#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mnj s LEU 2 N 0.00 3.71 0.85 0.99 1.02 -1.26 -5.12 118.68 118.87 1mnj s LEU 2 Ca 0.00 -0.13 -0.12 0.00 0.02 0.00 0.00 54.13 53.90 1mnj s LEU 2 Cb 0.00 -2.36 0.10 0.00 0.02 0.00 0.00 46.19 43.96 1mnj s LEU 2 CO 0.00 0.11 1.12 -0.94 0.02 0.00 0.00 176.35 176.66 1mnj s SER 3 N -2.79 3.99 0.43 2.29 1.04 -1.26 -4.85 113.70 112.56 1mnj s SER 3 Ca 0.29 1.14 0.09 0.00 0.48 0.00 0.00 55.95 57.95 1mnj s SER 3 Cb -0.11 -1.79 0.95 0.00 0.10 0.00 0.00 66.02 65.18 1mnj s SER 3 CO 0.22 -2.27 2.07 0.44 0.98 0.00 0.00 173.24 174.69 1mnj h ASP 4 N -1.30 0.37 -0.51 7.02 3.32 -2.00 -1.03 116.42 122.29 1mnj h ASP 4 Ca -0.49 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.44 1mnj h ASP 4 Cb 1.30 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1mnj h ASP 4 CO 0.61 0.26 -0.10 1.23 -1.72 0.00 0.00 179.24 179.52 1mnj h GLY 5 N 0.43 1.07 0.94 2.75 0.00 -2.00 -1.95 103.07 104.32 1mnj h GLY 5 Ca 0.13 -0.85 -0.15 0.00 0.00 0.00 0.00 47.33 46.45 1mnj h GLY 5 CO -0.03 0.78 -0.51 0.83 0.00 0.00 0.00 176.54 177.62 1mnj h GLU 6 N 0.89 0.59 -0.79 4.80 5.08 -1.68 -2.59 114.58 120.87 1mnj h GLU 6 Ca 0.14 -0.45 0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1mnj h GLU 6 Cb 0.66 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1mnj h GLU 6 CO 0.05 1.07 0.52 -1.49 -1.00 0.00 0.00 179.01 178.16 1mnj h TRP 7 N 0.24 0.87 0.05 4.33 -0.00 -1.17 -1.55 115.95 118.70 1mnj h TRP 7 Ca -0.02 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.90 1mnj h TRP 7 Cb 1.14 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 30.00 1mnj h TRP 7 CO 0.10 0.45 -0.08 1.96 -0.00 0.00 0.00 178.44 180.87 1mnj h GLN 8 N 0.85 -0.16 -0.98 0.49 7.50 -1.17 0.41 115.11 122.05 1mnj h GLN 8 Ca 0.34 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.52 1mnj h GLN 8 Cb 0.25 0.04 -0.05 0.00 0.05 0.00 0.00 27.48 27.77 1mnj h GLN 8 CO -0.12 -0.11 0.65 -0.07 -1.50 0.00 0.00 178.83 177.68 1mnj h LEU 9 N -0.17 1.12 0.04 1.46 3.38 -0.92 0.88 115.31 121.09 1mnj h LEU 9 Ca 0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1mnj h LEU 9 Cb 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1mnj h LEU 9 CO -0.05 0.81 -0.02 0.58 0.09 0.00 0.00 178.44 179.85 1mnj h VAL 10 N 1.32 1.06 0.00 1.22 2.07 -0.97 -0.83 116.25 120.12 1mnj h VAL 10 Ca 0.36 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 1mnj h VAL 10 Cb -0.15 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1mnj h VAL 10 CO -0.08 0.08 -0.32 -0.07 0.02 0.00 0.00 177.57 177.20 1mnj h LEU 11 N -0.19 0.00 -0.11 2.57 3.38 -0.57 -1.49 115.31 118.90 1mnj h LEU 11 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1mnj h LEU 11 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1mnj h LEU 11 CO 0.01 0.32 -0.15 0.78 0.09 0.00 0.00 178.44 179.49 1mnj h ASN 12 N 0.00 0.31 -0.90 -0.43 -0.26 -0.43 -2.50 115.58 111.37 1mnj h ASN 12 Ca -0.00 -0.52 -0.01 0.00 -0.56 0.00 0.00 56.30 55.21 1mnj h ASN 12 Cb 0.69 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.82 1mnj h ASN 12 CO 0.04 0.77 0.53 0.58 -1.06 0.00 0.00 177.43 178.29 1mnj h VAL 13 N -0.14 1.25 -0.04 2.81 2.07 -0.92 -2.68 116.25 118.60 1mnj h VAL 13 Ca 0.01 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1mnj h VAL 13 Cb 0.70 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1mnj h VAL 13 CO 0.03 0.27 -0.09 -0.25 0.02 0.00 0.00 177.57 177.55 1mnj h TRP 14 N 1.24 0.06 -0.18 1.57 2.91 -1.22 -1.02 115.95 119.32 1mnj h TRP 14 Ca 0.32 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.35 1mnj h TRP 14 Cb -0.04 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 1mnj h TRP 14 CO 0.01 0.16 0.12 0.78 -1.03 0.00 0.00 178.44 178.48 1mnj h GLY 15 N 0.40 0.22 1.20 2.65 0.00 -1.08 -0.86 103.07 105.60 1mnj h GLY 15 Ca 0.01 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.08 1mnj h GLY 15 CO 0.01 0.08 -0.55 0.50 0.00 0.00 0.00 176.54 176.58 1mnj h LYS 16 N 0.21 0.84 -0.51 4.80 1.79 -1.31 -2.89 116.57 119.50 1mnj h LYS 16 Ca 0.07 -0.53 -0.09 0.00 -2.18 0.00 0.00 60.65 57.92 1mnj h LYS 16 Cb 0.03 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1mnj h LYS 16 CO -0.01 1.16 -0.05 0.28 -1.08 0.00 0.00 179.45 179.75 1mnj h VAL 17 N 0.64 1.26 0.00 0.50 2.07 -1.19 -3.14 116.25 116.39 1mnj h VAL 17 Ca 0.01 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1mnj h VAL 17 Cb 1.15 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1mnj h VAL 17 CO 0.12 0.40 0.00 -0.33 0.02 0.00 0.00 177.57 177.78 1mnj h GLU 18 N 0.82 0.00 0.00 1.57 5.08 -1.08 -0.40 114.58 120.57 1mnj h GLU 18 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1mnj h GLU 18 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1mnj h GLU 18 CO 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1mnj n ALA 19 N -2.04 2.16 -2.73 3.43 0.00 -1.11 -4.29 120.51 115.93 1mnj n ALA 19 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 1mnj n ALA 19 Cb 0.19 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.27 1mnj n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mnj n ASP 20 N -1.59 -2.63 -0.08 0.00 2.03 -0.23 -5.06 116.55 109.00 1mnj n ASP 20 Ca 0.06 -2.85 -0.12 0.00 0.52 0.00 0.00 54.79 52.40 1mnj n ASP 20 Cb 0.31 1.56 -0.05 0.00 -0.72 0.00 0.00 41.12 42.22 