#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mnk s LEU 2 N 0.00 4.08 0.71 0.99 1.02 -1.26 -5.10 118.68 119.13 1mnk s LEU 2 Ca 0.00 0.21 -0.07 0.00 0.02 0.00 0.00 54.13 54.29 1mnk s LEU 2 Cb 0.00 -2.44 0.07 0.00 0.02 0.00 0.00 46.19 43.84 1mnk s LEU 2 CO 0.00 0.26 1.02 -0.94 0.02 0.00 0.00 176.35 176.71 1mnk s SER 3 N -1.89 4.73 0.22 2.29 1.04 -1.26 -4.89 113.70 113.94 1mnk s SER 3 Ca 0.25 0.41 -0.08 0.00 0.48 0.00 0.00 55.95 57.01 1mnk s SER 3 Cb -0.12 -1.02 0.28 0.00 0.10 0.00 0.00 66.02 65.25 1mnk s SER 3 CO 0.17 -1.65 1.82 0.44 0.98 0.00 0.00 173.24 174.99 1mnk h ASP 4 N -0.63 0.61 -0.72 7.02 3.32 -1.99 -1.15 116.42 122.88 1mnk h ASP 4 Ca -0.44 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1mnk h ASP 4 Cb 1.31 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.73 1mnk h ASP 4 CO 0.58 0.39 0.39 1.23 -1.72 0.00 0.00 179.24 180.12 1mnk h GLY 5 N 0.75 1.10 1.36 2.75 0.00 -1.99 -1.97 103.07 105.06 1mnk h GLY 5 Ca 0.32 -0.50 -0.22 0.00 0.00 0.00 0.00 47.33 46.94 1mnk h GLY 5 CO -0.19 0.48 -0.84 0.83 0.00 0.00 0.00 176.54 176.82 1mnk h GLU 6 N 1.03 0.62 -0.60 4.80 5.08 -1.62 -2.57 114.58 121.32 1mnk h GLU 6 Ca 0.26 -0.55 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1mnk h GLU 6 Cb 0.04 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1mnk h GLU 6 CO -0.04 1.17 0.33 -1.49 -1.00 0.00 0.00 179.01 177.98 1mnk h TRP 7 N 0.40 0.81 -0.38 4.33 -0.00 -1.15 -1.42 115.95 118.54 1mnk h TRP 7 Ca -0.06 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.77 1mnk h TRP 7 Cb 1.46 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 30.34 1mnk h TRP 7 CO 0.07 0.56 0.05 1.96 -0.00 0.00 0.00 178.44 181.09 1mnk h GLN 8 N 0.84 0.64 -0.84 0.49 1.08 -1.13 0.35 115.11 116.54 1mnk h GLN 8 Ca 0.21 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1mnk h GLN 8 Cb 0.02 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 1mnk h GLN 8 CO -0.04 0.70 0.52 -0.07 -0.95 0.00 0.00 178.83 179.00 1mnk h LEU 9 N 0.48 0.99 0.27 1.46 3.38 -0.96 0.75 115.31 121.68 1mnk h LEU 9 Ca 0.11 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1mnk h LEU 9 Cb 0.38 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1mnk h LEU 9 CO 0.01 0.75 -0.21 0.58 0.09 0.00 0.00 178.44 179.66 1mnk h VAL 10 N 1.15 0.55 0.00 1.22 2.07 -0.91 -1.50 116.25 118.83 1mnk h VAL 10 Ca 0.30 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.74 1mnk h VAL 10 Cb -0.08 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1mnk h VAL 10 CO -0.06 0.00 -0.38 -0.07 0.02 0.00 0.00 177.57 177.08 1mnk h LEU 11 N -0.49 0.00 -0.12 2.57 3.38 -0.66 -1.49 115.31 118.51 1mnk h LEU 11 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1mnk h LEU 11 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1mnk h LEU 11 CO -0.01 0.38 0.05 0.78 0.09 0.00 0.00 178.44 179.72 1mnk h ASN 12 N 0.00 0.16 -0.62 -0.43 -0.26 -0.32 -2.45 115.58 111.66 1mnk h ASN 12 Ca -0.00 -0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 55.54 1mnk h ASN 12 Cb 0.80 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.99 1mnk h ASN 12 CO 0.05 0.27 0.22 0.58 -1.06 0.00 0.00 177.43 177.49 1mnk h VAL 13 N 0.04 1.24 -0.69 2.81 2.07 -1.10 -2.83 116.25 117.79 1mnk h VAL 13 Ca 0.04 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1mnk h VAL 13 Cb 0.16 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1mnk h VAL 13 CO -0.00 0.30 0.46 -0.25 0.02 0.00 0.00 177.57 178.10 1mnk h TRP 14 N 0.88 0.69 -0.64 1.57 2.91 -1.13 -0.77 115.95 119.46 1mnk h TRP 14 Ca 0.20 0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.35 1mnk h TRP 14 Cb 0.25 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 1mnk h TRP 14 CO 0.02 0.35 0.43 0.78 -1.03 0.00 0.00 178.44 178.99 1mnk h GLY 15 N 0.67 0.60 1.16 2.65 0.00 -1.17 1.00 103.07 107.97 1mnk h GLY 15 Ca 0.30 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.34 1mnk h GLY 15 CO -0.10 0.09 -0.18 0.50 0.00 0.00 0.00 176.54 176.85 1mnk h LYS 16 N 0.41 0.97 -0.38 4.80 1.79 -1.26 -2.37 116.57 120.53 1mnk h LYS 16 Ca 0.30 -0.39 -0.10 0.00 -2.18 0.00 0.00 60.65 58.28 1mnk h LYS 16 Cb 0.62 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1mnk h LYS 16 CO -0.09 1.06 -0.18 0.28 -1.08 0.00 0.00 179.45 179.44 1mnk h VAL 17 N 0.84 1.26 0.00 0.50 2.07 -0.80 -3.14 116.25 116.99 1mnk h VAL 17 Ca 0.12 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 1mnk h VAL 17 Cb 0.74 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1mnk h VAL 17 CO 0.06 0.42 -0.05 -0.33 0.02 0.00 0.00 177.57 177.68 1mnk h GLU 18 N 0.63 0.00 0.00 1.57 5.08 -0.72 -1.41 114.58 119.73 1mnk h GLU 18 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1mnk h GLU 18 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1mnk h GLU 18 CO 0.05 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.11 1mnk n ALA 19 N -2.14 2.18 -2.73 3.43 0.00 -0.93 -4.27 120.51 116.05 1mnk n ALA 19 Ca -0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 1mnk n ALA 19 Cb 0.28 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.41 1mnk n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mnk n ASP 20 N -1.33 -2.49 -0.09 0.00 2.03 -0.60 -5.05 116.55 109.01 1mnk n ASP 20 Ca 0.10 -2.93 -0.13 0.00 0.52 0.00 0.00 54.79 52.35 1mnk n ASP 20 Cb 