#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6x n SER 26 N 0.00 2.86 -0.03 1.61 7.64 -1.26 -4.88 113.62 119.56 2k6x n SER 26 Ca 0.00 -3.19 -0.13 0.00 1.01 0.00 0.00 58.87 56.56 2k6x n SER 26 Cb 0.00 -0.73 -0.14 0.00 -1.01 0.00 0.00 64.21 62.33 2k6x n SER 26 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2k6x n HIS 27 N 1.81 0.85 -3.30 1.43 -0.00 -1.26 -4.72 115.22 110.04 2k6x n HIS 27 Ca 0.22 0.25 -0.26 0.00 -0.00 0.00 0.00 57.72 57.94 2k6x n HIS 27 Cb 0.37 -1.14 -0.09 0.00 -0.00 0.00 0.00 29.99 29.14 2k6x n HIS 27 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2k6x n MET 28 N -3.15 0.44 0.29 1.57 0.00 -1.26 -4.96 117.12 110.06 2k6x n MET 28 Ca -0.26 -3.20 0.16 0.00 -0.00 0.00 0.00 57.70 54.40 2k6x n MET 28 Cb 1.06 -1.46 0.90 0.00 0.00 0.00 0.00 33.22 33.72 2k6x n MET 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 2k6x h PRO 29 N 4.87 0.00 -0.01 2.12 0.11 -1.98 -2.62 132.00 134.49 2k6x h PRO 29 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2k6x h PRO 29 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 2k6x h PRO 29 CO 0.41 0.04 0.01 -0.56 -0.21 0.00 0.00 178.00 177.69 2k6x h GLN 30 N 0.00 0.00 -0.05 1.05 3.07 -1.99 -1.40 115.11 115.79 2k6x h GLN 30 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 2k6x h GLN 30 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.70 2k6x h GLN 30 CO 0.01 0.00 -0.03 0.82 0.09 0.00 0.00 178.83 179.71 2k6x h ILE 31 N 0.00 1.35 -0.58 1.86 1.08 -1.89 -1.32 117.51 118.01 2k6x h ILE 31 Ca 0.00 -1.10 0.06 0.00 -0.39 0.00 0.00 64.86 63.44 2k6x h ILE 31 Cb 0.02 1.98 -0.06 0.00 -3.07 0.00 0.00 36.82 35.70 2k6x h ILE 31 CO -0.00 0.30 0.28 -0.33 -0.69 0.00 0.00 178.15 177.71 2k6x h GLU 32 N -0.30 0.50 -0.43 2.37 4.39 -1.45 -1.39 114.58 118.27 2k6x h GLU 32 Ca 0.01 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 2k6x h GLU 32 Cb 0.50 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2k6x h GLU 32 CO 0.01 0.33 -0.22 0.07 -1.16 0.00 0.00 179.01 178.04 2k6x h ARG 33 N 0.52 0.86 -0.44 2.33 0.11 -1.40 -3.09 114.38 113.28 2k6x h ARG 33 Ca 0.27 -0.35 -0.11 0.00 0.10 0.00 0.00 59.98 59.88 2k6x h ARG 33 Cb 0.22 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.25 2k6x h ARG 33 CO -0.21 0.99 -0.17 -0.09 0.10 0.00 0.00 179.97 180.59 2k6x h ARG 34 N 0.75 0.84 -0.65 0.08 9.65 -0.51 -2.31 114.38 122.22 2k6x h ARG 34 Ca 0.10 -0.32 0.01 0.00 -1.10 0.00 0.00 59.98 58.67 2k6x h ARG 34 Cb 0.76 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.26 2k6x h ARG 34 CO 0.06 0.95 0.43 0.82 2.80 0.00 0.00 179.97 185.03 2k6x h ILE 35 N 0.74 1.17 -0.37 1.20 2.04 -1.20 0.25 117.51 121.33 2k6x h ILE 35 Ca 0.11 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 2k6x h ILE 35 Cb 0.69 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2k6x h ILE 35 CO 0.05 