#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 0.22 -6.69 1.61 3.08 -2.13 -3.40 114.38 107.07 3kov h ARG 3 Ca 0.00 -0.01 -0.68 0.00 0.07 0.00 0.00 59.98 59.35 3kov h ARG 3 Cb 0.00 -0.05 -0.21 0.00 0.08 0.00 0.00 29.97 29.79 3kov h ARG 3 CO 0.00 0.14 -0.82 0.15 -1.07 0.00 0.00 179.97 178.38 3kov s LYS 4 N -6.06 1.84 0.47 0.04 1.02 -1.26 -5.13 119.74 110.66 3kov s LYS 4 Ca -0.13 -1.12 -0.20 0.00 0.02 0.00 0.00 55.97 54.54 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 0.98 0.21 -0.92 0.00 0.00 175.35 176.88 3kov s LYS 5 N -1.81 4.03 0.05 1.68 2.20 -1.26 -5.08 119.74 119.55 3kov s LYS 5 Ca 0.16 1.15 0.04 0.00 -0.36 0.00 0.00 55.97 56.97 3kov s LYS 5 Cb -0.10 -2.14 -0.02 0.00 -1.51 0.00 0.00 37.83 34.05 3kov s LYS 5 CO 0.07 -0.21 -0.13 0.96 -0.36 0.00 0.00 175.35 175.68 3kov s ILE 6 N -2.23 1.01 -0.08 5.43 -0.00 -1.26 -5.11 121.20 118.96 3kov s ILE 6 Ca 0.63 -1.05 -0.22 0.00 -0.00 0.00 0.00 60.65 60.00 3kov s ILE 6 Cb -0.11 -0.95 -0.04 0.00 -0.00 0.00 0.00 42.46 41.37 3kov s ILE 6 CO 0.19 -0.09 0.66 -1.10 -0.00 0.00 0.00 174.94 174.60 3kov s GLN 7 N -1.30 4.41 -0.15 0.37 -1.52 -1.26 -4.99 119.66 115.22 3kov s GLN 7 Ca -0.01 0.79 -0.29 0.00 -1.95 0.00 0.00 55.36 53.91 3kov s GLN 7 Cb -0.08 -3.46 -0.06 0.00 -0.22 0.00 0.00 33.01 29.19 3kov s GLN 7 CO 0.01 0.06 2.07 0.42 -0.25 0.00 0.00 175.29 177.60 3kov s ILE 8 N 0.86 3.10 -0.20 1.08 -1.09 -1.26 -4.87 121.20 118.82 3kov s ILE 8 Ca 0.35 0.11 -0.31 0.00 -2.23 0.00 0.00 60.65 58.57 3kov s ILE 8 Cb -0.17 -3.11 0.15 0.00 -1.58 0.00 0.00 42.46 37.75 3kov s ILE 8 CO 0.16 -0.05 1.17 0.42 -1.23 0.00 0.00 174.94 175.41 3kov s THR 9 N 6.85 0.00 -0.17 2.92 -4.23 -1.26 -5.11 115.64 114.64 3kov s THR 9 Ca 0.93 0.00 -0.35 0.00 -1.18 0.00 0.00 61.69 61.10 3kov s THR 9 Cb -0.34 -1.00 -0.12 0.00 1.34 0.00 0.00 72.50 72.38 3kov s THR 9 CO 0.36 0.00 1.94 -1.14 -0.54 0.00 0.00 174.62 175.25 3kov n ARG 10 N 0.33 1.84 -1.62 3.99 0.63 -1.26 -4.83 116.66 115.75 3kov n ARG 10 Ca -0.04 0.64 -0.44 0.00 -0.92 0.00 0.00 57.85 57.09 3kov n ARG 10 Cb 0.59 -2.58 -0.04 0.00 0.45 0.00 0.00 32.46 30.88 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 5.62 0.51 0.17 5.15 2.08 -1.26 -4.82 119.36 126.81 3kov n ILE 11 Ca 0.27 -0.28 0.03 0.00 0.56 0.00 0.00 62.75 63.33 3kov n ILE 11 Cb 0.27 -2.28 0.25 0.00 -0.75 0.00 0.00 39.64 37.13 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 12.38 0.00 -6.24 0.38 2.86 -2.01 -3.42 114.93 118.87 3kov h MET 12 Ca -0.44 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 56.67 3kov h MET 12 Cb 1.25 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.86 3kov h MET 12 CO 0.96 0.48 1.20 0.34 1.06 0.00 0.00 176.91 180.94 3kov s ASP 13 N -6.56 5.82 0.50 1.22 2.15 -1.26 -4.86 116.67 113.69 3kov s ASP 13 Ca 0.00 0.28 0.41 0.00 0.43 0.00 0.00 52.55 53.67 3kov s ASP 13 Cb 0.11 -2.54 1.60 0.00 -0.30 0.00 0.00 42.92 41.79 3kov s ASP 13 CO 0.72 -1.95 1.60 -0.33 -0.17 0.00 0.00 175.17 175.03 3kov h GLU 14 N 12.38 0.02 0.00 4.34 4.39 -2.00 -0.91 114.58 132.80 3kov h GLU 14 Ca -0.27 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.37 3kov h GLU 14 Cb 1.12 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 3kov h GLU 14 CO 1.19 0.01 -0.40 0.00 -1.16 0.00 0.00 179.01 178.66 3kov h ARG 15 N 0.02 0.00 -0.25 2.33 3.08 -1.95 -2.60 114.38 115.02 3kov h ARG 15 Ca 0.88 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.95 3kov h ARG 15 Cb 3.