57.66 2hmu n TYR 48 Cb 0.29 -0.23 -0.09 0.00 -0.02 0.00 0.00 39.34 39.29 2hmu n TYR 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2hmu s ALA 49 N -3.18 3.06 0.18 -0.72 0.00 -1.11 -4.52 121.76 115.48 2hmu s ALA 49 Ca 0.03 -1.32 -0.13 0.00 0.00 0.00 0.00 51.96 50.55 2hmu s ALA 49 Cb 0.15 -0.92 0.09 0.00 0.00 0.00 0.00 23.12 22.44 2hmu s ALA 49 CO 0.86 0.56 1.85 1.15 0.00 0.00 0.00 175.76 180.18 2hmu h THR 50 N 2.87 1.16 -3.52 0.00 2.02 -1.67 -3.42 112.91 110.35 2hmu h THR 50 Ca -0.48 -0.29 -0.26 0.00 0.77 0.00 0.00 66.41 66.16 2hmu h THR 50 Cb 1.18 0.28 -0.31 0.00 -1.74 0.00 0.00 68.15 67.56 2hmu h THR 50 CO 0.55 0.15 -0.68 -1.00 0.37 0.00 0.00 175.52 174.91 2hmu s HIS 51 N -6.13 -0.04 -0.22 3.16 3.76 -1.24 -5.06 115.29 109.52 2hmu s HIS 51 Ca -0.13 0.18 0.02 0.00 -0.15 0.00 0.00 55.06 54.98 2hmu s HIS 51 Cb 0.13 -0.10 0.04 0.00 1.11 0.00 0.00 32.58 33.76 2hmu s HIS 51 CO 0.76 -0.07 -0.13 0.00 -0.85 0.00 0.00 174.74 174.44 2hmu s ALA 52 N 0.65 2.35 -0.05 -1.40 0.00 -1.26 -0.97 121.76 121.07 2hmu s ALA 52 Ca -0.05 -1.47 0.06 0.00 0.00 0.00 0.00 51.96 50.50 2hmu s ALA 52 Cb -0.07 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 2hmu s ALA 52 CO -0.02 -0.87 -0.22 0.08 0.00 0.00 0.00 175.76 174.73 2hmu s VAL 53 N 1.23 2.38 -0.23 0.00 1.01 0.34 -4.99 120.40 120.14 2hmu s VAL 53 Ca -0.03 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 2hmu s VAL 53 Cb -0.17 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 2hmu s VAL 53 CO -0.08 0.58 0.90 -0.63 0.00 0.00 0.00 175.10 175.87 2hmu s ILE 54 N -0.41 4.78 -0.06 2.22 1.01 -1.26 -2.74 121.20 124.75 2hmu s ILE 54 Ca 0.04 1.73 -0.29 0.00 0.00 0.00 0.00 60.65 62.12 2hmu s ILE 54 Cb -0.12 -4.18 0.10 0.00 0.01 0.00 0.00 42.46 38.26 2hmu s ILE 54 CO 0.02 -0.11 0.83 0.00 0.00 0.00 0.00 174.94 175.68 2hmu s ALA 55 N 2.94 -1.83 -0.46 9.38 0.00 -0.18 -4.95 121.76 126.65 2hmu s ALA 55 Ca 0.38 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.45 2hmu s ALA 55 Cb -0.15 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 22.91 2hmu s ALA 55 CO 0.07 -0.45 0.49 1.21 0.00 0.00 0.00 175.76 177.09 2hmu s ASN 56 N -1.56 6.19 0.00 0.00 3.84 -1.26 -2.62 114.94 119.53 2hmu s ASN 56 Ca -0.03 -0.92 0.04 0.00 0.21 0.00 0.00 52.86 52.16 2hmu s ASN 56 Cb -0.00 -2.24 0.20 0.00 -0.55 0.00 0.00 41.25 38.66 2hmu s ASN 56 CO 0.01 -0.71 0.97 0.00 -2.79 0.00 0.00 177.10 174.58 2hmu n ALA 57 N 5.70 1.37 0.09 1.71 0.00 -1.26 -1.68 120.51 126.45 2hmu n ALA 57 Ca -0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 2hmu n ALA 57 Cb 0.46 -1.06 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 2hmu n ALA 57 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2hmu h THR 58 N 0.00 1.55 -3.41 0.00 2.02 -1.91 -3.43 112.91 107.73 2hmu h THR 58 Ca 0.00 -3.14 -0.57 0.00 0.77 0.00 0.00 66.41 63.48 2hmu h THR 58 Cb 0.04 2.92 -0.06 0.00 -1.74 0.00 0.00 68.15 69.31 2hmu h THR 58 CO 0.00 0.91 1.01 -1.61 0.37 0.00 0.00 175.52 176.20 2hmu s GLU 59 N -2.67 3.67 0.35 6.66 0.41 -0.67 -4.92 118.70 121.53 2hmu s GLU 59 Ca -0.03 0.85 0.09 0.00 -0.41 0.00 0.00 54.97 55.47 2hmu s GLU 59 Cb 0.08 -3.96 0.81 0.00 -1.78 0.00 0.00 34.13 29.28 2hmu s GLU 59 CO 0.87 -1.44 1.85 0.93 -0.49 0.00 0.00 175.26 176.99 2hmu h GLU 60 N 9.99 0.68 -0.67 1.61 5.08 -1.87 -1.01 