0.21 1.56 -0.04 0.00 -0.72 0.00 0.00 41.12 42.12 1mnk n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mnk h VAL 21 N 2.57 1.30 -0.33 5.18 2.07 -1.55 -2.78 116.25 122.70 1mnk h VAL 21 Ca -0.17 -1.39 -0.11 0.00 0.82 0.00 0.00 66.70 65.85 1mnk h VAL 21 Cb 1.08 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1mnk h VAL 21 CO 0.19 0.44 -0.24 0.00 0.02 0.00 0.00 177.57 177.99 1mnk h ALA 22 N 0.71 0.95 -0.33 1.67 0.00 -1.90 -0.36 119.26 120.01 1mnk h ALA 22 Ca 0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1mnk h ALA 22 Cb 0.79 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1mnk h ALA 22 CO 0.06 0.61 -0.07 0.78 0.00 0.00 0.00 179.25 180.62 1mnk h GLY 23 N 0.99 0.68 0.99 0.00 0.00 -1.92 -1.63 103.07 102.17 1mnk h GLY 23 Ca 0.08 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1mnk h GLY 23 CO 0.06 0.51 0.15 0.45 0.00 0.00 0.00 176.54 177.70 1mnk h HIS 24 N 0.40 0.88 -0.31 5.60 3.86 -1.35 -2.41 115.15 121.82 1mnk h HIS 24 Ca 0.08 -0.10 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1mnk h HIS 24 Cb 0.57 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.73 1mnk h HIS 24 CO 0.05 0.76 -0.01 0.78 0.86 0.00 0.00 177.93 180.38 1mnk h GLY 25 N 0.75 0.30 0.72 2.45 0.00 -0.85 -1.20 103.07 105.23 1mnk h GLY 25 Ca 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1mnk h GLY 25 CO -0.00 -0.07 -0.00 -1.61 0.00 0.00 0.00 176.54 174.85 1mnk h GLN 26 N 0.08 0.12 -0.96 4.80 4.15 -1.35 -1.52 115.11 120.43 1mnk h GLN 26 Ca 0.15 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.55 1mnk h GLN 26 Cb 0.20 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.83 1mnk h GLN 26 CO -0.26 0.41 0.63 0.93 -1.93 0.00 0.00 178.83 178.61 1mnk h GLU 27 N -0.19 1.23 -0.21 1.69 4.39 -1.21 -0.32 114.58 119.97 1mnk h GLU 27 Ca 0.02 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1mnk h GLU 27 Cb 0.36 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1mnk h GLU 27 CO 0.00 0.81 0.08 0.28 -1.16 0.00 0.00 179.01 179.03 1mnk h VAL 28 N 1.27 1.17 -0.35 3.13 2.07 -1.13 0.21 116.25 122.62 1mnk h VAL 28 Ca 0.37 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 1mnk h VAL 28 Cb -0.08 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1mnk h VAL 28 CO -0.10 0.17 -0.34 -0.07 0.02 0.00 0.00 177.57 177.25 1mnk h LEU 29 N 0.18 0.83 -0.88 2.57 3.38 -0.91 -1.91 115.31 118.56 1mnk h LEU 29 Ca 0.07 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1mnk h LEU 29 Cb 0.19 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1mnk h LEU 29 CO -0.01 1.09 0.10 0.40 0.09 0.00 0.00 178.44 180.11 1mnk h ILE 30 N 0.66 1.25 -0.35 1.22 2.04 -0.86 -1.51 117.51 119.95 1mnk h ILE 30 Ca 0.07 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 1mnk h ILE 30 Cb 0.89 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1mnk h ILE 30 CO 0.08 0.35 0.13 0.03 0.00 0.00 0.00 178.15 178.74 1mnk h ARG 31 N 0.88 0.52 -0.40 2.37 2.47 -0.82 -1.46 114.38 117.93 1mnk h ARG 31 Ca 0.18 -0.10 0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1mnk h ARG 31 Cb 0.38 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 1mnk h ARG 31 CO 0.01 0.52 0.26 1.25 0.56 0.00 0.00 179.97 182.56 1mnk h LEU 32 N 0.41 0.43 -0.60 3.04 5.85 -1.14 -0.10 115.31 123.21 1mnk h LEU 32 Ca 0.11 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 1mnk h LEU 32 Cb 0.20 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1mnk h LEU 32 CO -0.01 0.31 -0.35 -0.26 -0.34 0.00 0.00 178.44 177.79 1mnk h PHE 33 N 0.52 0.85 -0.20 1.25 0.04 -1.15 0.16 116.94 118.42 1mnk h PHE 33 Ca 0.15 -0.23 -0.09 0.00 2.80 0.00 0.00 57.97 60.60 1mnk h PHE 33 Cb -0.04 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 1mnk h PHE 33 CO -0.06 0.97 -0.23 -0.22 -0.60 0.00 0.00 178.31 178.18 1mnk h LYS 34 N 0.60 0.50 0.03 1.51 1.63 -1.21 -2.97 116.57 116.66 1mnk h LYS 34 Ca 0.06 -0.28 -0.24 0.00 -0.85 0.00 0.00 60.65 59.35 1mnk h LYS 34 Cb 0.88 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.50 1mnk h LYS 34 CO 0.08 0.86 -1.18 0.78 -3.45 0.00 0.00 179.45 176.54 1mnk h GLY 35 N 0.17 0.07 -5.75 5.01 0.00 -0.89 -3.42 103.07 98.26 1mnk h GLY 35 Ca 0.03 -0.18 -0.43 0.00 0.00 0.00 0.00 47.33 46.75 1mnk h GLY 35 CO 0.05 0.16 -0.84 1.42 0.00 0.00 0.00 176.54 177.33 1mnk n HIS 36 N -3.34 -1.76 0.22 5.60 8.25 0.56 -5.02 115.22 119.73 1mnk n HIS 36 Ca -0.05 -2.73 0.16 0.00 -0.26 0.00 0.00 57.72 54.84 1mnk n HIS 36 Cb 0.98 0.55 0.82 0.00 1.12 0.00 0.00 29.99 33.46 1mnk n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mnk h PRO 37 N 4.74 0.00 0.00 -0.41 0.13 -1.68 0.18 132.00 134.96 1mnk h PRO 37 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1mnk h PRO 37 Cb 0.96 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1mnk h PRO 37 CO 0.32 0.00 -0.05 1.05 -0.23 0.00 0.00 178.00 179.09 1mnk h GLU 38 N 0.00 0.00 0.00 0.86 9.09 -1.92 -1.21 114.58 121.40 1mnk h GLU 38 Ca 0.06 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.43 1mnk h GLU 38 Cb 0.32 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.41 1mnk h GLU 38 CO -0.00 0.05 -0.22 1.79 0.05 0.00 0.00 179.01 180.68 1mnk h THR 39 N 0.00 0.87 -0.70 -1.06 1.35 -1.29 -2.92 112.91 109.17 1mnk h THR 39 Ca -0.00 -0.82 0.06 0.00 -0.55 0.00 0.00 66.41 65.09 1mnk h THR 39 