1mnj n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mnj h VAL 21 N 2.98 1.31 -0.26 5.18 2.07 -1.56 -2.75 116.25 123.21 1mnj h VAL 21 Ca -0.13 -1.18 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 1mnj h VAL 21 Cb 1.08 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1mnj h VAL 21 CO 0.16 0.36 -0.13 0.00 0.02 0.00 0.00 177.57 177.98 1mnj h ALA 22 N 0.71 1.31 -0.33 1.67 0.00 -1.89 -1.61 119.26 119.11 1mnj h ALA 22 Ca 0.05 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1mnj h ALA 22 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1mnj h ALA 22 CO 0.03 0.46 -0.06 0.78 0.00 0.00 0.00 179.25 180.46 1mnj h GLY 23 N 0.89 0.67 1.20 0.00 0.00 -1.90 -0.19 103.07 103.75 1mnj h GLY 23 Ca 0.08 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.71 1mnj h GLY 23 CO 0.03 0.50 -0.36 0.45 0.00 0.00 0.00 176.54 177.15 1mnj h HIS 24 N 0.41 1.05 0.14 5.60 3.86 -1.33 -2.70 115.15 122.17 1mnj h HIS 24 Ca 0.09 -0.30 0.02 0.00 -1.16 0.00 0.00 60.37 59.01 1mnj h HIS 24 Cb 0.55 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 1mnj h HIS 24 CO 0.05 1.11 -0.36 0.78 0.86 0.00 0.00 177.93 180.37 1mnj h GLY 25 N 0.84 -0.71 0.98 2.45 0.00 -1.11 -0.99 103.07 104.53 1mnj h GLY 25 Ca 0.07 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 1mnj h GLY 25 CO 0.09 -0.26 -0.12 -1.61 0.00 0.00 0.00 176.54 174.64 1mnj h GLN 26 N -0.60 -0.33 -0.83 4.80 4.15 -1.10 0.84 115.11 122.05 1mnj h GLN 26 Ca 0.02 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.55 1mnj h GLN 26 Cb 0.62 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.33 1mnj h GLN 26 CO -0.20 -0.20 0.54 0.93 -1.93 0.00 0.00 178.83 177.97 1mnj h GLU 27 N -0.37 0.80 0.09 1.69 4.39 -1.30 -0.55 114.58 119.33 1mnj h GLU 27 Ca -0.03 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1mnj h GLU 27 Cb 0.28 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1mnj h GLU 27 CO 0.06 0.53 -0.04 0.28 -1.16 0.00 0.00 179.01 178.68 1mnj h VAL 28 N 0.83 1.07 -0.60 3.13 2.07 -0.80 -1.01 116.25 120.92 1mnj h VAL 28 Ca 0.38 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1mnj h VAL 28 Cb 0.37 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1mnj h VAL 28 CO -0.15 0.14 0.18 -0.07 0.02 0.00 0.00 177.57 177.70 1mnj h LEU 29 N -0.38 0.88 -1.12 2.57 3.38 -0.36 -1.67 115.31 118.61 1mnj h LEU 29 Ca -0.01 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1mnj h LEU 29 Cb 0.32 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1mnj h LEU 29 CO 0.02 0.86 0.60 0.40 0.09 0.00 0.00 178.44 180.40 1mnj h ILE 30 N 0.86 1.17 -0.55 1.22 2.04 -1.03 -0.81 117.51 120.41 1mnj h ILE 30 Ca 0.19 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 1mnj h ILE 30 Cb 0.30 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1mnj h ILE 30 CO -0.01 0.21 -0.10 0.03 0.00 0.00 0.00 178.15 178.28 1mnj h ARG 31 N 1.15 1.03 -0.29 2.37 2.47 -0.92 0.98 114.38 121.17 1mnj h ARG 31 Ca 0.35 -0.38 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 1mnj h ARG 31 Cb -0.01 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 1mnj h ARG 31 CO -0.10 1.07 0.08 1.25 0.56 0.00 0.00 179.97 182.83 1mnj h LEU 32 N 0.92 0.43 -0.84 3.04 5.85 -0.79 -0.49 115.31 123.42 1mnj h LEU 32 Ca 0.14 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1mnj h LEU 32 Cb 0.67 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1mnj h LEU 32 CO 0.05 0.54 -0.21 -0.26 -0.34 0.00 0.00 178.44 178.22 1mnj h PHE 33 N 0.30 0.71 -0.06 1.25 0.04 -1.04 0.40 116.94 118.55 1mnj h PHE 33 Ca 0.09 -0.15 -0.23 0.00 2.80 0.00 0.00 57.97 60.49 1mnj h PHE 33 Cb 0.27 -0.18 0.02 0.00 2.20 0.00 0.00 35.95 38.26 1mnj h PHE 33 CO 0.01 0.79 -0.85 0.87 -0.60 0.00 0.00 178.31 178.53 1mnj h LYS 34 N 0.56 0.68 0.00 1.51 1.57 -0.67 -2.89 116.57 117.33 1mnj h LYS 34 Ca 0.09 -0.65 -0.15 0.00 -1.87 0.00 0.00 60.65 58.07 1mnj h LYS 34 Cb 0.66 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1mnj h LYS 34 CO 0.05 1.25 -0.70 0.78 -0.57 0.00 0.00 179.45 180.27 1mnj h GLY 35 N 0.35 0.00 -5.61 3.86 0.00 -0.89 -3.41 103.07 97.38 1mnj h GLY 35 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.88 1mnj h GLY 35 CO 0.17 0.00 -0.73 1.42 0.00 0.00 0.00 176.54 177.40 1mnj n HIS 36 N -3.29 -2.37 0.11 5.60 8.25 0.14 -5.00 115.22 118.66 1mnj n HIS 36 Ca 0.01 -2.34 0.12 0.00 -0.26 0.00 0.00 57.72 55.24 1mnj n HIS 36 Cb 0.81 0.86 0.61 0.00 1.12 0.00 0.00 29.99 33.39 1mnj n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mnj h PRO 37 N 5.02 0.11 0.00 -0.41 0.13 -1.66 0.10 132.00 135.30 1mnj h PRO 37 Ca 0.12 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1mnj h PRO 37 Cb 1.00 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1mnj h PRO 37 CO 0.22 0.08 -0.05 1.05 -0.23 0.00 0.00 178.00 179.07 1mnj h GLU 38 N 0.12 0.00 0.00 0.86 9.09 -1.92 -0.00 114.58 122.73 1mnj h GLU 38 Ca 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.52 1mnj h GLU 38 Cb 0.36 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.45 1mnj h GLU 38 CO -0.02 0.05 -0.07 1.79 0.05 0.00 0.00 179.01 180.81 1mnj h THR 39 N 0.00 0.20 -0.93 -1.06 1.35 -1.12 -3.08 112.91 108.26 1mnj h THR 39 Ca -0.00 -0.70 0.09 0.00 -0.55 0.00 0.00 66.41 65.26 1mnj h THR 39 Cb 0.19 1.58 -0.07 0.00 -1.73 0.00 0.00 68.15 68.12 1mnj h