114.58 128.39 2hmu h GLU 60 Ca -0.26 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 2hmu h GLU 60 Cb 1.09 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 2hmu h GLU 60 CO 1.09 0.45 0.14 -2.95 -1.00 0.00 0.00 179.01 176.74 2hmu h ASN 61 N 0.70 1.03 0.71 1.42 -1.07 -1.95 -1.89 115.58 114.53 2hmu h ASN 61 Ca 0.47 -0.25 -0.10 0.00 0.07 0.00 0.00 56.30 56.50 2hmu h ASN 61 Cb 0.77 -0.27 -0.01 0.00 -2.07 0.00 0.00 38.32 36.73 2hmu h ASN 61 CO -0.23 1.01 -0.46 -0.33 0.07 0.00 0.00 177.43 177.49 2hmu h GLU 62 N 1.01 0.00 -0.14 4.14 5.08 -1.58 -1.96 114.58 121.13 2hmu h GLU 62 Ca 0.21 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 2hmu h GLU 62 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2hmu h GLU 62 CO 0.01 0.46 -0.50 1.25 -1.00 0.00 0.00 179.01 179.23 2hmu h LEU 63 N 0.00 0.41 0.22 1.33 5.85 -0.76 -2.83 115.31 119.52 2hmu h LEU 63 Ca -0.00 -0.20 -0.33 0.00 0.84 0.00 0.00 57.88 58.19 2hmu h LEU 63 Cb 0.94 -0.12 0.03 0.00 0.37 0.00 0.00 40.66 41.88 2hmu h LEU 63 CO 0.06 0.84 -1.47 -0.07 -0.34 0.00 0.00 178.44 177.46 2hmu h LEU 64 N 0.30 0.72 0.00 2.25 3.38 -1.15 -2.92 115.31 117.89 2hmu h LEU 64 Ca 0.01 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2hmu h LEU 64 Cb 0.98 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2hmu h LEU 64 CO 0.08 1.64 0.00 -1.54 0.09 0.00 0.00 178.44 178.71 2hmu n SER 65 N -3.65 0.00 -0.06 -0.43 3.41 -0.76 -1.53 113.62 110.60 2hmu n SER 65 Ca -0.16 -0.74 -0.03 0.00 -0.26 0.00 0.00 58.87 57.69 2hmu n SER 65 Cb 1.09 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.88 2hmu n SER 65 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2hmu n LEU 66 N -0.95 0.00 0.00 1.04 7.94 -1.07 -4.99 117.00 118.96 2hmu n LEU 66 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 2hmu n LEU 66 Cb 0.07 0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.32 2hmu n LEU 66 CO 0.11 0.31 0.00 0.61 -1.11 0.00 0.00 177.39 177.31 2hmu n GLY 67 N 1.65 0.53 0.55 -3.96 0.00 -0.58 -4.92 105.19 98.47 2hmu n GLY 67 Ca -0.22 0.00 0.39 0.00 0.00 0.00 0.00 46.02 46.19 2hmu n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hmu h ILE 68 N 0.00 0.27 0.00 -0.61 6.09 -1.81 0.29 117.51 121.74 2hmu h ILE 68 Ca 0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 2hmu h ILE 68 Cb 0.00 0.20 0.00 0.00 0.47 0.00 0.00 36.82 37.49 2hmu h ILE 68 CO 0.00 0.01 0.00 0.08 -3.07 0.00 0.00 178.15 175.17 2hmu h ARG 69 N 0.06 0.00 -0.01 2.19 0.11 -1.91 -2.26 114.38 112.57 2hmu h ARG 69 Ca 0.71 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.79 2hmu h ARG 69 Cb 2.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.69 2hmu h ARG 69 CO -0.11 0.00 -0.12 0.09 0.10 0.00 0.00 179.97 179.92 2hmu n ASN 70 N -2.65 0.63 -4.87 0.08 5.03 0.10 -4.87 115.26 108.72 2hmu n ASN 70 Ca -0.01 -0.72 -0.32 0.00 0.87 0.00 0.00 54.58 54.40 2hmu n ASN 70 Cb 0.10 -0.03 -0.05 0.00 -1.02 0.00 0.00 39.78 38.78 2hmu n ASN 70 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2hmu s PHE 71 N -2.43 3.43 -0.00 3.10 0.40 -0.85 -4.89 117.98 116.74 2hmu s PHE 71 Ca 0.29 0.92 -0.07 0.00 -0.60 0.00 0.00 56.93 57.47 2hmu s PHE 71 Cb 0.20 -2.29 -0.30 0.00 0.51 0.00 0.00 43.02 41.14 2hmu s PHE 71 CO 0.47 0.26 0.84 0.93 0.70 0.00 0.00 175.22 178.42 2hmu h GLU 72 N 2.58 0.34 -4.38 0.44 