#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mlf h LEU -6 N 0.00 0.00 0.00 1.20 5.85 -1.92 -2.61 115.31 117.84 3mlf h LEU -6 Ca 0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 3mlf h LEU -6 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3mlf h LEU -6 CO 0.00 0.48 -1.09 0.22 -0.34 0.00 0.00 178.44 177.71 3mlf h TYR -5 N 0.00 0.00 0.05 1.25 5.03 -1.86 -3.09 116.97 118.36 3mlf h TYR -5 Ca -0.00 0.00 -0.29 0.00 2.58 0.00 0.00 58.73 61.02 3mlf h TYR -5 Cb 1.04 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.29 3mlf h TYR -5 CO 0.00 0.84 -1.54 0.35 -1.32 0.00 0.00 178.16 176.49 3mlf h PHE -4 N 0.00 0.20 0.00 -3.82 3.57 -1.90 -3.21 116.94 111.77 3mlf h PHE -4 Ca -0.08 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3mlf h PHE -4 Cb 1.71 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.44 3mlf h PHE -4 CO 0.00 1.20 0.00 0.37 -2.23 0.00 0.00 178.31 177.65 3mlf h GLN -3 N 0.03 0.00 -6.05 1.11 4.15 -1.54 -3.46 115.11 109.34 3mlf h GLN -3 Ca -0.23 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.51 3mlf h GLN -3 Cb 1.97 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 29.49 3mlf h GLN -3 CO 0.12 0.00 -0.65 0.45 -1.93 0.00 0.00 178.83 176.82 3mlf s SER -2 N -4.51 5.00 0.56 -0.69 0.15 -1.17 -4.99 113.70 108.06 3mlf s SER -2 Ca 0.05 0.07 0.34 0.00 0.70 0.00 0.00 55.95 57.12 3mlf s SER -2 Cb 0.10 -1.35 1.52 0.00 -1.71 0.00 0.00 66.02 64.59 3mlf s SER -2 CO 0.46 0.36 2.05 0.78 1.20 0.00 0.00 173.24 178.09 3mlf h ASN -1 N 5.12 0.00 -3.58 5.45 4.21 -1.86 -3.48 115.58 121.46 3mlf h ASN -1 Ca -0.50 0.00 -0.42 0.00 1.21 0.00 0.00 56.30 56.59 3mlf h ASN -1 Cb 1.18 0.00 0.19 0.00 -1.12 0.00 0.00 38.32 38.57 3mlf h ASN -1 CO 0.54 0.03 0.16 0.00 -1.29 0.00 0.00 177.43 176.86 3mlf s ALA 0 N -3.79 0.74 0.51 -0.83 0.00 -1.08 -4.41 121.76 112.90 3mlf s ALA 0 Ca -0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 3mlf s ALA 0 Cb 0.10 -2.90 -0.14 0.00 0.00 0.00 0.00 23.12 20.18 3mlf s ALA 0 CO 0.53 -3.44 -0.06 1.63 0.00 0.00 0.00 175.76 174.42 3mlf n LYS 2 N -4.64 0.05 -2.65 0.00 5.02 -0.68 -4.91 118.16 110.34 3mlf n LYS 2 Ca 0.12 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.20 3mlf n LYS 2 Cb 0.59 -1.07 0.03 0.00 -0.02 0.00 0.00 35.03 34.56 3mlf n LYS 2 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mlf s THR 3 N -1.97 3.19 0.15 -0.18 -4.23 -1.26 0.97 115.64 112.31 3mlf s THR 3 Ca 0.58 -0.45 -0.17 0.00 -1.18 0.00 0.00 61.69 60.47 3mlf s THR 3 Cb -0.49 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.16 3mlf s THR 3 CO 0.65 -0.18 1.71 -0.07 -0.54 0.00 0.00 174.62 176.19 3mlf h LEU 4 N 0.05 -0.12 -1.19 4.79 3.38 -1.93 -0.51 115.31 119.78 3mlf h LEU 4 Ca -0.44 0.07 0.10 0.00 0.09 0.00 0.00 57.88 57.70 3mlf h LEU 4 Cb 1.28 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 42.09 3mlf h LEU 4 CO 0.56 -0.03 0.58 0.50 0.09 0.00 0.00 178.44 180.15 3mlf h LYS 5 N 0.10 0.87 -0.18 1.13 3.64 -1.95 -2.05 116.57 118.13 3mlf h LYS 5 Ca 0.16 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 3mlf h LYS 5 Cb 0.22 