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 33.23 3kov h ARG 15 CO -0.22 0.48 0.17 -0.97 -1.07 0.00 0.00 179.97 178.36 3kov h ASN 16 N -1.00 0.20 0.41 7.04 -0.73 -1.78 0.17 115.58 119.89 3kov h ASN 16 Ca -0.08 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.07 3kov h ASN 16 Cb 0.67 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.21 3kov h ASN 16 CO -0.05 0.14 -0.22 -0.09 -0.37 0.00 0.00 177.43 176.84 3kov h ARG 17 N 0.24 -0.57 -0.18 6.67 2.43 -1.31 0.35 114.38 122.00 3kov h ARG 17 Ca 0.10 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3kov h ARG 17 Cb 0.11 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3kov h ARG 17 CO -0.02 -0.38 0.13 0.37 -1.51 0.00 0.00 179.97 178.56 3kov h GLN 18 N -0.59 0.15 0.02 0.20 -0.00 -0.53 0.51 115.11 114.86 3kov h GLN 18 Ca -0.05 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 3kov h GLN 18 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.92 3kov h GLN 18 CO 0.07 0.10 -0.01 0.28 0.00 0.00 0.00 178.83 179.27 3kov h VAL 19 N 0.15 1.46 -0.89 2.39 2.07 -0.39 -3.06 116.25 117.99 3kov h VAL 19 Ca 0.08 -1.94 0.07 0.00 0.82 0.00 0.00 66.70 65.74 3kov h VAL 19 Cb 0.12 2.69 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 3kov h VAL 19 CO -0.01 0.47 0.55 0.74 0.02 0.00 0.00 177.57 179.34 3kov h THR 20 N -0.92 1.01 0.08 2.57 2.02 -0.06 -1.79 112.91 115.82 3kov h THR 20 Ca -0.00 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 66.86 3kov h THR 20 Cb 0.78 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 3kov h THR 20 CO 0.00 0.18 -0.46 0.15 0.37 0.00 0.00 175.52 175.76 3kov h PHE 21 N 0.97 -1.33 -0.70 3.16 3.57 -0.97 -0.34 116.94 121.32 3kov h PHE 21 Ca 0.40 0.04 0.10 0.00 3.53 0.00 0.00 57.97 62.04 3kov h PHE 21 Cb 0.24 0.57 -0.08 0.00 2.79 0.00 0.00 35.95 39.47 3kov h PHE 21 CO -0.03 -0.55 0.32 1.15 -2.23 0.00 0.00 178.31 176.97 3kov h THR 22 N -0.67 0.80 0.44 4.41 2.02 -1.29 0.37 112.91 118.98 3kov h THR 22 Ca 0.02 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3kov h THR 22 Cb 0.71 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3kov h THR 22 CO -0.29 0.10 -0.21 0.11 0.37 0.00 0.00 175.52 175.60 3kov h LYS 23 N 0.53 -0.57 -0.39 6.66 1.57 -0.57 -3.03 116.57 120.77 3kov h LYS 23 Ca 0.35 0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 59.06 3kov h LYS 23 Cb 0.42 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3kov h LYS 23 CO -0.30 -0.27 -0.20 0.00 -0.57 0.00 0.00 179.45 178.11 3kov h ARG 24 N -0.88 0.75 -0.85 3.15 3.08 -0.98 -2.49 114.38 116.17 3kov h ARG 24 Ca -0.06 -0.29 0.19 0.00 0.07 0.00 0.00 59.98 59.89 3kov h ARG 24 Cb 0.57 -0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.46 3kov h ARG 24 CO 0.10 0.89 0.36 -0.22 -1.07 0.00 0.00 179.97 180.03 3kov h LYS 25 N 0.67 0.41 -0.45 0.04 3.64 -0.96 0.46 116.57 120.38 3kov h LYS 25 Ca 0.10 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 3kov h LYS 25 Cb 0.69 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3kov h LYS 25 CO 0.05 0.27 -0.11 0.35 -2.27 0.00 0.00 179.45 177.74 3kov h PHE 26 N 0.42 0.98 -0.41 1.91 3.57 -1.32 -1.20 116.94 120.88 3kov h PHE 26 Ca 0.51 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.81 3kov h PHE 26 Cb 0.90 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 3kov h PHE 26 CO -0.15 0.97 0.25 0.78 -2.23 0.00 0.00 178.31 177.92 3kov h GLY 27 N 0.71 0.58 0.61 2.40 0.00 -0.76 0.21 103.07 106.82 3kov h GLY 27 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.28 3kov h GLY 27 CO 0.05 0.17 -0.18 -2.00 0.00 0.00 0.00 176.54 174.57 3kov h LEU 28 N 0.50 -0.51 -1.30 3.11 5.85 0.05 -0.29 115.31 122.72 3kov h LEU 28 Ca 0.16 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3kov h LEU 28 Cb 0.00 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3kov h LEU 28 CO -0.07 -0.24 0.26 0.24 -0.34 0.00 0.00 178.44 178.28 3kov h MET 29 N -0.31 0.73 -0.18 1.25 2.86 -0.63 -0.79 114.93 117.87 3kov h MET 29 Ca 0.05 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3kov h MET 29 Cb 0.36 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3kov h MET 29 CO -0.14 0.57 0.08 -0.22 1.06 0.00 0.00 176.91 178.25 3kov h LYS 30 N 0.74 0.26 0.20 1.72 3.64 0.35 0.19 116.57 123.66 3kov h LYS 30 Ca 0.18 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3kov h LYS 30 Cb 0.07 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3kov h LYS 30 CO -0.03 0.30 -0.26 0.87 -2.27 0.00 0.00 179.45 178.07 3kov h LYS 31 N 0.15 -0.50 -0.69 1.90 1.79 -0.77 -0.19 116.57 118.26 3kov h LYS 31 Ca 0.06 0.03 0.15 0.00 -2.18 0.00 0.00 60.65 58.71 3kov h LYS 31 Cb 0.13 0.11 -0.11 0.00 -1.58 0.00 0.00 32.23 30.78 3kov h LYS 31 CO -0.01 -0.33 0.08 0.00 -1.08 0.00 0.00 179.45 178.11 3kov h ALA 32 N 0.16 0.78 -0.07 3.86 0.00 -0.87 0.17 119.26 123.30 3kov h ALA 32 Ca 0.01 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3kov h ALA 32 Cb 0.50 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 3kov h ALA 32 CO -0.09 -0.37 -0.33 -0.92 0.00 0.00 0.00 179.25 177.53 3kov h TYR 33 N 0.18 -0.92 -0.55 0.00 3.20 0.09 0.43 116.97 119.40 3kov h TYR 33 Ca 0.37 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.21 3kov h TYR 33 Cb 0.63 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 3kov h TYR 33 CO -0.33 -0.42 0.07 0.93 -1.64 0.00 0.00 178.16 176.78 3kov h GLU 34 N -0.45 0.93 0.29 1.82 5.08 0.94 -2.29 114.58 120.90 3kov h GLU 34 Ca 0.08 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3kov h GLU 34 Cb 0.56 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3kov h GLU 34 CO -0.32 0.90 -0.17 1.25 -1.00 0.00 0.00 179.01 179.68 3kov h LEU 35 N 0.82 -0.41 -0.97 1.33 5.85 -0.57 0.27 115.31 121.63 3kov h LEU 35 Ca 0.17 0.02 