4.39 -1.89 -3.39 114.58 112.66 2hmu h GLU 72 Ca -0.47 -0.58 -0.51 0.00 0.34 0.00 0.00 59.36 58.14 2hmu h GLU 72 Cb 1.17 0.22 -0.35 0.00 -0.10 0.00 0.00 28.75 29.69 2hmu h GLU 72 CO 0.69 1.23 -0.81 0.71 -1.16 0.00 0.00 179.01 179.67 2hmu s TYR 73 N -2.61 1.38 -0.09 4.33 1.51 -0.83 -1.36 117.35 119.68 2hmu s TYR 73 Ca -0.11 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.40 2hmu s TYR 73 Cb 0.06 -1.08 0.02 0.00 -0.11 0.00 0.00 41.96 40.85 2hmu s TYR 73 CO 0.87 -0.34 -0.12 0.08 -1.11 0.00 0.00 175.55 174.93 2hmu s VAL 74 N 1.03 1.23 -0.20 0.71 1.01 -0.52 -1.27 120.40 122.40 2hmu s VAL 74 Ca -0.08 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 2hmu s VAL 74 Cb -0.15 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 2hmu s VAL 74 CO -0.01 0.39 -0.00 -0.63 0.00 0.00 0.00 175.10 174.85 2hmu s ILE 75 N 1.06 3.97 -0.38 2.22 1.01 0.18 -1.92 121.20 127.33 2hmu s ILE 75 Ca -0.07 -0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 2hmu s ILE 75 Cb -0.15 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.54 2hmu s ILE 75 CO -0.01 0.43 0.38 -0.69 0.00 0.00 0.00 174.94 175.05 2hmu s VAL 76 N 0.94 5.15 -0.27 2.92 1.01 0.18 -0.38 120.40 129.95 2hmu s VAL 76 Ca 0.01 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 61.88 2hmu s VAL 76 Cb -0.14 -3.92 0.45 0.00 0.00 0.00 0.00 36.38 32.77 2hmu s VAL 76 CO 0.02 -0.25 1.21 0.00 0.00 0.00 0.00 175.10 176.08 2hmu n ALA 77 N 5.44 4.59 -1.69 5.51 0.00 0.14 -1.61 120.51 132.89 2hmu n ALA 77 Ca -0.09 -3.63 -0.35 0.00 0.00 0.00 0.00 53.44 49.38 2hmu n ALA 77 Cb 0.48 -0.34 0.03 0.00 0.00 0.00 0.00 19.45 19.62 2hmu n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2hmu s ILE 78 N -4.15 2.83 0.00 0.00 -1.09 -1.24 -4.63 121.20 112.91 2hmu s ILE 78 Ca 0.47 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 2hmu s ILE 78 Cb 0.40 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.13 2hmu s ILE 78 CO 0.00 -0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.19 2hmu n GLY 79 N 0.27 0.59 0.46 6.18 0.00 -1.26 -4.86 105.19 106.56 2hmu n GLY 79 Ca 0.13 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.43 2hmu n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hmu h ALA 80 N -1.20 2.59 -0.30 4.61 0.00 -2.01 -3.28 119.26 119.67 2hmu h ALA 80 Ca 0.00 0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.33 2hmu h ALA 80 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2hmu h ALA 80 CO 0.00 -0.99 2.29 -1.71 0.00 0.00 0.00 179.25 178.84 2hmu n ASN 81 N -4.48 3.62 -0.09 0.00 2.85 -1.26 -4.73 115.26 111.17 2hmu n ASN 81 Ca 0.26 -2.79 0.07 0.00 -0.11 0.00 0.00 54.58 52.01 2hmu n ASN 81 Cb 1.05 -1.55 0.42 0.00 1.24 0.00 0.00 39.78 40.94 2hmu n ASN 81 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2hmu h ILE 82 N 4.93 1.02 -0.36 -1.44 2.04 -1.94 -2.22 117.51 119.53 2hmu h ILE 82 Ca 0.43 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 66.06 2hmu h ILE 82 Cb 0.76 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2hmu h ILE 82 CO 1.68 0.11 0.12 1.56 0.00 0.00 0.00 178.15 181.62 2hmu h GLN 83 N 0.59 0.56 -0.61 2.37 4.20 -1.93 -1.80 115.11 118.49 2hmu h GLN 83 Ca 0.25 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2hmu h GLN 83 Cb 0.23 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2hmu h GLN 83 