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3mlf h LYS 5 CO -0.27 0.57 -0.46 0.93 -2.27 0.00 0.00 179.45 177.96 3mlf h GLU 6 N 0.89 0.45 -0.84 1.90 5.08 -1.51 -1.05 114.58 119.51 3mlf h GLU 6 Ca 0.42 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3mlf h GLU 6 Cb 0.41 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3mlf h GLU 6 CO -0.18 0.82 0.44 -0.07 -1.00 0.00 0.00 179.01 179.02 3mlf h LEU 7 N 0.36 1.06 0.05 1.33 3.38 -0.59 -0.91 115.31 119.99 3mlf h LEU 7 Ca 0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3mlf h LEU 7 Cb 0.95 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3mlf h LEU 7 CO 0.08 0.87 -0.03 -0.09 0.09 0.00 0.00 178.44 179.36 3mlf h ARG 8 N 1.17 -0.07 0.00 1.13 2.43 -1.17 -3.27 114.38 114.61 3mlf h ARG 8 Ca 0.29 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.41 3mlf h ARG 8 Cb 0.06 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3mlf h ARG 8 CO -0.04 0.27 -0.29 1.79 -1.51 0.00 0.00 179.97 180.19 3mlf h THR 9 N -0.42 0.73 0.00 0.20 1.35 -0.99 -2.46 112.91 111.32 3mlf h THR 9 Ca -0.01 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3mlf h THR 9 Cb 0.38 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3mlf h THR 9 CO 0.01 0.28 0.08 0.44 -0.25 0.00 0.00 175.52 176.08 3mlf h ASP 10 N 0.00 0.00 0.00 5.36 3.32 -1.21 0.16 116.42 124.04 3mlf h ASP 10 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mlf h ASP 10 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3mlf h ASP 10 CO 0.04 0.00 -0.03 -1.22 -1.72 0.00 0.00 179.24 176.31 3mlf n TYR 11 N -2.74 0.00 -4.15 4.55 4.01 -0.94 -4.98 117.16 112.91 3mlf n TYR 11 Ca -0.02 -0.75 -0.34 0.00 -0.16 0.00 0.00 57.90 56.62 3mlf n TYR 11 Cb 0.13 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 3mlf n TYR 11 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mlf n GLY 12 N -1.02 -0.43 3.76 2.72 0.00 0.56 -4.92 105.19 105.86 3mlf n GLY 12 Ca 0.10 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 3mlf n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlf s LEU 13 N -7.24 4.50 0.64 0.99 1.43 -1.11 -5.04 118.68 112.85 3mlf s LEU 13 Ca 0.64 1.51 -0.14 0.00 -1.03 0.00 0.00 54.13 55.12 3mlf s LEU 13 Cb -0.35 -3.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 3mlf s LEU 13 CO 0.91 0.09 1.06 0.42 0.23 0.00 0.00 176.35 179.06 3mlf s THR 14 N -0.45 3.82 0.31 5.49 -4.23 -1.26 -4.60 115.64 114.73 3mlf s THR 14 Ca 0.37 0.75 0.03 0.00 -1.18 0.00 0.00 61.69 61.67 3mlf s THR 14 Cb -0.21 -3.34 0.29 0.00 1.34 0.00 0.00 72.50 70.57 3mlf s THR 14 CO 0.24 -0.62 1.88 1.56 -0.54 0.00 0.00 174.62 177.15 3mlf h GLN 15 N -0.05 0.90 0.25 3.99 4.20 -1.98 -0.50 115.11 121.93 3mlf h GLN 15 Ca -0.46 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.19 3mlf h GLN 15 Cb 1.22 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3mlf h GLN 15 CO 0.57 0.60 -0.12 -0.22 -0.67 0.00 0.00 178.83 178.98 3mlf h LYS 16 N 0.93 -0.32 -0.81 1.46 1.63 -1.92 0.12 116.57 117.66 3mlf h LYS 16 Ca 0.43 0.02 0.16 0.00 -0.85 0.00 0.00 60.65 60.41 3mlf h LYS 16 Cb 0.40 0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 32.00 3mlf h LYS 16 CO -0.19 -0.14 0.34 0.93 -3.45 0.00 0.00 179.45 176.94 3mlf h GLU 17 N -0.45 0.45 -0.42 1.90 5.08 -1.75 -1.04 114.58 118.35 3mlf h GLU 17 Ca -0.03 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 3mlf h GLU 17 Cb 0.