#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdb s VAL 2 N 0.00 5.01 -0.79 0.52 1.01 -0.45 -4.11 120.40 121.58 2kdb s VAL 2 Ca 0.00 -1.71 -0.25 0.00 0.00 0.00 0.00 61.98 60.01 2kdb s VAL 2 Cb 0.00 -4.63 -0.01 0.00 0.00 0.00 0.00 36.38 31.74 2kdb s VAL 2 CO 0.00 -1.29 1.70 -0.89 0.00 0.00 0.00 175.10 174.62 2kdb s THR 3 N 1.95 3.55 -0.60 3.92 2.01 -0.15 -1.06 115.64 125.25 2kdb s THR 3 Ca 0.24 -0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.98 2kdb s THR 3 Cb -0.10 -4.34 0.12 0.00 0.01 0.00 0.00 72.50 68.19 2kdb s THR 3 CO -0.06 -1.28 0.65 -0.22 -0.69 0.00 0.00 174.62 173.02 2kdb s LEU 4 N 8.02 5.77 -0.89 4.42 2.96 -0.26 -1.31 118.68 137.38 2kdb s LEU 4 Ca 0.58 -1.68 -0.24 0.00 -0.22 0.00 0.00 54.13 52.57 2kdb s LEU 4 Cb -0.08 -2.27 0.04 0.00 0.50 0.00 0.00 46.19 44.39 2kdb s LEU 4 CO 0.08 -0.98 1.36 -0.63 -1.32 0.00 0.00 176.35 174.86 2kdb s ILE 5 N 2.11 3.87 -0.61 6.68 1.01 0.08 -1.49 121.20 132.86 2kdb s ILE 5 Ca 0.10 -0.30 -0.25 0.00 0.00 0.00 0.00 60.65 60.20 2kdb s ILE 5 Cb -0.24 -4.98 0.04 0.00 0.01 0.00 0.00 42.46 37.28 2kdb s ILE 5 CO 0.03 -1.88 1.05 -0.63 0.00 0.00 0.00 174.94 173.52 2kdb s ILE 6 N 5.19 4.19 0.14 2.92 -1.09 -0.09 -1.02 121.20 131.45 2kdb s ILE 6 Ca 0.40 0.33 0.03 0.00 -2.23 0.00 0.00 60.65 59.18 2kdb s ILE 6 Cb -0.04 -4.66 -0.04 0.00 -1.58 0.00 0.00 42.46 36.14 2kdb s ILE 6 CO 0.01 -1.34 0.21 -0.54 -1.23 0.00 0.00 174.94 172.05 2kdb s LYS 7 N 4.47 3.20 0.38 2.79 1.02 -0.44 -1.83 119.74 129.33 2kdb s LYS 7 Ca 0.32 -0.70 -0.09 0.00 0.02 0.00 0.00 55.97 55.52 2kdb s LYS 7 Cb -0.11 -2.84 -0.06 0.00 -0.52 0.00 0.00 37.83 34.30 2kdb s LYS 7 CO 0.18 0.52 0.72 0.00 -0.92 0.00 0.00 175.35 175.85 2kdb s ALA 8 N -1.71 3.40 0.09 5.17 0.00 -1.25 -1.06 121.76 126.40 2kdb s ALA 8 Ca 0.33 -0.27 -0.15 0.00 0.00 0.00 0.00 51.96 51.87 2kdb s ALA 8 Cb -0.11 -2.62 -0.11 0.00 0.00 0.00 0.00 23.12 20.27 2kdb s ALA 8 CO 0.26 0.05 1.36 -1.00 0.00 0.00 0.00 175.76 176.43 2kdb h PRO 9 N 1.37 0.69 0.00 0.00 0.13 -1.89 -2.83 132.00 129.46 2kdb h PRO 9 Ca -0.47 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.23 2kdb h PRO 9 Cb 1.19 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kdb h PRO 9 CO 0.64 1.05 0.00 -1.71 -0.23 0.00 0.00 178.00 177.75 2kdb n ASN 10 N -4.20 0.62 -0.61 1.44 2.85 -1.26 -4.91 115.26 109.18 2kdb n ASN 10 Ca -0.05 0.56 -0.07 0.00 -0.11 0.00 0.00 54.58 54.91 2kdb n ASN 10 Cb 0.54 -0.73 -0.02 0.00 1.24 0.00 