#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vko s MET 27 N 0.00 2.61 0.40 -0.41 -2.45 -1.26 -4.97 119.30 113.22 2vko s MET 27 Ca 0.00 -1.63 0.22 0.00 -1.25 0.00 0.00 55.69 53.04 2vko s MET 27 Cb 0.00 -3.93 1.24 0.00 1.25 0.00 0.00 34.83 33.39 2vko s MET 27 CO 0.00 -1.12 1.68 -0.91 1.05 0.00 0.00 175.02 175.72 2vko h ASN 28 N 8.51 0.37 0.25 1.11 2.35 -2.05 0.38 115.58 126.50 2vko h ASN 28 Ca -0.23 0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2vko h ASN 28 Cb 1.08 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 2vko h ASN 28 CO 0.85 -0.09 -0.22 0.25 -1.65 0.00 0.00 177.43 176.57 2vko h LEU 29 N 0.24 -0.58 -0.92 1.61 7.12 -1.99 -2.12 115.31 118.67 2vko h LEU 29 Ca 0.73 0.05 0.02 0.00 0.13 0.00 0.00 57.88 58.81 2vko h LEU 29 Cb 2.02 0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 42.29 2vko h LEU 29 CO -0.43 -0.33 0.60 0.00 -0.13 0.00 0.00 178.44 178.15 2vko h ALA 30 N 0.20 1.19 -0.28 1.25 0.00 -0.70 -1.24 119.26 119.67 2vko h ALA 30 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2vko h ALA 30 Cb 0.44 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2vko h ALA 30 CO -0.03 0.51 0.05 -0.39 0.00 0.00 0.00 179.25 179.38 2vko h VAL 31 N 1.20 1.23 -0.29 0.00 -1.51 -1.34 -1.56 116.25 113.98 2vko h VAL 31 Ca 0.35 -0.79 -0.07 0.00 -1.23 0.00 0.00 66.70 64.97 2vko h VAL 31 Cb -0.07 1.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.28 2vko h VAL 31 CO -0.10 0.26 -0.10 0.07 -1.23 0.00 0.00 177.57 176.46 2vko h LYS 32 N 0.29 0.48 -0.18 5.19 2.10 -1.04 -0.74 116.57 122.66 2vko h LYS 32 Ca 0.09 -0.13 0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2vko h LYS 32 Cb 0.34 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.59 2vko h LYS 32 CO 0.01 0.59 0.08 1.25 -2.00 0.00 0.00 179.45 179.38 2vko h LEU 33 N 0.45 0.11 -0.27 7.07 5.85 -1.13 0.71 115.31 128.10 2vko h LEU 33 Ca 0.09 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2vko h LEU 33 Cb 0.46 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2vko h LEU 33 CO 0.03 0.09 0.06 0.71 -0.34 0.00 0.00 178.44 178.98 2vko h THR 34 N 0.18 1.22 -0.43 1.05 1.35 -0.78 0.21 112.91 115.71 2vko h THR 34 Ca 0.07 -0.74 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 2vko h THR 34 Cb 0.03 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 2vko h THR 34 CO -0.06 0.24 0.16 0.08 -0.25 0.00 0.00 175.52 175.70 2vko h ARG 35 N 0.27 0.62 0.06 4.72 0.11 -1.07 -0.64 114.38 118.45 2vko h ARG 35 Ca 0.08 -0.09 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 2vko h ARG 35 Cb 0.31 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.27 2vko h ARG 35 CO 0.00 0.52 -0.03 0.52 0.10 0.00 0.00 179.97 181.09 2vko h MET 36 N 0.62 -0.08 -0.55 0.08 2.86 -0.59 -1.31 114.93 115.96 2vko h MET 36 Ca 0.15 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.90 2vko h MET 36 Cb 0.14 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.74 2vko h MET 36 CO -0.01 0.00 0.09 0.93 1.06 0.00 0.00 176.91 178.98 2vko h GLU 37 N -0.14 0.22 -0.32 1.72 5.08 -0.53 0.92 114.58 121.52 2vko h GLU 37 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2vko h GLU 37 Cb 0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2vko h GLU 37 CO 0.01 0.14 0.18 0.87 -1.00 0.00 0.00 179.01 179.22 2vko h LYS 38 N 0.22 0.45 -0.67 2.33 1.57 -1.13 -0.05 116.57 119.29 2vko h LYS 38 Ca 0.28 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2vko h LYS 38 Cb 0.41 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 2vko h LYS 38 CO -0.38 0.37 0.31 0.00 -0.57 0.00 0.00 179.45 179.18 2vko h THR 39 N 0.40 1.23 -0.48 -0.16 1.03 -0.53 -1.61 112.91 112.79 