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3mlf h GLU 17 CO 0.06 0.30 -0.33 1.25 -1.00 0.00 0.00 179.01 179.28 3mlf h LEU 18 N 0.46 1.02 -0.43 1.33 5.85 -0.76 0.14 115.31 122.92 3mlf h LEU 18 Ca 0.46 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3mlf h LEU 18 Cb 0.73 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3mlf h LEU 18 CO -0.43 1.24 0.16 1.23 -0.34 0.00 0.00 178.44 180.30 3mlf h GLY 19 N 0.81 0.56 1.20 3.75 0.00 -0.27 0.54 103.07 109.65 3mlf h GLY 19 Ca 0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 3mlf h GLY 19 CO 0.09 0.03 -0.08 -0.55 0.00 0.00 0.00 176.54 176.03 3mlf h ASP 20 N 0.33 0.94 -0.07 0.19 3.32 -0.87 0.81 116.42 121.07 3mlf h ASP 20 Ca 0.20 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 3mlf h ASP 20 Cb 0.17 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3mlf h ASP 20 CO -0.19 1.04 -0.13 0.25 -1.72 0.00 0.00 179.24 178.48 3mlf h LEU 21 N 0.85 0.39 -1.85 1.55 5.85 -0.38 -3.22 115.31 118.51 3mlf h LEU 21 Ca 0.14 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3mlf h LEU 21 Cb 0.61 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3mlf h LEU 21 CO 0.04 0.55 0.00 0.49 -0.34 0.00 0.00 178.44 179.18 3mlf n PHE 22 N -4.22 0.10 -3.14 1.25 3.72 0.15 -5.00 117.46 110.32 3mlf n PHE 22 Ca 0.00 -0.07 -0.14 0.00 -0.05 0.00 0.00 57.45 57.19 3mlf n PHE 22 Cb 0.31 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.92 3mlf n PHE 22 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3mlf n LYS 23 N 1.03 -5.30 -3.86 -1.08 5.02 0.28 -5.02 118.16 109.22 3mlf n LYS 23 Ca 0.12 0.67 -0.09 0.00 -2.02 0.00 0.00 58.31 56.99 3mlf n LYS 23 Cb 0.46 -5.17 -0.07 0.00 -0.02 0.00 0.00 35.03 30.24 3mlf n LYS 23 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3mlf s VAL 24 N -3.28 0.10 0.73 -0.18 -7.23 -0.79 -5.05 120.40 104.69 3mlf s VAL 24 Ca 0.02 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 3mlf s VAL 24 Cb -0.01 -1.51 0.03 0.00 0.56 0.00 0.00 36.38 35.45 3mlf s VAL 24 CO 0.58 -0.46 1.08 -0.94 -0.31 0.00 0.00 175.10 175.05 3mlf s SER 25 N -2.89 4.96 0.24 4.85 1.04 -1.26 -4.20 113.70 116.44 3mlf s SER 25 Ca 0.09 1.74 -0.05 0.00 0.48 0.00 0.00 55.95 58.21 3mlf s SER 25 Cb 0.04 -2.51 0.46 0.00 0.10 0.00 0.00 66.02 64.10 3mlf s SER 25 CO -0.07 -1.73 1.67 0.28 0.98 0.00 0.00 173.24 174.38 3mlf h SER 26 N -0.85 -0.06 -0.49 7.02 0.02 -1.90 -0.72 113.55 116.57 3mlf h SER 26 Ca -0.44 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3mlf h SER 26 Cb 1.22 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.96 3mlf h SER 26 CO 0.54 -0.07 0.32 -0.09 -1.14 0.00 0.00 176.83 176.39 3mlf h ARG 27 N 0.23 0.66 -0.88 3.45 9.65 -1.94 0.53 114.38 126.07 3mlf h ARG 27 Ca 0.41 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.25 3mlf h ARG 27 Cb 0.72 