0.16 -0.14 0.11 0.00 0.00 0.00 178.15 178.34 2k6x h LYS 36 N 0.88 0.66 -0.37 2.37 1.79 -1.43 -2.06 116.57 118.40 2k6x h LYS 36 Ca 0.24 -0.21 -0.13 0.00 -2.18 0.00 0.00 60.65 58.36 2k6x h LYS 36 Cb -0.10 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 2k6x h LYS 36 CO -0.05 0.77 -0.30 0.87 -1.08 0.00 0.00 179.45 179.65 2k6x h LYS 37 N 0.59 0.80 -0.21 3.15 1.57 -0.84 -2.62 116.57 119.02 2k6x h LYS 37 Ca 0.10 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2k6x h LYS 37 Cb 0.58 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2k6x h LYS 37 CO 0.04 1.00 0.12 -0.07 -0.57 0.00 0.00 179.45 179.96 2k6x h LEU 38 N 0.68 0.26 -1.31 2.94 3.38 0.03 0.29 115.31 121.58 2k6x h LEU 38 Ca 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2k6x h LEU 38 Cb 0.84 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2k6x h LEU 38 CO 0.07 0.25 0.11 0.40 0.09 0.00 0.00 178.44 179.37 2k6x h ILE 39 N 0.24 1.17 -0.12 1.22 5.03 -1.41 -0.80 117.51 122.86 2k6x h ILE 39 Ca 0.07 -0.60 -0.02 0.00 -0.12 0.00 0.00 64.86 64.20 2k6x h ILE 39 Cb 0.05 0.75 -0.00 0.00 -3.03 0.00 0.00 36.82 34.58 2k6x h ILE 39 CO -0.01 0.22 0.00 -1.28 -0.68 0.00 0.00 178.15 176.40 2k6x h SER 40 N 0.57 0.20 -0.66 1.72 0.87 -0.93 -2.16 113.55 113.16 2k6x h SER 40 Ca 0.14 -0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2k6x h SER 40 Cb 0.19 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 2k6x h SER 40 CO -0.01 0.46 0.44 -0.07 -0.53 0.00 0.00 176.83 177.12 2k6x h LEU 41 N -0.06 0.74 -0.74 2.23 3.38 0.07 -0.00 115.31 120.92 2k6x h LEU 41 Ca 0.03 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2k6x h LEU 41 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2k6x h LEU 41 CO 0.01 0.54 0.04 1.23 0.09 0.00 0.00 178.44 180.34 2k6x h GLY 42 N 0.88 1.08 1.12 0.83 0.00 -0.98 0.50 103.07 106.50 2k6x h GLY 42 Ca 0.24 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 2k6x h GLY 42 CO -0.06 0.69 0.05 1.70 0.00 0.00 0.00 176.54 178.92 2k6x h LYS 43 N 0.93 1.06 -0.58 4.80 1.63 -0.46 0.24 116.57 124.19 2k6x h LYS 43 Ca 0.18 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 2k6x h LYS 43 Cb 0.48 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 2k6x h LYS 43 CO 0.02 1.01 0.24 0.87 -3.45 0.00 0.00 179.45 178.14 2k6x h LYS 44 N 0.98 0.86 0.00 1.90 6.56 -0.56 -2.87 116.57 123.44 2k6x h LYS 44 Ca 0.19 -0.15 -0.05 0.00 -1.06 0.00 0.00 60.65 59.57 2k6x h LYS 44 Cb 0.50 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 2k6x h LYS 44 CO 0.02 0.73 -0.26 0.87 -2.06 0.00 0.00 179.45 178.76 2k6x h LYS 45 N 0.79 0.00 0.00 3.15 1.79 0.84 -3.47 116.57 119.68 2k6x h LYS 45 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2k6x h LYS 45 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2k6x h LYS 45 CO -0.02 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 