0.00 39.78 40.81 2kdb n ASN 10 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 2kdb n GLN 11 N -2.09 -0.50 -0.03 1.20 -0.06 -1.07 -4.96 117.38 109.88 2kdb n GLN 11 Ca 0.06 0.59 -0.02 0.00 -2.00 0.00 0.00 57.00 55.63 2kdb n GLN 11 Cb 0.40 -4.42 0.24 0.00 -4.06 0.00 0.00 30.24 22.41 2kdb n GLN 11 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2kdb h LYS 12 N 0.00 0.59 -6.21 3.69 3.64 -1.91 -3.43 116.57 112.93 2kdb h LYS 12 Ca -0.15 -0.15 -0.54 0.00 -1.27 0.00 0.00 60.65 58.54 2kdb h LYS 12 Cb 0.69 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 2kdb h LYS 12 CO 0.20 0.64 -0.60 0.71 -2.27 0.00 0.00 179.45 178.14 2kdb s TYR 13 N -4.89 2.89 0.00 1.91 1.51 -1.26 -5.07 117.35 112.44 2kdb s TYR 13 Ca -0.08 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 2kdb s TYR 13 Cb 0.15 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 2kdb s TYR 13 CO 0.78 0.57 0.00 0.43 -1.11 0.00 0.00 175.55 176.22 2kdb n SER 14 N -0.94 0.00 -4.45 2.29 7.64 -1.26 -3.88 113.62 113.02 2kdb n SER 14 Ca -0.07 -0.90 -0.44 0.00 1.01 0.00 0.00 58.87 58.47 2kdb n SER 14 Cb 0.58 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 2kdb n SER 14 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2kdb s ASP 15 N -1.00 6.52 -0.49 6.43 -4.77 -1.26 -4.26 116.67 117.83 2kdb s ASP 15 Ca 0.00 -1.82 -0.28 0.00 -3.30 0.00 0.00 52.55 47.15 2kdb s ASP 15 Cb 0.00 -2.40 0.03 0.00 -1.09 0.00 0.00 42.92 39.46 2kdb s ASP 15 CO 0.00 -1.13 1.12 -1.10 0.70 0.00 0.00 175.17 174.76 2kdb s GLN 16 N 2.92 3.67 -0.83 2.11 1.11 -0.76 -4.83 119.66 123.04 2kdb s GLN 16 Ca 0.29 0.47 -0.25 0.00 0.01 0.00 0.00 55.36 55.88 2kdb s GLN 16 Cb -0.08 -3.93 0.03 0.00 -1.01 0.00 0.00 33.01 28.02 2kdb s GLN 16 CO -0.05 -1.41 1.43 0.95 0.01 0.00 0.00 175.29 176.23 2kdb s THR 17 N 4.45 3.74 -0.58 -0.19 -4.23 -1.26 -0.92 115.64 116.65 2kdb s THR 17 Ca 0.46 -0.05 -0.19 0.00 -1.18 0.00 0.00 61.69 60.72 2kdb s THR 17 Cb -0.07 -4.82 0.09 0.00 1.34 0.00 0.00 72.50 69.04 2kdb s THR 17 CO 0.30 -1.74 0.72 -0.63 -0.54 0.00 0.00 174.62 172.73 2kdb s ILE 18 N 6.07 4.77 -0.04 2.99 -1.09 -0.55 -4.84 121.20 128.50 2kdb s ILE 18 Ca 0.44 -0.77 -0.30 0.00 -2.23 0.00 0.00 60.65 57.80 2kdb s ILE 18 Cb -0.06 -4.46 -0.06 0.00 -1.58 0.00 0.00 42.46 36.30 2kdb s ILE 18 CO 0.06 -1.08 1.66 -0.94 -1.23 0.00 0.00 174.94 173.41 2kdb s SER 19 N 3.37 6.66 0.00 3.58 1.04 -1.26 -1.10 113.70 126.00 2kdb s SER 19 Ca 0.14 2.26 0.00 0.00 0.48 