2vko h THR 39 Ca 0.11 -0.66 -0.00 0.00 -0.01 0.00 0.00 66.41 65.85 2vko h THR 39 Cb 0.05 0.43 -0.02 0.00 -1.07 0.00 0.00 68.15 67.54 2vko h THR 39 CO -0.02 0.27 0.29 0.25 -0.01 0.00 0.00 175.52 176.30 2vko h LEU 40 N 0.93 0.58 -0.71 0.00 5.85 -0.64 -2.00 115.31 119.31 2vko h LEU 40 Ca 0.23 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.96 2vko h LEU 40 Cb 0.14 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 2vko h LEU 40 CO -0.03 0.47 0.40 0.50 -0.34 0.00 0.00 178.44 179.44 2vko h LYS 41 N 0.65 0.69 0.01 1.25 1.63 -0.64 0.19 116.57 120.35 2vko h LYS 41 Ca 0.17 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2vko h LYS 41 Cb -0.00 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.46 2vko h LYS 41 CO -0.03 0.46 -0.03 0.00 -3.45 0.00 0.00 179.45 176.39 2vko h ALA 42 N 1.38 -0.05 -0.82 5.00 0.00 -0.80 0.20 119.26 124.17 2vko h ALA 42 Ca 0.33 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2vko h ALA 42 Cb 0.23 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2vko h ALA 42 CO -0.20 -0.53 0.40 1.88 0.00 0.00 0.00 179.25 180.79 2vko h TYR 43 N -0.07 1.18 -0.92 0.00 0.99 -1.05 -1.10 116.97 116.01 2vko h TYR 43 Ca 0.01 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.71 2vko h TYR 43 Cb 0.08 -0.37 -0.05 0.00 1.00 0.00 0.00 36.73 37.39 2vko h TYR 43 CO -0.10 0.85 0.60 0.93 -0.00 0.00 0.00 178.16 180.44 2vko h GLU 44 N 1.17 1.15 -0.53 4.88 5.08 -0.19 -0.49 114.58 125.65 2vko h GLU 44 Ca 0.28 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 2vko h GLU 44 Cb 0.11 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2vko h GLU 44 CO -0.04 0.76 0.01 -0.07 -1.00 0.00 0.00 179.01 178.67 2vko h LEU 45 N 1.19 0.86 -0.32 1.33 3.38 -0.44 0.21 115.31 121.52 2vko h LEU 45 Ca 0.35 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2vko h LEU 45 Cb -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2vko h LEU 45 CO -0.10 0.92 0.14 0.22 0.09 0.00 0.00 178.44 179.70 2vko h TYR 46 N 0.83 0.48 -0.07 1.13 5.03 -0.65 -1.10 116.97 122.61 2vko h TYR 46 Ca 0.16 -0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.37 2vko h TYR 46 Cb 0.48 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.62 2vko h TYR 46 CO 0.03 0.44 -0.22 0.82 -1.32 0.00 0.00 178.16 177.91 2vko h ILE 47 N 0.37 1.42 0.00 1.81 2.04 -0.88 -3.39 117.51 118.88 2vko h ILE 47 Ca 0.11 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.38 2vko h ILE 47 Cb 0.16 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2vko h ILE 47 CO -0.01 0.45 -1.62 0.49 0.00 0.00 0.00 178.15 177.46 2vko n PHE 48 N -4.52 0.00 0.00 1.37 3.01 0.71 -4.98 117.46 113.05 2vko n PHE 48 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 2vko n PHE 48 Cb 0.44 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 2vko n PHE 48 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2vko n SER 49 N -1.98 0.00 -4.74 4.37 3.41 -0.42 -5.03 113.62 109.23 2vko n SER 49 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.33 2vko n SER 49 Cb 0.43 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 2vko n SER 49 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2vko s ASP 50 N 0.93 4.32 0.23 4.04 -4.77 -1.23 -4.77 116.67 115.43 2vko s ASP 50 Ca 0.00 -1.20 -0.07 0.00 -3.30 0.00 0.00 52.55 47.98 2vko s ASP 50 Cb 0.00 -0.30 0.24 0.00 -1.09 0.00 0.00 42.92 41.77 2vko s ASP 50 CO 0.00 -0.61 1.90 0.22 0.70 0.00 0.00 175.17 177.38 2vko h TYR 51 N 1.42 1.09 -0.87 2.11 5.03 -1.88 -2.49 116.97 121.38 2vko h TYR 51 Ca -0.43 0.03 0.01 0.00 2.58 0.00 0.00 58.73 60.92 2vko h TYR 51 Cb 1.26 -0.37 -0.04 0.00 1.55 0.00 0.00 36.73 39.13 2vko h TYR 51 CO 0.76 