Cb 0.26 1.48 -0.04 0.00 -1.73 0.00 0.00 68.15 68.12 1mnk h THR 39 CO 0.01 0.21 0.46 0.25 -0.25 0.00 0.00 175.52 176.20 1mnk h LEU 40 N 0.00 0.65 -2.21 3.87 5.85 -1.37 -2.53 115.31 119.57 1mnk h LEU 40 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1mnk h LEU 40 Cb 0.47 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1mnk h LEU 40 CO 0.03 0.43 0.00 -0.33 -0.34 0.00 0.00 178.44 178.23 1mnk h GLU 41 N 0.74 0.00 0.00 1.25 4.39 -1.65 -1.72 114.58 117.59 1mnk h GLU 41 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1mnk h GLU 41 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1mnk h GLU 41 CO -0.09 0.00 -0.09 0.87 -1.16 0.00 0.00 179.01 178.53 1mnk h LYS 42 N 0.00 0.00 -4.23 2.33 1.79 -1.64 -3.41 116.57 111.40 1mnk h LYS 42 Ca 0.00 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.74 1mnk h LYS 42 Cb 0.01 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.38 1mnk h LYS 42 CO 0.00 0.00 -0.35 -0.06 -1.08 0.00 0.00 179.45 177.96 1mnk s PHE 43 N -3.21 3.40 0.31 -1.35 0.40 -0.65 -4.92 117.98 111.97 1mnk s PHE 43 Ca 0.07 -1.79 -0.01 0.00 -0.60 0.00 0.00 56.93 54.60 1mnk s PHE 43 Cb 0.07 -3.56 0.47 0.00 0.51 0.00 0.00 43.02 40.51 1mnk s PHE 43 CO 0.67 -1.00 1.96 -0.44 0.70 0.00 0.00 175.22 177.12 1mnk h ASP 44 N 8.49 0.90 0.12 1.36 3.32 -1.81 -0.81 116.42 127.98 1mnk h ASP 44 Ca -0.22 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1mnk h ASP 44 Cb 1.07 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1mnk h ASP 44 CO 0.89 0.67 0.00 0.50 -1.72 0.00 0.00 179.24 179.58 1mnk h LYS 45 N 1.05 0.00 0.00 3.56 3.64 -1.93 -3.10 116.57 119.79 1mnk h LYS 45 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1mnk h LYS 45 Cb -0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1mnk h LYS 45 CO -0.06 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.31 1mnk n PHE 46 N -2.62 0.00 0.31 1.91 3.72 -0.38 -4.83 117.46 115.57 1mnk n PHE 46 Ca -0.02 -0.25 0.19 0.00 -0.05 0.00 0.00 57.45 57.32 1mnk n PHE 46 Cb 0.08 -0.03 1.01 0.00 -0.94 0.00 0.00 39.48 39.60 1mnk n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1mnk h LYS 47 N 0.00 0.00 0.00 -1.08 1.57 -1.29 -2.82 116.57 112.95 1mnk h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mnk h LYS 47 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1mnk h LYS 47 CO 0.00 0.02 0.00 -2.39 -0.57 0.00 0.00 179.45 176.51 1mnk n HIS 48 N -3.32 0.70 -2.89 -1.35 1.44 -1.26 -4.86 115.22 103.67 1mnk n HIS 48 Ca -0.02 0.22 -0.41 0.00 -2.01 0.00 0.00 57.72 55.49 1mnk n HIS 48 Cb 0.13 -0.85 -0.04 0.00 0.12 0.00 0.00 29.99 29.35 1mnk n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mnk s LEU 49 N -4.16 4.17 0.00 2.39 1.43 -1.06 -4.93 118.68 116.51 1mnk s LEU 49 Ca 0.10 1.17 0.18 0.00 -1.03 0.00 0.00 54.13 54.55 1mnk s LEU 49 Cb 0.13 -3.23 -0.15 0.00 0.03 0.00 0.00 46.19 42.97 1mnk s LEU 49 CO 0.54 -0.40 0.79 0.29 0.23 0.00 0.00 176.35 177.79 1mnk n LYS 50 N 5.25 1.29 -3.99 1.70 4.76 -1.26 -5.03 118.16 120.88 1mnk n LYS 50 Ca 0.04 -0.20 -0.11 0.00 -2.87 0.00 0.00 58.31 55.18 1mnk n LYS 50 Cb 0.49 -1.33 -0.03 0.00 -1.84 0.00 0.00 35.03 32.31 1mnk n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1mnk s SER 51 N -2.53 0.21 0.27 4.39 1.04 -1.26 -5.03 113.70 110.79 1mnk s SER 51 Ca 0.09 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 55.41 1mnk s SER 51 Cb 0.14 0.66 0.36 0.00 0.10 0.00 0.00 66.02 67.28 1mnk s SER 51 CO 0.66 -1.29 1.70 -0.08 0.98 0.00 0.00 173.24 175.22 1mnk h GLU 52 N 2.16 0.55 -0.47 4.02 4.81 -1.98 -0.54 114.58 123.13 1mnk h GLU 52 Ca -0.27 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 58.64 1mnk h GLU 52 Cb 1.25 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1mnk h GLU 52 CO 0.37 0.75 -0.12 -0.44 -0.73 0.00 0.00 179.01 178.83 1mnk h ASP 53 N 0.49 0.87 -0.09 1.04 5.19 -1.98 0.16 116.42 122.10 1mnk h ASP 53 Ca 0.07 -0.28 -0.11 0.00 -0.62 0.00 0.00 57.03 56.09 1mnk h ASP 53 Cb 0.67 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1mnk h ASP 53 CO 0.05 1.00 -0.30 -0.33 -3.12 0.00 0.00 179.24 176.53 1mnk h GLU 54 N 0.78 0.56 -0.24 3.56 5.08 -1.91 -1.85 114.58 120.55 1mnk h GLU 54 Ca 0.12 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1mnk h GLU 54 Cb 0.64 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1mnk h GLU 54 CO 0.04 0.80 -0.17 0.52 -1.00 0.00 0.00 179.01 179.21 1mnk h MET 55 N 0.48 0.55 0.00 2.33 2.86 -0.29 -2.69 114.93 118.17 1mnk h MET 55 Ca 0.06 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1mnk h MET 55 Cb 0.77 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1mnk h MET 55 CO 0.06 0.83 -0.24 0.87 1.06 0.00 0.00 176.91 179.50 1mnk h LYS 56 N 0.26 0.00 0.00 1.72 1.57 -0.62 -3.08 116.57 116.42 1mnk h LYS 56 Ca 0.05 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 1mnk h LYS 56 Cb 0.70 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1mnk h LYS 56 CO 0.05 0.24 -1.19 0.00 -0.57 0.00 0.00 179.45 177.97 1mnk h ALA 57 N 1.76 0.64 -2.38 3.86 0.00 -1.30 -3.47 119.26 118.36 1mnk h ALA 57 Ca -0.00 -0.88 -0.53 0.00 0.00 0.00 0.00 54.91 53.50 1mnk h ALA 57 Cb 0.51 0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.49 1mnk h ALA 57 CO 0.03 1.02 1.14 0.45 0.00 0.00 0.00 179.25 181.89 1mnk s SER 58 N -6.13 6.51 0.00 