#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mno s LEU 2 N 0.00 4.28 0.75 0.99 1.02 -1.26 -5.09 118.68 119.38 1mno s LEU 2 Ca 0.00 0.35 -0.11 0.00 0.02 0.00 0.00 54.13 54.38 1mno s LEU 2 Cb 0.00 -3.09 0.04 0.00 0.02 0.00 0.00 46.19 43.16 1mno s LEU 2 CO 0.00 0.02 1.10 -0.94 0.02 0.00 0.00 176.35 176.55 1mno s SER 3 N -3.00 4.94 0.24 2.29 1.04 -1.26 -4.85 113.70 113.10 1mno s SER 3 Ca 0.37 1.23 -0.06 0.00 0.48 0.00 0.00 55.95 57.97 1mno s SER 3 Cb -0.11 -2.00 0.26 0.00 0.10 0.00 0.00 66.02 64.27 1mno s SER 3 CO 0.28 -1.68 1.90 0.44 0.98 0.00 0.00 173.24 175.17 1mno h ASP 4 N -0.89 1.04 -0.90 7.02 3.32 -1.99 -1.25 116.42 122.77 1mno h ASP 4 Ca -0.46 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.58 1mno h ASP 4 Cb 1.26 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1mno h ASP 4 CO 0.61 0.74 0.59 1.23 -1.72 0.00 0.00 179.24 180.69 1mno h GLY 5 N 1.23 1.28 0.96 2.75 0.00 -2.00 -1.79 103.07 105.50 1mno h GLY 5 Ca 0.36 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 1mno h GLY 5 CO -0.10 0.48 -0.30 0.83 0.00 0.00 0.00 176.54 177.45 1mno h GLU 6 N 1.23 0.68 -0.92 4.80 5.08 -1.79 -2.42 114.58 121.24 1mno h GLU 6 Ca 0.33 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1mno h GLU 6 Cb -0.13 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 1mno h GLU 6 CO -0.07 0.98 0.58 -1.49 -1.00 0.00 0.00 179.01 178.02 1mno h TRP 7 N 0.41 1.08 -0.71 4.33 -0.00 -1.03 -0.38 115.95 119.65 1mno h TRP 7 Ca 0.04 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.90 1mno h TRP 7 Cb 0.88 -0.35 -0.03 0.00 -0.00 0.00 0.00 29.16 29.65 1mno h TRP 7 CO 0.08 0.56 0.20 0.37 -0.00 0.00 0.00 178.44 179.65 1mno h GLN 8 N 1.07 1.11 -0.61 0.49 5.75 -1.15 -0.20 115.11 121.58 1mno h GLN 8 Ca 0.39 -0.25 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 1mno h GLN 8 Cb 0.15 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 1mno h GLN 8 CO -0.17 0.97 0.15 -0.07 -2.65 0.00 0.00 178.83 177.06 1mno h LEU 9 N 1.05 0.90 0.32 -2.39 3.38 -0.97 0.12 115.31 117.71 1mno h LEU 9 Ca 0.23 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1mno h LEU 9 Cb 0.33 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1mno h LEU 9 CO -0.00 0.87 -0.15 0.58 0.09 0.00 0.00 178.44 179.83 1mno h VAL 10 N 0.91 0.71 -0.23 1.22 2.07 -0.48 -2.46 116.25 118.00 1mno h VAL 10 Ca 0.20 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 1mno h VAL 10 Cb 0.33 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1mno h VAL 10 CO 0.00 0.07 -0.15 -0.07 0.02 0.00 0.00 177.57 177.44 1mno h LEU 11 N -0.60 0.37 -0.60 2.57 3.38 -0.98 -0.36 115.31 119.10 1mno h LEU 11 Ca -0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1mno h LEU 11 Cb 0.43 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1mno h LEU 11 CO 0.07 0.55 0.20 0.78 0.09 0.00 0.00 178.44 180.13 1mno h ASN 12 N 0.36 0.86 0.94 -0.43 2.35 -0.86 -1.79 115.58 117.02 1mno h ASN 12 Ca 0.07 -0.20 -0.14 0.00 -0.55 0.00 0.00 56.30 55.48 1mno h ASN 12 Cb 0.48 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1mno h ASN 12 CO 0.03 0.83 -0.67 1.62 -1.65 0.00 0.00 177.43 177.59 1mno h VAL 13 N 0.84 1.31 0.00 2.81 3.04 -1.12 -2.97 116.25 120.17 1mno h VAL 13 Ca 0.19 -2.43 -0.07 0.00 -1.01 0.00 0.00 66.70 63.39 1mno h VAL 13 Cb 0.27 2.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.91 1mno h VAL 13 CO -0.01 0.65 -0.34 -0.25 -1.01 0.00 0.00 177.57 176.61 1mno h TRP 14 N 0.00 0.00 -0.89 3.17 2.91 -0.91 -0.82 115.95 119.40 1mno h TRP 14 Ca -0.01 0.00 0.22 0.00 1.13 0.00 0.00 58.89 60.24 1mno h TRP 14 Cb 1.32 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.91 1mno h TRP 14 CO 0.00 0.34 0.61 0.78 -1.03 0.00 0.00 178.44 179.14 1mno h GLY 15 N 1.06 0.54 2.00 2.65 0.00 -1.15 0.13 103.07 108.31 1mno h GLY 15 Ca -0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 1mno h GLY 15 CO 0.04 -0.01 -0.79 0.50 0.00 0.00 0.00 176.54 176.28 1mno h LYS 16 N 0.24 0.00 -0.28 4.80 1.57 -1.26 -2.53 116.57 119.10 1mno h LYS 16 Ca 0.45 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.11 1mno h LYS 16 Cb 1.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 1mno h LYS 16 CO -0.12 0.79 -0.31 0.28 -0.57 0.00 0.00 179.45 179.52 1mno h VAL 17 N 0.00 1.30 0.00 0.50 2.07 -0.90 -3.12 116.25 116.11 1mno h VAL 17 Ca -0.01 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1mno h VAL 17 Cb 1.47 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1mno h VAL 17 CO 0.10 0.48 0.00 -0.33 0.02 0.00 0.00 177.57 177.84 1mno h GLU 18 N 0.45 0.00 0.00 1.57 5.08 -0.44 0.25 114.58 121.49 1mno h GLU 18 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1mno h GLU 18 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1mno h GLU 18 CO 0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 178.02 1mno n ALA 19 N -1.94 2.44 -2.73 3.43 0.00 -1.04 -4.24 120.51 116.43 1mno n ALA 19 Ca -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 1mno n ALA 19 Cb 0.13 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.21 1mno n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mno n ASP 20 N -1.69 -2.49 0.10 0.00 2.03 0.75 -5.04 116.55 110.22 1mno n ASP 20 Ca 0.06 -2.80 -0.12 0.00 0.52 0.00 0.00 54.79 52.45 1mno n ASP 20 Cb 0.36 1.50 -0.06 0.00 -0.72 0.00 0.00 41.12 42.20 1mno n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mno