0.32 0.00 0.84 0.00 0.00 57.88 59.22 3kov h LEU 35 Cb 0.44 0.12 -0.17 0.00 0.37 0.00 0.00 40.66 41.42 3kov h LEU 35 CO 0.01 -0.27 0.29 -1.28 -0.34 0.00 0.00 178.44 176.85 3kov h SER 36 N -0.43 -0.03 0.00 1.25 0.87 -0.70 -2.05 113.55 112.47 3kov h SER 36 Ca -0.03 0.25 -0.14 0.00 -1.23 0.00 0.00 61.79 60.63 3kov h SER 36 Cb 0.35 0.34 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 3kov h SER 36 CO 0.04 -0.32 -0.84 0.58 -0.53 0.00 0.00 176.83 175.76 3kov h VAL 37 N 0.08 0.94 -0.81 2.23 2.07 -0.78 -2.01 116.25 117.96 3kov h VAL 37 Ca 0.68 -2.00 0.17 0.00 0.82 0.00 0.00 66.70 66.37 3kov h VAL 37 Cb 1.57 2.07 -0.11 0.00 -1.52 0.00 0.00 31.29 33.30 3kov h VAL 37 CO -0.79 0.32 0.32 -0.07 0.02 0.00 0.00 177.57 177.37 3kov h LEU 38 N -1.00 0.26 -2.81 2.57 3.38 -0.38 -3.11 115.31 114.23 3kov h LEU 38 Ca -0.22 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kov h LEU 38 Cb 1.08 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3kov h LEU 38 CO -0.13 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.45 3kov n ASP 40 N 0.56 -4.70 -4.55 0.00 2.03 -1.00 -5.00 116.55 103.89 3kov n ASP 40 Ca 0.12 -0.67 -0.25 0.00 0.52 0.00 0.00 54.79 54.51 3kov n ASP 40 Cb 0.43 -4.52 -0.09 0.00 -0.72 0.00 0.00 41.12 36.21 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 -3.18 4.17 -0.01 0.00 2.02 -1.26 -4.53 118.70 115.91 3kov s GLU 42 Ca 0.27 -0.15 0.05 0.00 0.02 0.00 0.00 54.97 55.16 3kov s GLU 42 Cb -0.07 -3.46 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 3kov s GLU 42 CO 0.16 0.20 -0.16 0.42 0.02 0.00 0.00 175.26 175.90 3kov s ILE 43 N 0.64 1.24 -0.05 -1.63 1.01 -1.26 -4.99 121.20 116.15 3kov s ILE 43 Ca 0.10 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.08 3kov s ILE 43 Cb -0.12 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.33 3kov s ILE 43 CO 0.02 0.33 -0.09 0.00 0.00 0.00 0.00 174.94 175.20 3kov s ALA 44 N -0.39 1.01 -0.08 9.38 0.00 -1.26 -0.74 121.76 129.68 3kov s ALA 44 Ca 0.06 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.76 3kov s ALA 44 Cb -0.06 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3kov s ALA 44 CO -0.00 0.08 -0.13 -1.17 0.00 0.00 0.00 175.76 174.54 3kov s LEU 45 N 0.68 1.63 -0.10 0.00 2.96 0.50 -5.00 118.68 119.36 3kov s LEU 45 Ca -0.12 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3kov s LEU 45 Cb -0.14 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.66 3kov s LEU 45 CO 0.02 0.02 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.29 3kov s ILE 46 N 0.80 1.47 -0.02 6.68 1.01 -1.26 -1.50 121.20 128.39 3kov s ILE 46 Ca -0.12 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 59.94 3kov s ILE 46 Cb -0.15 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 3kov s ILE 46 CO 0.02 0.43 -0.16 -0.63 0.00 0.00 0.00 174.94 174.60 3kov s ILE 47 N 0.89 1.28 -0.15 2.92 1.01 0.94 -5.00 121.20 123.09 3kov s ILE 47 Ca -0.09 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 3kov s ILE 47 Cb -0.15 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.27 3kov s ILE 47 CO 