0.00 0.15 -1.02 -4.91 113.70 108.31 1mnk s SER 58 Ca -0.01 2.57 -0.20 0.00 0.70 0.00 0.00 55.95 59.01 1mnk s SER 58 Cb 0.08 -2.54 -0.25 0.00 -1.71 0.00 0.00 66.02 61.60 1mnk s SER 58 CO 0.80 -0.99 1.07 -0.08 1.20 0.00 0.00 173.24 175.24 1mnk h GLU 59 N 9.65 0.41 -0.78 5.44 4.81 -1.91 -3.03 114.58 129.16 1mnk h GLU 59 Ca -0.46 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.30 1mnk h GLU 59 Cb 1.22 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.70 1mnk h GLU 59 CO 0.94 1.14 0.46 -0.44 -0.73 0.00 0.00 179.01 180.38 1mnk h ASP 60 N -0.12 0.96 -0.75 1.04 3.32 -1.98 -1.92 116.42 116.98 1mnk h ASP 60 Ca -0.09 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1mnk h ASP 60 Cb 1.39 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 1mnk h ASP 60 CO 0.13 0.75 0.47 0.25 -1.72 0.00 0.00 179.24 179.12 1mnk h LEU 61 N 1.08 0.88 -0.68 1.55 6.46 -1.89 -1.37 115.31 121.33 1mnk h LEU 61 Ca 0.28 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1mnk h LEU 61 Cb -0.01 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.66 1mnk h LEU 61 CO -0.05 0.67 0.41 0.50 -0.62 0.00 0.00 178.44 179.35 1mnk h LYS 62 N 1.02 0.93 0.29 1.25 3.64 -1.29 -0.59 116.57 121.82 1mnk h LYS 62 Ca 0.27 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1mnk h LYS 62 Cb -0.07 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1mnk h LYS 62 CO -0.05 0.66 -0.14 0.87 -2.27 0.00 0.00 179.45 178.52 1mnk h LYS 63 N 0.93 -0.38 -0.92 1.90 1.57 -1.14 -0.63 116.57 117.91 1mnk h LYS 63 Ca 0.24 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1mnk h LYS 63 Cb -0.03 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1mnk h LYS 63 CO -0.05 -0.12 0.61 0.28 -0.57 0.00 0.00 179.45 179.60 1mnk h VAL 64 N -0.60 1.19 -0.06 0.50 2.07 -1.05 -0.90 116.25 117.40 1mnk h VAL 64 Ca -0.04 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1mnk h VAL 64 Cb 0.43 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1mnk h VAL 64 CO 0.07 0.22 0.03 1.23 0.02 0.00 0.00 177.57 179.14 1mnk h GLY 65 N 1.19 0.08 0.74 2.17 0.00 -0.98 -0.84 103.07 105.44 1mnk h GLY 65 Ca 0.36 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.66 1mnk h GLY 65 CO -0.10 0.03 -0.18 -0.57 0.00 0.00 0.00 176.54 175.72 1mnk h ASN 66 N 0.05 -0.49 -0.13 0.19 -1.24 -0.54 -2.12 115.58 111.30 1mnk h ASN 66 Ca 0.02 0.05 0.04 0.00 0.71 0.00 0.00 56.30 57.12 1mnk h ASN 66 Cb 0.03 0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.21 1mnk h ASN 66 CO -0.00 -0.27 -0.16 0.74 -1.29 0.00 0.00 177.43 176.45 1mnk h THR 67 N -0.38 0.58 -0.34 -3.57 2.02 -1.02 -0.83 112.91 109.36 1mnk h THR 67 Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.25 1mnk h THR 67 Cb 0.37 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1mnk h THR 67 CO -0.07 0.00 0.04 0.74 0.37 0.00 0.00 175.52 176.60 1mnk h THR 68 N -0.20 0.80 0.00 3.16 2.02 -1.01 -2.28 112.91 115.40 1mnk h THR 68 Ca 0.09 -0.05 -0.14 0.00 0.77 0.00 0.00 66.41 67.08 1mnk h THR 68 Cb 0.34 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1mnk h THR 68 CO -0.25 0.03 -0.69 -0.07 0.37 0.00 0.00 175.52 174.91 1mnk h LEU 69 N 0.15 0.00 -0.25 2.58 3.38 -1.01 -2.50 115.31 117.66 1mnk h LEU 69 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1mnk h LEU 69 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1mnk h LEU 69 CO -0.24 0.69 0.07 0.74 0.09 0.00 0.00 178.44 179.79 1mnk h THR 70 N 0.00 1.20 0.19 0.22 2.02 -1.04 -1.13 112.91 114.37 1mnk h THR 70 Ca -0.01 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1mnk h THR 70 Cb 1.45 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1mnk h THR 70 CO 0.09 0.21 -0.11 0.00 0.37 0.00 0.00 175.52 176.08 1mnk h ALA 71 N 0.90 -0.28 -0.40 6.16 0.00 -1.37 -1.51 119.26 122.76 1mnk h ALA 71 Ca 0.08 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1mnk h ALA 71 Cb 0.25 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1mnk h ALA 71 CO -0.00 -0.66 0.13 1.25 0.00 0.00 0.00 179.25 179.97 1mnk h LEU 72 N -0.28 0.13 -1.37 0.00 5.85 -1.38 -1.99 115.31 116.27 1mnk h LEU 72 Ca -0.02 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1mnk h LEU 72 Cb 0.23 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1mnk h LEU 72 CO 0.03 0.11 0.19 1.23 -0.34 0.00 0.00 178.44 179.65 1mnk h GLY 73 N 0.29 0.66 0.91 3.75 0.00 -0.95 -0.99 103.07 106.73 1mnk h GLY 73 Ca 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1mnk h GLY 73 CO -0.20 0.29 0.11 -1.33 0.00 0.00 0.00 176.54 175.41 1mnk h GLY 74 N 0.75 0.54 1.37 4.60 0.00 -0.62 -2.38 103.07 107.32 1mnk h GLY 74 Ca 0.15 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 1mnk h GLY 74 CO -0.02 0.29 -0.38 -2.22 0.00 0.00 0.00 176.54 174.21 1mnk h ILE 75 N 0.37 1.29 -0.58 2.60 2.04 -0.67 -3.20 117.51 119.36 1mnk h ILE 75 Ca 0.11 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 64.36 1mnk h ILE 75 Cb 0.23 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1mnk h ILE 75 CO -0.00 0.50 0.14 -0.07 0.00 0.00 0.00 178.15 178.72 1mnk h LEU 76 N 0.58 0.84 -1.67 1.44 3.38 -1.13 -2.60 115.31 116.14 1mnk h LEU 76 Ca 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1mnk h LEU 76 Cb 0.92 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1mnk h LEU 76 CO 0.08 0.82 0.00 0.11 0.09 0.00 0.00 