h VAL 21 N 2.71 0.68 -0.67 5.18 2.07 -1.34 -2.33 116.25 122.55 1mno h VAL 21 Ca -0.15 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1mno h VAL 21 Cb 1.09 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1mno h VAL 21 CO 0.15 0.00 0.29 0.00 0.02 0.00 0.00 177.57 178.04 1mno h ALA 22 N 0.58 0.86 -0.59 1.67 0.00 -1.90 0.15 119.26 120.04 1mno h ALA 22 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1mno h ALA 22 Cb 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1mno h ALA 22 CO -0.06 0.45 0.11 0.78 0.00 0.00 0.00 179.25 180.53 1mno h GLY 23 N 0.93 1.03 1.00 0.00 0.00 -1.91 -0.54 103.07 103.58 1mno h GLY 23 Ca 0.23 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1mno h GLY 23 CO -0.02 0.63 0.28 0.45 0.00 0.00 0.00 176.54 177.87 1mno h HIS 24 N 0.86 0.93 -0.52 5.60 3.86 -1.09 -1.85 115.15 122.94 1mno h HIS 24 Ca 0.18 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1mno h HIS 24 Cb 0.39 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1mno h HIS 24 CO 0.03 0.72 0.16 0.78 0.86 0.00 0.00 177.93 180.48 1mno h GLY 25 N 0.87 0.88 0.70 2.45 0.00 -0.43 -1.23 103.07 106.32 1mno h GLY 25 Ca 0.21 -0.52 0.03 0.00 0.00 0.00 0.00 47.33 47.05 1mno h GLY 25 CO -0.02 0.49 -0.04 -1.61 0.00 0.00 0.00 176.54 175.36 1mno h GLN 26 N 0.72 -0.01 -0.30 4.80 4.15 -1.01 -1.70 115.11 121.77 1mno h GLN 26 Ca 0.17 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.50 1mno h GLN 26 Cb 0.28 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1mno h GLN 26 CO -0.00 -0.00 -0.17 0.93 -1.93 0.00 0.00 178.83 177.65 1mno h GLU 27 N -0.01 0.54 -0.15 1.69 5.08 -0.95 -1.63 114.58 119.15 1mno h GLU 27 Ca 0.07 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1mno h GLU 27 Cb 0.11 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1mno h GLU 27 CO -0.15 0.69 0.07 0.28 -1.00 0.00 0.00 179.01 178.90 1mno h VAL 28 N 0.49 1.14 -0.74 3.13 2.07 -1.05 -0.95 116.25 120.34 1mno h VAL 28 Ca 0.08 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1mno h VAL 28 Cb 0.58 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1mno h VAL 28 CO 0.04 0.13 0.46 -0.07 0.02 0.00 0.00 177.57 178.15 1mno h LEU 29 N 0.11 0.74 -1.14 2.57 3.38 -1.15 -0.39 115.31 119.43 1mno h LEU 29 Ca 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1mno h LEU 29 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1mno h LEU 29 CO -0.01 0.51 -0.41 0.40 0.09 0.00 0.00 178.44 179.03 1mno h ILE 30 N 0.88 1.17 -0.06 1.22 2.04 -1.07 -0.53 117.51 121.15 1mno h ILE 30 Ca 0.30 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 1mno h ILE 30 Cb 0.05 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1mno h ILE 30 CO -0.12 0.40 -0.23 0.03 0.00 0.00 0.00 178.15 178.22 1mno h ARG 31 N 0.00 0.27 -0.05 2.37 2.47 -0.85 -0.72 114.38 117.86 1mno h ARG 31 Ca -0.00 -0.21 0.02 0.00 -1.26 0.00 0.00 59.98 58.53 1mno h ARG 31 Cb 0.78 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 29.08 1mno h ARG 31 CO 0.05 0.84 -0.54 1.25 0.56 0.00 0.00 179.97 182.14 1mno h LEU 32 N -0.25 -1.68 -0.75 3.04 5.85 -0.92 0.74 115.31 121.33 1mno h LEU 32 Ca -0.01 0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1mno h LEU 32 Cb 0.88 0.64 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 1mno h LEU 32 CO 0.05 -0.51 0.18 -0.26 -0.34 0.00 0.00 178.44 177.56 1mno h PHE 33 N -0.64 1.17 -0.01 1.25 0.04 -1.08 0.15 116.94 117.82 1mno h PHE 33 Ca 0.02 -0.13 -0.24 0.00 2.80 0.00 0.00 57.97 60.41 1mno h PHE 33 Cb 0.71 -0.33 0.01 0.00 2.20 0.00 0.00 35.95 38.53 1mno h PHE 33 CO -0.54 0.95 -0.98 0.87 -0.60 0.00 0.00 178.31 178.01 1mno h LYS 34 N 1.07 0.57 -0.30 1.51 1.79 -1.11 -2.96 116.57 117.15 1mno h LYS 34 Ca 0.22 -0.60 -0.17 0.00 -2.18 0.00 0.00 60.65 57.92 1mno h LYS 34 Cb 0.36 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1mno h LYS 34 CO 0.00 1.22 -0.48 0.78 -1.08 0.00 0.00 179.45 179.89 1mno h GLY 35 N 0.80 0.93 -6.46 3.86 0.00 -0.70 -3.39 103.07 98.11 1mno h GLY 35 Ca -0.10 -1.05 -0.59 0.00 0.00 0.00 0.00 47.33 45.58 1mno h GLY 35 CO 0.18 0.94 -0.92 0.30 0.00 0.00 0.00 176.54 177.05 1mno s HIS 36 N -4.19 1.43 0.47 5.60 3.76 0.52 -5.03 115.29 117.85 1mno s HIS 36 Ca -0.11 -2.46 0.28 0.00 -0.15 0.00 0.00 55.06 52.61 1mno s HIS 36 Cb 0.10 -1.16 1.33 0.00 1.11 0.00 0.00 32.58 33.96 1mno s HIS 36 CO 0.88 -0.79 1.79 -1.35 -0.85 0.00 0.00 174.74 174.41 1mno h PRO 37 N 5.61 0.18 0.00 8.40 0.11 -1.73 0.07 132.00 144.65 1mno h PRO 37 Ca 0.25 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 1mno h PRO 37 Cb 0.89 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1mno h PRO 37 CO 0.42 0.12 -0.11 1.05 -0.21 0.00 0.00 178.00 179.27 1mno h GLU 38 N 0.19 0.00 -0.20 1.05 9.09 -1.93 -2.67 114.58 120.10 1mno h GLU 38 Ca 0.58 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.96 1mno h GLU 38 Cb 1.90 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.98 1mno h GLU 38 CO -0.16 0.11 -0.01 1.79 0.05 0.00 0.00 179.01 180.79 1mno h THR 39 N 0.00 1.14 0.00 -1.06 1.35 -1.31 -2.68 112.91 110.35 1mno h THR 39 Ca -0.00 -0.53 -0.02 0.00 -0.55 0.00 0.00 66.41 65.31 1mno h THR 39 Cb 0.32 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1mno h THR 39 CO 0.01 0.18 -0.10 0.25 -0.25 0.00 0.00 175.52 175.61 1mno h LEU 40 N 0.29 0.00 -2.06 3.87 5.85 -1.64 -1.75 115.31 119.86 1mno h LEU 40 Ca 0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1mno h LEU 40 Cb 0.