0.00 0.37 -0.09 -0.36 0.00 0.00 0.00 174.94 174.85 3kov s PHE 48 N -0.27 1.89 0.85 3.97 0.40 -1.26 -0.75 117.98 122.82 3kov s PHE 48 Ca 0.04 -1.10 -0.12 0.00 -0.60 0.00 0.00 56.93 55.15 3kov s PHE 48 Cb -0.07 -1.43 0.10 0.00 0.51 0.00 0.00 43.02 42.13 3kov s PHE 48 CO -0.00 -0.62 1.10 0.54 0.70 0.00 0.00 175.22 176.94 3kov s ASN 49 N 1.57 3.94 0.64 1.36 2.20 -0.62 -4.76 114.94 119.27 3kov s ASN 49 Ca 0.03 1.34 0.09 0.00 -0.94 0.00 0.00 52.86 53.38 3kov s ASN 49 Cb -0.14 -2.04 0.31 0.00 -2.00 0.00 0.00 41.25 37.38 3kov s ASN 49 CO -0.09 -2.33 1.11 0.77 -2.94 0.00 0.00 177.10 173.63 3kov h SER 50 N -1.33 0.00 -0.47 3.54 4.64 -2.01 1.11 113.55 119.03 3kov h SER 50 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kov h SER 50 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3kov h SER 50 CO 0.58 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.34 3kov n SER 51 N -2.73 4.17 -2.08 4.97 7.64 -1.26 -4.93 113.62 119.39 3kov n SER 51 Ca 0.07 -2.54 -0.18 0.00 1.01 0.00 0.00 58.87 57.23 3kov n SER 51 Cb 1.14 -0.50 -0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.50 -5.18 -4.91 6.43 3.02 0.38 -5.00 115.26 110.49 3kov n ASN 52 Ca 0.21 -0.05 -0.31 0.00 -0.03 0.00 0.00 54.58 54.41 3kov n ASN 52 Cb 0.81 -4.22 -0.04 0.00 -0.61 0.00 0.00 39.78 35.71 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 -4.97 3.51 -0.11 3.52 2.20 -1.25 -4.86 119.74 117.78 3kov s LYS 53 Ca 0.04 -0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 55.29 3kov s LYS 53 Cb -0.02 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.32 3kov s LYS 53 CO 0.05 0.54 0.07 -1.17 -0.36 0.00 0.00 175.35 174.47 3kov s LEU 54 N -2.64 3.95 -0.02 5.43 2.96 -1.26 -1.59 118.68 125.51 3kov s LEU 54 Ca 0.38 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.56 3kov s LEU 54 Cb -0.12 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.64 3kov s LEU 54 CO 0.27 0.36 0.00 -0.36 -1.32 0.00 0.00 176.35 175.30 3kov s PHE 55 N -0.75 0.17 -0.02 5.38 0.40 0.07 -5.01 117.98 118.22 3kov s PHE 55 Ca 0.12 0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.46 3kov s PHE 55 Cb -0.12 -0.24 0.00 0.00 0.51 0.00 0.00 43.02 43.17 3kov s PHE 55 CO 0.03 -0.07 0.06 1.14 0.70 0.00 0.00 175.22 177.07 3kov s GLN 56 N 0.65 0.11 0.15 0.44 -2.07 -1.26 -0.04 119.66 117.64 3kov s GLN 56 Ca -0.06 0.00 0.10 0.00 -1.82 0.00 0.00 55.36 53.58 3kov s GLN 56 Cb -0.09 0.05 -0.04 0.00 -1.09 0.00 0.00 33.01 31.84 3kov s GLN 56 CO -0.01 -0.02 -0.23 -0.47 -1.32 0.00 0.00 175.29 173.24 3kov s TYR 57 N -0.16 2.06 -0.17 9.60 5.04 -0.56 -5.00 117.35 128.16 3kov s TYR 57 Ca -0.02 -0.40 -0.14 0.00 -2.44 0.00 0.00 57.07 54.07 3kov s TYR 57 Cb -0.02 -1.07 0.05 0.00 0.35 0.00 0.00 41.96 41.27 3kov s TYR 57 CO 0.00 0.35 0.44 0.00 -1.34 0.00 0.00 175.55 175.00 3kov s ALA 58 N -1.48 -1.11 0.43 3.97 0.00 -1.26 -0.37 121.76 121.94 3kov s ALA 58 Ca 0.14 1.36 0.11 0.00 0.00 0.00 0.00 51.96 53.58 3kov s ALA 58 Cb -0.08 -0.80 0.94 0.00 0.00 0.00 0.00 23.12 23.17 3kov s ALA 58 CO 0.07 -0.23 2.01 0.66 0.00 0.00 0.00 