#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kov h ARG 3 N 0.00 0.19 -6.70 1.61 3.08 -2.13 -3.39 114.38 107.04 3kov h ARG 3 Ca 0.00 -0.01 -0.68 0.00 0.07 0.00 0.00 59.98 59.36 3kov h ARG 3 Cb 0.00 -0.04 -0.21 0.00 0.08 0.00 0.00 29.97 29.80 3kov h ARG 3 CO 0.00 0.13 -0.82 0.15 -1.07 0.00 0.00 179.97 178.36 3kov s LYS 4 N -6.07 1.83 0.47 0.04 1.02 -1.26 -5.13 119.74 110.64 3kov s LYS 4 Ca -0.13 -1.13 -0.20 0.00 0.02 0.00 0.00 55.97 54.53 3kov s LYS 4 Cb 0.21 -2.10 -0.09 0.00 -0.52 0.00 0.00 37.83 35.33 3kov s LYS 4 CO 0.75 0.50 1.00 0.21 -0.92 0.00 0.00 175.35 176.89 3kov s LYS 5 N -1.82 3.98 0.06 1.68 2.20 -1.26 -5.08 119.74 119.50 3kov s LYS 5 Ca 0.16 1.23 0.05 0.00 -0.36 0.00 0.00 55.97 57.04 3kov s LYS 5 Cb -0.10 -2.13 -0.03 0.00 -1.51 0.00 0.00 37.83 34.06 3kov s LYS 5 CO 0.07 -0.26 -0.13 0.96 -0.36 0.00 0.00 175.35 175.63 3kov s ILE 6 N -2.12 1.02 -0.13 5.43 -0.00 -1.26 -5.10 121.20 119.04 3kov s ILE 6 Ca 0.64 -1.19 -0.22 0.00 -0.00 0.00 0.00 60.65 59.88 3kov s ILE 6 Cb -0.13 -0.98 -0.03 0.00 -0.00 0.00 0.00 42.46 41.32 3kov s ILE 6 CO 0.18 -0.19 0.67 -1.10 -0.00 0.00 0.00 174.94 174.50 3kov s GLN 7 N -1.57 4.33 -0.15 0.37 -1.52 -1.26 -4.99 119.66 114.88 3kov s GLN 7 Ca -0.02 0.76 -0.29 0.00 -1.95 0.00 0.00 55.36 53.85 3kov s GLN 7 Cb -0.09 -3.51 -0.07 0.00 -0.22 0.00 0.00 33.01 29.12 3kov s GLN 7 CO 0.02 -0.09 2.14 -0.89 -0.25 0.00 0.00 175.29 176.22 3kov n ILE 8 N 4.22 0.47 -3.62 1.08 2.08 -1.26 -4.86 119.36 117.47 3kov n ILE 8 Ca -0.01 -0.34 -0.04 0.00 0.56 0.00 0.00 62.75 62.91 3kov n ILE 8 Cb 0.50 -2.41 -0.04 0.00 -0.75 0.00 0.00 39.64 36.95 3kov n ILE 8 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3kov s THR 9 N 6.96 0.00 -0.21 1.39 -4.23 -1.26 -5.11 115.64 113.18 3kov s THR 9 Ca 0.98 0.00 -0.36 0.00 -1.18 0.00 0.00 61.69 61.12 3kov s THR 9 Cb -0.41 -1.00 -0.13 0.00 1.34 0.00 0.00 72.50 72.30 3kov s THR 9 CO 0.39 0.00 1.92 -1.14 -0.54 0.00 0.00 174.62 175.25 3kov n ARG 10 N 0.38 1.60 -1.61 3.99 0.63 -1.26 -4.82 116.66 115.57 3kov n ARG 10 Ca -0.02 0.56 -0.45 0.00 -0.92 0.00 0.00 57.85 57.02 3kov n ARG 10 Cb 0.58 -2.45 -0.04 0.00 0.45 0.00 0.00 32.46 31.00 3kov n ARG 10 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3kov n ILE 11 N 5.53 0.46 0.15 5.15 2.08 -1.26 -4.83 119.36 126.65 3kov n ILE 11 Ca 0.28 -0.30 0.01 0.00 0.56 0.00 0.00 62.75 63.31 3kov n ILE 11 Cb 0.23 -2.25 0.21 0.00 -0.75 0.00 0.00 39.64 37.08 3kov n ILE 11 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 3kov h MET 12 N 12.62 0.00 -6.05 0.38 2.86 -2.01 -3.42 114.93 119.31 3kov h MET 12 Ca -0.42 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 56.73 3kov h MET 12 Cb 1.26 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.86 3kov h MET 12 CO 0.96 0.54 1.18 0.34 1.06 0.00 0.00 176.91 180.99 3kov s ASP 13 N -6.64 5.64 0.64 1.22 2.15 -1.26 -4.86 116.67 113.57 3kov s ASP 13 Ca -0.00 -0.28 0.11 0.00 0.43 0.00 0.00 52.55 52.81 3kov s ASP 13 Cb 0.11 -2.55 0.39 0.00 -0.30 0.00 0.00 42.92 40.57 3kov s ASP 13 CO 0.73 -2.19 1.14 -0.33 -0.17 0.00 0.00 175.17 174.35 3kov h GLU 14 N 12.31 0.00 0.00 4.34 4.39 -2.00 -0.77 114.58 132.86 3kov h GLU 14 Ca -0.15 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.40 3kov h GLU 14 Cb 1.