CO -0.07 0.57 0.35 0.00 -0.67 0.00 0.00 178.83 179.00 2hmu h ALA 84 N 0.96 0.78 -0.24 3.87 0.00 -1.84 -0.67 119.26 122.12 2hmu h ALA 84 Ca 0.12 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2hmu h ALA 84 Cb 0.24 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2hmu h ALA 84 CO -0.01 0.29 -0.08 1.03 0.00 0.00 0.00 179.25 180.48 2hmu h SER 85 N 0.83 -0.28 0.96 0.00 0.87 -1.17 0.40 113.55 115.16 2hmu h SER 85 Ca 0.22 0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.71 2hmu h SER 85 Cb 0.02 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2hmu h SER 85 CO -0.04 -0.10 -0.70 0.71 -0.53 0.00 0.00 176.83 176.17 2hmu h THR 86 N -0.03 1.35 -0.27 2.23 1.35 -1.13 -2.06 112.91 114.35 2hmu h THR 86 Ca 0.12 -2.54 -0.12 0.00 -0.55 0.00 0.00 66.41 63.32 2hmu h THR 86 Cb 0.21 2.43 -0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2hmu h THR 86 CO -0.26 0.69 -0.28 0.25 -0.25 0.00 0.00 175.52 175.67 2hmu h LEU 87 N 0.00 0.72 -0.52 3.87 5.85 -0.75 -1.73 115.31 122.75 2hmu h LEU 87 Ca -0.01 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.25 2hmu h LEU 87 Cb 1.37 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 2hmu h LEU 87 CO 0.09 1.05 0.34 0.74 -0.34 0.00 0.00 178.44 180.32 2hmu h THR 88 N 0.41 1.12 -0.02 1.05 2.02 -0.14 -0.87 112.91 116.48 2hmu h THR 88 Ca 0.04 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 2hmu h THR 88 Cb 0.85 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2hmu h THR 88 CO 0.07 0.13 -0.52 0.71 0.37 0.00 0.00 175.52 176.27 2hmu h THR 89 N 0.69 1.37 -0.78 3.16 1.35 -1.34 -1.48 112.91 115.88 2hmu h THR 89 Ca 0.19 -1.79 -0.02 0.00 -0.55 0.00 0.00 66.41 64.24 2hmu h THR 89 Cb -0.07 1.94 -0.04 0.00 -1.73 0.00 0.00 68.15 68.25 2hmu h THR 89 CO -0.05 0.52 0.41 0.25 -0.25 0.00 0.00 175.52 176.39 2hmu h LEU 90 N 0.05 1.00 -0.32 3.87 5.85 -0.72 -0.93 115.31 124.11 2hmu h LEU 90 Ca -0.00 -0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.42 2hmu h LEU 90 Cb 0.94 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2hmu h LEU 90 CO 0.07 0.83 -0.58 -0.07 -0.34 0.00 0.00 178.44 178.35 2hmu h LEU 91 N 1.10 0.90 -1.38 2.25 3.38 -0.83 -2.68 115.31 118.06 2hmu h LEU 91 Ca 0.27 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 2hmu h LEU 91 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2hmu h LEU 91 CO -0.04 1.28 -0.30 -0.07 0.09 0.00 0.00 178.44 179.40 2hmu h LEU 92 N 0.61 0.02 -0.87 1.67 3.38 -1.01 -1.76 115.31 117.35 2hmu h LEU 92 Ca 0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2hmu h LEU 92 Cb 1.18 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2hmu h LEU 92 CO 0.12 0.32 -0.47 0.50 0.09 0.00 0.00 178.44 179.01 2hmu h LYS 93 N 0.02 0.00 0.00 1.13 1.63 -1.02 -2.58 116.57 115.74 2hmu h LYS 93 Ca 0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 2hmu h LYS 93 Cb 0.54 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2hmu h LYS 93 CO 0.04 0.47 -0.65 0.93 -3.45 0.00 0.00 179.45 176.79 2hmu h GLU 94 N 0.00 0.00 -0.07 1.90 5.08 -0.99 -2.63 114.58 117.86 2hmu h GLU 94 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hmu h GLU 94 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2hmu h GLU 94 CO 0.06 0.65 0.00 1.28 -1.00 0.00 0.00 179.01 180.00 2hmu n LEU 95 N -3.54 1.15 -3.13 1.33 4.77 -0.96 -4.94 