THR 39 CO 0.01 0.07 0.60 0.25 -0.25 0.00 0.00 175.52 176.20 1mnj h LEU 40 N 0.00 0.88 -1.74 3.87 5.85 -1.12 -1.66 115.31 121.38 1mnj h LEU 40 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1mnj h LEU 40 Cb 0.57 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1mnj h LEU 40 CO 0.01 0.52 0.00 -0.33 -0.34 0.00 0.00 178.44 178.30 1mnj h GLU 41 N 0.97 0.00 -0.00 1.25 5.08 -1.67 -0.49 114.58 119.72 1mnj h GLU 41 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1mnj h GLU 41 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1mnj h GLU 41 CO -0.19 0.00 -0.08 1.63 -1.00 0.00 0.00 179.01 179.37 1mnj n LYS 42 N -2.47 0.35 -3.63 2.33 4.76 -0.63 -4.53 118.16 114.35 1mnj n LYS 42 Ca -0.01 -0.07 -0.39 0.00 -2.87 0.00 0.00 58.31 54.97 1mnj n LYS 42 Cb 0.07 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.67 1mnj n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mnj s PHE 43 N -2.70 3.49 0.11 2.13 0.08 -0.19 -4.94 117.98 115.96 1mnj s PHE 43 Ca 0.23 -2.14 -0.23 0.00 0.12 0.00 0.00 56.93 54.91 1mnj s PHE 43 Cb 0.20 -3.40 -0.08 0.00 -0.57 0.00 0.00 43.02 39.16 1mnj s PHE 43 CO 0.51 -0.97 1.69 -0.44 -0.10 0.00 0.00 175.22 175.91 1mnj h ASP 44 N 8.12 -0.31 0.00 1.36 3.32 -1.81 0.20 116.42 127.30 1mnj h ASP 44 Ca -0.15 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1mnj h ASP 44 Cb 1.05 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1mnj h ASP 44 CO 0.79 -0.15 0.24 1.17 -1.72 0.00 0.00 179.24 179.57 1mnj n LYS 45 N -5.24 0.10 -0.01 3.56 4.81 -1.26 -2.42 118.16 117.70 1mnj n LYS 45 Ca -0.05 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1mnj n LYS 45 Cb 0.16 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1mnj n LYS 45 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1mnj n PHE 46 N -2.11 0.00 0.27 5.64 3.72 0.56 -4.86 117.46 120.68 1mnj n PHE 46 Ca -0.01 -0.28 0.12 0.00 -0.05 0.00 0.00 57.45 57.24 1mnj n PHE 46 Cb 0.26 -0.03 0.76 0.00 -0.94 0.00 0.00 39.48 39.53 1mnj n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1mnj h LYS 47 N 0.00 0.00 0.00 -1.08 1.57 -0.82 -3.06 116.57 113.17 1mnj h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mnj h LYS 47 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1mnj h LYS 47 CO 0.00 0.09 0.00 1.12 -0.57 0.00 0.00 179.45 180.09 1mnj h HIS 48 N 0.00 0.00 -3.17 -1.35 2.07 -1.89 -3.45 115.15 107.36 1mnj h HIS 48 Ca -0.00 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.94 1mnj h HIS 48 Cb 0.23 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.14 1mnj h HIS 48 CO 0.00 0.00 0.66 -0.51 -3.07 0.00 0.00 177.93 175.01 1mnj s LEU 49 N -5.59 4.11 -0.02 6.12 1.43 -1.16 -4.90 118.68 118.67 1mnj s LEU 49 Ca 0.00 1.29 0.21 0.00 -1.03 0.00 0.00 54.13 54.60 1mnj s LEU 49 Cb 0.10 -3.42 -0.31 0.00 0.03 0.00 0.00 46.19 42.58 1mnj s LEU 49 CO 0.44 -0.59 0.58 0.29 0.23 0.00 0.00 176.35 177.31 1mnj n LYS 50 N 6.03 0.51 -4.20 1.70 4.76 -1.26 -5.02 118.16 120.68 1mnj n LYS 50 Ca 0.09 -0.15 -0.14 0.00 -2.87 0.00 0.00 58.31 55.25 1mnj n LYS 50 Cb 0.47 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 32.07 1mnj n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1mnj s SER 51 N -4.09 0.56 0.28 4.39 1.04 -1.26 -4.97 113.70 109.65 1mnj s SER 51 Ca -0.04 -1.45 -0.00 0.00 0.48 0.00 0.00 55.95 54.94 1mnj s SER 51 Cb 0.14 0.46 0.40 0.00 0.10 0.00 0.00 66.02 67.12 1mnj s SER 51 CO 0.89 -0.95 1.78 -0.08 0.98 0.00 0.00 173.24 175.87 1mnj h GLU 52 N 2.44 0.71 -0.32 4.02 4.81 -1.98 0.48 114.58 124.74 1mnj h GLU 52 Ca -0.32 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 1mnj h GLU 52 Cb 1.24 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1mnj h GLU 52 CO 0.47 0.73 -0.18 -0.44 -0.73 0.00 0.00 179.01 178.86 1mnj h ASP 53 N 0.66 0.57 0.64 1.04 5.19 -1.98 0.44 116.42 122.98 1mnj h ASP 53 Ca 0.13 -0.17 -0.16 0.00 -0.62 0.00 0.00 57.03 56.21 1mnj h ASP 53 Cb 0.43 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1mnj h ASP 53 CO 0.02 0.76 -0.72 -0.33 -3.12 0.00 0.00 179.24 175.85 1mnj h GLU 54 N 0.52 0.07 -0.45 3.56 5.08 -1.63 -2.95 114.58 118.78 1mnj h GLU 54 Ca 0.09 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1mnj h GLU 54 Cb 0.60 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1mnj h GLU 54 CO 0.04 0.76 0.02 0.52 -1.00 0.00 0.00 179.01 179.35 1mnj h MET 55 N 0.04 0.78 0.00 2.33 2.86 0.21 -2.42 114.93 118.73 1mnj h MET 55 Ca -0.01 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1mnj h MET 55 Cb 1.28 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 1mnj h MET 55 CO 0.10 0.83 -0.02 0.87 1.06 0.00 0.00 176.91 179.75 1mnj h LYS 56 N 0.63 0.00 0.00 1.72 1.57 -0.07 -2.98 116.57 117.44 1mnj h LYS 56 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1mnj h LYS 56 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1mnj h LYS 56 CO 0.02 0.02 -1.54 0.00 -0.57 0.00 0.00 179.45 177.37 1mnj n ALA 57 N -2.10 3.43 -1.83 3.86 0.00 -1.09 -4.92 120.51 117.85 1mnj n ALA 57 Ca -0.00 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 1mnj n ALA 57 Cb 0.26 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 1mnj n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mnj s SER 58 N -4.05 6.40 0.04 0.00 0.15 -0.93 -4.90 113.70 110.41 1mnj s SER 58 Ca -0.02 2.31 -0.20 