178.44 179.54 1mnk h LYS 77 N 0.86 0.00 0.00 1.13 1.57 -1.42 -2.01 116.57 116.70 1mnk h LYS 77 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1mnk h LYS 77 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1mnk h LYS 77 CO -0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 1mnk n LYS 78 N -3.07 0.07 -3.88 3.15 4.76 -0.98 -4.96 118.16 113.26 1mnk n LYS 78 Ca 0.00 0.07 -0.25 0.00 -2.87 0.00 0.00 58.31 55.26 1mnk n LYS 78 Cb 0.27 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1mnk n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mnk n LYS 79 N -1.46 -3.30 0.00 1.97 5.02 -0.76 -1.62 118.16 118.02 1mnk n LYS 79 Ca 0.07 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1mnk n LYS 79 Cb 0.27 -4.58 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 1mnk n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mnk n GLY 80 N -1.88 3.33 2.54 0.72 0.00 -1.26 -4.94 105.19 103.70 1mnk n GLY 80 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1mnk n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mnk n HIS 81 N -1.66 2.64 -1.19 1.61 8.25 -0.64 -4.66 115.22 119.58 1mnk n HIS 81 Ca 0.00 -2.76 0.08 0.00 -0.26 0.00 0.00 57.72 54.78 1mnk n HIS 81 Cb 0.00 -1.69 0.18 0.00 1.12 0.00 0.00 29.99 29.60 1mnk n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mnk n HIS 82 N 1.39 0.24 -0.34 4.41 1.44 -1.26 -4.78 115.22 116.32 1mnk n HIS 82 Ca 0.58 -1.12 0.04 0.00 -2.01 0.00 0.00 57.72 55.21 1mnk n HIS 82 Cb 0.25 -0.22 0.19 0.00 0.12 0.00 0.00 29.99 30.34 1mnk n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1mnk h GLU 83 N 0.56 0.95 -0.03 -1.40 3.07 -1.99 -0.32 114.58 115.43 1mnk h GLU 83 Ca 0.02 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1mnk h GLU 83 Cb 1.12 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1mnk h GLU 83 CO 0.07 0.63 0.01 0.00 -1.40 0.00 0.00 179.01 178.32 1mnk h ALA 84 N 1.48 0.04 -0.18 3.43 0.00 -2.00 -1.82 119.26 120.22 1mnk h ALA 84 Ca 0.44 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1mnk h ALA 84 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1mnk h ALA 84 CO -0.23 -0.35 -0.37 0.93 0.00 0.00 0.00 179.25 179.23 1mnk h GLU 85 N -0.15 0.39 0.00 0.00 3.07 -1.89 -3.27 114.58 112.73 1mnk h GLU 85 Ca 0.01 -0.18 -0.15 0.00 -0.50 0.00 0.00 59.36 58.54 1mnk h GLU 85 Cb 0.21 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1mnk h GLU 85 CO -0.00 0.71 -0.74 1.25 -1.40 0.00 0.00 179.01 178.83 1mnk h LEU 86 N 0.33 0.00 0.04 1.33 6.46 -0.90 -3.30 115.31 119.26 1mnk h LEU 86 Ca 0.03 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1mnk h LEU 86 Cb 0.81 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1mnk h LEU 86 CO 0.06 0.74 -0.02 0.74 -0.62 0.00 0.00 178.44 179.34 1mnk h THR 87 N 0.00 0.97 -0.47 1.05 2.02 -1.38 -0.30 112.91 114.80 1mnk h THR 87 Ca -0.01 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 1mnk h THR 87 Cb 1.38 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 1mnk h THR 87 CO 0.10 0.00 0.07 1.55 0.37 0.00 0.00 175.52 177.61 1mnk h PRO 88 N -0.06 0.73 -0.32 6.66 0.13 -1.74 -0.51 132.00 136.90 1mnk h PRO 88 Ca -0.01 -0.16 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 1mnk h PRO 88 Cb 0.04 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.06 1mnk h PRO 88 CO 0.01 0.70 0.07 1.25 -0.23 0.00 0.00 178.00 179.80 1mnk h LEU 89 N 0.70 0.49 -0.55 1.56 5.85 -1.54 0.20 115.31 122.02 1mnk h LEU 89 Ca 0.15 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 1mnk h LEU 89 Cb 0.33 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1mnk h LEU 89 CO 0.01 0.61 0.02 0.00 -0.34 0.00 0.00 178.44 178.73 1mnk h ALA 90 N 0.90 0.73 0.72 1.25 0.00 -0.92 -0.07 119.26 121.87 1mnk h ALA 90 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1mnk h ALA 90 Cb 0.31 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1mnk h ALA 90 CO 0.00 0.54 -0.36 1.96 0.00 0.00 0.00 179.25 181.39 1mnk h GLN 91 N 0.83 -0.95 -0.80 0.00 4.20 -0.90 -0.23 115.11 117.27 1mnk h GLN 91 Ca 0.16 0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1mnk h GLN 91 Cb 0.51 0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 1mnk h GLN 91 CO 0.02 -0.63 0.34 0.66 -0.67 0.00 0.00 178.83 178.56 1mnk h SER 92 N -0.98 1.08 0.17 1.46 4.64 -0.88 -2.27 113.55 116.77 1mnk h SER 92 Ca -0.10 -0.15 -0.18 0.00 -0.47 0.00 0.00 61.79 60.89 1mnk h SER 92 Cb 0.76 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1mnk h SER 92 CO 0.15 0.94 -0.70 0.45 -0.87 0.00 0.00 176.83 176.80 1mnk h HIS 93 N 1.15 0.64 0.00 4.77 3.86 -0.95 0.94 115.15 125.57 1mnk h HIS 93 Ca 0.27 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1mnk h HIS 93 Cb 0.18 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1mnk h HIS 93 CO 0.02 1.03 0.00 0.00 0.86 0.00 0.00 177.93 179.84 1mnk n ALA 94 N -2.52 -0.24 0.12 2.45 0.00 -0.10 0.08 120.51 120.30 1mnk n ALA 94 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 1mnk n ALA 94 Cb 0.69 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.30 1mnk n ALA 94 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1mnk h THR 95 N 0.00 1.43 0.00 0.00 1.35 -1.54 -2.78 112.91 111.38 1mnk h THR 95 Ca 0.00 -2.10 -0.17 0.00 -0.55 0.00 0.00 66.41 63.59 1mnk h THR 95 Cb 0.00 2.12 -0.03 0.00 -1.73 0.00 0.00 68.15 68.51 1mnk h THR 95 CO 0.00 0.60 -1.40 1.17 -0.25 0.00 0.00 175.52 175.64 1mnk n LYS 96 N -3.82 0.32 0.16 4.72 0.00 -0.70 -4.71 118.16 114.14 1mnk n LYS 96 Ca -0.01 0.14 0.12 0.00 0.00 0.00 0.00 58.31 58.55 1mnk n LYS 96 Cb 0.62 -1.05 0.08 0.00 0.00 0.00 0.00 35.03 34.68 1mnk n LYS 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1mnk h HIS 97 N -0.57 0.00 -5.78 5.64 -0.00 -0.95 -3.49 115.15 110.00 1mnk h HIS 97 Ca -0.25 0.00 -0.26 0.00 -0.00 0.00 0.00 60.37 59.86 1mnk h HIS 97 Cb 1.06 0.00 0.09 0.00 -0.00 0.00 0.00 27.41 28.57 1mnk h HIS 97 CO -0.12 0.01 -0.67 1.63 -0.00 0.00 0.00 177.93 178.78 1mnk n LYS 98 N -2.88 -1.61 -3.52 2.45 4.76 0.62 -4.95 118.16 113.03 1mnk n LYS 98 Ca 0.02 0.91 -0.40 0.00 -2.87 0.00 0.00 58.31 55.96 1mnk n LYS 98 Cb 0.55 -4.97 -0.10 0.00 -1.84 0.00 0.00 35.03 28.66 1mnk n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1mnk s ILE 99 N -3.27 5.27 0.73 -0.18 -1.09 0.11 -4.99 121.20 117.78 1mnk s ILE 99 Ca 0.30 -0.11 -0.15 0.00 -2.23 0.00 0.00 60.65 58.47 1mnk s ILE 99 Cb -0.07 -3.70 0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1mnk s ILE 99 CO 0.79 0.02 1.18 -2.16 -1.23 0.00 0.00 174.94 173.55 1mnk s PRO 100 N 1.77 2.18 0.47 2.79 0.04 -1.26 -4.68 135.00 136.32 1mnk s PRO 100 Ca 0.07 1.67 0.23 0.00 0.04 0.00 0.00 61.00 63.01 1mnk s PRO 100 Cb -0.17 -1.85 1.19 0.00 0.04 0.00 0.00 34.50 33.71 1mnk s PRO 100 CO 0.11 -1.78 1.99 -0.24 0.04 0.00 0.00 177.00 177.11 1mnk h VAL 101 N -0.35 0.77 0.00 -0.36 3.04 -1.99 -2.36 116.25 115.00 1mnk h VAL 101 Ca -0.47 -0.76 -0.01 0.00 -1.01 0.00 0.00 66.70 64.45 1mnk h VAL 101 Cb 1.28 1.46 -0.00 0.00 -2.01 0.00 0.00 31.29 32.02 1mnk h VAL 101 CO 0.50 0.19 -0.07 0.07 -1.01 0.00 0.00 177.57 177.25 1mnk h LYS 102 N 0.00 0.00 -0.15 4.17 2.10 -2.00 0.11 116.57 120.80 1mnk h LYS 102 Ca -0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1mnk h LYS 102 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1mnk h LYS 102 CO 0.02 0.07 -0.30 1.88 -2.00 0.00 0.00 179.45 179.12 1mnk h TYR 103 N 0.00 0.32 -0.26 0.07 -1.99 -1.78 0.11 116.97 113.45 1mnk h TYR 103 Ca -0.00 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.57 1mnk h TYR 103 Cb 0.38 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 1mnk h TYR 103 CO 0.00 0.56 -0.23 -0.07 -0.00 0.00 0.00 178.16 178.42 1mnk h LEU 104 N 0.26 0.48 -0.64 3.88 3.38 -0.87 -1.24 115.31 120.56 1mnk h LEU 104 Ca 0.04 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1mnk h LEU 104 Cb 0.66 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1mnk h LEU 104 CO 0.05 0.72 -0.33 -0.33 0.09 0.00 0.00 178.44 178.64 1mnk h GLU 105 N 0.43 0.70 -0.82 1.13 5.08 -0.18 -2.57 114.58 118.35 1mnk h GLU 105 Ca 0.07 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1mnk h GLU 105 Cb 0.64 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1mnk h GLU 105 CO 0.05 0.93 0.52 0.74 -1.00 0.00 0.00 179.01 180.25 1mnk h PHE 106 N 0.59 0.96 -0.05 4.33 0.04 0.26 -2.58 116.94 120.49 1mnk h PHE 106 Ca 0.06 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.74 1mnk h PHE 106 Cb 0.85 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1mnk h PHE 106 CO 0.04 0.53 -0.52 0.97 -0.60 0.00 0.00 178.31 178.73 1mnk h ILE 107 N 0.98 1.36 -0.44 -0.55 2.10 -1.21 -2.51 117.51 117.25 1mnk h ILE 107 Ca 0.34 -1.79 -0.00 0.00 1.08 0.00 0.00 64.86 64.49 1mnk h ILE 107 Cb 0.08 1.91 -0.02 0.00 -1.09 0.00 0.00 36.82 37.70 1mnk h ILE 107 CO -0.14 0.52 0.26 0.28 -1.08 0.00 0.00 178.15 177.99 1mnk h SER 108 N 0.11 0.54 -0.57 2.19 0.02 -1.15 -0.06 113.55 114.63 1mnk h SER 108 Ca 0.00 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 1mnk h SER 108 Cb 0.96 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1mnk h SER 108 CO 0.08 0.45 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.10 1mnk h GLU 109 N 0.58 1.03 -0.79 3.45 4.81 -1.34 -1.83 114.58 120.49 1mnk h GLU 109 Ca 0.16 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1mnk h GLU 109 Cb 0.02 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1mnk h GLU 109 CO -0.03 1.03 0.53 0.00 -0.73 0.00 0.00 179.01 179.81 1mnk h ALA 110 N 0.96 1.44 0.06 2.92 0.00 -1.09 -0.31 119.26 123.24 1mnk h ALA 110 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1mnk h ALA 110 Cb 0.59 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1mnk h ALA 110 CO 0.04 0.52 -0.03 0.82 0.00 0.00 0.00 179.25 180.59 1mnk h ILE 111 N 1.07 1.04 -0.60 0.00 2.04 -0.48 -1.90 117.51 118.67 1mnk h ILE 111 Ca 0.29 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1mnk h ILE 111 Cb -0.12 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1mnk h ILE 111 CO -0.06 0.08 0.39 0.40 0.00 0.00 0.00 178.15 178.96 1mnk h ILE 112 N -0.23 1.13 -0.95 -0.67 2.04 -1.14 0.42 117.51 118.11 1mnk h ILE 112 Ca -0.01 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1mnk h ILE 112 Cb 0.20 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 1mnk h ILE 112 CO 0.01 0.14 0.62 1.56 0.00 0.00 0.00 178.15 180.49 1mnk h GLN 113 N 0.79 1.13 -0.19 2.37 4.20 -0.86 -0.54 115.11 122.00 1mnk h GLN 113 Ca 0.23 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 1mnk h GLN 113 Cb -0.06 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.46 1mnk h GLN 