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1mno h LEU 40 CO 0.01 0.10 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.84 1mno h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.63 -1.22 114.58 118.06 1mno h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mno h GLU 41 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1mno h GLU 41 CO 0.01 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.69 1mno n LYS 42 N -3.23 0.18 -3.52 2.33 4.76 -0.66 -4.49 118.16 113.54 1mno n LYS 42 Ca -0.01 0.27 -0.41 0.00 -2.87 0.00 0.00 58.31 55.29 1mno n LYS 42 Cb 0.22 -1.77 -0.08 0.00 -1.84 0.00 0.00 35.03 31.56 1mno n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mno s PHE 43 N -3.16 3.42 0.30 2.13 0.40 -0.46 -4.93 117.98 115.68 1mno s PHE 43 Ca 0.08 -1.85 -0.01 0.00 -0.60 0.00 0.00 56.93 54.55 1mno s PHE 43 Cb 0.12 -3.54 0.48 0.00 0.51 0.00 0.00 43.02 40.59 1mno s PHE 43 CO 0.48 -0.99 1.96 -0.44 0.70 0.00 0.00 175.22 176.93 1mno h ASP 44 N 8.42 0.92 0.42 1.36 3.32 -1.82 -0.20 116.42 128.83 1mno h ASP 44 Ca -0.20 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1mno h ASP 44 Cb 1.07 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1mno h ASP 44 CO 0.87 0.65 -0.01 0.11 -1.72 0.00 0.00 179.24 179.14 1mno h LYS 45 N 1.08 0.00 -0.21 3.56 1.57 -1.94 -3.26 116.57 117.37 1mno h LYS 45 Ca 0.32 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1mno h LYS 45 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1mno h LYS 45 CO -0.09 0.01 -0.04 1.19 -0.57 0.00 0.00 179.45 179.96 1mno n PHE 46 N -3.13 0.71 0.38 -1.35 3.72 -0.09 -4.79 117.46 112.91 1mno n PHE 46 Ca -0.02 -1.08 -0.15 0.00 -0.05 0.00 0.00 57.45 56.15 1mno n PHE 46 Cb 0.17 -0.31 -0.07 0.00 -0.94 0.00 0.00 39.48 38.33 1mno n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1mno h LYS 47 N 1.17 -0.93 0.00 -1.08 1.79 -1.60 -2.88 116.57 113.03 1mno h LYS 47 Ca 0.05 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1mno h LYS 47 Cb 1.37 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 32.23 1mno h LYS 47 CO 0.20 -0.62 0.46 -2.39 -1.08 0.00 0.00 179.45 176.01 1mno n HIS 48 N -4.68 0.00 -2.98 -1.35 1.44 -1.26 -4.26 115.22 102.13 1mno n HIS 48 Ca -0.12 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.17 1mno n HIS 48 Cb 0.38 -0.04 -0.05 0.00 0.12 0.00 0.00 29.99 30.40 1mno n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mno s LEU 49 N -2.08 4.16 0.00 2.39 1.43 -1.09 -4.90 118.68 118.59 1mno s LEU 49 Ca 0.00 0.29 0.12 0.00 -1.03 0.00 0.00 54.13 53.51 1mno s LEU 49 Cb 0.00 -2.99 0.17 0.00 0.03 0.00 0.00 46.19 43.40 1mno s LEU 49 CO 0.00 -0.73 1.01 0.29 0.23 0.00 0.00 176.35 177.15 1mno n LYS 50 N 6.39 1.36 -3.65 1.70 4.76 -1.26 -4.97 118.16 122.49 1mno n LYS 50 Ca 0.02 -1.50 -0.09 0.00 -2.87 0.00 0.00 58.31 53.88 1mno n LYS 50 Cb 0.48 -1.25 -0.02 0.00 -1.84 0.00 0.00 35.03 32.40 1mno n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1mno s SER 51 N -1.01 -0.38 0.28 4.39 1.04 -1.26 -5.00 113.70 111.75 1mno s SER 51 Ca 0.18 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.34 1mno s SER 51 Cb 0.11 0.63 0.40 0.00 0.10 0.00 0.00 66.02 67.27 1mno s SER 51 CO 0.16 -1.11 1.69 -0.08 0.98 0.00 0.00 173.24 174.89 1mno h GLU 52 N 2.00 0.39 -0.67 4.02 4.81 -1.98 -0.55 114.58 122.59 1mno h GLU 52 Ca -0.26 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1mno h GLU 52 Cb 1.27 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1mno h GLU 52 CO 0.30 0.69 0.29 -0.44 -0.73 0.00 0.00 179.01 179.11 1mno h ASP 53 N 0.33 0.89 -0.30 1.04 3.32 -1.99 0.12 116.42 119.83 1mno h ASP 53 Ca 0.04 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 1mno h ASP 53 Cb 0.76 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1mno h ASP 53 CO 0.06 0.78 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.71 1mno h GLU 54 N 0.96 0.75 -0.90 3.56 5.08 -1.75 -2.49 114.58 119.80 1mno h GLU 54 Ca 0.23 -0.40 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1mno h GLU 54 Cb 0.16 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1mno h GLU 54 CO -0.02 1.03 0.59 0.52 -1.00 0.00 0.00 179.01 180.12 1mno h MET 55 N 0.51 1.13 -0.26 2.33 2.86 -0.86 -2.44 114.93 118.19 1mno h MET 55 Ca 0.05 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1mno h MET 55 Cb 0.90 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1mno h MET 55 CO 0.08 0.75 -0.07 0.87 1.06 0.00 0.00 176.91 179.60 1mno h LYS 56 N 1.17 0.42 0.00 1.72 1.57 -0.52 -2.98 116.57 117.95 1mno h LYS 56 Ca 0.35 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1mno h LYS 56 Cb -0.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1mno h LYS 56 CO -0.10 0.50 -0.23 0.00 -0.57 0.00 0.00 179.45 179.05 1mno h ALA 57 N 1.54 0.88 -1.99 3.86 0.00 -1.33 -3.46 119.26 118.76 1mno h ALA 57 Ca 0.08 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.42 1mno h ALA 57 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1mno h ALA 57 CO 0.02 0.00 1.28 0.45 0.00 0.00 0.00 179.25 180.99 1mno s SER 58 N -5.66 6.00 0.20 0.00 0.15 -0.93 -4.86 113.70 108.60 1mno s SER 58 Ca 0.06 1.67 0.02 0.00 0.70 0.00 0.00 55.95 58.40 1mno s SER 58 Cb 0.08 -2.52 0.13 0.00 -1.71 0.00 0.00 66.02 61.99 1mno s SER 58 CO 0.68 -1.56 1.48 1.05 1.20 0.00 0.00 173.24 176.09 1mno h GLU 59 N 12.49 0.29 -0.29 5.44 4.11 -1.89 -2.68 114.58 132.05 1mno h GLU 59 Ca -0.37 -0.23 -0.07 0.00 0.07 0.00 0.00 59.36 58.76 1mno h GLU 59 Cb 1.19 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1mno h GLU 59 CO 1.00 0.87 -0.12 -0.44 0.07 0.00 0.00 179.01 180.40 1mno h ASP 60 N 0.20 0.47 -0.16 3.06 3.32 -1.97 -1.41 116.42 119.93 1mno h ASP 60 Ca -0.02 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1mno h ASP 60 Cb 1.