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 3kov h GLU 14 CO 1.26 0.00 -1.03 0.54 -1.16 0.00 0.00 179.01 178.62 3kov n ARG 15 N -2.80 0.52 0.17 2.33 1.74 -1.26 -3.15 116.66 114.21 3kov n ARG 15 Ca 0.09 0.55 0.04 0.00 -0.77 0.00 0.00 57.85 57.76 3kov n ARG 15 Cb 1.19 -1.72 0.47 0.00 -1.02 0.00 0.00 32.46 31.38 3kov n ARG 15 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 3kov h ASN 16 N -1.00 0.13 0.38 0.55 -0.73 -1.61 0.14 115.58 113.44 3kov h ASN 16 Ca -0.23 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 57.92 3kov h ASN 16 Cb 1.02 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.56 3kov h ASN 16 CO -0.14 0.25 -0.35 -0.09 -0.37 0.00 0.00 177.43 176.73 3kov h ARG 17 N 0.14 -0.72 -0.14 6.67 2.43 -1.38 0.36 114.38 121.73 3kov h ARG 17 Ca 0.03 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3kov h ARG 17 Cb 0.27 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3kov h ARG 17 CO 0.02 -0.48 0.06 0.37 -1.51 0.00 0.00 179.97 178.42 3kov h GLN 18 N -0.75 0.20 0.05 0.20 -0.00 -0.96 0.27 115.11 114.12 3kov h GLN 18 Ca -0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3kov h GLN 18 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.10 3kov h GLN 18 CO -0.04 0.17 -0.02 0.28 0.00 0.00 0.00 178.83 179.21 3kov h VAL 19 N 0.20 1.23 -0.65 2.39 2.07 -0.55 -3.09 116.25 117.84 3kov h VAL 19 Ca 0.05 -1.65 0.08 0.00 0.82 0.00 0.00 66.70 66.00 3kov h VAL 19 Cb 0.05 2.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.95 3kov h VAL 19 CO -0.01 0.37 0.30 0.74 0.02 0.00 0.00 177.57 179.00 3kov h THR 20 N -0.89 0.84 -0.37 2.57 2.02 0.16 -1.76 112.91 115.48 3kov h THR 20 Ca -0.01 -0.18 0.07 0.00 0.77 0.00 0.00 66.41 67.06 3kov h THR 20 Cb 0.66 0.27 -0.09 0.00 -1.74 0.00 0.00 68.15 67.25 3kov h THR 20 CO 0.01 0.10 -0.37 0.15 0.37 0.00 0.00 175.52 175.77 3kov h PHE 21 N 0.53 -1.06 -0.56 3.16 3.57 -1.05 0.44 116.94 121.97 3kov h PHE 21 Ca 0.31 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.90 3kov h PHE 21 Cb 0.33 0.52 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 3kov h PHE 21 CO -0.13 -0.41 0.33 1.15 -2.23 0.00 0.00 178.31 177.02 3kov h THR 22 N -0.31 1.04 0.73 4.41 2.02 -1.27 0.44 112.91 119.98 3kov h THR 22 Ca 0.15 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 3kov h THR 22 Cb 0.57 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3kov h THR 22 CO -0.54 0.12 -0.35 0.11 0.37 0.00 0.00 175.52 175.23 3kov h LYS 23 N 0.65 -0.95 -0.72 6.66 1.57 -0.68 -3.11 116.57 119.99 3kov h LYS 23 Ca 0.23 0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3kov h LYS 23 Cb 0.04 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3kov h LYS 23 CO -0.11 -0.61 0.24 0.00 -0.57 0.00 0.00 179.45 178.41 3kov h ARG 24 N -1.17 1.11 -0.97 3.15 3.08 -0.89 -2.08 114.38 116.62 3kov h ARG 24 Ca -0.10 -0.23 0.24 0.00 0.07 0.00 0.00 59.98 59.97 3kov h ARG 24 Cb 0.77 -0.17 -0.13 0.00 0.08 0.00 0.00 29.97 30.53 3kov h ARG 24 CO 0.16 0.94 0.52 -0.22 -1.07 0.00 0.00 179.97 180.30 3kov h LYS 25 N 1.06 0.47 -0.32 0.04 3.64 -0.96 0.52 116.57 121.03 3kov h LYS 25 Ca 0.24 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.43 3kov h LYS 25 Cb 0.28 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3kov h LYS 25 CO -0.01 0.31 -0.39 0.35 -2.27 0.00 0.00 179.45 177.44 3kov h PHE 26 N 0.49 1.01 -0.13 1.91 3.57 -1.31 -1.65 116.94 120.83 3kov h PHE 26 Ca 0.62 -0.32 0.02 0.00 3.53 0.00 0.00 57.97 61.82 3kov h PHE 26 Cb 1.22 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 3kov h PHE 26 CO -0.05 1.12 0.01 0.78 -2.23 0.00 0.00 178.31 177.94 3kov h GLY 27 N 0.61 0.14 -0.07 2.40 0.00 0.08 0.20 103.07 106.42 3kov h GLY 27 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.41 3kov h GLY 27 CO 0.09 -0.01 -0.48 -2.00 0.00 0.00 0.00 176.54 174.14 3kov h LEU 28 N 0.06 -1.52 -1.21 3.11 5.85 -0.08 0.14 115.31 121.67 3kov h LEU 28 Ca 0.06 0.19 0.06 0.00 0.84 0.00 0.00 57.88 59.03 3kov h LEU 28 Cb 0.06 0.61 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 3kov h LEU 28 CO -0.09 -0.46 0.56 0.24 -0.34 0.00 0.00 178.44 178.35 3kov h MET 29 N -0.53 0.93 0.27 1.25 2.86 -0.80 -0.19 114.93 118.71 3kov h MET 29 Ca 0.06 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3kov h MET 29 Cb 0.66 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3kov h MET 29 CO -0.43 0.61 -0.13 -0.22 1.06 0.00 0.00 176.91 177.81 3kov h LYS 30 N 0.96 -0.35 0.08 1.72 3.64 0.65 0.26 116.57 123.53 3kov h LYS 30 Ca 0.37 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.78 3kov h LYS 30 Cb 0.21 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 3kov h LYS 30 CO -0.13 -0.20 -0.50 0.87 -2.27 0.00 0.00 179.45 177.22 3kov h LYS 31 N -0.41 -0.66 -0.79 1.90 1.79 -0.51 0.35 116.57 118.24 3kov h LYS 31 Ca -0.04 0.05 0.18 0.00 -2.18 0.00 0.00 60.65 58.66 3kov h LYS 31 Cb 0.31 0.15 -0.14 0.00 -1.58 0.00 0.00 32.23 30.97 3kov h LYS 31 CO 0.06 -0.44 -0.06 0.00 -1.08 0.00 0.00 179.45 177.93 3kov h ALA 32 N -0.58 0.74 -0.07 3.86 0.00 -0.80 0.56 119.26 122.98 3kov h ALA 32 Ca -0.00 0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3kov h ALA 32 Cb 0.70 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3kov h ALA 32 CO -0.29 -0.43 -0.49 -0.92 0.00 0.00 0.00 179.25 177.12 3kov h TYR 33 N 0.06 -1.42 -0.66 0.00 3.20 0.62 0.14 116.97 118.90 3kov h TYR 33 Ca 0.42 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.33 3kov h TYR 33 Cb 0.73 0.63 -0.03 0.00 1.54 0.00 0.00 36.73 39.60 3kov h TYR 33 CO -0.50 -0.53 0.37 0.93 -1.64 0.00 0.00 178.16 176.79 3kov h GLU 34 N -0.59 0.92 0.36 1.82 5.08 0.20 -1.78 114.58 120.59 3kov h GLU 34 Ca 0.04 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3kov h GLU 34 Cb 0.68 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3kov h GLU 34 CO -0.38 0.69 -0.17 1.25 -1.00 0.00 0.00 179.01 179.39 3kov h LEU 35 N 0.90 -0.41 -0.91 1.33 5.85 -0.25 0.41 115.31 122.24 3kov h LEU 35 Ca 0.23 -0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.21 