117.00 111.69 2hmu n LEU 95 Ca -0.00 -0.44 -0.23 0.00 -0.03 0.00 0.00 56.01 55.31 2hmu n LEU 95 Cb 0.69 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.77 2hmu n LEU 95 CO 0.42 0.22 0.00 0.47 -1.33 0.00 0.00 177.39 177.17 2hmu n ASP 96 N -0.06 -5.65 -4.66 -1.43 9.92 -0.99 -4.93 116.55 108.75 2hmu n ASP 96 Ca 0.18 -0.32 -0.46 0.00 -0.53 0.00 0.00 54.79 53.65 2hmu n ASP 96 Cb 0.27 -4.57 -0.04 0.00 -0.64 0.00 0.00 41.12 36.14 2hmu n ASP 96 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2hmu n ILE 97 N -4.43 0.38 -0.08 0.53 2.08 -1.00 -4.88 119.36 111.96 2hmu n ILE 97 Ca -0.09 -0.09 -0.06 0.00 0.56 0.00 0.00 62.75 63.06 2hmu n ILE 97 Cb 0.60 -1.47 -0.00 0.00 -0.75 0.00 0.00 39.64 38.02 2hmu n ILE 97 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2hmu h PRO 98 N 5.16 -0.10 -3.85 0.38 0.11 -1.77 -3.41 132.00 128.52 2hmu h PRO 98 Ca -0.45 0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.20 2hmu h PRO 98 Cb 1.27 0.02 -0.38 0.00 0.11 0.00 0.00 31.00 32.02 2hmu h PRO 98 CO 0.83 -0.06 -0.78 -0.80 -0.21 0.00 0.00 178.00 176.98 2hmu s ASN 99 N -5.14 1.87 -0.19 -2.05 -0.87 -0.46 -5.03 114.94 103.07 2hmu s ASN 99 Ca -0.14 -0.21 0.01 0.00 -1.57 0.00 0.00 52.86 50.95 2hmu s ASN 99 Cb 0.13 -0.58 0.04 0.00 -0.02 0.00 0.00 41.25 40.82 2hmu s ASN 99 CO 0.70 -0.18 -0.13 -0.51 -2.57 0.00 0.00 177.10 174.41 2hmu s ILE 100 N 1.88 1.72 -0.12 0.60 -1.16 -1.26 -1.43 121.20 121.42 2hmu s ILE 100 Ca 0.05 -0.94 -0.04 0.00 -0.51 0.00 0.00 60.65 59.21 2hmu s ILE 100 Cb -0.13 -1.71 -0.03 0.00 0.61 0.00 0.00 42.46 41.20 2hmu s ILE 100 CO -0.06 0.28 0.02 0.26 -2.81 0.00 0.00 174.94 172.63 2hmu s TRP 101 N 1.39 3.20 -0.01 3.50 0.52 -0.81 -0.46 118.94 126.26 2hmu s TRP 101 Ca 0.01 0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.29 2hmu s TRP 101 Cb -0.15 -1.89 -0.01 0.00 -1.15 0.00 0.00 33.47 30.27 2hmu s TRP 101 CO -0.09 0.34 -0.14 0.08 0.02 0.00 0.00 176.95 177.16 2hmu s VAL 102 N -0.43 1.13 -0.16 4.03 1.01 -0.24 -0.65 120.40 125.09 2hmu s VAL 102 Ca 0.08 -0.61 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 2hmu s VAL 102 Cb -0.12 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2hmu s VAL 102 CO 0.02 0.32 0.97 -0.75 0.00 0.00 0.00 175.10 175.66 2hmu s LYS 103 N -0.32 4.34 -0.13 2.72 2.20 -0.63 -0.19 119.74 127.73 2hmu s LYS 103 Ca 0.05 1.28 -0.19 0.00 -0.36 0.00 0.00 55.97 56.75 2hmu s LYS 103 Cb -0.06 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 2hmu s LYS 103 CO -0.00 -0.40 0.53 0.00 -0.36 0.00 0.00 175.35 175.11 2hmu s ALA 104 N 2.36 3.47 0.11 3.13 0.00 0.67 -4.87 121.76 126.64 2hmu s ALA 104 Ca 0.44 -0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.14 2hmu s ALA 104 Cb -0.17 -2.74 -0.14 0.00 0.00 0.00 0.00 23.12 20.06 2hmu s ALA 104 CO 0.13 -0.14 1.26 0.37 0.00 0.00 0.00 175.76 177.38 2hmu h GLN 105 N 6.93 0.49 0.00 0.00 5.75 -1.91 -3.44 115.11 122.93 2hmu h GLN 105 Ca -0.39 -0.54 0.02 0.00 -0.15 0.00 0.00 58.65 57.59 2hmu h GLN 105 Cb 1.17 0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.88 2hmu h GLN 105 CO 0.75 1.18 0.22 0.27 -2.65 0.00 0.00 178.83 178.60 2hmu n ASN 106 N -3.77 -1.25 -0.06 -0.69 0.23 -1.26 -5.03 115.26 103.43 2hmu n ASN 106 Ca -0.08 -1.81 -0.08 0.00 -0.53 0.00 0.00 54.58 52.08 2hmu n ASN 106 Cb 0.86 2.07 -0.02 0.00 -2.08 0.00 0.00 39.78 40.62 2hmu n ASN 106 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2hmu h TYR 107 N 1.58 -0.06 -0.82 -2.53 3.20 -2.00 -0.36 116.97 115.99 2hmu h TYR 107 Ca -0.19 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 2hmu h TYR 107 Cb 0.72 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 2hmu h TYR 107 CO 0.00 -0.06 0.37 1.88 -1.64 0.00 0.00 178.16 178.70 2hmu h TYR 108 N 0.04 1.21 -0.55 -3.82 0.05 -1.99 -1.98 116.97 109.93 2hmu h TYR 108 Ca 0.11 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.83 2hmu h TYR 108 Cb 0.16 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 2hmu h TYR 108 CO -0.21 0.89 0.36 1.25 -1.05 0.00 0.00 178.16 179.40 2hmu h HIS 109 N 1.18 0.69 -0.14 4.88 2.76 -1.80 0.18 115.15 122.90 2hmu h HIS 109 Ca 0.28 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 2hmu h HIS 109 Cb 0.16 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 2hmu h HIS 109 CO 0.02 0.43 0.08 1.25 -1.30 0.00 0.00 177.93 178.41 2hmu h HIS 110 N 0.74 0.15 -0.88 5.26 -0.00 -0.82 0.20 115.15 119.80 2hmu h HIS 110 Ca 0.20 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.62 2hmu h HIS 110 Cb -0.09 -0.05 -0.06 0.00 -0.00 0.00 0.00 27.41 27.22 2hmu h HIS 110 CO -0.04 0.09 0.56 0.87 -0.00 0.00 0.00 177.93 179.41 2hmu h LYS 111 N 0.17 1.02 -0.14 5.26 1.57 -0.76 0.24 116.57 123.93 2hmu h LYS 111 Ca 0.05 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2hmu h LYS 111 Cb -0.01 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 2hmu h LYS 111 CO -0.02 0.67 -0.09 -0.39 -0.57 0.00 0.00 179.45 179.05 2hmu h VAL 112 N 1.05 1.33 -0.77 0.50 -1.51 -0.67 -2.92 116.25 113.26 2hmu h VAL 112 Ca 0.37 -1.18 0.10 0.00 -1.23 0.00 0.00 66.70 64.75 2hmu h VAL 112 Cb 0.09 1.81 -0.07 0.00 -2.13 0.00 0.00 31.29 30.98 2hmu h VAL 112 CO -0.14 0.34 0.42 -0.07 -1.23 0.00 0.00 177.57 176.89 2hmu h LEU 113 N -0.05 0.58 -0.44 4.19 3.38 -0.32 0.28 115.31 122.93 2hmu h LEU 113 Ca 0.03 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2hmu h LEU 113 Cb 0.58 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2hmu h LEU 113 CO 0.03 0.33 0.17 -0.08 0.09 0.00 0.00 178.44 178.97 2hmu h GLU 114 N 0.70 0.33 0.00 1.13 4.57 -0.52 -2.08 114.58 118.71 2hmu h GLU 114 Ca 0.38 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 2hmu h GLU 114 Cb 0.38 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2hmu h GLU 114 CO -0.26 0.22 -0.03 1.63 -1.18 0.00 0.00 179.01 179.39 2hmu n LYS 115 N -4.99 0.01 -0.01 1.92 5.02 -0.60 -3.78 118.16 115.72 2hmu n LYS 115 Ca 0.03 0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.25 2hmu n LYS 115 Cb 0.16 -1.51 -0.14 0.00 -0.02 0.00 0.00 35.03 33.52 2hmu n LYS 115 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2hmu h ILE 116 N 0.00 0.95 0.00 -0.18 1.08 -0.30 -3.49 117.51 115.58 2hmu h ILE 116 Ca 0.00 -2.79 0.00 0.00 -0.39 0.00 0.00 64.86 61.68 2hmu h ILE 116 Cb 0.51 2.47 0.00 0.00 -3.07 0.00 0.00 36.82 36.73 2hmu h ILE 116 CO 0.00 0.54 0.00 0.61 -0.69 0.00 0.00 178.15 178.61 2hmu n GLY 117 N 1.53 0.25 3.72 5.37 0.00 -1.01 -4.89 105.19 110.16 2hmu n GLY 117 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2hmu n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hmu s ALA 118 N -1.07 3.62 0.13 4.61 0.00 -1.02 -4.84 121.76 