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1mno h ASP 60 CO 0.11 0.62 0.06 0.25 -1.72 0.00 0.00 179.24 178.56 1mno h LEU 61 N 0.45 0.22 -1.15 1.55 6.46 -1.84 -1.93 115.31 119.07 1mno h LEU 61 Ca 0.08 -0.17 0.04 0.00 -0.12 0.00 0.00 57.88 57.71 1mno h LEU 61 Cb 0.47 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 1mno h LEU 61 CO 0.03 0.33 0.58 0.50 -0.62 0.00 0.00 178.44 179.26 1mno h LYS 62 N 0.09 1.06 -0.42 1.25 3.64 -1.18 0.12 116.57 121.14 1mno h LYS 62 Ca 0.05 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1mno h LYS 62 Cb 0.18 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1mno h LYS 62 CO -0.00 0.70 -0.12 0.87 -2.27 0.00 0.00 179.45 178.63 1mno h LYS 63 N 1.10 0.82 -0.63 1.90 1.57 -1.12 -1.57 116.57 118.63 1mno h LYS 63 Ca 0.36 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1mno h LYS 63 Cb 0.05 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1mno h LYS 63 CO -0.11 0.95 0.12 1.25 -0.57 0.00 0.00 179.45 181.09 1mno h HIS 64 N 0.64 1.09 -0.81 -1.35 2.76 -1.03 -0.96 115.15 115.49 1mno h HIS 64 Ca 0.10 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 1mno h HIS 64 Cb 0.66 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 1mno h HIS 64 CO 0.05 0.93 0.42 0.78 -1.30 0.00 0.00 177.93 178.81 1mno h GLY 65 N 0.95 1.23 0.99 5.26 0.00 -0.72 -0.91 103.07 109.87 1mno h GLY 65 Ca 0.19 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1mno h GLY 65 CO 0.01 0.55 0.14 -0.57 0.00 0.00 0.00 176.54 176.68 1mno h ASN 66 N 1.14 0.26 -0.45 0.19 -0.73 -1.15 -0.88 115.58 113.97 1mno h ASN 66 Ca 0.28 -0.02 0.03 0.00 1.87 0.00 0.00 56.30 58.46 1mno h ASN 66 Cb 0.07 -0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.55 1mno h ASN 66 CO -0.04 0.21 0.23 0.74 -0.37 0.00 0.00 177.43 178.20 1mno h THR 67 N 0.29 0.99 0.79 -3.57 2.02 -0.94 -0.16 112.91 112.33 1mno h THR 67 Ca 0.08 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1mno h THR 67 Cb -0.01 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1mno h THR 67 CO -0.02 0.09 -0.38 -1.13 0.37 0.00 0.00 175.52 174.45 1mno h ASN 68 N 0.47 -0.89 0.37 4.18 -0.73 -1.05 -2.36 115.58 115.56 1mno h ASN 68 Ca 0.19 0.02 -0.08 0.00 1.87 0.00 0.00 56.30 58.30 1mno h ASN 68 Cb 0.08 0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 1mno h ASN 68 CO -0.12 -0.61 -0.36 -0.07 -0.37 0.00 0.00 177.43 175.90 1mno h LEU 69 N -1.10 0.00 -0.73 0.34 3.38 -1.06 -1.49 115.31 114.65 1mno h LEU 69 Ca -0.11 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1mno h LEU 69 Cb 0.82 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1mno h LEU 69 CO 0.18 0.36 0.48 0.74 0.09 0.00 0.00 178.44 180.29 1mno h THR 70 N 0.00 1.18 -0.38 0.22 2.02 -0.98 -1.03 112.91 113.94 1mno h THR 70 Ca -0.00 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 1mno h THR 70 Cb 0.64 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1mno h THR 70 CO 0.05 0.18 -0.00 0.00 0.37 0.00 0.00 175.52 176.11 1mno h ALA 71 N 1.27 0.51 -0.48 6.16 0.00 -0.87 -1.86 119.26 123.98 1mno h ALA 71 Ca 0.27 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1mno h ALA 71 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1mno h ALA 71 CO -0.06 0.28 0.26 1.25 0.00 0.00 0.00 179.25 180.98 1mno h LEU 72 N 0.49 0.38 -0.39 0.00 5.85 -1.10 -1.65 115.31 118.89 1mno h LEU 72 Ca 0.11 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1mno h LEU 72 Cb 0.47 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1mno h LEU 72 CO 0.02 0.27 -0.04 1.23 -0.34 0.00 0.00 178.44 179.58 1mno h GLY 73 N 0.51 0.35 0.77 3.75 0.00 -1.04 0.39 103.07 107.79 1mno h GLY 73 Ca 0.21 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.67 1mno h GLY 73 CO -0.13 -0.12 0.60 -1.33 0.00 0.00 0.00 176.54 175.57 1mno h GLY 74 N 0.06 1.42 0.74 4.60 0.00 -0.67 -1.57 103.07 107.65 1mno h GLY 74 Ca 0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1mno h GLY 74 CO -0.35 0.33 0.00 -2.22 0.00 0.00 0.00 176.54 174.31 1mno h ILE 75 N 1.12 1.25 -1.00 2.60 2.04 -0.55 -3.23 117.51 119.75 1mno h ILE 75 Ca 0.40 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.53 1mno h ILE 75 Cb 0.12 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 1mno h ILE 75 CO -0.16 0.21 0.66 -0.07 0.00 0.00 0.00 178.15 178.79 1mno h LEU 76 N -0.16 1.10 -2.28 1.44 3.38 -0.62 -1.13 115.31 117.04 1mno h LEU 76 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1mno h LEU 76 Cb 0.33 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1mno h LEU 76 CO 0.00 0.75 -0.03 0.11 0.09 0.00 0.00 178.44 179.37 1mno h LYS 77 N 1.27 0.00 -0.00 1.13 1.57 -1.33 -0.27 116.57 118.94 1mno h LYS 77 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1mno h LYS 77 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1mno h LYS 77 CO -0.12 0.03 -0.05 1.63 -0.57 0.00 0.00 179.45 180.36 1mno n LYS 78 N -3.26 