0.66 0.58 0.93 -1.32 0.00 0.00 178.16 179.77 2vko h GLU 52 N 1.16 1.13 -0.15 1.82 3.07 -1.96 0.38 114.58 120.03 2vko h GLU 52 Ca 0.34 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 2vko h GLU 52 Cb -0.07 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.58 2vko h GLU 52 CO -0.09 0.75 0.02 -0.91 -1.40 0.00 0.00 179.01 177.37 2vko h ASN 53 N 1.17 0.24 0.02 1.42 2.35 -1.87 -1.42 115.58 117.49 2vko h ASN 53 Ca 0.32 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2vko h ASN 53 Cb -0.11 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 2vko h ASN 53 CO -0.08 0.45 -0.18 0.15 -1.65 0.00 0.00 177.43 176.13 2vko h PHE 54 N 0.02 -0.46 -0.73 1.19 3.57 -1.07 -0.86 116.94 118.60 2vko h PHE 54 Ca 0.04 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2vko h PHE 54 Cb 0.32 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2vko h PHE 54 CO 0.02 -0.26 0.37 1.49 -2.23 0.00 0.00 178.31 177.71 2vko h GLU 55 N -0.30 1.04 -0.57 1.11 4.81 -0.23 -0.82 114.58 119.61 2vko h GLU 55 Ca 0.05 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 2vko h GLU 55 Cb 0.36 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2vko h GLU 55 CO -0.15 0.79 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.99 2vko h ASN 56 N 1.02 1.00 0.22 1.04 2.35 -1.10 0.14 115.58 120.24 2vko h ASN 56 Ca 0.25 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2vko h ASN 56 Cb 0.08 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.18 2vko h ASN 56 CO -0.04 1.06 -0.10 0.22 -1.65 0.00 0.00 177.43 176.92 2vko h TYR 57 N 0.92 -0.27 -0.63 1.19 3.20 -0.88 -1.85 116.97 118.66 2vko h TYR 57 Ca 0.16 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.09 2vko h TYR 57 Cb 0.57 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 2vko h TYR 57 CO 0.04 -0.01 0.33 0.28 -1.64 0.00 0.00 178.16 177.15 2vko h VAL 58 N -0.51 0.93 0.53 1.81 2.07 -1.04 0.40 116.25 120.44 2vko h VAL 58 Ca -0.03 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2vko h VAL 58 Cb 0.38 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2vko h VAL 58 CO 0.05 0.11 -0.25 0.11 0.02 0.00 0.00 177.57 177.61 2vko h LYS 59 N 0.60 -0.68 0.00 1.57 1.79 -0.95 0.11 116.57 119.01 2vko h LYS 59 Ca 0.29 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2vko h LYS 59 Cb 0.22 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2vko h LYS 59 CO -0.20 -0.42 0.00 1.57 -1.08 0.00 0.00 179.45 179.32 2vko h LYS 60 N -0.78 0.00 0.00 3.15 2.10 -1.21 -2.38 116.57 117.45 2vko h LYS 60 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2vko h LYS 60 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 2vko h LYS 60 CO 0.12 0.00 -1.03 0.39 -2.00 0.00 0.00 179.45 176.93 2vko n GLU 61 N -2.34 0.19 -3.19 0.07 -0.58 0.12 -5.00 120.64 109.91 2vko n GLU 61 Ca 0.05 -0.02 -0.15 0.00 -0.42 0.00 0.00 57.16 56.61 2vko n GLU 61 Cb 0.39 -1.54 0.05 0.00 -0.57 0.00 0.00 31.44 29.77 2vko n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2vko n GLY 62 N 1.42 -0.06 3.80 0.62 0.00 0.31 -4.98 105.19 106.31 2vko n GLY 62 Ca 0.03 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2vko n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vko s LEU 63 N -5.18 4.46 -0.34 0.99 1.43 -0.77 -5.05 118.68 114.23 2vko s LEU 63 Ca 0.33 1.46 -0.19 0.00 -1.03 0.00 0.00 54.13 54.70 2vko s LEU 63 Cb -0.14 -3.35 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 2vko s LEU 63 CO 0.49 0.14 0.55 -0.75 0.23 0.00 0.00 176.35 177.01 2vko s LYS 64 N -1.53 3.71 -0.19 1.70 2.36 -1.26 -4.93 119.74 119.59 2vko s LYS 64 Ca 0.38 -0.02 -0.01 0.00 -2.55 0.00 0.00 55.97 53.76 2vko s LYS 64 Cb -0.19 -3.79 