123.19 2hmu s ALA 118 Ca 0.00 1.16 -0.03 0.00 0.00 0.00 0.00 51.96 53.10 2hmu s ALA 118 Cb 0.00 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.46 2hmu s ALA 118 CO 0.00 -0.64 1.29 -0.44 0.00 0.00 0.00 175.76 175.97 2hmu h ASP 119 N 6.66 0.44 -3.60 0.00 3.32 -1.12 -3.45 116.42 118.68 2hmu h ASP 119 Ca -0.42 -0.38 -0.26 0.00 0.02 0.00 0.00 57.03 55.98 2hmu h ASP 119 Cb 1.21 -0.14 -0.31 0.00 0.22 0.00 0.00 39.33 40.31 2hmu h ASP 119 CO 0.86 1.20 -0.70 -0.60 -1.72 0.00 0.00 179.24 178.28 2hmu s ARG 120 N -3.13 -0.00 -0.19 3.56 3.52 -1.22 -5.03 118.95 116.45 2hmu s ARG 120 Ca -0.05 0.14 -0.05 0.00 -0.13 0.00 0.00 55.73 55.65 2hmu s ARG 120 Cb 0.09 -0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.31 2hmu s ARG 120 CO 0.86 -0.10 -0.00 0.42 -0.81 0.00 0.00 175.30 175.67 2hmu s ILE 121 N 0.66 4.02 -0.14 4.11 -1.09 -1.26 -1.08 121.20 126.42 2hmu s ILE 121 Ca -0.05 -0.30 -0.03 0.00 -2.23 0.00 0.00 60.65 58.04 2hmu s ILE 121 Cb -0.08 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.97 2hmu s ILE 121 CO -0.02 0.44 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.48 2hmu s ILE 122 N 0.83 4.06 -0.49 2.92 1.01 0.73 -4.91 121.20 125.36 2hmu s ILE 122 Ca 0.01 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2hmu s ILE 122 Cb -0.14 -2.76 0.13 0.00 0.01 0.00 0.00 42.46 39.70 2hmu s ILE 122 CO 0.02 0.52 0.25 -1.00 0.00 0.00 0.00 174.94 174.73 2hmu s HIS 123 N 0.04 2.73 0.16 3.97 3.76 -1.26 -0.23 115.29 124.45 2hmu s HIS 123 Ca 0.01 -2.89 -0.30 0.00 -0.15 0.00 0.00 55.06 51.74 2hmu s HIS 123 Cb -0.13 -2.47 -0.04 0.00 1.11 0.00 0.00 32.58 31.05 2hmu s HIS 123 CO 0.02 -0.76 1.55 -1.35 -0.85 0.00 0.00 174.74 173.35 2hmu h PRO 124 N 6.61 -0.19 0.28 8.40 0.11 -1.97 0.27 132.00 145.50 2hmu h PRO 124 Ca -0.05 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.07 2hmu h PRO 124 Cb 0.91 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 2hmu h PRO 124 CO 0.61 -0.13 -0.38 0.93 -0.21 0.00 0.00 178.00 178.82 2hmu h GLU 125 N -0.20 -0.69 0.05 1.05 3.07 -1.97 0.18 114.58 116.07 2hmu h GLU 125 Ca 0.15 0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2hmu h GLU 125 Cb 0.53 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 2hmu h GLU 125 CO -0.76 -0.46 -0.03 0.87 -1.40 0.00 0.00 179.01 177.24 2hmu h LYS 126 N -0.71 -0.07 -0.77 2.33 1.57 -1.93 -1.90 116.57 115.09 2hmu h LYS 126 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2hmu h LYS 126 Cb 0.67 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 2hmu h LYS 126 CO -0.12 0.11 0.46 -0.44 -0.57 0.00 0.00 179.45 178.89 2hmu h ASP 127 N -0.24 0.93 0.29 0.86 3.32 -0.45 -0.52 116.42 120.60 2hmu h ASP 127 Ca -0.01 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 2hmu h ASP 127 Cb 0.22 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2hmu h ASP 127 CO 0.01 0.72 -0.24 -0.03 -1.72 0.00 0.00 179.24 177.99 2hmu h MET 128 N 1.05 0.00 -0.50 3.56 4.05 -0.61 -2.06 114.93 120.42 2hmu h MET 128 Ca 0.27 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.66 2hmu h MET 128 Cb -0.03 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 2hmu h MET 128 CO -0.05 0.24 0.17 0.78 0.23 0.00 0.00 176.91 178.28 2hmu h GLY 129 N 0.81 0.83 1.80 1.39 0.00 -0.27 -0.78 103.07 106.85 2hmu h GLY 129 Ca -0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 