0.75 0.00 3.15 4.76 -0.43 -4.99 118.16 118.14 1mno n LYS 78 Ca -0.02 -0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 1mno n LYS 78 Cb 0.18 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1mno n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mno n LYS 79 N -0.97 0.00 0.00 1.97 5.02 -0.11 -1.69 118.16 122.38 1mno n LYS 79 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1mno n LYS 79 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 1mno n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mno n GLY 80 N 0.00 0.12 2.45 0.72 0.00 -1.26 -4.24 105.19 102.98 1mno n GLY 80 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1mno n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mno n HIS 81 N -0.09 -1.37 -1.04 1.61 8.25 -0.68 -4.93 115.22 116.96 1mno n HIS 81 Ca 0.00 -2.96 0.09 0.00 -0.26 0.00 0.00 57.72 54.59 1mno n HIS 81 Cb 0.05 0.55 0.21 0.00 1.12 0.00 0.00 29.99 31.93 1mno n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mno n HIS 82 N 0.57 0.55 -0.18 4.41 1.44 -1.26 -4.76 115.22 115.98 1mno n HIS 82 Ca 0.16 -0.95 -0.01 0.00 -2.01 0.00 0.00 57.72 54.91 1mno n HIS 82 Cb 0.66 -0.25 0.09 0.00 0.12 0.00 0.00 29.99 30.60 1mno n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1mno h GLU 83 N 1.04 0.28 -0.78 -1.40 4.22 -1.96 0.28 114.58 116.25 1mno h GLU 83 Ca 0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.39 1mno h GLU 83 Cb 1.26 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1mno h GLU 83 CO 0.13 0.18 0.32 0.00 -2.18 0.00 0.00 179.01 177.46 1mno h ALA 84 N 1.42 1.10 -0.03 2.92 0.00 -2.02 -0.58 119.26 122.07 1mno h ALA 84 Ca 0.28 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1mno h ALA 84 Cb 0.38 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1mno h ALA 84 CO -0.34 0.65 -0.92 0.93 0.00 0.00 0.00 179.25 179.57 1mno h GLU 85 N 1.12 0.51 -0.21 0.00 3.07 -1.75 -3.36 114.58 113.96 1mno h GLU 85 Ca 0.26 -0.51 -0.19 0.00 -0.50 0.00 0.00 59.36 58.42 1mno h GLU 85 Cb 0.20 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1mno h GLU 85 CO -0.02 1.15 -0.60 1.25 -1.40 0.00 0.00 179.01 179.38 1mno h LEU 86 N 0.30 0.90 -0.21 1.33 6.46 -0.03 -3.36 115.31 120.70 1mno h LEU 86 Ca -0.08 -0.58 0.05 0.00 -0.12 0.00 0.00 57.88 57.15 1mno h LEU 86 Cb 1.55 -0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 41.14 1mno h LEU 86 CO 0.17 1.32 -0.40 0.74 -0.62 0.00 0.00 178.44 179.64 1mno h THR 87 N 0.52 0.16 -0.83 1.05 2.02 -1.27 -0.42 112.91 114.15 1mno h THR 87 Ca -0.02 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.32 1mno h THR 87 Cb 1.22 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 1mno h THR 87 CO 0.13 0.00 0.54 1.55 0.37 0.00 0.00 175.52 178.11 1mno h PRO 88 N -0.43 0.51 -0.14 6.66 0.13 -1.77 0.38 132.00 137.35 1mno h PRO 88 Ca 0.10 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 1mno h PRO 88 Cb 0.60 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1mno h PRO 88 CO -0.44 0.34 -0.24 1.25 -0.23 0.00 0.00 178.00 178.68 1mno h LEU 89 N 0.53 0.46 -1.05 1.56 5.85 -1.51 -0.93 115.31 120.22 1mno h LEU 89 Ca 0.41 -0.54 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1mno h LEU 89 Cb 0.83 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1mno h LEU 89 CO -0.16 0.91 0.44 0.00 -0.34 0.00 0.00 178.44 179.29 1mno h ALA 90 N 0.56 1.28 0.61 1.25 0.00 -0.32 -0.35 119.26 122.28 1mno h ALA 90 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1mno h ALA 90 Cb 0.82 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1mno h ALA 90 CO 0.05 0.59 -0.29 1.96 0.00 0.00 0.00 179.25 181.56 1mno h GLN 91 N 1.11 -0.79 -0.11 0.00 4.20 -0.09 0.50 115.11 119.93 1mno h GLN 91 Ca 0.28 0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.98 1mno h GLN 91 Cb 0.02 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1mno h GLN 91 CO -0.05 -0.51 -0.24 0.66 -0.67 0.00 0.00 178.83 178.03 1mno h SER 92 N -0.87 0.18 0.93 1.46 4.64 -1.02 -1.53 113.55 117.34 1mno h SER 92 Ca -0.08 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 60.97 1mno h SER 92 Cb 0.65 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1mno h SER 92 CO 0.14 0.43 -1.12 0.45 -0.87 0.00 0.00 176.83 175.86 1mno h HIS 93 N 0.17 0.00 -0.06 4.77 3.86 -0.77 -1.55 115.15 121.58 1mno h HIS 93 Ca 0.03 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.04 1mno h HIS 93 Cb 0.53 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 1mno h HIS 93 CO 0.01 0.91 -0.81 0.00 0.86 0.00 0.00 177.93 178.90 1mno h ALA 94 N 1.09 0.49 -1.55 2.45 0.00 0.12 -2.10 119.26 119.75 1mno h ALA 94 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1mno h ALA 94 Cb 1.