175.76 178.26 3kov h SER 59 N 5.95 0.19 0.00 0.00 4.64 -1.32 -3.45 113.55 119.56 3kov h SER 59 Ca -0.30 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3kov h SER 59 Cb 1.18 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kov h SER 59 CO 0.24 0.26 0.00 0.35 -0.87 0.00 0.00 176.83 176.81 3kov n THR 60 N -4.38 0.00 -3.57 2.95 -2.24 -1.26 -5.00 114.28 100.78 3kov n THR 60 Ca -0.01 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 3kov n THR 60 Cb 0.19 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.34 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 5.77 0.20 3.42 2.15 -1.26 -4.98 116.67 122.97 3kov s ASP 61 Ca 0.00 -2.56 -0.15 0.00 0.43 0.00 0.00 52.55 50.27 3kov s ASP 61 Cb 0.00 -1.99 0.20 0.00 -0.30 0.00 0.00 42.92 40.83 3kov s ASP 61 CO 0.00 -0.51 1.63 -0.03 -0.17 0.00 0.00 175.17 176.09 3kov h MET 62 N 7.61 -0.03 -0.43 4.34 1.85 -1.92 -0.11 114.93 126.24 3kov h MET 62 Ca -0.03 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.01 3kov h MET 62 Cb 1.01 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.02 3kov h MET 62 CO 0.76 -0.02 0.05 -0.44 -0.40 0.00 0.00 176.91 176.87 3kov h ASP 63 N -0.03 0.62 -0.90 1.39 3.32 -1.99 -0.29 116.42 118.55 3kov h ASP 63 Ca 0.28 -0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.29 3kov h ASP 63 Cb 0.45 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 3kov h ASP 63 CO -0.61 0.65 0.55 0.50 -1.72 0.00 0.00 179.24 178.62 3kov h LYS 64 N 0.63 0.94 -0.10 3.56 3.64 -1.47 0.04 116.57 123.81 3kov h LYS 64 Ca 0.14 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3kov h LYS 64 Cb 0.32 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3kov h LYS 64 CO 0.01 0.62 -0.19 0.28 -2.27 0.00 0.00 179.45 177.90 3kov h VAL 65 N 0.97 1.39 -0.57 2.00 2.07 -0.41 -1.56 116.25 120.14 3kov h VAL 65 Ca 0.41 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.50 3kov h VAL 65 Cb 0.27 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3kov h VAL 65 CO -0.21 0.42 0.38 -0.07 0.02 0.00 0.00 177.57 178.11 3kov h LEU 66 N -0.14 0.56 0.27 2.57 3.38 -0.68 0.10 115.31 121.37 3kov h LEU 66 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kov h LEU 66 Cb 0.77 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3kov h LEU 66 CO 0.04 0.39 -0.13 0.25 0.09 0.00 0.00 178.44 179.08 3kov h LEU 67 N 0.65 -0.31 -0.70 1.67 5.85 -0.81 -1.68 115.31 119.98 3kov h LEU 67 Ca 0.23 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.92 3kov h LEU 67 Cb 0.10 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 41.08 3kov h LEU 67 CO -0.06 -0.00 -0.26 0.11 -0.34 0.00 0.00 178.44 177.89 3kov h LYS 68 N -0.63 -0.06 -0.01 1.25 1.57 -0.52 -2.30 116.57 115.87 3kov h LYS 68 Ca -0.04 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3kov h LYS 68 Cb 0.45 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 3kov h LYS 68 CO 0.06 -0.04 -0.49 -0.92 -0.57 0.00 0.00 179.45 177.49 3kov h TYR 69 N -0.06 -1.43 -1.02 -1.35 3.20 -0.35 -1.09 116.97 114.88 3kov h TYR 69 Ca 0.31 0.05 0.29 0.00 3.14 0.00 