3kov h LEU 35 Cb 0.03 0.11 -0.17 0.00 0.37 0.00 0.00 40.66 41.00 3kov h LEU 35 CO -0.04 -0.27 0.07 -0.24 -0.34 0.00 0.00 178.44 177.63 3kov n SER 36 N -5.28 -0.06 -0.09 1.25 2.88 0.45 -1.89 113.62 110.89 3kov n SER 36 Ca -0.10 1.54 -0.16 0.00 -1.33 0.00 0.00 58.87 58.82 3kov n SER 36 Cb 0.22 -0.58 -0.10 0.00 -0.75 0.00 0.00 64.21 62.99 3kov n SER 36 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3kov h VAL 37 N 0.00 1.04 -0.86 2.46 2.07 -0.38 -1.86 116.25 118.72 3kov h VAL 37 Ca 0.58 -2.02 0.17 0.00 0.82 0.00 0.00 66.70 66.25 3kov h VAL 37 Cb 1.24 2.20 -0.10 0.00 -1.52 0.00 0.00 31.29 33.11 3kov h VAL 37 CO -0.84 0.35 0.42 -0.07 0.02 0.00 0.00 177.57 177.46 3kov h LEU 38 N -1.00 0.46 -2.76 2.57 3.38 -0.04 -3.01 115.31 114.92 3kov h LEU 38 Ca -0.17 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kov h LEU 38 Cb 1.02 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3kov h LEU 38 CO -0.10 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3kov n ASP 40 N 0.38 -4.99 -4.60 0.00 2.03 -0.93 -4.99 116.55 103.46 3kov n ASP 40 Ca 0.09 -0.63 -0.25 0.00 0.52 0.00 0.00 54.79 54.52 3kov n ASP 40 Cb 0.39 -4.69 -0.08 0.00 -0.72 0.00 0.00 41.12 36.01 3kov n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kov s GLU 42 N -3.16 4.23 -0.02 0.00 2.02 -1.26 -4.50 118.70 116.00 3kov s GLU 42 Ca 0.28 0.10 0.04 0.00 0.02 0.00 0.00 54.97 55.40 3kov s GLU 42 Cb -0.08 -3.46 -0.01 0.00 0.10 0.00 0.00 34.13 30.69 3kov s GLU 42 CO 0.17 0.16 -0.14 0.42 0.02 0.00 0.00 175.26 175.89 3kov s ILE 43 N 0.72 1.13 -0.05 -1.63 1.01 -1.26 -4.99 121.20 116.13 3kov s ILE 43 Ca 0.17 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3kov s ILE 43 Cb -0.13 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.38 3kov s ILE 43 CO 0.05 0.33 -0.14 0.00 0.00 0.00 0.00 174.94 175.18 3kov s ALA 44 N -0.09 1.29 -0.08 9.38 0.00 -1.26 -0.69 121.76 130.31 3kov s ALA 44 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3kov s ALA 44 Cb -0.08 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.58 3kov s ALA 44 CO 0.00 0.19 -0.05 -1.17 0.00 0.00 0.00 175.76 174.74 3kov s LEU 45 N 0.28 1.12 -0.11 0.00 2.96 0.22 -5.00 118.68 118.15 3kov s LEU 45 Ca -0.07 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 3kov s LEU 45 Cb -0.12 -0.62 0.01 0.00 0.50 0.00 0.00 46.19 45.96 3kov s LEU 45 CO 0.02 -0.10 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.14 3kov s ILE 46 N 1.42 1.71 -0.02 6.68 1.01 -1.26 -0.95 121.20 129.79 3kov s ILE 46 Ca -0.02 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.89 3kov s ILE 46 Cb -0.13 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3kov s ILE 46 CO -0.03 0.48 -0.16 -0.63 0.00 0.00 0.00 174.94 174.60 3kov s ILE 47 N 0.79 1.30 -0.16 2.92 1.01 0.89 -5.01 121.20 122.94 3kov s ILE 47 Ca -0.10 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3kov s ILE 47 Cb -0.16 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.26 3kov s ILE 47 CO 0.01 0.37 -0.10 -0.36 0.00 0.00 0.00 174.94 174.86 3kov s PHE 48 N -0.32 2.03 0.99 3.97 0.40 -1.26 -0.94 