179.02 2k6x n GLY 46 N -0.31 0.33 3.25 3.86 0.00 0.76 -5.06 105.19 108.01 2k6x n GLY 46 Ca -0.01 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 2k6x n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6x s TYR 47 N 0.00 1.30 -1.24 1.61 2.02 -0.83 -4.76 117.35 115.46 2k6x s TYR 47 Ca 0.00 -0.69 -0.14 0.00 -0.37 0.00 0.00 57.07 55.87 2k6x s TYR 47 Cb 0.00 -0.66 0.15 0.00 -0.40 0.00 0.00 41.96 41.05 2k6x s TYR 47 CO 0.00 0.11 1.54 0.44 -1.57 0.00 0.00 175.55 176.06 2k6x n ILE 48 N 0.05 4.20 -3.86 2.71 -6.64 -1.26 -3.57 119.36 110.99 2k6x n ILE 48 Ca -0.12 -4.57 -0.09 0.00 -1.77 0.00 0.00 62.75 56.20 2k6x n ILE 48 Cb 0.59 -2.44 -0.07 0.00 -1.44 0.00 0.00 39.64 36.28 2k6x n ILE 48 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 2k6x s THR 49 N 1.94 0.14 0.33 7.28 -1.32 -1.26 0.18 115.64 122.94 2k6x s THR 49 Ca 0.45 -1.18 0.05 0.00 -1.21 0.00 0.00 61.69 59.79 2k6x s THR 49 Cb -0.00 -1.34 0.30 0.00 -1.51 0.00 0.00 72.50 69.94 2k6x s THR 49 CO 0.01 -0.65 1.90 1.88 -2.21 0.00 0.00 174.62 175.56 2k6x h TYR 50 N 2.75 0.92 -0.46 9.09 -1.99 -1.66 0.17 116.97 125.79 2k6x h TYR 50 Ca -0.34 0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.29 2k6x h TYR 50 Cb 1.20 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 2k6x h TYR 50 CO 0.42 0.42 -0.21 0.93 -0.00 0.00 0.00 178.16 179.73 2k6x h GLU 51 N 0.85 0.92 0.00 4.88 5.08 -1.84 -1.36 114.58 123.11 2k6x h GLU 51 Ca 0.40 -0.38 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2k6x h GLU 51 Cb 0.42 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2k6x h GLU 51 CO -0.17 1.03 -0.59 -0.44 -1.00 0.00 0.00 179.01 177.85 2k6x h ASP 52 N 0.80 0.00 -0.07 1.42 5.19 -1.52 -1.25 116.42 120.98 2k6x h ASP 52 Ca 0.11 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.53 2k6x h ASP 52 Cb 0.76 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 2k6x h ASP 52 CO 0.06 0.59 0.01 0.40 -3.12 0.00 0.00 179.24 177.18 2k6x h ILE 53 N 0.00 0.97 -0.37 0.35 1.08 -0.31 0.26 117.51 119.49 2k6x h ILE 53 Ca -0.01 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 2k6x h ILE 53 Cb 1.05 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 2k6x h ILE 53 CO 0.08 0.01 0.13 -0.78 -0.69 0.00 0.00 178.15 176.90 2k6x h ASP 54 N 0.05 0.48 1.48 1.72 1.82 -1.02 -0.75 116.42 120.20 2k6x h ASP 54 Ca 0.03 -0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.60 2k6x h ASP 54 Cb 0.03 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 39.91 2k6x h ASP 54 CO -0.04 0.45 -0.11 0.07 -1.61 0.00 0.00 179.24 178.00 2k6x h LYS 55 N 0.53 0.00 0.00 0.28 2.10 -0.85 -2.54 116.57 116.08 2k6x h LYS 55 Ca 0.13 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 2k6x h LYS 55 Cb 0.