113 CO -0.06 0.74 -0.17 0.28 -0.67 0.00 0.00 178.83 178.95 1mnk h VAL 114 N 1.16 1.33 -0.64 -0.54 2.07 -1.01 -1.41 116.25 117.21 1mnk h VAL 114 Ca 0.39 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1mnk h VAL 114 Cb 0.08 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1mnk h VAL 114 CO -0.13 0.40 0.38 -0.07 0.02 0.00 0.00 177.57 178.16 1mnk h LEU 115 N 0.12 0.78 -0.58 2.57 3.38 -0.46 0.56 115.31 121.67 1mnk h LEU 115 Ca 0.03 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1mnk h LEU 115 Cb 0.71 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1mnk h LEU 115 CO 0.04 0.62 0.31 -0.61 0.09 0.00 0.00 178.44 178.89 1mnk h GLN 116 N 0.87 0.57 -0.04 1.13 5.75 -1.09 0.66 115.11 122.97 1mnk h GLN 116 Ca 0.23 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1mnk h GLN 116 Cb -0.01 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.41 1mnk h GLN 116 CO -0.04 0.38 -0.10 0.77 -2.65 0.00 0.00 178.83 177.19 1mnk h SER 117 N 0.59 0.16 0.78 -0.69 0.02 -0.96 -3.22 113.55 110.23 1mnk h SER 117 Ca 0.26 -0.59 -0.25 0.00 -0.84 0.00 0.00 61.79 60.38 1mnk h SER 117 Cb 0.15 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1mnk h SER 117 CO -0.17 0.72 -1.29 0.11 -1.14 0.00 0.00 176.83 175.06 1mnk h LYS 118 N -0.39 0.02 -2.16 3.45 1.57 0.19 -3.41 116.57 115.84 1mnk h LYS 118 Ca -0.00 -0.04 -0.55 0.00 -1.87 0.00 0.00 60.65 58.19 1mnk h LYS 118 Cb 0.70 0.01 -0.41 0.00 0.08 0.00 0.00 32.23 32.61 1mnk h LYS 118 CO 0.02 0.83 -0.84 0.72 -0.57 0.00 0.00 179.45 179.62 1mnk n HIS 119 N -3.25 2.71 -0.38 -1.35 8.25 0.23 -4.93 115.22 116.50 1mnk n HIS 119 Ca -0.07 -3.91 -0.01 0.00 -0.26 0.00 0.00 57.72 53.47 1mnk n HIS 119 Cb 0.99 -0.46 0.13 0.00 1.12 0.00 0.00 29.99 31.77 1mnk n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mnk h PRO 120 N 2.98 1.28 0.00 -0.41 0.13 -1.70 0.12 132.00 134.40 1mnk h PRO 120 Ca 0.12 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1mnk h PRO 120 Cb 0.68 -0.29 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1mnk h PRO 120 CO 0.71 0.85 0.00 0.78 -0.23 0.00 0.00 178.00 180.11 1mnk h GLY 121 N 1.32 0.00 -0.36 1.56 0.00 -1.91 -2.93 103.07 100.75 1mnk h GLY 121 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1mnk h GLY 121 CO -0.10 0.00 -0.49 1.22 0.00 0.00 0.00 176.54 177.17 1mnk n ASP 122 N -2.66 1.13 -3.38 0.19 8.00 -0.57 -4.63 116.55 114.64 1mnk n ASP 122 Ca 0.02 -1.07 -0.32 0.00 0.71 0.00 0.00 54.79 54.14 1mnk n ASP 122 Cb 0.32 0.72 -0.04 0.00 -0.02 0.00 0.00 41.12 42.11 1mnk n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1mnk n PHE 123 N -0.72 3.44 -1.27 1.24 7.35 0.30 -4.82 117.46 122.98 1mnk n PHE 123 Ca 0.05 -3.61 -0.23 0.00 -0.76 0.00 0.00 57.45 52.90 1mnk n PHE 123 Cb 0.27 -0.74 0.18 0.00 0.35 0.00 0.00 39.48 39.54 1mnk n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mnk n GLY 124 N 0.40 -2.13 0.33 7.13 0.00 -1.26 -4.60 105.19 105.06 1mnk n GLY 124 Ca 0.32 -1.58 0.04 0.00 0.00 0.00 0.00 46.02 44.80 1mnk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mnk h ALA 125 N -2.25 1.30 0.08 4.61 0.00 -1.96 0.79 119.26 121.84 1mnk h ALA 125 Ca -0.32 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1mnk h ALA 125 Cb 0.94 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1mnk h ALA 125 CO 0.22 0.20 -0.04 -0.44 0.00 0.00 0.00 179.25 179.19 1mnk h ASP 126 N 0.92 -0.09 -0.74 0.00 3.32 -1.98 -2.29 116.42 115.55 1mnk h ASP 126 Ca 0.43 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.26 1mnk h ASP 126 Cb 0.35 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1mnk h ASP 126 CO -0.23 0.19 0.48 0.00 -1.72 0.00 0.00 179.24 177.96 1mnk h ALA 127 N 0.50 0.96 -0.17 3.45 0.00 -1.83 -1.02 119.26 121.15 1mnk h ALA 127 Ca -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1mnk h ALA 127 Cb 0.33 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1mnk h ALA 127 CO 0.02 0.29 -0.10 1.96 0.00 0.00 0.00 179.25 181.42 1mnk h GLN 128 N 0.95 -0.09 -0.15 0.00 4.20 -0.78 0.66 115.11 119.88 1mnk h GLN 128 Ca 0.29 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.88 1mnk h GLN 128 Cb -0.03 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1mnk h GLN 128 CO -0.09 -0.06 -0.44 0.78 -0.67 0.00 0.00 178.83 178.35 1mnk h GLY 129 N -0.10 0.40 0.82 3.46 0.00 -1.08 -0.72 103.07 105.86 1mnk h GLY 129 Ca 0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1mnk h GLY 129 CO -0.23 0.37 -0.01 0.00 0.00 0.00 0.00 176.54 176.66 1mnk h ALA 130 N 1.24 0.28 -0.82 3.60 0.00 -0.82 -2.06 119.26 120.68 1mnk h ALA 130 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1mnk h ALA 130 Cb 0.89 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1mnk h ALA 130 CO 0.07 0.02 0.47 1.98 0.00 0.00 0.00 179.25 181.79 1mnk h MET 131 N 0.13 1.13 -0.15 0.00 -1.53 -0.78 -1.51 114.93 112.23 1mnk h MET 131 Ca 0.06 -0.11 -0.11 0.00 -3.44 0.00 0.00 59.70 56.09 1mnk h MET 131 Cb 0.42 -0.23 -0.01 0.00 -0.55 0.00 0.00 31.60 31.23 1mnk h MET 131 CO 0.01 0.81 -0.41 0.77 0.14 0.00 0.00 176.91 178.23 1mnk h SER 132 N 1.14 0.35 -0.21 1.39 0.02 -1.00 -1.08 113.55 114.16 1mnk h SER 132 Ca 0.29 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1mnk h SER 132 Cb -0.01 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1mnk h SER 132 