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.11 3mlf h ARG 27 CO -0.54 0.44 0.54 1.15 2.80 0.00 0.00 179.97 184.37 3mlf h THR 28 N 0.68 1.24 -0.30 0.20 2.02 -1.49 -0.17 112.91 115.08 3mlf h THR 28 Ca 0.18 -0.51 -0.12 0.00 0.77 0.00 0.00 66.41 66.74 3mlf h THR 28 Cb -0.07 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 3mlf h THR 28 CO -0.04 0.25 -0.27 0.40 0.37 0.00 0.00 175.52 176.23 3mlf h ILE 29 N 1.21 1.30 -0.06 3.11 1.08 0.26 -2.91 117.51 121.49 3mlf h ILE 29 Ca 0.32 -1.43 0.03 0.00 -0.39 0.00 0.00 64.86 63.39 3mlf h ILE 29 Cb -0.07 1.54 -0.06 0.00 -3.07 0.00 0.00 36.82 35.16 3mlf h ILE 29 CO -0.06 0.46 -0.47 1.56 -0.69 0.00 0.00 178.15 178.95 3mlf h GLN 30 N 0.47 -0.56 -0.75 2.37 4.20 -0.47 0.17 115.11 120.53 3mlf h GLN 30 Ca 0.05 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3mlf h GLN 30 Cb 0.84 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.75 3mlf h GLN 30 CO 0.07 -0.37 0.00 0.09 -0.67 0.00 0.00 178.83 177.95 3mlf n ASN 31 N -5.45 0.00 0.00 1.46 3.02 -0.09 -0.92 115.26 113.28 3mlf n ASN 31 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 3mlf n ASN 31 Cb 0.38 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 3mlf n ASN 31 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mlf n GLU 33 N 0.65 0.00 -0.03 3.52 1.02 0.05 -1.02 120.64 124.82 3mlf n GLU 33 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 3mlf n GLU 33 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 3mlf n GLU 33 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3mlf h LYS 34 N 0.00 0.20 -2.67 3.49 3.64 -1.28 -3.45 116.57 116.50 3mlf h LYS 34 Ca 0.00 -0.15 -0.22 0.00 -1.27 0.00 0.00 60.65 59.01 3mlf h LYS 34 Cb 0.00 0.03 -0.33 0.00 -0.41 0.00 0.00 32.23 31.52 3mlf h LYS 34 CO 0.00 0.78 -0.54 0.34 -2.27 0.00 0.00 179.45 177.77 3mlf s ASP 35 N -6.14 0.52 0.00 4.20 -1.08 -0.19 -1.79 116.67 112.19 3mlf s ASP 35 Ca -0.15 0.41 0.22 0.00 -0.52 0.00 0.00 52.55 52.50 3mlf s ASP 35 Cb 0.02 0.71 -0.13 0.00 -1.46 0.00 0.00 42.92 42.06 3mlf s ASP 35 CO 0.73 -0.26 0.98 -1.20 0.52 0.00 0.00 175.17 175.94 3mlf n SER 36 N 5.35 1.33 -0.36 -0.34 7.64 0.83 -4.61 113.62 123.46 3mlf n SER 36 Ca -0.06 -1.16 0.29 0.00 1.01 0.00 0.00 58.87 58.95 3mlf n SER 36 Cb 0.50 0.81 0.58 0.00 -1.01 0.00 0.00 64.21 65.08 3mlf n SER 36 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3mlf h THR 37 N 0.82 0.38 -0.25 0.44 2.02 -1.88 0.15 112.91 114.58 3mlf h THR 37 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3mlf h THR 37 Cb 0.59 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3mlf h THR 37 CO 0.00 0.05 0.00 0.59 0.37 0.00 0.00 175.52 176.53 3mlf n ASN 38 N -4.60 3.74 -4.63 4.18 3.02 -1.26 -4.97 115.26 110.74 3mlf n ASN 38 Ca 0.29 -2.95 -0.47 0.00 -0.03 0.00 0.00 54.58 51.42 3mlf n ASN 38 Cb 1.10 -0.52 -0.04 0.00 -0.61 0.00 0.00 39.78 39.71 3mlf n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mlf n ILE 39 N -0.48 0.72 -2.40 2.41 3.06 0.04 -4.93 119.36 117.77 3mlf n ILE 39 Ca 0.20 -0.18 -0.41 0.00 -2.50 0.00 0.00 62.75 59.87 3mlf n ILE 39 Cb 0.85 -1.17 -0.04 0.00 0.54 0.00 0.00 39.64 