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2k6x h LYS 55 CO -0.01 0.11 -0.03 0.00 -2.00 0.00 0.00 179.45 177.51 2k6x h ALA 56 N 1.89 0.99 -2.81 0.07 0.00 0.56 -3.45 119.26 116.52 2k6x h ALA 56 Ca -0.00 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.37 2k6x h ALA 56 Cb 0.87 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.69 2k6x h ALA 56 CO 0.01 0.04 0.51 0.12 0.00 0.00 0.00 179.25 179.94 2k6x s PHE 57 N -3.36 3.42 -0.06 0.00 5.36 -0.96 -2.92 117.98 119.45 2k6x s PHE 57 Ca 0.05 1.63 -0.30 0.00 -0.96 0.00 0.00 56.93 57.35 2k6x s PHE 57 Cb 0.07 -3.37 -0.02 0.00 -0.34 0.00 0.00 43.02 39.35 2k6x s PHE 57 CO 0.63 -0.88 1.00 -1.25 -1.46 0.00 0.00 175.22 173.26 2k6x s PRO 58 N -1.61 4.48 0.00 10.12 0.04 -1.26 -5.02 135.00 141.74 2k6x s PRO 58 Ca 0.47 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2k6x s PRO 58 Cb -0.33 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2k6x s PRO 58 CO 0.43 -0.21 0.00 -0.35 0.04 0.00 0.00 177.00 176.91 2k6x n PRO 59 N 4.56 2.89 -0.65 0.56 -0.04 -1.15 -5.00 135.00 136.18 2k6x n PRO 59 Ca 0.08 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2k6x n PRO 59 Cb 0.50 0.00 0.34 0.00 -0.04 0.00 0.00 33.50 34.29 2k6x n PRO 59 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2k6x n ASP 60 N 0.00 4.66 -4.65 3.54 5.75 -1.26 -4.97 116.55 119.62 2k6x n ASP 60 Ca 0.00 -2.55 -0.45 0.00 -0.01 0.00 0.00 54.79 51.77 2k6x n ASP 60 Cb 0.00 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 39.46 2k6x n ASP 60 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2k6x n PHE 61 N 0.84 2.32 0.14 2.11 3.72 -1.26 -4.83 117.46 120.51 2k6x n PHE 61 Ca 0.24 -0.16 0.03 0.00 -0.05 0.00 0.00 57.45 57.51 2k6x n PHE 61 Cb 0.92 -2.72 0.03 0.00 -0.94 0.00 0.00 39.48 36.77 2k6x n PHE 61 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2k6x h GLU 62 N 10.68 0.00 -1.67 -1.08 5.08 -1.97 -3.46 114.58 122.17 2k6x h GLU 62 Ca -0.47 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 57.98 2k6x h GLU 62 Cb 1.26 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.27 2k6x h GLU 62 CO 0.95 0.47 0.18 0.20 -1.00 0.00 0.00 179.01 179.81 2k6x s GLY 63 N -4.45 -0.33 -0.18 -3.84 0.00 -1.26 -5.14 107.32 92.12 2k6x s GLY 63 Ca 0.04 2.79 -0.10 0.00 0.00 0.00 0.00 44.72 47.45 2k6x s GLY 63 CO 0.74 2.69 0.17 -0.12 0.00 0.00 0.00 173.10 176.58 2k6x s PHE 64 N 1.80 3.46 -0.10 1.90 5.36 -1.26 -5.07 117.98 124.07 2k6x s PHE 64 Ca -0.08 0.43 -0.09 0.00 -0.96 0.00 0.00 56.93 56.23 2k6x s PHE 64 Cb -0.06 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.49 2k6x s PHE 64 CO -0.17 0.36 0.27 0.34 -1.46 0.00 0.00 175.22 174.55 2k6x s ASP 65 N 0.14 -0.28 0.31 6.13 2.15 -1.26 -5.04 116.67 118.82 2k6x s ASP 65 Ca 0.11 0.54 0.02 0.00 0.43 0.00 0.00 52.55 53.65 2k6x s ASP 65 Cb -0.12 0.53 0.52 0.00 -0.30 0.00 0.00 42.92 43.55 2k6x s ASP 65 CO 0.00 -0.10 1.87 0.74 -0.17 0.00 0.00 175.17 177.51 2k6x h