117.98 122.87 3kov s PHE 48 Ca 0.05 -1.24 -0.12 0.00 -0.60 0.00 0.00 56.93 55.01 3kov s PHE 48 Cb -0.07 -1.49 0.18 0.00 0.51 0.00 0.00 43.02 42.16 3kov s PHE 48 CO -0.00 -0.66 1.09 0.54 0.70 0.00 0.00 175.22 176.89 3kov s ASN 49 N 1.53 2.67 0.57 1.36 2.20 -0.66 -4.77 114.94 117.84 3kov s ASN 49 Ca 0.02 1.22 0.38 0.00 -0.94 0.00 0.00 52.86 53.54 3kov s ASN 49 Cb -0.15 -1.88 1.49 0.00 -2.00 0.00 0.00 41.25 38.71 3kov s ASN 49 CO -0.09 -3.10 1.65 0.77 -2.94 0.00 0.00 177.10 173.39 3kov h SER 50 N -1.87 0.00 -0.53 3.54 4.64 -2.01 0.58 113.55 117.90 3kov h SER 50 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3kov h SER 50 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3kov h SER 50 CO 0.57 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.33 3kov n SER 51 N -3.87 4.37 -2.60 4.97 7.64 -1.26 -4.92 113.62 117.94 3kov n SER 51 Ca 0.29 -2.51 -0.21 0.00 1.01 0.00 0.00 58.87 57.46 3kov n SER 51 Cb 1.48 -0.57 0.01 0.00 -1.01 0.00 0.00 64.21 64.12 3kov n SER 51 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kov n ASN 52 N 0.79 -5.84 -4.90 6.43 3.02 0.20 -5.01 115.26 109.95 3kov n ASN 52 Ca 0.22 -0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.29 3kov n ASN 52 Cb 0.86 -4.75 -0.05 0.00 -0.61 0.00 0.00 39.78 35.23 3kov n ASN 52 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3kov s LYS 53 N -5.35 3.47 -0.10 3.52 2.20 -1.25 -4.87 119.74 117.35 3kov s LYS 53 Ca 0.16 -0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 55.41 3kov s LYS 53 Cb -0.07 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 3kov s LYS 53 CO 0.19 0.64 0.13 -1.17 -0.36 0.00 0.00 175.35 174.78 3kov s LEU 54 N -2.09 4.27 -0.02 5.43 2.96 -1.26 -1.65 118.68 126.32 3kov s LEU 54 Ca 0.30 0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 54.60 3kov s LEU 54 Cb -0.13 -2.10 0.02 0.00 0.50 0.00 0.00 46.19 44.47 3kov s LEU 54 CO 0.21 0.39 0.05 -0.36 -1.32 0.00 0.00 176.35 175.31 3kov s PHE 55 N -1.05 -0.03 -0.03 5.38 0.40 -0.11 -5.01 117.98 117.53 3kov s PHE 55 Ca 0.16 0.16 -0.05 0.00 -0.60 0.00 0.00 56.93 56.60 3kov s PHE 55 Cb -0.12 -0.08 0.01 0.00 0.51 0.00 0.00 43.02 43.34 3kov s PHE 55 CO 0.06 -0.06 0.11 1.14 0.70 0.00 0.00 175.22 177.17 3kov s GLN 56 N 0.51 0.26 0.14 0.44 -2.07 -1.26 -0.08 119.66 117.59 3kov s GLN 56 Ca -0.04 -0.06 0.09 0.00 -1.82 0.00 0.00 55.36 53.53 3kov s GLN 56 Cb -0.06 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 31.94 3kov s GLN 56 CO -0.02 -0.05 -0.21 -0.47 -1.32 0.00 0.00 175.29 173.23 3kov s TYR 57 N -0.49 1.88 -0.19 9.60 5.04 -0.12 -5.00 117.35 128.07 3kov s TYR 57 Ca -0.06 -0.43 -0.17 0.00 -2.44 0.00 0.00 57.07 53.98 3kov s TYR 57 Cb -0.04 -0.98 0.05 0.00 0.35 0.00 0.00 41.96 41.34 3kov s TYR 57 CO 0.00 0.29 0.51 0.00 -1.34 0.00 0.00 175.55 175.01 3kov s ALA 58 N -1.55 -1.27 0.38 3.97 0.00 -1.26 -0.61 121.76 121.42 3kov s ALA 58 Ca 0.12 1.51 0.16 0.00 0.00 0.00 0.00 51.96 53.75 3kov s ALA 58 Cb -0.08 -0.89 0.90 0.00 0.00 0.00 0.00 23.12 23.05 3kov s ALA 58 CO 0.06 -0.25 1.89 0.66 0.00 0.00 0.00 175.76 178.12 3kov h SER 59 N 