2hmu h GLY 129 CO 0.03 0.45 -0.58 -0.39 0.00 0.00 0.00 176.54 176.05 2hmu h VAL 130 N 0.68 1.38 -0.46 4.60 -1.51 -0.96 -2.20 116.25 117.78 2hmu h VAL 130 Ca 0.16 -1.94 0.03 0.00 -1.23 0.00 0.00 66.70 63.72 2hmu h VAL 130 Cb 0.25 1.98 -0.03 0.00 -2.13 0.00 0.00 31.29 31.35 2hmu h VAL 130 CO -0.01 0.57 0.25 0.11 -1.23 0.00 0.00 177.57 177.26 2hmu h LYS 131 N 0.16 0.48 -0.25 5.19 6.56 -0.95 -0.01 116.57 127.76 2hmu h LYS 131 Ca -0.00 -0.03 -0.08 0.00 -1.06 0.00 0.00 60.65 59.47 2hmu h LYS 131 Cb 1.07 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.60 2hmu h LYS 131 CO 0.09 0.32 -0.21 0.82 -2.06 0.00 0.00 179.45 178.41 2hmu h ILE 132 N 0.50 1.25 -0.34 1.86 5.03 -0.95 0.20 117.51 125.06 2hmu h ILE 132 Ca 0.19 -1.16 -0.04 0.00 -0.12 0.00 0.00 64.86 63.73 2hmu h ILE 132 Cb 0.06 1.29 -0.01 0.00 -3.03 0.00 0.00 36.82 35.13 2hmu h ILE 132 CO -0.11 0.37 0.04 0.00 -0.68 0.00 0.00 178.15 177.77 2hmu h ALA 133 N 1.38 0.45 -0.03 1.87 0.00 -0.74 0.26 119.26 122.45 2hmu h ALA 133 Ca 0.07 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2hmu h ALA 133 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2hmu h ALA 133 CO 0.04 0.17 -0.46 1.96 0.00 0.00 0.00 179.25 180.96 2hmu h GLN 134 N 0.39 0.08 -0.01 0.00 4.20 -0.71 -1.88 115.11 117.19 2hmu h GLN 134 Ca 0.10 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 2hmu h GLN 134 Cb 0.38 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2hmu h GLN 134 CO 0.01 0.52 -0.58 1.03 -0.67 0.00 0.00 178.83 179.15 2hmu h SER 135 N 0.07 0.02 -0.24 1.46 0.87 -0.18 -2.33 113.55 113.22 2hmu h SER 135 Ca 0.00 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 2hmu h SER 135 Cb 0.84 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2hmu h SER 135 CO 0.06 0.60 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.62 2hmu h LEU 136 N 0.02 0.65 0.04 2.23 3.38 0.25 -3.24 115.31 118.64 2hmu h LEU 136 Ca -0.01 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2hmu h LEU 136 Cb 1.03 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2hmu h LEU 136 CO 0.08 1.01 -0.02 0.28 0.09 0.00 0.00 178.44 179.88 2hmu h SER 137 N 0.31 -0.05 0.00 -0.43 0.02 -1.28 -2.58 113.55 109.55 2hmu h SER 137 Ca 0.03 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2hmu h SER 137 Cb 0.84 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2hmu h SER 137 CO 0.07 -0.01 0.60 0.44 -1.14 0.00 0.00 176.83 176.79 2hmu h ASP 138 N -0.08 0.00 -0.13 3.07 5.19 -1.44 -0.69 116.42 122.34 2hmu h ASP 138 Ca -0.01 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.44 2hmu h ASP 138 Cb 0.07 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2hmu h ASP 138 CO 0.01 0.00 0.13 -0.08 -3.12 0.00 0.00 179.24 176.18 2hmu h GLU 139 N 0.00 0.00 -0.06 3.56 4.22 -1.55 -2.00 114.58 118.76 2hmu h GLU 139 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2hmu h GLU 139 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2hmu h GLU 139 CO 0.00 0.00 0.00 -1.71 -2.18 0.00 0.00 179.01 175.12 2hmu n ASN 140 N -4.02 2.33 -0.16 1.04 4.05 -0.26 -5.18 115.26 113.05 2hmu n ASN 140 Ca 0.00 -2.39 0.15 0.00 0.45 0.00 0.00 54.58 52.80 2hmu n ASN 140 Cb 0.24 -0.19 0.80 0.00 1.23 0.00 0.00 39.78 41.87 2hmu n ASN 140 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73