0.00 0.70 0.00 0.00 55.95 58.74 1mnj s SER 58 Cb 0.14 -2.53 -0.15 0.00 -1.71 0.00 0.00 66.02 61.77 1mnj s SER 58 CO 0.88 -1.14 1.30 -0.08 1.20 0.00 0.00 173.24 175.40 1mnj h GLU 59 N 10.78 0.40 -0.74 5.44 4.81 -1.91 -3.01 114.58 130.35 1mnj h GLU 59 Ca -0.43 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.55 1mnj h GLU 59 Cb 1.21 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 1mnj h GLU 59 CO 0.96 0.83 0.42 -0.44 -0.73 0.00 0.00 179.01 180.04 1mnj h ASP 60 N 0.00 0.90 -0.61 1.04 3.32 -1.97 -2.45 116.42 116.65 1mnj h ASP 60 Ca 0.01 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1mnj h ASP 60 Cb 0.80 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1mnj h ASP 60 CO 0.05 0.71 0.40 0.25 -1.72 0.00 0.00 179.24 178.93 1mnj h LEU 61 N 1.02 0.69 -1.11 1.55 6.46 -1.85 -2.56 115.31 119.51 1mnj h LEU 61 Ca 0.26 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 58.03 1mnj h LEU 61 Cb -0.00 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.71 1mnj h LEU 61 CO -0.05 0.50 0.61 0.50 -0.62 0.00 0.00 178.44 179.38 1mnj h LYS 62 N 0.82 1.15 -0.16 1.25 3.64 -1.39 -1.02 116.57 120.85 1mnj h LYS 62 Ca 0.22 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 1mnj h LYS 62 Cb -0.09 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.47 1mnj h LYS 62 CO -0.05 0.76 -0.31 -0.22 -2.27 0.00 0.00 179.45 177.36 1mnj h LYS 63 N 1.18 0.50 -0.28 1.90 3.64 -1.13 -0.80 116.57 121.60 1mnj h LYS 63 Ca 0.36 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1mnj h LYS 63 Cb -0.03 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1mnj h LYS 63 CO -0.10 0.93 -0.08 0.28 -2.27 0.00 0.00 179.45 178.21 1mnj h VAL 64 N 0.14 1.28 -0.75 2.00 2.07 -1.30 -1.94 116.25 117.75 1mnj h VAL 64 Ca 0.01 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.47 1mnj h VAL 64 Cb 0.90 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 1mnj h VAL 64 CO 0.07 0.35 0.45 1.23 0.02 0.00 0.00 177.57 179.69 1mnj h GLY 65 N 0.29 1.12 0.91 2.17 0.00 -1.16 -0.89 103.07 105.52 1mnj h GLY 65 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1mnj h GLY 65 CO 0.03 0.22 -0.07 -0.57 0.00 0.00 0.00 176.54 176.15 1mnj h ASN 66 N 0.84 -0.17 0.06 0.19 -0.73 -0.86 -2.48 115.58 112.43 1mnj h ASN 66 Ca 0.33 -0.07 0.02 0.00 1.87 0.00 0.00 56.30 58.44 1mnj h ASN 66 Cb 0.15 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1mnj h ASN 66 CO -0.16 -0.04 -0.15 0.74 -0.37 0.00 0.00 177.43 177.45 1mnj h THR 67 N -0.29 0.65 -0.34 -3.57 2.02 -0.99 0.04 112.91 110.42 1mnj h THR 67 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1mnj h THR 67 Cb 0.23 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1mnj h THR 67 CO 0.03 0.00 0.18 0.40 0.37 0.00 0.00 175.52 176.51 1mnj h ILE 68 N -0.28 1.01 0.00 3.11 2.04 -1.16 -2.37 117.51 119.86 1mnj h ILE 68 Ca 0.03 -0.13 -0.18 0.00 1.00 0.00 0.00 64.86 65.58 1mnj h ILE 68 Cb 0.31 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1mnj h ILE 68 CO -0.10 0.07 -0.85 -0.07 0.00 0.00 0.00 178.15 177.19 1mnj h LEU 69 N 0.38 0.00 -0.19 1.44 3.38 -1.28 -2.45 115.31 116.60 1mnj h LEU 69 Ca 0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1mnj h LEU 69 Cb 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1mnj h LEU 69 CO -0.08 0.85 0.08 0.74 0.09 0.00 0.00 178.44 180.12 1mnj h THR 70 N 0.00 1.14 -0.23 0.22 2.02 -0.91 -0.80 112.91 114.35 1mnj h THR 70 Ca -0.01 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1mnj h THR 70 Cb 1.50 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1mnj h THR 70 CO 0.11 0.14 0.08 0.00 0.37 0.00 0.00 175.52 176.21 1mnj h ALA 71 N 0.94 0.31 -0.54 6.16 0.00 -1.35 -2.63 119.26 122.15 1mnj h ALA 71 Ca 0.06 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1mnj h ALA 71 Cb 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1mnj h ALA 71 CO -0.01 -0.08 0.26 1.25 0.00 0.00 0.00 179.25 180.67 1mnj h LEU 72 N 0.21 0.34 -1.07 0.00 5.85 -1.33 -1.35 115.31 117.96 1mnj h LEU 72 Ca 0.08 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1mnj h LEU 72 Cb 0.22 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1mnj h LEU 72 CO -0.00 0.23 0.63 1.23 -0.34 0.00 0.00 178.44 180.18 1mnj h GLY 73 N 0.49 1.36 0.85 3.75 0.00 -0.99 -1.32 103.07 107.20 1mnj h GLY 73 Ca 0.25 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1mnj h GLY 73 CO -0.20 0.45 -0.08 -1.33 0.00 0.00 0.00 176.54 175.39 1mnj h GLY 74 N 1.25 0.53 1.35 4.60 0.00 -1.07 -2.13 103.07 107.59 1mnj h GLY 74 Ca 0.36 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1mnj h GLY 74 CO -0.09 0.41 0.03 -2.22 0.00 0.00 0.00 176.54 174.66 1mnj h ILE 75 N 0.22 1.24 -0.57 2.60 2.04 -0.76 -3.11 117.51 119.17 1mnj h ILE 75 Ca 0.06 -0.96 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 1mnj h ILE 75 Cb 0.56 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1mnj h ILE 75 CO 0.03 0.34 0.10 -0.07 0.00 0.00 0.00 178.15 178.54 1mnj h LEU 76 N 0.74 0.86 -0.72 1.44 3.38 -1.14 -2.69 115.31 117.19 1mnj h LEU 76 Ca 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1mnj h LEU 76 Cb 0.42 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1mnj h LEU 76 CO 0.02 0.87 0.00 0.29 0.09 0.00 0.00 178.44 179.70 1mnj n LYS 77 N -4.24 0.21 0.17 1.13 5.02 -0.81 -2.22 118.16 117.41 