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1mno h ALA 94 CO 0.11 0.78 0.00 0.25 0.00 0.00 0.00 179.25 180.38 1mno n THR 95 N -3.81 0.00 -0.13 0.00 -2.24 -0.59 -4.39 114.28 103.12 1mno n THR 95 Ca -0.05 0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.91 1mno n THR 95 Cb 0.76 -1.19 0.11 0.00 -2.10 0.00 0.00 70.33 67.91 1mno n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1mno h LYS 96 N 0.00 0.86 0.00 -0.78 1.57 -1.67 -3.30 116.57 113.26 1mno h LYS 96 Ca 0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1mno h LYS 96 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1mno h LYS 96 CO 0.00 0.89 -0.89 0.72 -0.57 0.00 0.00 179.45 179.59 1mno n HIS 97 N -4.18 0.52 -3.59 -1.35 8.25 -0.62 -4.98 115.22 109.27 1mno n HIS 97 Ca 0.02 0.15 -0.21 0.00 -0.26 0.00 0.00 57.72 57.42 1mno n HIS 97 Cb 0.34 -0.63 0.05 0.00 1.12 0.00 0.00 29.99 30.86 1mno n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1mno n LYS 98 N -2.18 -4.05 -3.55 -0.41 5.02 -1.14 -4.95 118.16 106.90 1mno n LYS 98 Ca 0.02 0.66 -0.41 0.00 -2.02 0.00 0.00 58.31 56.57 1mno n LYS 98 Cb 0.46 -5.20 -0.11 0.00 -0.02 0.00 0.00 35.03 30.17 1mno n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1mno s ILE 99 N -3.55 5.07 0.55 -0.18 -1.09 -0.80 -5.07 121.20 116.13 1mno s ILE 99 Ca 0.16 -0.42 -0.18 0.00 -2.23 0.00 0.00 60.65 57.97 1mno s ILE 99 Cb -0.04 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1mno s ILE 99 CO 0.80 -0.08 1.09 -2.16 -1.23 0.00 0.00 174.94 173.36 1mno s PRO 100 N 1.67 3.37 0.29 2.79 0.04 -1.26 -4.73 135.00 137.17 1mno s PRO 100 Ca 0.05 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.58 1mno s PRO 100 Cb -0.18 -2.02 0.65 0.00 0.04 0.00 0.00 34.50 32.99 1mno s PRO 100 CO 0.09 -0.80 1.79 0.28 0.04 0.00 0.00 177.00 178.40 1mno h VAL 101 N 1.00 0.77 -0.84 -0.36 2.07 -1.87 0.16 116.25 117.18 1mno h VAL 101 Ca -0.49 -0.27 0.16 0.00 0.82 0.00 0.00 66.70 66.92 1mno h VAL 101 Cb 1.24 -0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1mno h VAL 101 CO 0.57 0.15 0.56 0.50 0.02 0.00 0.00 177.57 179.36 1mno h LYS 102 N 0.80 0.49 -0.04 1.57 3.64 -1.93 0.15 116.57 121.25 1mno h LYS 102 Ca 0.53 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.74 1mno h LYS 102 Cb 0.74 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1mno h LYS 102 CO -0.35 0.32 -0.62 1.88 -2.27 0.00 0.00 179.45 178.42 1mno h TYR 103 N 0.50 0.20 0.00 1.91 -1.99 -1.04 -2.48 116.97 114.07 1mno h TYR 103 Ca 0.43 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 61.07 1mno h TYR 103 Cb 0.91 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.60 1mno h TYR 103 CO -0.00 0.73 -0.03 -0.07 -0.00 0.00 0.00 178.16 178.79 1mno h LEU 104 N 0.11 0.00 -0.30 3.88 3.38 -0.59 -0.60 115.31 121.19 1mno h LEU 104 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1mno h LEU 104 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1mno h LEU 104 CO 0.09 0.03 -0.68 -0.33 0.09 0.00 0.00 178.44 177.64 1mno h GLU 105 N 0.00 0.70 -0.41 1.13 5.08 -1.11 -1.82 114.58 118.15 1mno h GLU 105 Ca -0.00 -0.52 -0.09 0.00 -1.00 0.00 0.00 59.36 57.75 1mno h GLU 105 Cb 0.05 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1mno h GLU 105 CO 0.00 1.13 -0.10 0.74 -1.00 0.00 0.00 179.01 179.79 1mno h PHE 106 N 0.50 0.88 0.00 4.33 0.04 -1.04 -2.05 116.94 119.59 1mno h PHE 106 Ca -0.02 -0.19 -0.11 0.00 2.80 0.00 0.00 57.97 60.45 1mno h PHE 106 Cb 1.28 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 1mno h PHE 106 CO 0.07 0.91 -0.52 0.97 -0.60 0.00 0.00 178.31 179.13 1mno h ILE 107 N 0.60 1.24 -0.85 -0.55 2.10 -1.02 -1.92 117.51 117.11 1mno h ILE 107 Ca 0.10 -1.87 -0.00 0.00 1.08 0.00 0.00 64.86 64.18 1mno h ILE 107 Cb 0.62 2.04 -0.04 0.00 -1.09 0.00 0.00 36.82 38.35 1mno h ILE 107 CO 0.04 0.51 0.53 0.28 -1.08 0.00 0.00 178.15 178.43 1mno h SER 108 N 0.00 1.01 -0.26 2.19 0.02 -1.07 0.89 113.55 116.32 1mno h SER 108 Ca -0.01 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1mno h SER 108 Cb 1.00 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1mno h SER 108 CO 0.07 0.76 0.17 -0.33 -1.14 0.00 0.00 176.83 176.36 1mno h GLU 109 N 1.17 0.34 -0.49 3.45 5.08 -1.17 -1.99 114.58 120.97 1mno h GLU 109 Ca 0.31 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1mno h GLU 109 Cb -0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1mno h GLU 109 CO -0.06 0.23 0.13 0.00 -1.00 0.00 0.00 179.01 178.31 1mno h ALA 110 N 1.10 1.30 -0.13 3.43 0.00 -0.71 0.10 119.26 124.36 1mno h ALA 110 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1mno h ALA 110 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1mno h ALA 110 CO -0.02 0.49 0.07 0.82 0.00 0.00 0.00 179.25 180.61 1mno h ILE 111 N 0.72 1.09 -0.46 0.00 2.04 -0.38 -0.36 117.51 120.16 1mno h ILE 111 Ca 0.16 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1mno h ILE 111 Cb 0.25 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1mno h ILE 111 CO -0.00 0.08 0.25 0.40 0.00 0.00 0.00 178.15 178.88 1mno h ILE 112 N 0.12 1.16 -0.77 -0.67 1.08 -1.05 -1.91 117.51 115.47 1mno h ILE 112 Ca 0.05 -0.41 -0.06 0.00 -0.39 0.00 0.00 64.86 64.05 1mno h ILE 112 Cb 0.07 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.38 1mno h ILE 112 CO -0.01 0.17 0.26 1.56 -0.69 0.00 0.00 178.15 179.44 1mno h GLN 113 N 0.60 1.18 -0.52 2.37 4.20 -0.48 -0.44 115.11 122.01 1mno h GLN 113 Ca 0.16 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1mno h GLN 113 Cb 0.05 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1mno h GLN 113 CO -0.03 0.99 0.34 0.28 -0.67 0.00 0.00 178.83 179.74 1mno h VAL 114 N 1.13 1.14 -0.89 -0.54 2.07 -0.85 0.12 116.25 118.44 1mno h VAL 114 Ca 0.25 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1mno h VAL 114 Cb 0.29 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1mno h VAL 114 CO -0.01 0.14 0.58 -0.07 0.02 0.00 0.00 177.57 178.23 1mno h LEU 115 N 0.71 0.96 -0.39 2.57 3.38 -1.01 0.71 115.31 122.24 1mno h LEU 115 Ca 0.19 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 