5.67 0.00 0.00 0.00 4.64 -1.29 -3.45 113.55 119.12 3kov h SER 59 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3kov h SER 59 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3kov h SER 59 CO 0.20 0.29 0.00 0.35 -0.87 0.00 0.00 176.83 176.80 3kov n THR 60 N -4.01 0.00 -3.93 2.95 -2.24 -1.26 -4.99 114.28 100.79 3kov n THR 60 Ca -0.02 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 3kov n THR 60 Cb 0.35 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.45 3kov n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kov s ASP 61 N 1.00 4.62 0.19 3.42 -1.08 -1.26 -4.99 116.67 118.57 3kov s ASP 61 Ca 0.00 -2.67 -0.15 0.00 -0.52 0.00 0.00 52.55 49.21 3kov s ASP 61 Cb 0.00 -1.68 0.17 0.00 -1.46 0.00 0.00 42.92 39.95 3kov s ASP 61 CO 0.00 -0.31 1.65 -0.03 0.52 0.00 0.00 175.17 177.00 3kov h MET 62 N 7.00 0.02 -0.13 4.34 1.85 -1.94 0.18 114.93 126.24 3kov h MET 62 Ca -0.06 -0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.95 3kov h MET 62 Cb 0.95 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.96 3kov h MET 62 CO 0.64 0.01 -0.27 -0.44 -0.40 0.00 0.00 176.91 176.45 3kov h ASP 63 N 0.02 0.25 -0.89 1.39 3.32 -1.99 -0.14 116.42 118.38 3kov h ASP 63 Ca 0.25 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.27 3kov h ASP 63 Cb 0.38 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 3kov h ASP 63 CO -0.50 0.53 0.56 0.50 -1.72 0.00 0.00 179.24 178.61 3kov h LYS 64 N 0.22 1.03 -0.10 3.56 3.64 -1.12 -1.00 116.57 122.81 3kov h LYS 64 Ca 0.03 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3kov h LYS 64 Cb 0.61 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3kov h LYS 64 CO 0.04 0.68 -0.07 0.28 -2.27 0.00 0.00 179.45 178.12 3kov h VAL 65 N 1.06 1.33 -0.86 2.00 2.07 -0.14 -2.13 116.25 119.59 3kov h VAL 65 Ca 0.37 -1.14 0.08 0.00 0.82 0.00 0.00 66.70 66.83 3kov h VAL 65 Cb 0.08 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 3kov h VAL 65 CO -0.14 0.32 0.52 -0.07 0.02 0.00 0.00 177.57 178.22 3kov h LEU 66 N -0.15 0.79 0.27 2.57 3.38 -0.87 -0.34 115.31 120.97 3kov h LEU 66 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kov h LEU 66 Cb 0.54 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3kov h LEU 66 CO 0.02 0.49 -0.27 0.25 0.09 0.00 0.00 178.44 179.01 3kov h LEU 67 N 0.92 -0.74 -0.55 1.67 5.85 -1.13 -1.36 115.31 119.98 3kov h LEU 67 Ca 0.39 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.28 3kov h LEU 67 Cb 0.25 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.42 3kov h LEU 67 CO -0.20 -0.40 -0.30 0.11 -0.34 0.00 0.00 178.44 177.32 3kov h LYS 68 N -0.58 -0.15 -0.31 1.25 1.57 -0.83 -2.57 116.57 114.94 3kov h LYS 68 Ca -0.01 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3kov h LYS 68 Cb 0.53 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.81 3kov h LYS 68 CO -0.06 -0.10 -0.50 -0.92 -0.57 0.00 0.00 179.45 177.30 3kov h TYR 69 N -0.15 -1.53 -0.37 -1.35 3.20 -0.66 -1.11 116.97 115.00 3kov h TYR 69 Ca 0.23 0.07 0.11 0.00 3.14 0.00 0.00 58.73 62.28 3kov h TYR 69 Cb 0.53 0.71 