39.82 3mlf n ILE 39 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 3mlf s LYS 40 N -0.16 4.56 0.35 9.51 1.02 -1.26 -4.92 119.74 128.85 3mlf s LYS 40 Ca 0.73 1.87 0.06 0.00 0.02 0.00 0.00 55.97 58.65 3mlf s LYS 40 Cb -0.76 -3.19 0.73 0.00 -0.52 0.00 0.00 37.83 34.08 3mlf s LYS 40 CO 0.49 0.07 1.93 0.22 -0.92 0.00 0.00 175.35 177.14 3mlf h ASP 41 N 4.25 0.70 -0.76 2.83 3.58 -1.98 -0.37 116.42 124.67 3mlf h ASP 41 Ca -0.46 0.01 0.21 0.00 0.42 0.00 0.00 57.03 57.21 3mlf h ASP 41 Cb 1.21 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 42.10 3mlf h ASP 41 CO 0.69 0.43 0.54 0.77 -2.88 0.00 0.00 179.24 178.79 3mlf h SER 42 N 0.78 0.04 0.00 2.28 4.64 -2.00 0.54 113.55 119.83 3mlf h SER 42 Ca 0.36 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.47 3mlf h SER 42 Cb 0.36 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3mlf h SER 42 CO -0.13 0.02 -1.29 -0.11 -0.87 0.00 0.00 176.83 174.44 3mlf n LEU 43 N -4.33 1.87 -0.32 5.97 7.94 -0.22 -3.92 117.00 123.98 3mlf n LEU 43 Ca 0.15 0.45 0.28 0.00 -1.11 0.00 0.00 56.01 55.78 3mlf n LEU 43 Cb 0.80 -0.92 0.52 0.00 0.53 0.00 0.00 43.42 44.35 3mlf n LEU 43 CO 0.37 0.16 1.03 0.25 -1.11 0.00 0.00 177.39 178.09 3mlf h LEU 44 N -1.00 0.23 -1.08 -1.96 5.85 -1.22 0.25 115.31 116.38 3mlf h LEU 44 Ca -0.32 0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3mlf h LEU 44 Cb 1.19 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 3mlf h LEU 44 CO -0.20 -0.37 -0.33 0.28 -0.34 0.00 0.00 178.44 177.48 3mlf h SER 45 N 0.06 0.00 -0.06 1.25 0.02 -1.02 -2.75 113.55 111.05 3mlf h SER 45 Ca 0.79 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.68 3mlf h SER 45 Cb 1.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.53 3mlf h SER 45 CO -0.76 0.33 -0.18 0.11 -1.14 0.00 0.00 176.83 175.19 3mlf h LYS 46 N 0.00 0.23 -0.08 3.45 1.57 -1.07 -1.64 116.57 119.03 3mlf h LYS 46 Ca -0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3mlf h LYS 46 Cb 0.81 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3mlf h LYS 46 CO 0.04 0.79 0.00 0.66 -0.57 0.00 0.00 179.45 180.37 3mlf n TYR 47 N -4.57 0.00 0.00 -1.35 4.02 -1.04 0.58 117.16 114.80 3mlf n TYR 47 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3mlf n TYR 47 Cb 0.41 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 3mlf n TYR 47 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3mlf n SER 49 N 0.16 0.00 -0.22 7.72 2.88 -0.62 -2.10 113.62 121.45 3mlf n SER 49 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3mlf n SER 49 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 3mlf n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mlf h ALA 50 N 0.00 0.79 -0.64 -1.46 0.00 -0.13 -3.15 119.26 114.68 3mlf h ALA 50 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3mlf h ALA 50 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3mlf h ALA 50 CO 0.00 0.47 0.00 1.19 0.00 0.00 0.00 179.25 180.91 3mlf n PHE 51 N -4.39 1.28 -3.96 0.00 3.72 -0.89 -4.98 117.46 108.24 3mlf n PHE 51 Ca 0.03 -0.59 -0.31 0.00 -0.05 0.00 0.00 57.45 56.53 3mlf n PHE 51 Cb 0.21 -0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 38.57 3mlf n PHE 51 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3mlf n ASN 52 N 1.15 -2.05 -4.30 4.37 5.03 -1.19 -4.98 115.26 113.29 3mlf n ASN 52 Ca 0.24 -1.10 -0.17 0.00 0.87 0.00 0.00 54.58 54.42 3mlf n ASN 52 Cb 0.80 -2.68 -0.10 0.00 -1.02 0.00 0.00 39.78 36.77 3mlf n ASN 52 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3mlf s VAL 53 N -3.82 1.50 0.43 2.41 -7.23 -1.26 -5.06 120.40 107.37 3mlf s VAL 53 Ca 0.21 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.30 3mlf s VAL 53 Cb -0.09 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 3mlf s VAL 53 CO 0.91 -0.57 0.71 -0.54 -0.31 0.00 0.00 175.10 175.30 3mlf s LYS 54 N -3.37 3.55 0.17 4.82 1.02 -1.26 -4.65 119.74 120.01 3mlf s LYS 54 Ca 0.17 0.07 -0.23 0.00 0.02 0.00 0.00 55.97 56.00 3mlf s LYS 54 Cb -0.01 -2.47 0.06 0.00 -0.52 0.00 0.00 37.83 34.89 3mlf s LYS 54 CO 0.04 -0.07 1.60 -0.92 -0.92 0.00 0.00 175.35 175.08 3mlf h TYR 55 N 0.53 -0.91 -0.10 3.18 3.20 -1.99 -0.69 116.97 120.19 3mlf h TYR 55 Ca -0.48 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.48 3mlf h TYR 55 Cb 1.21 0.46 -0.00 0.00 1.54 0.00 0.00 36.73 39.93 3mlf h TYR 55 CO 0.57 -0.38 0.40 -0.44 -1.64 0.00 0.00 178.16 176.67 3mlf h ASP 56 N -0.25 0.00 1.23 -2.11 3.32 -1.95 -1.56 116.42 115.10 3mlf h ASP 56 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3mlf h ASP 56 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3mlf h ASP 56 CO -0.55 0.00 -0.07 0.47 -1.72 0.00 0.00 179.24 177.37 3mlf n ASP 57 N -3.06 0.53 -4.67 6.45 8.00 -0.27 -2.65 116.55 120.88 3mlf n ASP 57 Ca 0.00 0.48 -0.35 0.00 0.71 0.00 0.00 54.79 55.63 3mlf n ASP 57 Cb 0.48 -0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 40.92 3mlf n ASP 57 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mlf s ILE 58 N -3.07 4.89 -0.10 0.53 1.01 -0.59 -1.69 121.20 122.17 3mlf s ILE 58 Ca 0.11 -0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.53 3mlf s ILE 58 Cb 0.15 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 3mlf s ILE 58 CO 0.59 0.49 0.69 0.12 0.00 0.00 0.00 174.94 176.83 3mlf s PHE 59 N 0.12 3.52 -0.06 3.97 5.36 0.27 -4.80 117.98 126.37 3mlf s PHE 59 Ca 0.06 1.18 0.05 0.00 -0.96 0.00 0.00 56.93 57.25 3mlf s PHE 59 Cb -0.12 -2.82 -0.00 0.00 -0.34 0.00 0.00 43.02 39.74 3mlf s PHE 59 CO 0.00 0.01 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.06 3mlf s LEU 60 N 1.13 1.98 0.00 6.12 1.02 -1.26 -4.19 118.68 123.48 3mlf s LEU 60 Ca 0.36 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 54.06 3mlf s LEU 60 Cb -0.17 -1.19 0.00 0.00 0.02 0.00 0.00 46.19 44.85 3mlf s LEU 60 CO 0.16 0.17 0.00 0.61 0.02 0.00 0.00 176.35 177.31 3mlf n GLY 61 N 3.22 -1.49 3.97 -3.19 0.00 -1.26 -4.84 105.19 101.60 3mlf n GLY 61 Ca -0.19 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 3mlf n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mlf s ASN 62 N -3.09 4.23 0.55 1.61 2.20 -1.26 -0.12 114.94 119.05 3mlf s ASN 62 Ca 0.00 -0.13 0.24 0.00 -0.94 0.00 0.00 52.86 52.03 3mlf s ASN 62 Cb 0.00 -0.25 1.54 