THR 66 N 4.88 1.21 -0.26 1.71 2.02 -2.01 -1.47 112.91 118.98 2k6x h THR 66 Ca -0.28 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 2k6x h THR 66 Cb 1.19 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2k6x h THR 66 CO 0.34 0.27 0.06 -1.13 0.37 0.00 0.00 175.52 175.43 2k6x h ASN 67 N 0.67 0.34 -0.98 4.18 -1.24 -2.00 -1.77 115.58 114.78 2k6x h ASN 67 Ca 0.15 -0.04 0.08 0.00 0.71 0.00 0.00 56.30 57.20 2k6x h ASN 67 Cb 0.27 -0.09 -0.07 0.00 0.73 0.00 0.00 38.32 39.17 2k6x h ASN 67 CO -0.00 0.36 0.63 0.25 -1.29 0.00 0.00 177.43 177.38 2k6x h LEU 68 N 0.37 0.97 -0.73 0.34 5.85 -1.68 0.49 115.31 120.92 2k6x h LEU 68 Ca 0.09 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2k6x h LEU 68 Cb 0.16 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2k6x h LEU 68 CO -0.00 0.59 0.25 0.40 -0.34 0.00 0.00 178.44 179.34 2k6x h ILE 69 N 1.08 1.26 -0.51 4.05 1.08 -1.29 0.37 117.51 123.55 2k6x h ILE 69 Ca 0.44 -0.85 -0.11 0.00 -0.39 0.00 0.00 64.86 63.95 2k6x h ILE 69 Cb 0.28 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 2k6x h ILE 69 CO -0.19 0.34 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.18 2k6x h GLU 70 N 1.06 0.96 -0.36 2.37 5.08 -1.18 -2.98 114.58 119.54 2k6x h GLU 70 Ca 0.24 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2k6x h GLU 70 Cb 0.27 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2k6x h GLU 70 CO -0.01 1.03 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.87 2k6x h ARG 71 N 0.82 0.59 -0.00 2.33 9.65 0.71 -1.29 114.38 127.20 2k6x h ARG 71 Ca 0.13 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2k6x h ARG 71 Cb 0.66 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.17 2k6x h ARG 71 CO 0.05 0.66 0.00 0.82 2.80 0.00 0.00 179.97 184.30 2k6x h ILE 72 N 0.55 1.01 -0.08 1.20 2.04 -0.14 0.13 117.51 122.22 2k6x h ILE 72 Ca 0.11 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 2k6x h ILE 72 Cb 0.45 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2k6x h ILE 72 CO 0.02 0.01 -0.33 1.12 0.00 0.00 0.00 178.15 178.97 2k6x h HIS 73 N -0.00 0.18 0.05 1.37 2.07 -1.43 0.24 115.15 117.63 2k6x h HIS 73 Ca 0.00 -0.04 -0.00 0.00 -2.85 0.00 0.00 60.37 57.48 2k6x h HIS 73 Cb 0.01 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 29.94 2k6x h HIS 73 CO -0.08 0.48 -0.02 0.93 -3.07 0.00 0.00 177.93 176.17 2k6x h GLU 74 N 0.14 -0.06 -0.13 5.12 5.08 -0.72 -1.86 114.58 122.15 2k6x h GLU 74 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2k6x h GLU 74 Cb 0.66 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2k6x h GLU 74 CO 0.05 0.01 -0.02 0.93 -1.00 0.00 0.00 179.01 178.97 2k6x h GLU 75 N -0.11 0.19 -0.52 2.33 4.39 -0.40 0.28 114.58 120.74 2k6x h GLU 75 Ca -0.01 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.70 2k6x h GLU 75 Cb 0.10 