1mnj n LYS 77 Ca 0.04 0.43 0.12 0.00 -2.02 0.00 0.00 58.31 56.88 1mnj n LYS 77 Cb 0.26 -1.89 0.27 0.00 -0.02 0.00 0.00 35.03 33.65 1mnj n LYS 77 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1mnj h LYS 78 N 0.00 0.00 -5.86 1.97 1.79 -1.54 -3.49 116.57 109.45 1mnj h LYS 78 Ca 0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 1mnj h LYS 78 Cb 0.38 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.17 1mnj h LYS 78 CO 0.00 0.00 -0.90 1.63 -1.08 0.00 0.00 179.45 179.10 1mnj n LYS 79 N -2.72 -1.85 0.00 3.15 5.02 -0.94 -1.72 118.16 119.10 1mnj n LYS 79 Ca 0.05 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1mnj n LYS 79 Cb 0.49 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.54 1mnj n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mnj n GLY 80 N -1.47 3.16 2.45 0.72 0.00 -1.26 -4.91 105.19 103.87 1mnj n GLY 80 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1mnj n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mnj n HIS 81 N -1.35 1.85 -1.54 1.61 8.25 -0.70 -4.54 115.22 118.80 1mnj n HIS 81 Ca 0.00 -2.25 -0.07 0.00 -0.26 0.00 0.00 57.72 55.15 1mnj n HIS 81 Cb 0.00 -1.58 0.18 0.00 1.12 0.00 0.00 29.99 29.70 1mnj n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mnj n HIS 82 N 1.35 1.22 -0.21 4.41 1.44 -1.26 -4.76 115.22 117.42 1mnj n HIS 82 Ca 0.54 -1.73 -0.06 0.00 -2.01 0.00 0.00 57.72 54.45 1mnj n HIS 82 Cb 0.46 -0.49 0.03 0.00 0.12 0.00 0.00 29.99 30.11 1mnj n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1mnj h GLU 83 N 1.17 0.79 -0.67 -1.40 4.81 -1.98 -0.88 114.58 116.42 1mnj h GLU 83 Ca 0.23 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1mnj h GLU 83 Cb 1.53 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 1mnj h GLU 83 CO 0.44 0.54 0.31 0.00 -0.73 0.00 0.00 179.01 179.56 1mnj h ALA 84 N 1.20 0.86 -0.00 2.92 0.00 -1.99 -2.68 119.26 119.58 1mnj h ALA 84 Ca 0.22 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1mnj h ALA 84 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1mnj h ALA 84 CO -0.04 0.44 -0.76 0.93 0.00 0.00 0.00 179.25 179.82 1mnj h GLU 85 N 0.93 0.01 0.00 0.00 3.07 -1.89 -3.31 114.58 113.40 1mnj h GLU 85 Ca 0.23 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1mnj h GLU 85 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1mnj h GLU 85 CO -0.03 0.76 -0.55 1.25 -1.40 0.00 0.00 179.01 179.05 1mnj h LEU 86 N 0.01 0.00 0.07 1.33 6.46 -1.00 -3.31 115.31 118.87 1mnj h LEU 86 Ca -0.01 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1mnj h LEU 86 Cb 1.34 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 1mnj h LEU 86 CO 0.10 0.02 -0.04 0.74 -0.62 0.00 0.00 178.44 178.64 1mnj h THR 87 N 0.00 1.02 -0.67 1.05 2.02 -1.56 -0.74 112.91 114.03 1mnj h THR 87 Ca 0.00 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 1mnj h THR 87 Cb 0.94 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1mnj h THR 87 CO 0.00 0.08 0.27 1.55 0.37 0.00 0.00 175.52 177.79 1mnj h PRO 88 N -0.25 0.99 -0.38 6.66 0.13 -1.74 -1.69 132.00 135.71 1mnj h PRO 88 Ca -0.01 -0.16 -0.07 0.00 -0.87 0.00 0.00 66.00 64.89 1mnj h PRO 88 Cb 0.22 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1mnj h PRO 88 CO 0.02 0.81 -0.03 1.25 -0.23 0.00 0.00 178.00 179.82 1mnj h LEU 89 N 0.97 0.68 -0.76 1.56 5.85 -1.58 -1.83 115.31 120.20 1mnj h LEU 89 Ca 0.23 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1mnj h LEU 89 Cb 0.19 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1mnj h LEU 89 CO -0.02 0.84 0.27 0.00 -0.34 0.00 0.00 178.44 179.19 1mnj h ALA 90 N 0.86 0.99 0.39 1.25 0.00 -1.00 0.31 119.26 122.06 1mnj h ALA 90 Ca 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1mnj h ALA 90 Cb 0.51 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1mnj h ALA 90 CO 0.02 0.65 -0.19 1.96 0.00 0.00 0.00 179.25 181.69 1mnj h GLN 91 N 1.11 -0.51 -0.30 0.00 4.20 -1.21 0.49 115.11 118.89 1mnj h GLN 91 Ca 0.25 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1mnj h GLN 91 Cb 0.27 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1mnj h GLN 91 CO -0.01 -0.28 0.15 0.66 -0.67 0.00 0.00 178.83 178.68 1mnj h SER 92 N -0.63 0.39 -0.15 1.46 4.64 -1.26 -0.99 113.55 117.01 1mnj h SER 92 Ca -0.05 -0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 1mnj h SER 92 Cb 0.46 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1mnj h SER 92 CO 0.09 0.40 -0.30 0.45 -0.87 0.00 0.00 176.83 176.60 1mnj h HIS 93 N 0.35 0.73 0.00 4.77 3.86 -0.92 0.15 115.15 124.10 1mnj h HIS 93 Ca 0.10 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1mnj h HIS 93 Cb 0.11 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1mnj h HIS 93 CO -0.02 0.86 0.00 0.00 0.86 0.00 0.00 177.93 179.63 1mnj n ALA 94 N -2.50 -0.14 0.08 2.45 0.00 0.16 0.11 120.51 120.66 1mnj n ALA 94 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 1mnj n ALA 94 Cb 0.46 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.00 1mnj n ALA 94 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1mnj h THR 95 N 0.00 1.40 0.00 0.00 1.35 -1.28 -3.05 112.91 111.33 1mnj h THR 95 Ca 0.00 -2.10 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 1mnj h THR 95 Cb 0.00 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1mnj h THR 95 CO 0.00 0.62 -0.45 1.17 -0.25 0.00 0.00 175.52 176.61 1mnj n LYS 96 N -3.83 0.26 0.10 4.72 4.81 0.34 -4.66 118.16 119.90 1mnj n LYS 96 Ca -0.03 0.18 -0.04 0.00 -0.87 0.00 0.00 58.31 57.56 1mnj n LYS 96 Cb 0.66 -1.05 -0.00 0.00 0.02 0.00 0.00 35.03 34.66 1mnj n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1mnj h HIS 97 N -0.52 0.00 -5.36 5.64 3.86 -1.15 -3.48 115.15 114.14 1mnj h HIS 97 Ca 0.00 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.96 1mnj h HIS 97 Cb 0.45 0.00 0.18 0.00 1.06 0.00 0.00 27.41 29.11 1mnj h HIS 97 CO -0.19 0.80 -0.80 1.63 0.86 0.00 0.00 177.93 180.23 1mnj n LYS 98 N -3.45 -3.00 -3.13 2.45 5.02 0.20 -4.97 118.16 111.28 1mnj n LYS 98 Ca -0.00 0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 56.71 1mnj n LYS 98 Cb 0.81 -5.65 -0.07 0.00 -0.02 0.00 0.00 35.03 30.11 1mnj n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1mnj s ILE 99 N -3.37 4.96 0.68 -0.18 -1.09 0.29 -4.96 121.20 117.54 1mnj s ILE 99 Ca 0.35 0.92 -0.17 0.00 -2.23 0.00 0.00 60.65 59.52 1mnj s ILE 99 Cb -0.05 -3.97 0.01 0.00 -1.58 0.00 0.00 42.46 36.87 1mnj s ILE 99 CO 0.70 -0.08 1.28 -2.16 -1.23 0.00 0.00 174.94 173.45 1mnj s PRO 100 N 2.55 2.38 0.44 2.79 0.04 -1.26 -4.73 135.00 137.22 1mnj s PRO 100 Ca 0.25 2.01 0.21 0.00 0.04 0.00 0.00 61.00 63.51 1mnj s PRO 100 Cb -0.15 -1.83 1.03 0.00 0.04 0.00 0.00 34.50 33.59 1mnj s PRO 100 CO 0.11 -1.72 1.91 -0.39 0.04 0.00 0.00 177.00 176.96 1mnj h VAL 101 N 0.28 0.85 -0.11 -0.36 -1.51 -1.99 -1.61 116.25 111.80 1mnj h VAL 101 Ca -0.50 -0.98 0.03 0.00 -1.23 0.00 0.00 66.70 64.02 1mnj h VAL 101 Cb 1.33 1.59 -0.00 0.00 -2.13 0.00 0.00 31.29 32.07 1mnj h VAL 101 CO 0.52 0.25 0.11 0.07 -1.23 0.00 0.00 177.57 177.28 1mnj h LYS 102 N 0.00 0.00 -0.14 5.19 2.10 -2.00 0.76 116.57 122.48 1mnj h LYS 102 Ca -0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.53 1mnj h LYS 102 Cb 0.57 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1mnj h LYS 102 CO 0.03 0.00 -0.42 1.88 -2.00 0.00 0.00 179.45 178.95 1mnj h TYR 103 N 0.00 0.36 -0.50 0.07 -1.99 -1.65 -1.20 116.97 112.07 1mnj h TYR 103 Ca 0.05 -0.10 -0.11 0.00 2.00 0.00 0.00 58.73 60.58 1mnj h TYR 103 Cb 0.27 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1mnj h TYR 103 CO 0.00 0.68 -0.12 -0.07 -0.00 0.00 0.00 178.16 178.65 1mnj h LEU 104 N 0.26 0.93 -0.68 3.88 3.38 -0.90 -1.87 115.31 120.30 1mnj h LEU 104 Ca 0.02 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 1mnj h LEU 104 Cb 0.85 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1mnj h LEU 104 CO 0.07 1.05 -0.28 -0.33 0.09 0.00 0.00 178.44 179.04 1mnj h GLU 105 N 0.83 0.72 -0.65 1.13 5.08 -0.36 -2.37 114.58 118.97 1mnj h GLU 105 Ca 0.13 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1mnj h GLU 105 Cb 0.65 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1mnj h GLU 105 CO 0.05 0.92 0.40 0.74 -1.00 0.00 0.00 179.01 180.11 1mnj h PHE 106 N 0.62 0.84 -0.04 4.33 0.04 -0.90 -2.08 116.94 119.76 1mnj h PHE 106 Ca 0.08 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 1mnj h PHE 106 Cb 0.78 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1mnj h PHE 106 CO 0.04 0.56 -0.58 0.97 -0.60 0.00 0.00 178.31 178.70 1mnj h ILE 107 N 0.88 1.40 -0.32 -0.55 2.10 -1.26 -0.68 117.51 119.07 1mnj h ILE 107 Ca 0.23 -1.97 0.02 0.00 1.08 0.00 0.00 64.86 64.22 1mnj h ILE 107 Cb -0.05 2.02 -0.02 0.00 -1.09 0.00 0.00 36.82 37.68 1mnj h ILE 107 CO -0.05 0.57 0.17 0.28 -1.08 0.00 0.00 178.15 178.05 1mnj h SER 108 N 0.09 0.27 -0.40 2.19 0.02 -1.19 0.94 113.55 115.47 1mnj h SER 108 Ca -0.00 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1mnj h SER 108 Cb 1.06 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 1mnj h SER 108 CO 0.08 0.20 0.03 -0.08 -1.14 0.00 0.00 176.83 175.93 1mnj h GLU 109 N 0.36 0.68 -0.62 3.45 4.81 -1.27 -0.81 114.58 121.18 1mnj h GLU 109 Ca 0.13 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1mnj h GLU 109 Cb 0.03 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1mnj h GLU 109 CO -0.08 0.75 0.27 0.00 -0.73 0.00 0.00 179.01 179.22 1mnj h ALA 110 N 0.90 1.30 -0.02 2.92 0.00 -0.51 -1.59 119.26 122.26 1mnj h ALA 110 Ca 0.12 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1mnj h ALA 110 Cb 0.42 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1mnj h ALA 110 CO 0.01 0.53 -0.04 0.82 0.00 0.00 0.00 179.25 180.57 1mnj h ILE 111 N 0.89 0.88 -0.80 0.00 2.04 -0.32 -1.28 117.51 118.91 1mnj h ILE 111 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1mnj h ILE 111 Cb 0.14 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1mnj h ILE 111 CO -0.02 0.00 0.52 0.40 0.00 0.00 0.00 178.15 179.05 1mnj h ILE 112 N -0.07 1.21 -0.75 -0.67 2.04 -0.97 0.11 117.51 118.42 1mnj h ILE 112 Ca 0.02 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1mnj h ILE 112 Cb 0.10 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.19 1mnj h ILE 112 CO -0.06 0.21 0.49 1.56 0.00 0.00 0.00 178.15 180.35 1mnj h GLN 113 N 1.09 0.99 -0.35 2.37 4.20 -1.04 0.21 115.11 122.57 1mnj h GLN 113 Ca 0.29 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.81 1mnj h GLN 113 Cb -0.10 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.45 1mnj h GLN 113 CO -0.06 0.66 -0.26 0.28 -0.67 0.00 0.00 178.83 178.79 1mnj h VAL 