0.00 0.00 55.95 58.83 2kdb s SER 19 Cb -0.22 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2kdb s SER 19 CO 0.08 -0.92 0.00 0.00 0.98 0.00 0.00 173.24 173.38 2kdb s PHE 21 N -4.86 0.88 -1.60 0.00 0.08 -1.26 -1.34 117.98 109.87 2kdb s PHE 21 Ca 0.00 -0.60 0.23 0.00 0.12 0.00 0.00 56.93 56.68 2kdb s PHE 21 Cb 0.00 -0.50 1.25 0.00 -0.57 0.00 0.00 43.02 43.19 2kdb s PHE 21 CO 0.00 -0.05 1.77 1.28 -0.10 0.00 0.00 175.22 178.11 2kdb n LEU 22 N 0.96 0.00 -0.16 -0.37 4.77 -1.26 -3.67 117.00 117.27 2kdb n LEU 22 Ca -0.19 0.20 0.04 0.00 -0.03 0.00 0.00 56.01 56.03 2kdb n LEU 22 Cb 0.56 -0.20 0.33 0.00 -2.33 0.00 0.00 43.42 41.78 2kdb n LEU 22 CO 0.24 -0.05 1.22 0.78 -1.33 0.00 0.00 177.39 178.25 2kdb h ASN 23 N 0.00 0.70 -2.82 -1.43 4.21 -2.00 -3.36 115.58 110.89 2kdb h ASN 23 Ca 0.00 -0.01 -0.44 0.00 1.21 0.00 0.00 56.30 57.06 2kdb h ASN 23 Cb 0.15 -0.16 0.05 0.00 -1.12 0.00 0.00 38.32 37.24 2kdb h ASN 23 CO 0.00 0.48 0.03 0.26 -1.29 0.00 0.00 177.43 176.91 2kdb s TRP 24 N -5.71 2.88 0.69 1.19 0.51 -1.24 -4.95 118.94 112.31 2kdb s TRP 24 Ca -0.10 0.10 0.01 0.00 -2.12 0.00 0.00 56.10 53.99 2kdb s TRP 24 Cb 0.18 -2.85 0.12 0.00 -0.81 0.00 0.00 33.47 30.11 2kdb s TRP 24 CO 0.77 -0.99 0.95 0.95 -0.51 0.00 0.00 176.95 178.12 2kdb s THR 25 N -2.87 2.16 0.46 2.01 -4.23 -1.26 -2.15 115.64 109.76 2kdb s THR 25 Ca 0.58 -0.66 0.12 0.00 -1.18 0.00 0.00 61.69 60.55 2kdb s THR 25 Cb -0.10 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.50 2kdb s THR 25 CO 0.40 0.00 2.10 0.58 -0.54 0.00 0.00 174.62 177.16 2kdb h VAL 26 N -0.40 1.05 0.13 2.29 2.07 -1.78 -2.49 116.25 117.12 2kdb h VAL 26 Ca -0.36 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2kdb h VAL 26 Cb 1.27 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2kdb h VAL 26 CO 0.41 0.05 -0.06 1.23 0.02 0.00 0.00 177.57 179.22 2kdb h GLY 27 N 0.28 -0.18 1.30 2.17 0.00 -1.88 -0.82 103.07 103.95 2kdb h GLY 27 Ca 0.07 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 2kdb h GLY 27 CO -0.02 -0.06 0.17 0.50 0.00 0.00 0.00 176.54 177.13 2kdb h LYS 28 N -0.58 0.88 -0.34 4.80 6.56 -1.92 -1.70 116.57 124.28 2kdb h LYS 28 Ca -0.02 -0.17 -0.04 0.00 -1.06 0.00 0.00 60.65 59.36 2kdb h LYS 28 Cb 0.45 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 2kdb h LYS 28 CO 0.03 0.78 0.05 1.25 -2.06 0.00 0.00 179.45 179.49 2kdb h LEU 29 N 0.86 0.54 -1.45 2.94 7.12 -1.46 -2.10 115.31 121.75 2kdb h LEU 29 Ca 0.19 -0.27 -0.05 0.00 0.13 0.00 0.00 57.88 57.89 2kdb h LEU 29 Cb 0.27 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 2kdb h LEU 29 CO -0.01 0.67 -0.22 0.50 -0.13 0.00 0.00 178.44 179.25 2kdb h LYS 30 N 0.39 0.00 -0.23 1.25 3.64 -0.80 0.58 116.57 121.39 2kdb h LYS 30 Ca 0.10 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 2kdb h LYS 30 Cb 0.36 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2kdb h LYS 30 CO 0.01 0.22 -0.28 1.15 -2.27 0.00 0.00 179.45 178.27 2kdb h THR 31 N 0.00 1.32 -0.91 1.00 2.02 -1.16 -0.36 112.91 114.81 2kdb h THR 31 Ca -0.00 -1.47 0.02 0.00 0.77 0.00 0.00 66.41 65.72 2kdb h THR 31 Cb 0.58 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.66 2kdb h THR 31 CO 0.03 0.46 0.60 -0.74 0.37 0.00 0.00 175.52 176.24 2kdb h HIS 32 N 0.31 1.13 -0.31 3.16 -0.00 -0.62 -1.93 115.15 116.89 2kdb h HIS 32 Ca 0.03 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 2kdb h HIS 32 Cb 0.86 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 2kdb h HIS 32 CO 0.08 0.70 0.10 -0.07 -0.00 0.00 0.00 177.93 178.74 2kdb h LEU 33 N 1.21 0.46 -2.53 0.26 3.38 -0.85 -1.50 115.31 115.74 2kdb h LEU 33 Ca 0.34 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kdb h LEU 33 Cb -0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2kdb h LEU 33 CO -0.08 0.54 0.01 -1.28 0.09 0.00 0.00 178.44 177.72 2kdb h SER 34 N 0.35 0.00 0.06 -0.43 0.87 -0.41 0.13 113.55 114.12 2kdb h SER 34 Ca 0.10 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.37 2kdb h SER 34 Cb 0.25 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2kdb h SER 34 CO -0.00 0.00 -1.58 0.78 -0.53 0.00 0.00 176.83 175.50 2kdb h ASN 35 N 0.00 0.20 1.26 6.23 -0.26 -1.17 -3.40 115.58 118.44 2kdb h ASN 35 Ca 0.00 -0.72 -0.02 0.00 -0.56 0.00 0.00 56.30 55.01 2kdb h ASN 35 Cb 0.02 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.21 2kdb h ASN 35 CO -0.00 1.66 -0.75 -0.37 -1.06 0.00 0.00 177.43 176.91 2kdb h VAL 36 N -0.50 0.08 -3.39 2.81 -1.51 -0.88 -3.47 116.25 109.39 2kdb h VAL 36 Ca -0.38 -1.14 -0.55 0.00 -1.23 0.00 0.00 66.70 63.40 2kdb h VAL 36 Cb 1.64 1.72 -0.04 0.00 -2.13 0.00 0.00 31.29 32.47 2kdb h VAL 36 CO -0.07 0.05 0.13 -0.47 -1.23 0.00 0.00 177.57 175.98 2kdb s TYR 37 N -3.27 3.66 0.39 5.19 5.04 -0.00 -4.98 117.35 123.38 2kdb s TYR 37 Ca 0.01 1.37 0.07 0.00 -2.44 0.00 0.00 57.07 56.08 2kdb s TYR 37 Cb 0.08 -2.81 0.81 0.00 0.35 0.00 0.00 41.96 40.38 2kdb s TYR 37 CO 0.76 0.18 