CO -0.05 0.73 -0.21 0.11 -1.14 0.00 0.00 176.83 176.26 1mnk h LYS 133 N 0.28 0.65 -0.73 3.45 1.57 -0.69 -0.41 116.57 120.70 1mnk h LYS 133 Ca 0.03 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1mnk h LYS 133 Cb 0.84 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 1mnk h LYS 133 CO 0.07 0.82 0.20 0.00 -0.57 0.00 0.00 179.45 179.97 1mnk h ALA 134 N 1.19 0.95 0.00 3.86 0.00 -1.03 -1.20 119.26 123.03 1mnk h ALA 134 Ca 0.09 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1mnk h ALA 134 Cb 0.68 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1mnk h ALA 134 CO 0.05 0.66 -0.59 -0.07 0.00 0.00 0.00 179.25 179.30 1mnk h LEU 135 N 1.09 0.00 -0.21 0.00 3.38 -1.01 -2.29 115.31 116.26 1mnk h LEU 135 Ca 0.23 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 1mnk h LEU 135 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1mnk h LEU 135 CO -0.00 0.59 -0.20 -0.08 0.09 0.00 0.00 178.44 178.84 1mnk h GLU 136 N 0.00 0.51 -0.61 1.13 4.81 -0.77 -0.29 114.58 119.36 1mnk h GLU 136 Ca -0.01 -0.27 0.09 0.00 -0.13 0.00 0.00 59.36 59.05 1mnk h GLU 136 Cb 1.10 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 1mnk h GLU 136 CO 0.08 0.85 0.24 1.25 -0.73 0.00 0.00 179.01 180.70 1mnk h LEU 137 N 0.20 0.26 -0.26 1.64 5.85 -1.15 0.32 115.31 122.17 1mnk h LEU 137 Ca 0.04 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1mnk h LEU 137 Cb 0.75 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1mnk h LEU 137 CO 0.05 0.16 0.15 0.15 -0.34 0.00 0.00 178.44 178.61 1mnk h PHE 138 N 0.44 0.29 -0.50 1.25 3.57 -1.22 -1.45 116.94 119.32 1mnk h PHE 138 Ca 0.31 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.72 1mnk h PHE 138 Cb 0.36 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1mnk h PHE 138 CO -0.16 0.17 -0.08 0.00 -2.23 0.00 0.00 178.31 176.02 1mnk h ARG 139 N 0.32 0.89 -0.89 1.11 3.08 -0.20 -1.37 114.38 117.32 1mnk h ARG 139 Ca 0.10 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1mnk h ARG 139 Cb -0.01 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1mnk h ARG 139 CO -0.04 0.94 0.50 -0.91 -1.07 0.00 0.00 179.97 179.39 1mnk h ASN 140 N 0.81 1.10 -0.09 7.04 -0.26 -0.09 -1.84 115.58 122.25 1mnk h ASN 140 Ca 0.14 -0.09 -0.13 0.00 -0.56 0.00 0.00 56.30 55.66 1mnk h ASN 140 Cb 0.59 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1mnk h ASN 140 CO 0.04 0.87 -0.36 0.44 -1.06 0.00 0.00 177.43 177.35 1mnk h ASP 141 N 1.24 0.62 -0.13 5.81 3.32 -0.95 -2.36 116.42 123.97 1mnk h ASP 141 Ca 0.32 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1mnk h ASP 141 Cb 0.00 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1mnk h ASP 141 CO -0.05 0.93 0.06 0.24 -1.72 0.00 0.00 179.24 178.70 1mnk h MET 142 N 0.50 0.19 -0.72 3.56 2.86 -1.05 -2.04 114.93 118.22 1mnk h MET 142 Ca 0.05 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1mnk h MET 142 Cb 0.86 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 1mnk h MET 142 CO 0.07 0.26 0.48 0.00 1.06 0.00 0.00 176.91 178.78 1mnk h ALA 143 N 0.92 1.52 -0.22 6.32 0.00 -1.24 0.43 119.26 126.99 1mnk h ALA 143 Ca 0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1mnk h ALA 143 Cb 0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1mnk h ALA 143 CO -0.01 0.43 -0.17 0.00 0.00 0.00 0.00 179.25 179.51 1mnk h ALA 144 N 1.56 0.32 -0.67 0.00 0.00 -1.32 -2.09 119.26 117.05 1mnk h ALA 144 Ca 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mnk h ALA 144 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1mnk h ALA 144 CO -0.07 0.22 0.43 -0.22 0.00 0.00 0.00 179.25 179.61 1mnk h LYS 145 N 0.19 0.89 -0.66 0.00 1.63 -0.61 -2.42 116.57 115.60 1mnk h LYS 145 Ca 0.04 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1mnk h LYS 145 Cb 0.70 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 1mnk h LYS 145 CO 0.04 0.61 0.41 1.88 -3.45 0.00 0.00 179.45 178.94 1mnk h TYR 146 N 0.90 0.76 -0.47 1.91 -1.99 -0.86 -2.41 116.97 114.82 1mnk h TYR 146 Ca 0.24 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.99 1mnk h TYR 146 Cb -0.07 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.39 1mnk h TYR 146 CO -0.02 0.43 0.29 -0.22 -0.00 0.00 0.00 178.16 178.64 1mnk h LYS 147 N 0.80 0.63 0.00 4.88 3.11 -1.05 0.63 116.57 125.57 1mnk h LYS 147 Ca 0.26 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.97 1mnk h LYS 147 Cb 0.02 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.11 1mnk h LYS 147 CO -0.11 0.46 -0.36 0.93 -2.81 0.00 0.00 179.45 177.56 1mnk h GLU 148 N 0.62 0.00 0.00 1.90 5.08 -1.30 -2.41 114.58 118.47 1mnk h GLU 148 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1mnk h GLU 148 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1mnk h GLU 148 CO -0.03 0.36 0.00 -0.07 -1.00 0.00 0.00 179.01 178.27 1mnk h LEU 149 N 0.00 0.00 0.00 1.33 3.38 -0.92 -3.47 115.31 115.64 1mnk h LEU 149 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mnk h LEU 149 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1mnk h LEU 149 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1mnk n GLY 150 N 0.87 0.78 0.92 0.83 0.00 -0.71 -5.09 105.19 102.79 1mnk n GLY 150 Ca 0.04 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1mnk n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65