1mno h LEU 115 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1mno h LEU 115 CO -0.04 0.66 -0.31 -0.61 0.09 0.00 0.00 178.44 178.23 1mno h GLN 116 N 1.12 0.90 -0.22 1.13 5.75 -0.93 0.14 115.11 122.99 1mno h GLN 116 Ca 0.36 -0.44 -0.18 0.00 -0.15 0.00 0.00 58.65 58.23 1mno h GLN 116 Cb 0.01 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 1mno h GLN 116 CO -0.12 1.10 -0.59 1.03 -2.65 0.00 0.00 178.83 177.59 1mno h SER 117 N 0.71 0.83 0.91 -0.69 0.87 -0.43 -3.03 113.55 112.72 1mno h SER 117 Ca 0.07 -0.46 -0.16 0.00 -1.23 0.00 0.00 61.79 60.01 1mno h SER 117 Cb 0.89 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1mno h SER 117 CO 0.08 1.23 -1.17 0.11 -0.53 0.00 0.00 176.83 176.55 1mno h LYS 118 N 0.55 0.00 -1.28 2.24 1.57 -0.86 -3.39 116.57 115.40 1mno h LYS 118 Ca -0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.35 1mno h LYS 118 Cb 1.18 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.09 1mno h LYS 118 CO 0.12 0.39 -1.09 0.72 -0.57 0.00 0.00 179.45 179.02 1mno n HIS 119 N -3.01 1.56 -0.23 -1.35 8.25 0.47 -4.92 115.22 115.99 1mno n HIS 119 Ca -0.06 -3.03 0.13 0.00 -0.26 0.00 0.00 57.72 54.49 1mno n HIS 119 Cb 0.83 -0.33 0.41 0.00 1.12 0.00 0.00 29.99 32.02 1mno n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mno h PRO 120 N 2.92 0.60 -0.43 -0.41 0.13 -1.67 0.52 132.00 133.66 1mno h PRO 120 Ca 0.01 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.03 1mno h PRO 120 Cb 1.08 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1mno h PRO 120 CO 0.58 0.39 -0.04 0.78 -0.23 0.00 0.00 178.00 179.49 1mno h GLY 121 N 0.61 0.84 -0.22 1.56 0.00 -1.91 -3.06 103.07 100.90 1mno h GLY 121 Ca 0.41 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1mno h GLY 121 CO -0.17 0.60 -0.19 1.22 0.00 0.00 0.00 176.54 177.99 1mno n ASP 122 N -4.37 1.38 -3.20 0.19 8.00 -0.66 -4.47 116.55 113.42 1mno n ASP 122 Ca -0.00 -1.19 -0.29 0.00 0.71 0.00 0.00 54.79 54.01 1mno n ASP 122 Cb 0.32 0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.50 1mno n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1mno n PHE 123 N -0.23 3.74 -0.87 1.24 7.35 0.09 -4.89 117.46 123.88 1mno n PHE 123 Ca 0.14 -3.86 -0.07 0.00 -0.76 0.00 0.00 57.45 52.90 1mno n PHE 123 Cb 0.38 -0.61 0.05 0.00 0.35 0.00 0.00 39.48 39.65 1mno n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mno n GLY 124 N 0.19 -1.98 0.17 7.13 0.00 -1.26 -4.60 105.19 104.84 1mno n GLY 124 Ca 0.32 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 1mno n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mno h ALA 125 N -2.08 0.50 -0.37 4.61 0.00 -1.97 -0.58 119.26 119.36 1mno h ALA 125 Ca -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1mno h ALA 125 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1mno h ALA 125 CO 0.07 -0.08 0.09 -0.44 0.00 0.00 0.00 179.25 178.89 1mno h ASP 126 N 0.49 0.56 -0.55 0.00 3.32 -1.99 -1.23 116.42 117.02 1mno h ASP 126 Ca 0.15 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 1mno h ASP 126 Cb -0.02 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1mno h ASP 126 CO -0.05 0.65 -0.00 0.00 -1.72 0.00 0.00 179.24 178.11 1mno h ALA 127 N 0.94 0.90 -0.06 3.45 0.00 -1.83 -1.27 119.26 121.39 1mno h ALA 127 Ca 0.12 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1mno h ALA 127 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1mno h ALA 127 CO 0.00 0.65 -0.02 0.37 0.00 0.00 0.00 179.25 180.25 1mno h GLN 128 N 0.92 -0.01 -0.55 0.00 -0.00 -1.00 0.10 115.11 114.58 1mno h GLN 128 Ca 0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.73 1mno h GLN 128 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.00 1mno h GLN 128 CO 0.03 -0.00 -0.01 0.78 0.00 0.00 0.00 178.83 179.63 1mno h GLY 129 N -0.01 1.02 1.22 2.39 0.00 -1.01 0.04 103.07 106.71 1mno h GLY 129 Ca 0.03 -0.72 -0.11 0.00 0.00 0.00 0.00 47.33 46.53 1mno h GLY 129 CO -0.06 0.67 -0.15 0.00 0.00 0.00 0.00 176.54 177.00 1mno h ALA 130 N 1.12 0.84 -0.45 3.60 0.00 -0.90 -2.32 119.26 121.14 1mno h ALA 130 Ca 0.16 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1mno h ALA 130 Cb 0.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1mno h ALA 130 CO 0.03 0.65 -0.06 1.98 0.00 0.00 0.00 179.25 181.84 1mno h MET 131 N 0.80 0.84 -0.34 0.00 1.85 -0.62 -0.27 114.93 117.20 1mno h MET 131 Ca 0.12 -0.30 0.06 0.00 -0.61 0.00 0.00 59.70 58.97 1mno h MET 131 Cb 0.68 -0.06 -0.06 0.00 0.43 0.00 0.00 31.60 32.60 1mno h MET 131 CO 0.05 0.93 -0.02 1.03 -0.40 0.00 0.00 176.91 178.50 1mno h SER 132 N 0.68 -0.17 -0.76 1.39 0.87 -0.90 -1.14 113.55 113.52 1mno h SER 132 Ca 0.12 0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.83 1mno h SER 132 Cb 0.59 0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.64 1mno h SER 132 CO 0.04 -0.05 0.44 0.11 -0.53 0.00 0.00 176.83 176.84 1mno h LYS 133 N 0.08 0.77 -0.50 2.24 1.57 -1.11 -0.14 116.57 119.49 1mno h LYS 133 Ca 0.16 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1mno h LYS 133 Cb 0.23 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1mno h LYS 133 CO -0.29 0.51 0.04 0.00 -0.57 0.00 0.00 179.45 179.14 1mno h ALA 134 N 1.38 1.14 -0.08 3.86 0.00 -0.57 0.16 119.26 125.16 1mno h ALA 134 Ca 0.34 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1mno h ALA 134 Cb 