2.02 -1.00 -1.34 0.00 0.00 175.55 176.17 2kdb h PRO 38 N 6.21 0.63 0.00 4.97 0.13 -1.90 -1.80 132.00 140.24 2kdb h PRO 38 Ca -0.43 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2kdb h PRO 38 Cb 1.20 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2kdb h PRO 38 CO 0.73 0.42 -0.21 1.03 -0.23 0.00 0.00 178.00 179.74 2kdb h SER 39 N 0.65 0.00 -5.48 1.44 0.87 -1.96 -3.48 113.55 105.59 2kdb h SER 39 Ca 0.22 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 2kdb h SER 39 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2kdb h SER 39 CO -0.06 0.21 -0.21 0.29 -0.53 0.00 0.00 176.83 176.54 2kdb n LYS 40 N -3.42 -1.57 -1.93 2.24 4.76 -0.68 -4.93 118.16 112.64 2kdb n LYS 40 Ca -0.00 1.57 -0.42 0.00 -2.87 0.00 0.00 58.31 56.59 2kdb n LYS 40 Cb 0.40 -5.42 -0.03 0.00 -1.84 0.00 0.00 35.03 28.14 2kdb n LYS 40 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kdb s PRO 41 N -3.05 4.21 -0.39 1.97 0.04 -1.26 -4.92 135.00 131.60 2kdb s PRO 41 Ca 0.06 2.37 -0.28 0.00 0.04 0.00 0.00 61.00 63.19 2kdb s PRO 41 Cb -0.02 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 2kdb s PRO 41 CO 0.77 -0.60 1.97 -0.51 0.04 0.00 0.00 177.00 178.67 2kdb s LEU 42 N 0.95 3.44 0.60 -3.56 1.43 -1.26 -4.54 118.68 115.74 2kdb s LEU 42 Ca 0.69 1.18 0.29 0.00 -1.03 0.00 0.00 54.13 55.26 2kdb s LEU 42 Cb -0.44 -3.18 1.62 0.00 0.03 0.00 0.00 46.19 44.23 2kdb s LEU 42 CO 0.33 -2.05 2.03 0.74 0.23 0.00 0.00 176.35 177.63 2kdb h THR 43 N 7.00 0.39 0.11 5.49 2.02 -1.88 -0.08 112.91 125.96 2kdb h THR 43 Ca -0.32 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.59 2kdb h THR 43 Cb 1.19 0.76 0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2kdb h THR 43 CO 1.07 0.00 -1.20 0.07 0.37 0.00 0.00 175.52 175.83 2kdb h LYS 44 N 0.00 0.31 0.00 6.66 2.10 -1.99 -3.39 116.57 120.26 2kdb h LYS 44 Ca 0.11 -0.49 -0.26 0.00 -2.00 0.00 0.00 60.65 58.02 2kdb h LYS 44 Cb 0.69 0.17 -0.04 0.00 -0.90 0.00 0.00 32.23 32.16 2kdb h LYS 44 CO -0.00 1.21 -1.44 -0.25 -2.00 0.00 0.00 179.45 176.97 2kdb n ASP 45 N -3.58 1.87 -4.77 7.07 8.00 -0.50 -4.97 116.55 119.68 2kdb n ASP 45 Ca -0.09 0.42 -0.41 0.00 0.71 0.00 0.00 54.79 55.42 2kdb n ASP 45 Cb 1.00 -0.93 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 2kdb n ASP 45 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kdb s GLN 46 N -2.39 4.17 0.23 -1.24 -1.52 -0.16 -5.00 119.66 113.74 2kdb s GLN 46 Ca -0.30 2.49 0.01 0.00 -1.95 0.00 0.00 55.36 55.61 2kdb s GLN 46 Cb 0.07 -3.01 -0.05 0.00 -0.22 0.00 0.00 33.01 29.80 2kdb s GLN 46 CO 0.55 -0.50 0.09 1.03 -0.25 0.00 0.00 175.29 176.21 2kdb s ARG 47 N -1.41 1.29 -0.04 2.91 0.52 -0.57 -4.85 118.95 116.80 2kdb s ARG 47 Ca 0.56 -1.