114 N 1.02 1.29 -0.64 -0.54 2.07 -0.88 -1.14 116.25 117.42 1mnj h VAL 114 Ca 0.27 -1.41 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 1mnj h VAL 114 Cb -0.10 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1mnj h VAL 114 CO -0.06 0.46 0.05 -0.07 0.02 0.00 0.00 177.57 177.98 1mnj h LEU 115 N 0.58 1.07 -0.18 2.57 3.38 -0.33 0.25 115.31 122.65 1mnj h LEU 115 Ca 0.07 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1mnj h LEU 115 Cb 0.82 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1mnj h LEU 115 CO 0.07 1.09 0.03 -0.61 0.09 0.00 0.00 178.44 179.11 1mnj h GLN 116 N 1.02 0.10 0.01 1.13 5.75 -0.53 0.56 115.11 123.15 1mnj h GLN 116 Ca 0.19 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1mnj h GLN 116 Cb 0.51 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1mnj h GLN 116 CO 0.02 0.07 -0.01 0.77 -2.65 0.00 0.00 178.83 177.03 1mnj h SER 117 N 0.10 -0.01 0.92 -0.69 0.02 -1.06 -3.08 113.55 109.75 1mnj h SER 117 Ca 0.08 -0.25 -0.17 0.00 -0.84 0.00 0.00 61.79 60.60 1mnj h SER 117 Cb 0.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1mnj h SER 117 CO -0.11 0.25 -1.16 0.11 -1.14 0.00 0.00 176.83 174.78 1mnj h LYS 118 N -0.27 0.00 -1.74 3.45 1.57 -0.48 -3.40 116.57 115.70 1mnj h LYS 118 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1mnj h LYS 118 Cb 0.26 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.16 1mnj h LYS 118 CO 0.00 0.47 -0.93 0.72 -0.57 0.00 0.00 179.45 179.14 1mnj n HIS 119 N -3.06 2.26 -0.30 -1.35 8.25 0.20 -4.91 115.22 116.30 1mnj n HIS 119 Ca -0.06 -3.47 0.05 0.00 -0.26 0.00 0.00 57.72 53.97 1mnj n HIS 119 Cb 0.86 -0.35 0.20 0.00 1.12 0.00 0.00 29.99 31.81 1mnj n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mnj h PRO 120 N 2.89 0.75 0.00 -0.41 0.13 -1.65 -0.56 132.00 133.16 1mnj h PRO 120 Ca 0.11 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1mnj h PRO 120 Cb 0.87 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1mnj h PRO 120 CO 0.67 0.50 -0.10 0.78 -0.23 0.00 0.00 178.00 179.62 1mnj h GLY 121 N 0.78 0.00 -1.48 1.56 0.00 -1.90 -2.82 103.07 99.20 1mnj h GLY 121 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1mnj h GLY 121 CO -0.28 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.48 1mnj n ASP 122 N -3.39 2.64 -3.28 0.19 9.92 -0.65 -4.64 116.55 117.33 1mnj n ASP 122 Ca -0.01 -1.77 -0.30 0.00 -0.53 0.00 0.00 54.79 52.18 1mnj n ASP 122 Cb 0.27 -0.08 -0.05 0.00 -0.64 0.00 0.00 41.12 40.62 1mnj n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1mnj n PHE 123 N 0.96 3.64 -0.98 1.24 7.35 -0.31 -4.84 117.46 124.53 1mnj n PHE 123 Ca 0.12 -3.81 -0.03 0.00 -0.76 0.00 0.00 57.45 52.96 1mnj n PHE 123 Cb 0.44 -0.64 0.02 0.00 0.35 0.00 0.00 39.48 39.65 1mnj n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mnj n GLY 124 N 0.33 -1.45 0.26 7.13 0.00 -1.26 -4.61 105.19 105.59 1mnj n GLY 124 Ca 0.32 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.74 1mnj n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mnj h ALA 125 N -2.00 0.95 0.19 4.61 0.00 -1.97 0.20 119.26 121.23 1mnj h ALA 125 Ca -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1mnj h ALA 125 Cb 0.12 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1mnj h ALA 125 CO 0.03 -0.19 -0.09 -0.44 0.00 0.00 0.00 179.25 178.56 1mnj h ASP 126 N 0.44 -0.21 -0.08 0.00 3.32 -1.99 -1.36 116.42 116.53 1mnj h ASP 126 Ca 0.37 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1mnj h ASP 126 Cb 0.51 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1mnj h ASP 126 CO -0.36 0.12 0.01 0.00 -1.72 0.00 0.00 179.24 177.29 1mnj h ALA 127 N 0.16 1.72 -0.06 3.45 0.00 -1.80 -1.78 119.26 120.96 1mnj h ALA 127 Ca -0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1mnj h ALA 127 Cb 0.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1mnj h ALA 127 CO 0.04 0.22 0.03 1.96 0.00 0.00 0.00 179.25 181.49 1mnj h GLN 128 N 0.22 0.08 -0.42 0.00 4.20 -0.36 -0.18 115.11 118.65 1mnj h GLN 128 Ca 0.05 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1mnj h GLN 128 Cb 0.15 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1mnj h GLN 128 CO 0.00 0.17 -0.11 0.78 -0.67 0.00 0.00 178.83 179.00 1mnj h GLY 129 N -0.03 0.82 0.75 3.46 0.00 -0.88 -1.53 103.07 105.66 1mnj h GLY 129 Ca 0.02 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1mnj h GLY 129 CO -0.00 0.56 -0.02 0.00 0.00 0.00 0.00 176.54 177.08 1mnj h ALA 130 N 1.19 -0.07 -0.70 3.60 0.00 -1.20 -1.42 119.26 120.66 1mnj h ALA 130 Ca 0.12 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1mnj h ALA 130 Cb 0.58 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1mnj h ALA 130 CO 0.04 -0.41 0.45 1.98 0.00 0.00 0.00 179.25 181.30 1mnj h MET 131 N -0.32 0.86 -0.77 0.00 -1.53 -0.96 -0.71 114.93 111.49 1mnj h MET 131 Ca -0.01 -0.05 -0.05 0.00 -3.44 0.00 0.00 59.70 56.15 1mnj h MET 131 Cb 0.29 -0.19 -0.03 0.00 -0.55 0.00 0.00 31.60 31.11 1mnj h MET 131 CO 0.01 0.57 0.30 1.03 0.14 0.00 0.00 176.91 178.96 1mnj h SER 132 N 0.89 1.06 -0.27 1.39 0.87 -1.26 0.24 113.55 116.47 1mnj h SER 132 Ca 0.27 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 1mnj h SER 132 Cb -0.02 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 1mnj h SER 132 CO -0.09 0.95 -0.21 0.11 -0.53 0.00 