0.00 -2.00 0.00 0.00 41.25 40.54 3mlf s ASN 62 CO 0.00 -1.95 2.18 -0.08 -2.94 0.00 0.00 177.10 174.31 3mlf h GLU 63 N -0.71 0.00 0.05 3.55 4.81 -1.71 -0.51 114.58 120.06 3mlf h GLU 63 Ca -0.39 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.68 3mlf h GLU 63 Cb 1.27 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.66 3mlf h GLU 63 CO 0.43 0.03 -0.66 -0.92 -0.73 0.00 0.00 179.01 177.16 3mlf h TYR 64 N 0.00 0.57 -0.54 0.92 3.20 -1.92 -2.89 116.97 116.31 3mlf h TYR 64 Ca -0.00 -0.34 -0.03 0.00 3.14 0.00 0.00 58.73 61.50 3mlf h TYR 64 Cb 0.07 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3mlf h TYR 64 CO 0.00 1.19 0.23 0.93 -1.64 0.00 0.00 178.16 178.87 3mlf h GLU 65 N -0.21 0.80 -0.74 1.82 5.08 -1.51 -2.11 114.58 117.72 3mlf h GLU 65 Ca -0.09 -0.14 0.16 0.00 -1.00 0.00 0.00 59.36 58.28 3mlf h GLU 65 Cb 1.41 -0.13 -0.14 0.00 0.50 0.00 0.00 28.75 30.39 3mlf h GLU 65 CO 0.13 0.69 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.81 3mlf h ASN 66 N 0.73 -0.55 -0.04 1.42 4.21 -1.19 0.09 115.58 120.26 3mlf h ASN 66 Ca 0.18 0.21 -0.01 0.00 1.21 0.00 0.00 56.30 57.89 3mlf h ASN 66 Cb 0.18 0.41 -0.00 0.00 -1.12 0.00 0.00 38.32 37.79 3mlf h ASN 66 CO -0.02 -0.22 -0.00 0.15 -1.29 0.00 0.00 177.43 176.05 3mlf h PHE 67 N 0.04 0.08 -0.98 1.19 3.57 -1.20 -0.01 116.94 119.63 3mlf h PHE 67 Ca 0.38 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.88 3mlf h PHE 67 Cb 0.62 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 3mlf h PHE 67 CO -0.52 0.39 0.65 0.28 -2.23 0.00 0.00 178.31 176.87 3mlf h VAL 68 N -0.24 1.24 0.04 1.41 2.07 -1.04 0.27 116.25 119.99 3mlf h VAL 68 Ca 0.01 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3mlf h VAL 68 Cb 0.35 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3mlf h VAL 68 CO 0.00 0.24 -0.02 0.15 0.02 0.00 0.00 177.57 177.96 3mlf h PHE 69 N 1.31 -0.05 -0.27 1.57 3.57 -0.59 0.23 116.94 122.72 3mlf h PHE 69 Ca 0.36 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.75 3mlf h PHE 69 Cb -0.13 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 3mlf h PHE 69 CO -0.00 0.24 -0.28 1.79 -2.23 0.00 0.00 178.31 177.82 3mlf h THR 70 N -0.33 1.31 -0.49 4.41 1.35 -0.65 0.25 112.91 118.76 3mlf h THR 70 Ca -0.01 -1.45 0.04 0.00 -0.55 0.00 0.00 66.41 64.44 3mlf h THR 70 Cb 0.30 1.63 -0.04 0.00 -1.73 0.00 0.00 68.15 68.31 3mlf h THR 70 CO 0.01 0.46 0.26 -1.13 -0.25 0.00 0.00 175.52 174.87 3mlf h ASN 71 N 0.40 0.39 -0.49 5.36 -1.24 -0.47 -1.36 115.58 118.17 3mlf h ASN 71 Ca 0.04 0.02 -0.09 0.00 0.71 0.00 0.00 56.30 56.98 3mlf h ASN 71 Cb 0.85 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.82 3mlf h ASN 71 CO 0.07 0.27 -0.01 0.44 -1.29 0.00 0.00 177.43 176.91 3mlf h ASP 72 N 0.51 0.91 -0.70 1.15 5.19 -0.22 -2.88 116.42 120.38 3mlf h ASP 72 Ca 0.21 -0.25 0.10 0.00 -0.62 0.00 0.00 57.03 56.48 3mlf h ASP 72 Cb 0.09 -0.24 -0.08 0.00 0.18 0.00 0.00 39.33 39.28 3mlf h ASP 72 CO -0.13 0.97 0.32 0.50 -3.12 0.00 0.00 179.24 177.78 3mlf h LYS 73 N 0.86 0.52 -0.64 3.56 3.64 0.08 -1.70 116.57 122.89 3mlf h LYS 73 Ca 0.16 