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1mno h ALA 134 CO -0.19 0.56 -0.74 -0.07 0.00 0.00 0.00 179.25 178.81 1mno h LEU 135 N 0.76 0.51 -0.44 0.00 3.38 -0.92 -0.78 115.31 117.82 1mno h LEU 135 Ca 0.15 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1mno h LEU 135 Cb 0.40 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1mno h LEU 135 CO 0.01 1.08 0.17 -0.08 0.09 0.00 0.00 178.44 179.72 1mno h GLU 136 N 0.29 0.65 -0.39 1.13 4.81 -0.77 0.87 114.58 121.17 1mno h GLU 136 Ca -0.03 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1mno h GLU 136 Cb 1.32 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1mno h GLU 136 CO 0.13 0.61 0.25 1.25 -0.73 0.00 0.00 179.01 180.51 1mno h LEU 137 N 0.56 0.46 -0.18 1.64 5.85 -0.44 0.52 115.31 123.72 1mno h LEU 137 Ca 0.14 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1mno h LEU 137 Cb 0.20 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1mno h LEU 137 CO -0.01 0.36 -0.05 0.15 -0.34 0.00 0.00 178.44 178.56 1mno h PHE 138 N 0.52 -0.10 -0.42 1.25 3.57 -0.97 -1.06 116.94 119.73 1mno h PHE 138 Ca 0.14 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1mno h PHE 138 Cb -0.02 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1mno h PHE 138 CO -0.04 -0.08 0.28 0.00 -2.23 0.00 0.00 178.31 176.24 1mno h ARG 139 N -0.00 0.56 -0.49 1.11 3.08 -0.36 -1.39 114.38 116.89 1mno h ARG 139 Ca 0.08 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1mno h ARG 139 Cb 0.13 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1mno h ARG 139 CO -0.18 0.37 0.28 -0.91 -1.07 0.00 0.00 179.97 178.46 1mno h ASN 140 N 0.58 0.44 0.38 7.04 -0.26 -0.58 -0.48 115.58 122.69 1mno h ASN 140 Ca 0.16 0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.77 1mno h ASN 140 Cb -0.06 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 1mno h ASN 140 CO -0.03 0.31 -0.56 0.44 -1.06 0.00 0.00 177.43 176.53 1mno h ASP 141 N 0.56 0.22 -0.23 5.81 3.32 -0.99 -1.02 116.42 124.09 1mno h ASP 141 Ca 0.20 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1mno h ASP 141 Cb 0.05 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1mno h ASP 141 CO -0.11 0.74 0.02 0.24 -1.72 0.00 0.00 179.24 178.41 1mno h MET 142 N 0.15 0.39 -0.51 3.56 2.86 -0.89 -1.69 114.93 118.80 1mno h MET 142 Ca -0.00 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1mno h MET 142 Cb 1.04 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 1mno h MET 142 CO 0.08 0.56 0.25 0.00 1.06 0.00 0.00 176.91 178.87 1mno h ALA 143 N 0.82 1.49 -0.15 6.32 0.00 -0.86 -0.98 119.26 125.90 1mno h ALA 143 Ca 0.07 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1mno h ALA 143 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1mno h ALA 143 CO 0.01 0.41 -0.49 0.00 0.00 0.00 0.00 179.25 179.18 1mno h ALA 144 N 1.57 0.88 -0.28 0.00 0.00 -0.96 -2.36 119.26 118.12 1mno h ALA 144 Ca 0.18 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1mno h ALA 144 Cb 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1mno h ALA 144 CO -0.03 0.66 -0.27 0.87 0.00 0.00 0.00 179.25 180.48 1mno h LYS 145 N 0.31 0.68 -0.61 0.00 1.79 -0.94 -2.69 116.57 115.11 1mno h LYS 145 Ca 0.02 -0.36 0.07 0.00 -2.18 0.00 0.00 60.65 58.20 1mno h LYS 145 Cb 0.97 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.58 1mno h LYS 145 CO 0.08 0.97 0.30 1.88 -1.08 0.00 0.00 179.45 181.60 1mno h TYR 146 N 0.42 0.55 -0.07 -1.35 -1.99 -1.03 -1.57 116.97 111.93 1mno h TYR 146 Ca 0.05 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 1mno h TYR 146 Cb 0.84 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.40 1mno h TYR 146 CO 0.07 0.23 -0.24 0.87 -0.00 0.00 0.00 178.16 179.09 1mno h LYS 147 N 0.56 0.12 0.00 4.88 1.57 -1.39 0.30 116.57 122.60 1mno h LYS 147 Ca 0.28 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.95 1mno h LYS 147 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1mno h LYS 147 CO -0.21 0.36 -0.37 1.49 -0.57 0.00 0.00 179.45 180.15 1mno h GLU 148 N 0.11 0.00 -0.00 3.15 4.81 -1.07 -2.87 114.58 118.70 1mno h GLU 148 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1mno h GLU 148 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1mno h GLU 148 CO 0.03 0.37 -0.27 1.28 -0.73 0.00 0.00 179.01 179.70 1mno n LEU 149 N -3.36 0.64 0.00 1.64 4.77 -0.64 -4.92 117.00 115.12 1mno n LEU 149 Ca 0.01 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1mno n LEU 149 Cb 0.57 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1mno n LEU 149 CO 0.37 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1mno n GLY 150 N 1.38 0.91 3.80 -0.72 0.00 -0.86 -5.07 105.19 104.64 1mno n GLY 150 Ca 0.10 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1mno n GLY 150 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mno s PHE 151 N -2.00 2.26 0.01 1.61 0.08 0.99 -4.98 117.98 115.95 1mno s PHE 151 Ca 0.00 -0.69 -0.30 0.00 0.12 0.00 0.00 56.93 56.06 1mno s PHE 151 Cb 0.00 -1.94 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 1mno s PHE 151 CO 0.00 -0.04 1.30 -1.14 -0.10 0.00 0.00 175.22 175.25 1mno s GLN 152 N -4.04 4.34 0.00 0.44 2.00 -1.26 -3.34 119.66 117.80 1mno s GLN 152 Ca 0.36 1.86 0.26 0.00 -2.00 0.00 0.00 55.36 55.84 1mno s GLN 152 Cb 0.01 -3.48 0.62 0.00 0.80 0.00 0.00 33.01 30.95 1mno s GLN 152 CO 0.21 -0.46 1.50 0.41 -0.50 0.00 0.00 175.29 176.45