0.00 0.00 -1.05 0.00 0.00 37.83 32.81 2vko s LYS 64 CO 0.22 -0.63 -0.12 0.42 1.55 0.00 0.00 175.35 176.79 2vko s ILE 65 N 2.48 2.75 0.12 5.43 -1.09 -1.26 -5.03 121.20 124.60 2vko s ILE 65 Ca 0.21 -0.71 -0.32 0.00 -2.23 0.00 0.00 60.65 57.59 2vko s ILE 65 Cb -0.15 -2.21 -0.12 0.00 -1.58 0.00 0.00 42.46 38.40 2vko s ILE 65 CO 0.13 0.48 1.76 -0.62 -1.23 0.00 0.00 174.94 175.47 2vko n GLU 66 N 4.61 2.57 -0.76 2.79 1.02 -1.26 -1.86 120.64 127.74 2vko n GLU 66 Ca -0.19 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 2vko n GLU 66 Cb 0.51 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 2vko n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vko n GLY 67 N 4.02 0.69 0.37 0.62 0.00 -1.26 -4.95 105.19 104.67 2vko n GLY 67 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 2vko n GLY 67 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2vko h MET 68 N 2.17 0.98 -0.65 1.61 -1.53 -1.81 -1.50 114.93 114.21 2vko h MET 68 Ca 0.00 -0.06 0.05 0.00 -3.44 0.00 0.00 59.70 56.25 2vko h MET 68 Cb 0.00 -0.22 -0.05 0.00 -0.55 0.00 0.00 31.60 30.78 2vko h MET 68 CO 0.00 0.65 0.37 0.93 0.14 0.00 0.00 176.91 179.00 2vko h GLU 69 N 1.01 0.68 -0.50 0.39 5.08 -1.93 0.10 114.58 119.42 2vko h GLU 69 Ca 0.42 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.63 2vko h GLU 69 Cb 0.29 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2vko h GLU 69 CO -0.17 0.45 -0.14 1.25 -1.00 0.00 0.00 179.01 179.40 2vko h LEU 70 N 0.70 0.95 -0.69 1.33 5.85 -1.72 -1.65 115.31 120.07 2vko h LEU 70 Ca 0.28 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 2vko h LEU 70 Cb 0.13 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2vko h LEU 70 CO -0.16 1.08 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.84 2vko h LEU 71 N 0.84 0.89 -0.75 2.25 3.38 -0.87 -1.17 115.31 119.87 2vko h LEU 71 Ca 0.13 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2vko h LEU 71 Cb 0.68 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2vko h LEU 71 CO 0.05 1.01 0.21 0.11 0.09 0.00 0.00 178.44 179.92 2vko h LYS 72 N 0.80 1.15 -0.67 1.13 1.57 -0.85 -1.24 116.57 118.47 2vko h LYS 72 Ca 0.13 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 2vko h LYS 72 Cb 0.64 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2vko h LYS 72 CO 0.04 0.99 0.12 0.93 -0.57 0.00 0.00 179.45 180.96 2vko h GLU 73 N 1.10 1.10 -0.47 3.15 5.08 -0.89 0.65 114.58 124.31 2vko h GLU 73 Ca 0.24 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2vko h GLU 73 Cb 0.33 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2vko h GLU 73 CO -0.00 1.00 0.20 0.87 -1.00 0.00 0.00 179.01 180.08 2vko h LYS 74 N 1.02 0.70 -0.67 2.33 1.57 -0.94 -0.73 116.57 119.85 2vko h LYS 74 Ca 0.20 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2vko h LYS 74 Cb 0.43 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2vko h LYS 74 CO 0.01 0.62 0.37 -0.22 -0.57 0.00 0.00 179.45 179.66 2vko h LYS 75 N 0.62 0.93 -0.74 3.15 1.63 -0.91 -1.51 116.57 119.75 2vko h LYS 75 Ca 0.16 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2vko h LYS 75 Cb 0.17 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 2vko h LYS 75 CO -0.02 0.70 0.44 0.00 -3.45 0.00 0.00 179.45 177.13 2vko h ALA 76 N 1.18 0.95 -0.50 5.00 0.00 -0.42 0.13 119.26 125.60 2vko h ALA 76 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2vko h ALA 76 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2vko h ALA 76 CO -0.04 0.42 0.20 -0.09 0.00 0.00 0.00 179.25 179.75 2vko h ARG 77 N 1.02 0.75 -0.83 0.00 2.43 -0.89 -1.15 114.38 115.70 2vko h ARG 77 Ca 0.27 -0.14 0.15 0.00 -0.81 0.00 0.00 59.98 59.45 