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 3kov h TYR 69 CO -0.59 -0.45 0.28 1.79 -1.64 0.00 0.00 178.16 177.55 3kov h THR 70 N -0.40 0.77 0.00 1.81 1.35 -0.89 -0.18 112.91 115.38 3kov h THR 70 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 3kov h THR 70 Cb 0.55 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3kov h THR 70 CO -0.51 0.00 -0.29 -0.33 -0.25 0.00 0.00 175.52 174.14 3kov h GLU 71 N 0.00 0.00 -6.84 4.72 5.08 -0.85 -3.46 114.58 113.23 3kov h GLU 71 Ca 0.18 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.99 3kov h GLU 71 Cb 0.73 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.08 3kov h GLU 71 CO -0.00 0.00 0.79 0.98 -1.00 0.00 0.00 179.01 179.78 3kov n TYR 72 N -2.37 2.82 -0.51 4.33 9.36 -0.08 -4.93 117.16 125.79 3kov n TYR 72 Ca 0.04 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.63 3kov n TYR 72 Cb 0.46 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 3kov n TYR 72 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3kov n ASN 73 N 1.33 0.53 -4.94 2.98 4.05 -1.26 -5.06 115.26 112.89 3kov n ASN 73 Ca 0.05 -1.04 -0.24 0.00 0.45 0.00 0.00 54.58 53.81 3kov n ASN 73 Cb 0.37 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.38 3kov n ASN 73 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3kov s GLU 74 N -0.04 3.41 0.80 1.20 2.02 -1.26 -5.10 118.70 119.73 3kov s GLU 74 Ca 0.00 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.55 3kov s GLU 74 Cb 0.00 -2.62 0.08 0.00 0.10 0.00 0.00 34.13 31.69 3kov s GLU 74 CO 0.00 0.04 1.13 -1.25 0.02 0.00 0.00 175.26 175.20 3kov s PRO 75 N -4.40 1.86 0.06 0.39 0.04 -1.26 -5.04 135.00 126.65 3kov s PRO 75 Ca 0.42 1.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 3kov s PRO 75 Cb -0.10 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.70 3kov s PRO 75 CO 0.37 -1.99 0.93 -3.38 0.04 0.00 0.00 177.00 172.97 3kov s HIS 76 N -2.58 -0.25 -0.05 0.56 -3.43 -1.26 -5.11 115.29 103.18 3kov s HIS 76 Ca 0.66 0.04 -0.33 0.00 -0.80 0.00 0.00 55.06 54.63 3kov s HIS 76 Cb -0.22 0.58 -0.11 0.00 -1.43 0.00 0.00 32.58 31.41 3kov s HIS 76 CO 0.53 -0.66 1.91 -1.91 -2.00 0.00 0.00 174.74 172.61 3kov n GLU 77 N -0.35 2.40 -3.50 -0.38 2.13 -1.26 -4.92 120.64 114.76 3kov n GLU 77 Ca -0.08 0.88 -0.27 0.00 0.66 0.00 0.00 57.16 58.35 3kov n GLU 77 Cb 0.61 -2.76 -0.11 0.00 0.27 0.00 0.00 31.44 29.46 3kov n GLU 77 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3kov s SER 78 N 4.20 2.22 0.55 4.31 0.15 -1.26 -5.12 113.70 118.75 3kov s SER 78 Ca 0.92 -3.16 -0.11 0.00 0.70 0.00 0.00 55.95 54.29 3kov s SER 78 Cb -0.61 -0.68 -0.05 0.00 -1.71 0.00 0.00 66.02 62.96 3kov s SER 78 CO 0.49 -0.16 0.95 -0.13 1.20 0.00 0.00 173.24 175.59 3kov s ARG 79 N -0.17 3.69 0.30 5.44 0.52 -1.26 -5.08 118.95 122.39 3kov s ARG 79 Ca 0.30 0.68 0.03 0.00 -0.52 0.00 0.00 55.73 56.22 3kov s ARG 79 Cb -0.00 -2.17 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 3kov s ARG 79 CO -0.18 -0.39 0.29 -0.08 0.02 0.00 0.00 175.30 174.97 3kov s THR 80 N -2.90 0.00 0.10 0.02 -1.32 -1.26 -5.03 115.64 105.26 3kov s THR 80 Ca 0.54 -1.90 -0.25 0.00 -1.21 0.00 0.00 61.69 58.87 3kov s THR 80 Cb -0.11 -2.52 -0.11 0.00 -1.51 0.00 0.00 72.50 68.26 3kov s THR 80 CO 0.45 0.00 1.69 0.78 -2.21 0.00 0.00 174.62 175.32 3kov h ASN 81 N 2.24 -0.36 -0.35 8.08 2.35 -1.99 -2.40 115.58 123.15 3kov h ASN 81 Ca -0.28 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.57 3kov h ASN 81 Cb 1.24 0.13 -0.08 0.00 0.05 0.00 0.00 38.32 39.66 3kov h ASN 81 CO 0.40 -0.20 -0.49 0.77 -1.65 0.00 0.00 177.43 176.27 3kov h SER 82 N -0.28 -1.60 -1.72 5.81 4.64 -1.99 0.28 113.55 118.69 3kov h SER 82 Ca 0.02 0.22 0.50 0.00 -0.47 0.00 0.00 61.79 62.06 3kov h SER 82 Cb 0.28 0.67 -0.07 0.00 -0.31 0.00 0.00 62.40 62.97 3kov h SER 82 CO -0.06 -0.40 1.25 0.44 -0.87 0.00 0.00 176.83 177.18 3kov h ASP 83 N -0.40 0.00 0.00 4.97 3.45 -1.88 0.29 116.42 122.85 3kov h ASP 83 Ca 0.10 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.45 3kov h ASP 83 Cb 0.61 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.36 3kov h ASP 83 CO -0.55 0.00 -0.72 0.40 -1.57 0.00 0.00 179.24 176.80 3kov h ILE 84 N 0.00 0.73 -0.31 0.35 1.08 -0.10 -2.36 117.51 116.91 3kov h ILE 84 Ca 0.82 -1.78 0.07 0.00 -0.39 0.00 0.00 64.86 63.57 3kov h ILE 84 Cb 3.30 1.62 -0.08 0.00 -3.07 0.00 0.00 36.82 38.59 3kov h ILE 84 CO -0.01 0.25 -0.35 0.58 -0.69 0.00 0.00 178.15 177.93 3kov h VAL 85 N -1.00 0.21 -0.49 1.67 2.07 0.16 0.37 116.25 119.24 3kov h VAL 85 Ca -0.16 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.45 3kov h VAL 85 Cb 0.91 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 3kov h VAL 85 CO -0.10 0.00 -0.27 -0.33 0.02 0.00 0.00 177.57 176.90 3kov h GLU 86 N -0.33 -0.15 -0.69 1.57 5.08 -1.11 0.03 114.58 118.98 3kov h GLU 86 Ca 0.14 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.65 3kov h GLU 86 Cb 0.56 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 3kov h GLU 86 CO -0.49 -0.10 0.47 0.00 -1.00 0.00 0.00 179.01 177.89 3kov h ALA 87 N 1.08 2.19 0.40 3.43 0.00 -0.85 -2.67 119.26 122.84 3kov h ALA 87 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3kov h ALA 87 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kov h ALA 87 CO -0.58 -0.37 -0.19 -0.07 0.00 0.00 0.00 179.25 178.04 3kov h LEU 88 N 0.33 -0.46 -1.94 0.00 3.38 0.86 -3.19 115.31 114.29 3kov h LEU 88 Ca 0.33 -0.06 0.39 0.00 0.09 0.00 0.00 57.88 58.64 3kov h LEU 88 Cb 0.85 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 3kov h LEU 88 CO -0.09 -0.02 0.97 0.78 0.09 0.00 0.00 178.44 180.18 3kov h ASN 89 N -1.08 0.03 0.00 -0.43 2.35 -1.06 0.74 115.58 116.13 3kov h ASN 89 Ca -0.06 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3kov h ASN 89 Cb 0.49 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3kov h ASN 89 CO 0.09 -0.00 0.10 0.11 -1.65 0.00 0.00 177.43 176.08 3kov h LYS 90 N 0.02 0.00 -0.01 0.81 1.57 -1.46 -3.52 116.57 113.99 3kov h LYS 90 Ca 0.66 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 3kov h LYS 90 Cb 2.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.88 3kov h LYS 90 CO -0.04 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.47