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.12 2kdb s ARG 47 Cb -0.45 -0.11 -0.03 0.00 0.52 0.00 0.00 34.95 34.88 2kdb s ARG 47 CO 0.55 -0.29 -0.12 -0.51 0.02 0.00 0.00 175.30 174.95 2kdb s LEU 48 N -3.24 2.90 -0.17 2.53 1.43 -1.26 -1.08 118.68 119.79 2kdb s LEU 48 Ca 0.35 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 2kdb s LEU 48 Cb 0.07 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.72 2kdb s LEU 48 CO 0.11 0.34 -0.04 -0.69 0.23 0.00 0.00 176.35 176.30 2kdb s VAL 49 N -0.80 1.06 -0.44 -1.59 1.01 -0.27 -0.68 120.40 118.69 2kdb s VAL 49 Ca 0.13 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 2kdb s VAL 49 Cb -0.11 -1.28 0.09 0.00 0.00 0.00 0.00 36.38 35.08 2kdb s VAL 49 CO 0.02 0.07 0.30 -0.47 0.00 0.00 0.00 175.10 175.02 2kdb s TYR 50 N 1.65 3.34 0.00 5.22 5.04 -0.12 -1.01 117.35 131.47 2kdb s TYR 50 Ca 0.00 -1.53 0.00 0.00 -2.44 0.00 0.00 57.07 53.10 2kdb s TYR 50 Cb -0.16 -3.11 0.00 0.00 0.35 0.00 0.00 41.96 39.04 2kdb s TYR 50 CO -0.07 -0.88 0.00 0.45 -1.34 0.00 0.00 175.55 173.71 2kdb n SER 51 N 4.95 -1.77 0.00 4.32 2.88 -1.26 -2.15 113.62 120.59 2kdb n SER 51 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2kdb n SER 51 Cb 0.42 -1.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.05 2kdb n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kdb n GLY 52 N -1.47 1.27 3.85 0.46 0.00 -1.26 -5.14 105.19 102.90 2kdb n GLY 52 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2kdb n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kdb s ARG 53 N 0.00 3.88 0.21 1.61 1.04 -0.92 -5.06 118.95 119.72 2kdb s ARG 53 Ca 0.00 0.35 -0.30 0.00 -1.04 0.00 0.00 55.73 54.75 2kdb s ARG 53 Cb 0.00 -3.08 -0.08 0.00 -2.04 0.00 0.00 34.95 29.75 2kdb s ARG 53 CO 0.00 0.59 1.04 -1.17 -0.04 0.00 0.00 175.30 175.73 2kdb s LEU 54 N -1.58 4.55 -0.53 -1.89 1.98 -1.26 -0.95 118.68 118.99 2kdb s LEU 54 Ca 0.30 2.07 -0.16 0.00 -2.89 0.00 0.00 54.13 53.45 2kdb s LEU 54 Cb -0.15 -3.61 0.11 0.00 0.66 0.00 0.00 46.19 43.20 2kdb s LEU 54 CO 0.17 -0.09 0.52 -0.76 -1.89 0.00 0.00 176.35 174.29 2kdb s LEU 55 N -0.81 5.89 0.33 -0.68 1.43 0.14 -4.92 118.68 120.07 2kdb s LEU 55 Ca 0.46 -1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 51.79 2kdb s LEU 55 Cb -0.29 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 43.61 2kdb s LEU 55 CO 0.35 -0.86 0.79 -2.16 0.23 0.00 0.00 176.35 174.70 2kdb s PRO 56 N 1.83 4.10 0.06 1.29 0.04 -1.26 -4.37 135.00 136.69 2kdb s PRO 56 Ca 0.05 0.81 0.25 0.00 0.04 0.00 0.00 61.00 62.15 2kdb s PRO 56 Cb -0.27 -2.46 1.01 0.00 0.04 0.00 0.00 34.50 32.82 2kdb s PRO 56 CO 0.05 0.16 1.79 -0.40 0.04 0.00 0.00 177.00 178.63 2kdb n ASP 57 N -0.24 0.21 0.24 6.66 5.75 -1.26 -3.41 116.55 124.49 2kdb n ASP 57 Ca 0.03 0.53 0.10 0.00 -0.01 0.00 0.00 54.79 55.44 2kdb n ASP 57 Cb 0.53 -0.58 0.58 0.00 -1.03 0.00 0.00 41.12 40.62 2kdb n ASP 57 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 2kdb h HIS 58 N 0.00 0.00 -2.15 2.11 2.07 -2.00 -3.41 115.15 111.77 2kdb h HIS 58 Ca 0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 2kdb h HIS 58 Cb 0.48 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.37 2kdb h HIS 58 CO 0.00 0.20 -0.63 -0.48 -3.07 0.00 0.00 177.93 173.95 2kdb s LEU 59 N -7.36 3.16 0.65 6.12 0.05 -1.22 -5.09 118.68 114.99 2kdb s LEU 59 Ca -0.02 -0.70 -0.11 0.00 0.05 0.00 0.00 54.13 53.35 2kdb s LEU 59 Cb 0.13 -1.67 -0.02 0.00 -2.05 0.00 0.00 46.19 42.58 2kdb s LEU 59 CO 0.63 -0.05 1.06 -1.10 -0.55 0.00 0.00 176.35 176.34 2kdb s GLN 60 N -3.69 3.30 0.28 1.48 1.11 -1.26 -3.62 119.66 117.26 2kdb s GLN 60 Ca 0.32 0.65 -0.02 0.00 0.01 0.00 0.00 55.36 56.33 2kdb s GLN 60 Cb -0.05 -2.06 0.44 0.00 -1.01 0.00 0.00 33.01 30.33 2kdb s GLN 60 CO 0.20 -0.76 1.91 -0.07 0.01 0.00 0.00 175.29 176.58 2kdb h LEU 61 N -0.46 1.00 -1.36 2.90 3.38 -1.58 -2.53 115.31 116.66 2kdb h LEU 61 Ca -0.44 -0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.79 2kdb h LEU 61 Cb 1.21 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.65 2kdb h LEU 61 CO 0.62 0.66 0.67 0.07 0.09 0.00 0.00 178.44 180.55 2kdb h LYS 62 N 1.15 0.39 -0.69 1.13 5.09 -1.84 0.15 116.57 121.95 2kdb h LYS 62 Ca 0.40 -0.02 0.16 0.00 0.09 0.00 0.00 60.65 61.27 2kdb h LYS 62 Cb 0.10 -0.09 -0.04 0.00 0.10 0.00 0.00 32.23 32.31 2kdb h LYS 62 CO -0.14 0.25 0.47 0.22 -2.09 0.00 0.00 179.45 178.17 2kdb h ASP 63 N 0.40 0.22 0.00 7.07 3.58 -1.83 -0.35 116.42 125.50 2kdb h ASP 63 Ca 0.59 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.96 2kdb h ASP 63 Cb 1.49 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.50 2kdb h ASP 63 CO -0.29 0.11 -1.41 -0.38 -2.88 0.00 0.00 