2vko h ARG 77 Cb -0.02 -0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 29.31 2vko h ARG 77 CO -0.05 0.67 0.41 1.03 -1.51 0.00 0.00 179.97 180.52 2vko h SER 78 N 0.67 0.48 -0.31 -3.80 0.87 -0.73 -1.42 113.55 109.31 2vko h SER 78 Ca 0.17 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 2vko h SER 78 Cb 0.20 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2vko h SER 78 CO -0.01 0.19 0.06 -0.07 -0.53 0.00 0.00 176.83 176.46 2vko h LEU 79 N 0.58 0.48 -0.49 2.23 3.38 -0.11 -0.96 115.31 120.42 2vko h LEU 79 Ca 0.46 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 58.27 2vko h LEU 79 Cb 0.67 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 2vko h LEU 79 CO -0.38 0.61 -0.13 0.40 0.09 0.00 0.00 178.44 179.04 2vko h ILE 80 N 0.33 0.51 -0.48 1.22 2.04 -1.04 0.18 117.51 120.26 2vko h ILE 80 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 2vko h ILE 80 Cb 0.33 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2vko h ILE 80 CO 0.00 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.40 2vko h ALA 81 N 1.48 0.61 -0.22 1.87 0.00 -0.84 0.79 119.26 122.96 2vko h ALA 81 Ca 0.24 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2vko h ALA 81 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2vko h ALA 81 CO -0.51 -0.10 0.01 0.93 0.00 0.00 0.00 179.25 179.59 2vko h GLU 82 N 0.49 0.38 -0.81 0.00 5.08 -0.94 -2.45 114.58 116.34 2vko h GLU 82 Ca 0.21 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2vko h GLU 82 Cb 0.11 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2vko h GLU 82 CO -0.14 0.55 0.53 0.78 -1.00 0.00 0.00 179.01 179.73 2vko h GLY 83 N 0.16 1.12 0.90 -3.84 0.00 0.06 -0.52 103.07 100.95 2vko h GLY 83 Ca 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2vko h GLY 83 CO 0.01 0.26 0.07 0.50 0.00 0.00 0.00 176.54 177.38 2vko h LYS 84 N 0.88 0.53 -0.11 4.80 1.79 0.80 0.92 116.57 126.19 2vko h LYS 84 Ca 0.35 -0.13 -0.10 0.00 -2.18 0.00 0.00 60.65 58.58 2vko h LYS 84 Cb 0.23 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2vko h LYS 84 CO -0.12 0.60 -0.39 -0.44 -1.08 0.00 0.00 179.45 178.02 2vko h ASP 85 N 0.37 0.25 0.04 0.86 3.45 -0.97 0.15 116.42 120.57 2vko h ASP 85 Ca 0.10 -0.10 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 2vko h ASP 85 Cb 0.32 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 2vko h ASP 85 CO 0.00 0.63 -0.02 -0.07 -1.57 0.00 0.00 179.24 178.21 2vko h LEU 86 N 0.21 -0.04 -0.45 1.55 -0.00 -1.02 -2.51 115.31 113.05 2vko h LEU 86 Ca 0.02 -0.16 0.08 0.00 -0.00 0.00 0.00 57.88 57.82 2vko h LEU 86 Cb 0.79 0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 41.39 2vko h LEU 86 CO 0.06 0.13 0.04 0.15 -0.00 0.00 0.00 178.44 178.83 2vko h PHE 87 N -0.21 0.06 0.00 1.13 3.57 -0.38 0.69 116.94 121.80 2vko h PHE 87 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2vko h PHE 87 Cb 0.19 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2vko h PHE 87 CO -0.02 -0.05 0.00 0.39 -2.23 0.00 0.00 178.31 176.40 2vko n GLU 88 N -5.16 0.33 -0.13 1.11 1.02 0.47 -1.33 120.64 116.95 2vko n GLU 88 Ca 0.04 0.08 0.04 0.00 -0.02 0.00 0.00 57.16 57.30 2vko n GLU 88 Cb 0.23 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.26 2vko n GLU 88 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2vko n THR 89 N -1.28 0.91 -2.15 2.62 -2.24 -0.84 -4.98 114.28 106.32 2vko n THR 89 Ca 0.11 -0.96 -0.13 0.00 -2.27 0.00 0.00 64.05 60.80 2vko n THR 89 Cb 0.17 0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 68.95 2vko n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vko n ALA 90 N 0.33 -0.36 -2.10 6.98 0.00 -0.45 -4.92 120.51 119.98 