0.00 58.73 62.52 3kov h TYR 69 Cb 0.55 0.62 -0.04 0.00 1.54 0.00 0.00 36.73 39.40 3kov h TYR 69 CO -0.63 -0.52 0.73 1.79 -1.64 0.00 0.00 178.16 177.90 3kov h THR 70 N -0.60 0.49 0.00 1.81 1.35 -0.78 -0.49 112.91 114.69 3kov h THR 70 Ca 0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3kov h THR 70 Cb 0.65 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3kov h THR 70 CO -0.33 0.00 -0.66 -0.62 -0.25 0.00 0.00 175.52 173.66 3kov n GLU 71 N -4.25 0.26 -1.72 4.72 1.02 -0.46 -4.90 120.64 115.31 3kov n GLU 71 Ca 0.22 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 57.00 3kov n GLU 71 Cb 1.08 -1.65 -0.00 0.00 -0.02 0.00 0.00 31.44 30.84 3kov n GLU 71 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3kov n TYR 72 N -2.02 2.48 -0.72 -0.32 9.36 -0.19 -4.93 117.16 120.82 3kov n TYR 72 Ca 0.03 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.77 3kov n TYR 72 Cb 0.43 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 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 0.62 0.34 -4.95 2.98 4.05 -1.26 -5.07 115.26 111.97 3kov n ASN 73 Ca 0.04 -1.06 -0.23 0.00 0.45 0.00 0.00 54.58 53.78 3kov n ASN 73 Cb 0.37 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.37 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 -0.06 3.46 0.84 1.20 2.02 -1.26 -5.10 118.70 119.80 3kov s GLU 74 Ca 0.00 -0.46 -0.11 0.00 0.02 0.00 0.00 54.97 54.42 3kov s GLU 74 Cb 0.00 -2.73 0.10 0.00 0.10 0.00 0.00 34.13 31.60 3kov s GLU 74 CO 0.00 0.22 1.14 -1.25 0.02 0.00 0.00 175.26 175.39 3kov s PRO 75 N -4.22 1.59 0.08 0.39 0.04 -1.26 -5.04 135.00 126.57 3kov s PRO 75 Ca 0.38 1.48 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 3kov s PRO 75 Cb -0.09 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.73 3kov s PRO 75 CO 0.34 -2.19 0.96 -3.38 0.04 0.00 0.00 177.00 172.77 3kov s HIS 76 N -2.60 -0.20 0.07 0.56 -3.43 -1.26 -5.11 115.29 103.32 3kov s HIS 76 Ca 0.66 -0.03 -0.31 0.00 -0.80 0.00 0.00 55.06 54.58 3kov s HIS 76 Cb -0.22 0.60 -0.10 0.00 -1.43 0.00 0.00 32.58 31.42 3kov s HIS 76 CO 0.55 -0.68 1.89 -1.91 -2.00 0.00 0.00 174.74 172.59 3kov n GLU 77 N -0.39 2.73 -3.47 -0.38 2.13 -1.26 -4.93 120.64 115.08 3kov n GLU 77 Ca -0.07 1.00 -0.28 0.00 0.66 0.00 0.00 57.16 58.47 3kov n GLU 77 Cb 0.61 -2.91 -0.11 0.00 0.27 0.00 0.00 31.44 29.31 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 3.48 2.09 0.54 4.31 0.15 -1.26 -5.13 113.70 117.89 3kov s SER 78 Ca 0.86 -2.99 -0.09 0.00 0.70 0.00 0.00 55.95 54.42 3kov s SER 78 Cb -0.50 -0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 3kov s SER 78 CO 0.41 -0.19 0.91 -0.13 1.20 0.00 0.00 173.24 175.44 3kov s ARG 79 N 0.07 3.62 0.29 5.44 0.52 -1.26 -5.08 118.95 122.55 3kov s ARG 79 Ca 0.29 0.52 -0.02 0.00 -0.52 0.00 0.00 55.73 56.00 3kov s ARG 79 Cb -0.02 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 3kov s ARG 79 CO -0.15 -0.36 0.35 -0.08 0.02 0.00 0.00 175.30 175.07 3kov s THR 80 N -2.90 0.00 0.15 0.02 -1.32 -1.26 -5.02 115.64 105.31 3kov s THR 80 Ca 0.52 -1.75 -0.17 0.00 -1.21 0.00 0.00 61.69 59.08 3kov s THR 80 Cb -0.11 -2.50 0.03 0.00 -1.51 0.00 0.00 72.50 68.41 3kov s THR 80 CO 0.47 0.00 1.72 0.78 -2.21 0.00 0.00 174.62 175.38 3kov h ASN 81 N 2.27 -0.03 -0.20 8.08 2.35 -1.99 -2.11 115.58 123.95 3kov h ASN 81 Ca -0.29 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.56 3kov h ASN 81 Cb 1.24 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.66 3kov h ASN 81 CO 0.41 0.02 -0.07 0.77 -1.65 0.00 0.00 177.43 176.91 3kov h SER 82 N 0.16 -0.25 -1.14 5.81 4.64 -1.99 1.00 113.55 121.77 3kov h SER 82 Ca 0.16 0.07 0.33 0.00 -0.47 0.00 0.00 61.79 61.87 3kov h SER 82 Cb 0.19 0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 3kov h SER 82 CO -0.22 -0.09 0.81 0.44 -0.87 0.00 0.00 176.83 176.89 3kov h ASP 83 N -0.03 0.05 0.00 4.97 3.45 -1.80 -0.24 116.42 122.82 3kov h ASP 83 Ca 0.10 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.54 3kov h ASP 83 Cb 0.19 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 3kov h ASP 83 CO -0.23 0.01 -0.30 0.40 -1.57 0.00 0.00 179.24 177.55 3kov h ILE 84 N 0.04 0.62 -0.46 0.35 1.08 -0.31 -2.38 117.51 116.46 3kov h ILE 84 Ca 0.56 -1.54 0.09 0.00 -0.39 0.00 0.00 64.86 63.57 3kov h ILE 84 Cb 2.13 1.25 -0.10 0.00 -3.07 0.00 0.00 36.82 37.03 3kov h ILE 84 CO -0.04 0.21 -0.26 0.58 -0.69 0.00 0.00 178.15 177.95 3kov h VAL 85 N -1.00 0.30 -0.01 1.67 2.07 -0.64 0.76 116.25 119.39 3kov h VAL 85 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3kov h VAL 85 Cb 0.57 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3kov h VAL 85 CO -0.03 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.21 3kov h GLU 86 N -0.16 -0.01 -1.44 1.57 5.08 -1.17 -0.30 114.58 118.14 3kov h GLU 86 Ca 0.21 0.00 0.44 0.00 -1.00 0.00 0.00 59.36 59.02 3kov h GLU 86 Cb 0.49 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 3kov h GLU 86 CO -0.56 -0.01 0.98 0.00 -1.00 0.00 0.00 179.01 178.42 3kov h ALA 87 N -1.25 3.03 0.31 3.43 0.00 -0.77 0.98 119.26 124.99 3kov h ALA 87 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kov h ALA 87 Cb 0.02 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kov h ALA 87 CO -0.02 -1.59 -0.15 -0.07 0.00 0.00 0.00 179.25 177.42 3kov h LEU 88 N 0.08 -0.35 -1.88 0.00 3.38 0.52 -3.14 115.31 113.91 3kov h LEU 88 Ca 0.80 -0.17 0.24 0.00 0.09 0.00 0.00 57.88 58.84 3kov h LEU 88 Cb 2.74 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 43.55 3kov h LEU 88 CO -0.25 0.11 0.71 0.78 0.09 0.00 0.00 178.44 179.88 3kov h ASN 89 N -0.95 0.00 0.00 -0.43 2.35 0.80 0.65 115.58 117.99 3kov h ASN 89 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3kov h ASN 89 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3kov h ASN 89 CO 0.07 0.00 0.01 0.11 -1.65 0.00 0.00 177.43 175.97 3kov h LYS 90 N 0.00 0.00 -0.02 0.81 1.57 -1.37 -3.52 116.57 114.05 3kov h LYS 90 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3kov h LYS 90 Cb 1.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.12 3kov h LYS 90 CO -0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51