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 2k6x h GLU 75 CO 0.01 0.23 0.29 1.25 -1.16 0.00 0.00 179.01 179.63 2k6x h LEU 76 N 0.19 0.45 0.00 1.33 5.85 -0.09 0.20 115.31 123.24 2k6x h LEU 76 Ca 0.04 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2k6x h LEU 76 Cb 0.17 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2k6x h LEU 76 CO 0.01 0.32 -0.40 -0.08 -0.34 0.00 0.00 178.44 177.94 2k6x h GLU 77 N 0.58 0.00 -0.09 1.25 4.81 -0.52 -2.46 114.58 118.14 2k6x h GLU 77 Ca 0.22 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.27 2k6x h GLU 77 Cb 0.07 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.46 2k6x h GLU 77 CO -0.12 0.83 -0.64 1.57 -0.73 0.00 0.00 179.01 179.93 2k6x h LYS 78 N -1.00 0.59 0.00 1.92 2.10 -0.56 -3.30 116.57 116.32 2k6x h LYS 78 Ca -0.10 -0.51 -0.04 0.00 -2.00 0.00 0.00 60.65 57.99 2k6x h LYS 78 Cb 0.95 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2k6x h LYS 78 CO -0.06 1.14 -1.55 1.58 -2.00 0.00 0.00 179.45 178.56 2k6x n HIS 79 N -4.12 0.51 -1.01 0.07 -0.00 0.33 -4.98 115.22 106.01 2k6x n HIS 79 Ca -0.09 0.15 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2k6x n HIS 79 Cb 0.67 -0.78 0.00 0.00 -0.12 0.00 0.00 29.99 29.76 2k6x n HIS 79 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k6x n GLY 80 N 1.27 0.69 3.68 1.57 0.00 0.44 -4.97 105.19 107.87 2k6x n GLY 80 Ca -0.04 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2k6x n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k6x s ILE 81 N -2.00 4.10 -0.23 -0.61 2.07 -1.06 -4.95 121.20 118.52 2k6x s ILE 81 Ca 0.00 1.41 -0.29 0.00 -1.41 0.00 0.00 60.65 60.36 2k6x s ILE 81 Cb 0.00 -3.91 0.01 0.00 0.13 0.00 0.00 42.46 38.69 2k6x s ILE 81 CO 0.00 -0.05 1.02 0.20 -1.91 0.00 0.00 174.94 174.20 2k6x s ASN 82 N 1.83 7.08 -0.27 4.50 0.02 -1.26 -4.52 114.94 122.32 2k6x s ASN 82 Ca 0.58 1.35 -0.05 0.00 -1.02 0.00 0.00 52.86 53.72 2k6x s ASN 82 Cb -0.26 -2.53 0.14 0.00 0.02 0.00 0.00 41.25 38.62 2k6x s ASN 82 CO 0.21 -0.65 0.53 -0.51 0.02 0.00 0.00 177.10 176.71 2k6x s ILE 83 N 3.12 -0.85 0.40 0.60 1.10 -1.25 -4.82 121.20 119.49 2k6x s ILE 83 Ca 0.43 0.02 -0.10 0.00 -0.51 0.00 0.00 60.65 60.49 2k6x s ILE 83 Cb -0.15 -0.89 -0.06 0.00 0.15 0.00 0.00 42.46 41.50 2k6x s ILE 83 CO 0.07 -0.01 0.76 0.54 -2.11 0.00 0.00 174.94 174.19 2k6x s VAL 84 N 2.76 4.79 -0.11 4.00 0.11 0.47 -4.91 120.40 127.51 2k6x s VAL 84 Ca 0.07 0.60 0.12 0.00 -2.93 0.00 0.00 61.98 59.84 2k6x s VAL 84 Cb -0.14 -3.73 -0.24 0.00 -1.53 0.00 0.00 36.38 30.75 2k6x s VAL 84 CO -0.18 -0.51 0.39 -1.84 -3.33 0.00 0.00 175.10 169.63 2k6x n GLU 85 N -1.29 0.66 -0.94 1.54 -0.00 -1.26 -1.99 120.64 117.36 2k6x n GLU 85 Ca 0.02 0.19 0.00 0.00 -0.00 0.00 0.00 57.16 57.37 2k6x n GLU 85 Cb 0.54 -1.68 0.00 0.00 -0.00 0.00 0.00 31.44 30.30 2k6x n GLU 85 