2vko n ALA 90 Ca 0.09 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 2vko n ALA 90 Cb 0.38 -1.55 -0.00 0.00 0.00 0.00 0.00 19.45 18.27 2vko n ALA 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2vko n ASN 91 N -0.46 7.22 -0.10 0.00 4.13 0.17 -4.81 115.26 121.40 2vko n ASN 91 Ca -0.15 -3.14 -0.04 0.00 1.68 0.00 0.00 54.58 52.92 2vko n ASN 91 Cb 0.60 -1.39 0.16 0.00 -1.54 0.00 0.00 39.78 37.61 2vko n ASN 91 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 2vko h TYR 92 N 4.92 0.83 -0.24 3.10 0.05 -1.87 1.00 116.97 124.76 2vko h TYR 92 Ca 0.61 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 59.26 2vko h TYR 92 Cb 0.40 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 2vko h TYR 92 CO 1.50 0.78 0.10 0.78 -1.05 0.00 0.00 178.16 180.26 2vko h GLY 93 N 0.97 0.38 1.12 3.88 0.00 -1.91 0.09 103.07 107.60 2vko h GLY 93 Ca 0.14 -0.21 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 2vko h GLY 93 CO 0.02 0.20 -0.50 -2.09 0.00 0.00 0.00 176.54 174.16 2vko h GLU 94 N 0.24 0.86 -0.60 4.80 4.57 -1.90 -3.05 114.58 119.50 2vko h GLU 94 Ca 0.08 -0.53 0.08 0.00 -1.18 0.00 0.00 59.36 57.81 2vko h GLU 94 Cb 0.17 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 2vko h GLU 94 CO -0.01 1.17 0.26 0.00 -1.18 0.00 0.00 179.01 179.25 2vko h ALA 95 N 0.68 0.78 -0.55 2.92 0.00 -0.64 -1.44 119.26 121.00 2vko h ALA 95 Ca 0.02 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2vko h ALA 95 Cb 1.11 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 2vko h ALA 95 CO 0.11 -0.13 0.16 1.25 0.00 0.00 0.00 179.25 180.65 2vko h LEU 96 N 0.47 0.12 -0.47 0.00 6.46 -0.91 -1.37 115.31 119.61 2vko h LEU 96 Ca 0.29 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 58.16 2vko h LEU 96 Cb 0.30 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.28 2vko h LEU 96 CO -0.25 0.08 0.25 0.58 -0.62 0.00 0.00 178.44 178.48 2vko h VAL 97 N 0.32 1.00 -0.51 1.05 2.07 -1.18 -0.20 116.25 118.80 2vko h VAL 97 Ca 0.28 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2vko h VAL 97 Cb 0.36 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2vko h VAL 97 CO -0.32 0.09 0.26 -0.26 0.02 0.00 0.00 177.57 177.36 2vko h PHE 98 N 0.51 0.73 -0.26 1.57 -1.00 -0.74 -1.52 116.94 116.22 2vko h PHE 98 Ca 0.20 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.92 2vko h PHE 98 Cb 0.07 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 2vko h PHE 98 CO -0.09 0.56 0.07 0.74 -1.61 0.00 0.00 178.31 177.99 2vko h PHE 99 N 0.68 0.44 -0.24 -0.55 0.05 -1.01 0.93 116.94 117.23 2vko h PHE 99 Ca 0.18 -0.05 0.06 0.00 3.82 0.00 0.00 57.97 61.97 2vko h PHE 99 Cb 0.10 -0.12 -0.06 0.00 2.00 0.00 0.00 35.95 37.87 2vko h PHE 99 CO -0.01 0.49 -0.13 1.49 -0.18 0.00 0.00 178.31 179.97 2vko h GLU 100 N 0.26 -0.10 -0.32 1.51 4.81 -1.01 0.14 114.58 119.86 2vko h GLU 100 Ca 0.08 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2vko h GLU 100 Cb 0.27 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2vko h GLU 100 CO -0.00 -0.07 0.18 -0.22 -0.73 0.00 0.00 179.01 178.17 2vko h LYS 101 N -0.10 0.36 -0.46 1.92 3.64 -1.01 -2.05 116.57 118.86 2vko h LYS 101 Ca 0.13 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 2vko h LYS 101 Cb 0.30 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 2vko h LYS 101 CO -0.31 0.24 0.18 0.00 -2.27 0.00 0.00 179.45 177.29 2vko h ALA 102 N 1.15 0.57 -0.16 5.00 0.00 -0.53 -0.43 119.26 124.85 2vko h ALA 102 Ca 0.13 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2vko h ALA 102 Cb 0.01 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2vko h ALA 102 CO -0.07 -0.20 -0.20 1.25 0.00 0.00 