0.00 176.83 177.06 1mnj h LYS 133 N 1.12 0.73 -0.29 2.24 1.57 -0.43 -0.15 116.57 121.36 1mnj h LYS 133 Ca 0.26 -0.28 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1mnj h LYS 133 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1mnj h LYS 133 CO -0.02 0.88 -0.43 0.00 -0.57 0.00 0.00 179.45 179.32 1mnj h ALA 134 N 1.12 0.71 -0.02 3.86 0.00 -0.57 -2.31 119.26 122.06 1mnj h ALA 134 Ca 0.09 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1mnj h ALA 134 Cb 0.70 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1mnj h ALA 134 CO 0.05 0.67 -0.55 -0.07 0.00 0.00 0.00 179.25 179.35 1mnj h LEU 135 N 0.58 0.06 -0.49 0.00 3.38 -0.30 -2.67 115.31 115.87 1mnj h LEU 135 Ca 0.04 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1mnj h LEU 135 Cb 0.97 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1mnj h LEU 135 CO 0.09 0.60 -0.48 -0.08 0.09 0.00 0.00 178.44 178.66 1mnj h GLU 136 N 0.04 0.70 -0.43 1.13 4.81 -0.83 -0.89 114.58 119.11 1mnj h GLU 136 Ca -0.00 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 58.86 1mnj h GLU 136 Cb 0.98 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 1mnj h GLU 136 CO 0.07 1.02 0.21 1.25 -0.73 0.00 0.00 179.01 180.83 1mnj h LEU 137 N 0.55 0.29 -0.13 1.64 5.85 -1.37 0.20 115.31 122.35 1mnj h LEU 137 Ca 0.03 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1mnj h LEU 137 Cb 1.04 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1mnj h LEU 137 CO 0.10 0.21 0.08 0.15 -0.34 0.00 0.00 178.44 178.64 1mnj h PHE 138 N 0.41 0.17 -0.66 1.25 3.57 -1.29 0.33 116.94 120.72 1mnj h PHE 138 Ca 0.19 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1mnj h PHE 138 Cb 0.11 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1mnj h PHE 138 CO -0.11 0.13 0.23 0.00 -2.23 0.00 0.00 178.31 176.33 1mnj h ARG 139 N 0.16 1.02 -0.44 1.11 3.08 -0.59 0.31 114.38 119.02 1mnj h ARG 139 Ca 0.05 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 1mnj h ARG 139 Cb 0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1mnj h ARG 139 CO -0.01 0.87 0.11 -0.91 -1.07 0.00 0.00 179.97 178.96 1mnj h ASN 140 N 0.95 0.67 0.44 7.04 -0.26 -0.31 -0.95 115.58 123.17 1mnj h ASN 140 Ca 0.22 -0.23 -0.08 0.00 -0.56 0.00 0.00 56.30 55.65 1mnj h ASN 140 Cb 0.26 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 1mnj h ASN 140 CO -0.01 0.73 -0.38 0.44 -1.06 0.00 0.00 177.43 177.14 1mnj h ASP 141 N 0.59 0.00 -0.30 5.81 3.32 0.02 -2.93 116.42 122.93 1mnj h ASP 141 Ca 0.14 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1mnj h ASP 141 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1mnj h ASP 141 CO 0.00 0.38 0.01 0.24 -1.72 0.00 0.00 179.24 178.16 1mnj h MET 142 N 0.00 0.52 -0.75 3.56 2.86 -0.53 -2.78 114.93 117.82 1mnj h MET 142 Ca -0.00 -0.16 0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1mnj h MET 142 Cb 0.71 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 1mnj h MET 142 CO 0.05 0.66 0.49 0.00 1.06 0.00 0.00 176.91 179.17 1mnj h ALA 143 N 0.85 1.62 -0.21 6.32 0.00 -1.10 0.73 119.26 127.46 1mnj h ALA 143 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1mnj h ALA 143 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1mnj h ALA 143 CO 0.01 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.54 1mnj h ALA 144 N 1.58 0.29 -0.59 0.00 0.00 -1.48 -1.50 119.26 117.57 1mnj h ALA 144 Ca 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1mnj h ALA 144 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1mnj h ALA 144 CO -0.10 0.02 0.34 -0.22 0.00 0.00 0.00 179.25 179.29 1mnj h LYS 145 N 0.14 0.81 -0.33 0.00 1.63 -1.15 -2.10 116.57 115.57 1mnj h LYS 145 Ca 0.06 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1mnj h LYS 145 Cb 0.42 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1mnj h LYS 145 CO 0.01 0.60 0.20 1.88 -3.45 0.00 0.00 179.45 178.69 1mnj h TYR 146 N 0.79 0.44 -0.51 1.91 -1.99 -0.77 -2.19 116.97 114.65 1mnj h TYR 146 Ca 0.21 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.95 1mnj h TYR 146 Cb 0.01 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 38.57 1mnj h TYR 146 CO -0.02 0.33 0.32 -0.22 -0.00 0.00 0.00 178.16 178.57 1mnj h LYS 147 N 0.43 0.64 -0.89 4.88 3.11 -0.92 -1.31 116.57 122.50 1mnj h LYS 147 Ca 0.12 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.90 1mnj h LYS 147 Cb 0.01 -0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 31.06 1mnj h LYS 147 CO -0.02 0.42 0.48 1.49 -2.81 0.00 0.00 179.45 179.01 1mnj h GLU 148 N 0.66 1.24 0.00 1.90 4.81 -1.31 -1.73 114.58 120.15 1mnj h GLU 148 Ca 0.19 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1mnj h GLU 148 Cb -0.04 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.10 1mnj h GLU 148 CO -0.06 0.91 0.00 -0.07 -0.73 0.00 0.00 179.01 179.06 1mnj h LEU 149 N 1.24 0.00 0.00 1.64 3.38 -1.13 -3.47 115.31 116.97 1mnj h LEU 149 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1mnj h LEU 149 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1mnj h LEU 149 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 1mnj n GLY 150 N 0.37 0.70 0.89 0.83 0.00 -0.65 -5.08 105.19 102.25 1mnj n GLY 150 Ca 0.03 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1mnj n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65