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3mlf h LYS 73 Cb 0.52 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3mlf h LYS 73 CO 0.03 0.34 0.28 -0.22 -2.27 0.00 0.00 179.45 177.61 3mlf h LYS 74 N 0.53 0.93 -0.40 1.90 3.64 -1.10 -2.94 116.57 119.14 3mlf h LYS 74 Ca 0.35 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 59.44 3mlf h LYS 74 Cb 0.42 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3mlf h LYS 74 CO -0.30 0.77 -0.30 0.87 -2.27 0.00 0.00 179.45 178.22 3mlf h LYS 75 N 0.88 0.88 -0.42 1.90 1.57 -1.29 -2.32 116.57 117.77 3mlf h LYS 75 Ca 0.22 -0.41 0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3mlf h LYS 75 Cb 0.16 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.37 3mlf h LYS 75 CO -0.02 1.06 -0.31 0.77 -0.57 0.00 0.00 179.45 180.37 3mlf h SER 76 N 0.74 -1.04 -0.82 0.86 0.02 -1.17 -0.24 113.55 111.89 3mlf h SER 76 Ca 0.08 0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 3mlf h SER 76 Cb 0.86 0.50 -0.04 0.00 0.14 0.00 0.00 62.40 63.86 3mlf h SER 76 CO 0.08 -0.31 0.45 0.40 -1.14 0.00 0.00 176.83 176.30 3mlf h ILE 77 N -0.23 1.24 -0.15 3.27 5.03 -1.39 0.17 117.51 125.46 3mlf h ILE 77 Ca 0.18 -0.61 -0.10 0.00 -0.12 0.00 0.00 64.86 64.21 3mlf h ILE 77 Cb 0.53 0.15 -0.01 0.00 -3.03 0.00 0.00 36.82 34.46 3mlf h ILE 77 CO -0.55 0.27 -0.34 0.40 -0.68 0.00 0.00 178.15 177.26 3mlf h ILE 78 N 1.15 1.28 0.13 -0.67 2.04 -0.99 -1.88 117.51 118.57 3mlf h ILE 78 Ca 0.29 -1.37 -0.33 0.00 1.00 0.00 0.00 64.86 64.45 3mlf h ILE 78 Cb 0.04 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3mlf h ILE 78 CO -0.05 0.42 -1.75 0.25 0.00 0.00 0.00 178.15 177.03 3mlf h LEU 79 N 0.27 0.43 -0.23 1.44 5.85 -0.48 -2.07 115.31 120.51 3mlf h LEU 79 Ca 0.03 -0.72 -0.00 0.00 0.84 0.00 0.00 57.88 58.03 3mlf h LEU 79 Cb 0.73 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3mlf h LEU 79 CO 0.06 1.62 0.13 0.00 -0.34 0.00 0.00 178.44 179.90 3mlf h ALA 80 N 0.32 0.29 -0.82 1.25 0.00 -0.67 -2.40 119.26 117.24 3mlf h ALA 80 Ca -0.33 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.59 3mlf h ALA 80 Cb 2.05 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.69 3mlf h ALA 80 CO 0.14 -0.19 0.50 0.35 0.00 0.00 0.00 179.25 180.05 3mlf h PHE 81 N 0.27 0.93 0.00 0.00 3.57 -1.38 -2.49 116.94 117.83 3mlf h PHE 81 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3mlf h PHE 81 Cb 0.04 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.48 3mlf h PHE 81 CO -0.04 0.48 0.00 1.63 -2.23 0.00 0.00 178.31 178.15 3mlf n LYS 82 N -4.64 0.22 -0.24 1.11 5.02 -0.78 -3.02 118.16 115.82 3mlf n LYS 82 Ca 0.11 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 3mlf n LYS 82 Cb 0.16 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 3mlf n LYS 82 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3mlf n GLU 83 N -2.26 0.92 0.00 1.97 1.02 -0.93 -5.08 120.64 116.28 3mlf n GLU 83 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3mlf n GLU 83 Cb 0.28 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 3mlf n GLU 83 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67