0.00 179.25 180.03 2vko h LEU 103 N 0.36 -0.61 -0.02 0.00 6.46 -0.43 -2.70 115.31 118.37 2vko h LEU 103 Ca 0.22 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 2vko h LEU 103 Cb 0.20 0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2vko h LEU 103 CO -0.21 -0.24 0.00 0.59 -0.62 0.00 0.00 178.44 177.96 2vko n ASN 104 N -5.34 0.64 0.08 1.25 3.02 -0.80 -3.90 115.26 110.22 2vko n ASN 104 Ca -0.02 0.56 -0.22 0.00 -0.03 0.00 0.00 54.58 54.87 2vko n ASN 104 Cb 0.25 -0.73 -0.14 0.00 -0.61 0.00 0.00 39.78 38.54 2vko n ASN 104 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2vko h LEU 105 N 0.00 0.67-10.22 3.41 5.85 -0.75 -3.47 115.31 110.80 2vko h LEU 105 Ca 0.00 -0.90 -0.46 0.00 0.84 0.00 0.00 57.88 57.36 2vko h LEU 105 Cb 0.68 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2vko h LEU 105 CO 0.00 1.51 -0.41 -0.55 -0.34 0.00 0.00 178.44 178.66 2vko s SER 106 N -7.22 6.15 -0.05 1.25 0.15 -1.14 -4.86 113.70 107.99 2vko s SER 106 Ca -0.11 -0.04 0.11 0.00 0.70 0.00 0.00 55.95 56.61 2vko s SER 106 Cb 0.03 -1.62 0.33 0.00 -1.71 0.00 0.00 66.02 63.05 2vko s SER 106 CO 0.88 -0.19 1.27 0.47 1.20 0.00 0.00 173.24 176.88 2vko n ASP 107 N -1.47 3.07 -4.66 5.45 10.43 -1.26 -4.93 116.55 123.18 2vko n ASP 107 Ca -0.06 -2.29 -0.43 0.00 2.57 0.00 0.00 54.79 54.59 2vko n ASP 107 Cb 0.57 -0.30 -0.02 0.00 1.84 0.00 0.00 41.12 43.21 2vko n ASP 107 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 2vko s ASN 108 N -1.29 6.81 0.17 -2.24 3.84 -1.26 -4.94 114.94 116.04 2vko s ASN 108 Ca 0.26 1.96 -0.14 0.00 0.21 0.00 0.00 52.86 55.15 2vko s ASN 108 Cb 0.17 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.45 2vko s ASN 108 CO 0.12 -0.84 1.77 -0.33 -2.79 0.00 0.00 177.10 175.03 2vko h GLU 109 N 8.86 0.41 -0.13 0.43 5.08 -1.98 0.13 114.58 127.37 2vko h GLU 109 Ca -0.33 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.03 2vko h GLU 109 Cb 1.14 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2vko h GLU 109 CO 0.96 0.27 0.00 1.49 -1.00 0.00 0.00 179.01 180.74 2vko h GLU 110 N 0.42 0.05 -0.15 2.33 4.81 -1.99 0.94 114.58 120.99 2vko h GLU 110 Ca 0.21 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2vko h GLU 110 Cb 0.15 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2vko h GLU 110 CO -0.17 0.03 0.08 0.82 -0.73 0.00 0.00 179.01 179.05 2vko h ILE 111 N 0.05 1.09 -0.50 2.32 2.04 -1.91 -0.40 117.51 120.20 2vko h ILE 111 Ca 0.06 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.71 2vko h ILE 111 Cb 0.07 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2vko h ILE 111 CO -0.10 0.08 0.33 0.11 0.00 0.00 0.00 178.15 178.57 2vko h LYS 112 N 0.15 0.57 -0.06 2.37 1.57 -0.79 0.19 116.57 120.57 2vko h LYS 112 Ca 0.05 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2vko h LYS 112 Cb 0.06 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2vko h LYS 112 CO -0.01 0.38 -0.22 0.87 -0.57 0.00 0.00 179.45 179.90 2vko h LYS 113 N 0.59 0.25 -0.16 3.15 1.57 -0.24 -1.37 116.57 120.36 2vko h LYS 113 Ca 0.19 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2vko h LYS 113 Cb 0.05 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2vko h LYS 113 CO -0.05 0.83 0.06 0.82 -0.57 0.00 0.00 179.45 180.54 2vko h ILE 114 N -0.28 1.17 -0.27 1.86 2.04 -0.88 -1.65 117.51 119.50 2vko h ILE 114 Ca -0.01 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.39 2vko h ILE 114 Cb 0.87 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 38.09 2vko h ILE 114 CO 0.05 0.16 -0.19 0.00 0.00 0.00 0.00 178.15 178.16 2vko h ALA 115 N 0.89 -0.02 -0.96 1.87 0.00 -1.04 -1.63 119.26 118.37 2vko h ALA 115 Ca 0.05 