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2k6x n ASN 86 N -3.00 -3.46 -4.70 -1.84 5.15 -1.26 -4.62 115.26 101.52 2k6x n ASN 86 Ca -0.25 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.31 2k6x n ASN 86 Cb 1.08 -1.82 -0.03 0.00 -0.53 0.00 0.00 39.78 38.49 2k6x n ASN 86 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k6x s GLU 87 N -0.88 4.50 -0.83 1.20 2.02 -1.26 -4.95 118.70 118.50 2k6x s GLU 87 Ca 0.00 1.49 -0.25 0.00 0.02 0.00 0.00 54.97 56.23 2k6x s GLU 87 Cb 0.00 -3.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.76 2k6x s GLU 87 CO 0.00 -0.16 1.70 -2.14 0.02 0.00 0.00 175.26 174.67 2k6x s PRO 88 N 1.28 2.92 0.44 0.39 0.02 -1.26 -4.81 135.00 133.99 2k6x s PRO 88 Ca 0.53 -0.24 0.13 0.00 0.02 0.00 0.00 61.00 61.43 2k6x s PRO 88 Cb -0.22 -4.81 0.99 0.00 0.02 0.00 0.00 34.50 30.48 2k6x s PRO 88 CO 0.26 -2.73 2.01 0.93 -0.33 0.00 0.00 177.00 177.14 2k6x h GLU 89 N 11.67 0.11 -3.86 5.54 4.39 -1.93 -3.32 114.58 127.17 2k6x h GLU 89 Ca -0.03 -0.02 -0.77 0.00 0.34 0.00 0.00 59.36 58.88 2k6x h GLU 89 Cb 1.05 -0.02 -0.21 0.00 -0.10 0.00 0.00 28.75 29.48 2k6x h GLU 89 CO 1.28 0.21 1.26 0.39 -1.16 0.00 0.00 179.01 180.98 2k6x n GLU 90 N -4.37 3.66 0.00 2.33 -0.58 -1.26 -4.91 120.64 115.51 2k6x n GLU 90 Ca -0.02 -4.01 0.00 0.00 -0.42 0.00 0.00 57.16 52.72 2k6x n GLU 90 Cb 0.20 -2.82 0.00 0.00 -0.57 0.00 0.00 31.44 28.25 2k6x n GLU 90 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2k6x n GLU 91 N 3.82 0.00 0.03 3.49 2.13 -1.25 -2.59 120.64 126.27 2k6x n GLU 91 Ca 0.33 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2k6x n GLU 91 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.10 2k6x n GLU 91 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2k6x n GLU 92 N 0.00 0.00 0.00 5.31 1.02 -1.26 -4.81 120.64 120.90 2k6x n GLU 92 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 2k6x n GLU 92 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 2k6x n GLU 92 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 2k6x n ILE 93 N -2.65 0.00 -2.83 -3.67 3.06 -1.26 -4.86 119.36 107.15 2k6x n ILE 93 Ca 0.00 -0.43 -0.10 0.00 -2.50 0.00 0.00 62.75 59.72 2k6x n ILE 93 Cb 0.00 1.39 0.05 0.00 0.54 0.00 0.00 39.64 41.61 2k6x n ILE 93 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2k6x n SER 94 N 0.82 -2.46 0.09 9.51 7.64 -1.07 -4.96 113.62 123.19 2k6x n SER 94 Ca 0.11 -0.33 -0.14 0.00 1.01 0.00 0.00 58.87 59.53 2k6x n SER 94 Cb 0.51 -2.98 -0.14 0.00 -1.01 0.00 0.00 64.21 60.59 2k6x n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k6x h ALA 95 N 0.50 0.15 -0.00 -0.43 0.00 -1.93 -3.51 119.26 114.03 2k6x h ALA 95 Ca -0.32 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.70 2k6x h ALA 95 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k6x h ALA 95 CO 0.28 1.03 0.00 0.41 0.00 0.00 0.00 179.25 180.96