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2vko h ALA 115 Cb 0.20 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2vko h ALA 115 CO -0.00 -0.60 0.64 0.77 0.00 0.00 0.00 179.25 180.05 2vko h SER 116 N -0.18 1.09 -0.06 0.00 0.02 -1.15 0.27 113.55 113.55 2vko h SER 116 Ca 0.15 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2vko h SER 116 Cb 0.40 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2vko h SER 116 CO -0.38 0.78 0.03 0.15 -1.14 0.00 0.00 176.83 176.28 2vko h PHE 117 N 1.29 0.07 -0.23 3.45 3.57 -1.00 -2.58 116.94 121.51 2vko h PHE 117 Ca 0.36 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.69 2vko h PHE 117 Cb -0.12 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 2vko h PHE 117 CO -0.00 0.09 -0.55 1.88 -2.23 0.00 0.00 178.31 177.50 2vko h TYR 118 N 0.04 0.87 -0.94 0.41 -1.99 -0.89 -2.64 116.97 111.83 2vko h TYR 118 Ca 0.02 -0.31 0.13 0.00 2.00 0.00 0.00 58.73 60.57 2vko h TYR 118 Cb 0.04 -0.16 -0.09 0.00 2.00 0.00 0.00 36.73 38.52 2vko h TYR 118 CO -0.06 1.08 0.56 -0.07 -0.00 0.00 0.00 178.16 179.67 2vko h LEU 119 N 0.53 0.78 -0.05 3.88 3.38 -0.40 0.59 115.31 124.03 2vko h LEU 119 Ca 0.01 0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 2vko h LEU 119 Cb 1.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2vko h LEU 119 CO 0.11 0.39 -1.01 -0.33 0.09 0.00 0.00 178.44 177.69 2vko h GLU 120 N 0.85 0.06 -0.45 1.13 4.39 -1.30 -0.89 114.58 118.38 2vko h GLU 120 Ca 0.48 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 60.05 2vko h GLU 120 Cb 0.56 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2vko h GLU 120 CO -0.30 1.01 0.13 0.93 -1.16 0.00 0.00 179.01 179.62 2vko h GLU 121 N 0.02 0.70 -0.79 2.33 4.39 -1.06 -1.42 114.58 118.76 2vko h GLU 121 Ca -0.03 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 2vko h GLU 121 Cb 1.74 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 30.26 2vko h GLU 121 CO 0.14 0.69 0.37 0.00 -1.16 0.00 0.00 179.01 179.04 2vko h ARG 123 N 1.13 0.68 -0.37 0.00 3.08 -0.97 -1.74 114.38 116.18 2vko h ARG 123 Ca 0.27 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 2vko h ARG 123 Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2vko h ARG 123 CO -0.03 0.64 -0.16 0.87 -1.07 0.00 0.00 179.97 180.22 2vko h LYS 124 N 0.66 0.76 0.00 0.04 1.57 -0.57 -1.66 116.57 117.37 2vko h LYS 124 Ca 0.15 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 2vko h LYS 124 Cb 0.29 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2vko h LYS 124 CO 0.00 0.94 -0.17 0.87 -0.57 0.00 0.00 179.45 180.52 2vko h LYS 125 N 0.56 0.00 -0.02 3.15 1.79 -0.94 -2.79 116.57 118.32 2vko h LYS 125 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2vko h LYS 125 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2vko h LYS 125 CO 0.05 0.17 -0.18 1.28 -1.08 0.00 0.00 179.45 179.70 2vko n LEU 126 N -3.84 2.38 -0.25 2.94 4.77 -0.68 -4.57 117.00 117.76 2vko n LEU 126 Ca -0.02 -0.90 -0.07 0.00 -0.03 0.00 0.00 56.01 54.99 2vko n LEU 126 Cb 0.27 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2vko n LEU 126 CO 0.33 0.42 0.97 0.00 -1.33 0.00 0.00 177.39 177.77 2vko h ALA 127 N 3.85 0.90 0.00 -1.18 0.00 -1.01 -3.47 119.26 118.35 2vko h ALA 127 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2vko h ALA 127 Cb 0.79 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2vko h ALA 127 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24 2vko n GLY 128 N -0.73 0.92 0.90 0.00 0.00 -1.26 -5.12 105.19 99.90 2vko n GLY 128 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2vko n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54