179.24 174.39 2kdb n ILE 64 N -4.43 0.34 -0.66 2.25 -0.00 -0.87 -4.79 119.36 111.21 2kdb n ILE 64 Ca 0.13 -0.24 0.07 0.00 -0.00 0.00 0.00 62.75 62.71 2kdb n ILE 64 Cb 0.60 -0.59 0.21 0.00 -0.00 0.00 0.00 39.64 39.86 2kdb n ILE 64 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2kdb n LEU 65 N -2.13 3.46 0.14 1.39 4.77 -0.01 -4.25 117.00 120.36 2kdb n LEU 65 Ca -0.08 -2.60 0.13 0.00 -0.03 0.00 0.00 56.01 53.42 2kdb n LEU 65 Cb 0.60 -0.41 0.30 0.00 -2.33 0.00 0.00 43.42 41.58 2kdb n LEU 65 CO 0.14 0.69 0.81 -0.09 -1.33 0.00 0.00 177.39 177.61 2kdb h ARG 66 N 1.83 0.00 0.25 3.23 2.43 -1.29 -2.81 114.38 118.02 2kdb h ARG 66 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2kdb h ARG 66 Cb 1.14 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2kdb h ARG 66 CO 0.13 0.00 -0.15 0.87 -1.51 0.00 0.00 179.97 179.31 2kdb h LYS 67 N 0.00 -0.36 0.17 0.20 1.79 -1.83 -3.25 116.57 113.29 2kdb h LYS 67 Ca 0.00 0.02 -0.30 0.00 -2.18 0.00 0.00 60.65 58.20 2kdb h LYS 67 Cb 0.83 0.08 0.02 0.00 -1.58 0.00 0.00 32.23 31.58 2kdb h LYS 67 CO 0.00 -0.24 -1.34 0.37 -1.08 0.00 0.00 179.45 177.16 2kdb h GLN 68 N -0.37 0.36 0.00 3.15 5.75 -1.88 -3.48 115.11 118.64 2kdb h GLN 68 Ca -0.03 -0.62 0.00 0.00 -0.15 0.00 0.00 58.65 57.85 2kdb h GLN 68 Cb 0.30 0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.08 2kdb h GLN 68 CO 0.03 1.29 0.00 -3.47 -2.65 0.00 0.00 178.83 174.04 2kdb n ASP 69 N -3.59 0.00 0.00 -0.69 2.03 -1.06 -4.70 116.55 108.54 2kdb n ASP 69 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2kdb n ASP 69 Cb 1.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.45 2kdb n ASP 69 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2kdb n GLU 70 N 0.00 0.00 -3.74 -0.67 4.07 -1.26 -4.30 120.64 114.75 2kdb n GLU 70 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 2kdb n GLU 70 Cb 0.00 -0.05 -0.06 0.00 -0.06 0.00 0.00 31.44 31.27 2kdb n GLU 70 CO 0.00 0.00 0.00 1.52 -0.06 0.00 0.00 177.13 178.59 2kdb s TYR 71 N 0.00 3.63 -0.17 4.31 -0.85 -1.26 -0.98 117.35 122.03 2kdb s TYR 71 Ca 0.00 0.68 -0.04 0.00 -0.52 0.00 0.00 57.07 57.19 2kdb s TYR 71 Cb 0.00 -2.08 0.08 0.00 0.38 0.00 0.00 41.96 40.35 2kdb s TYR 71 CO 0.00 0.67 0.24 -1.01 -1.52 0.00 0.00 175.55 173.93 2kdb s HIS 72 N -0.93 -0.35 -0.35 -3.49 3.76 -0.43 -4.84 115.29 108.67 2kdb s HIS 72 Ca 0.18 0.52 -0.29 0.00 -0.15 0.00 0.00 55.06 55.31 2kdb s HIS 72 Cb -0.14 -0.23 0.02 0.00 1.11 0.00 0.00 32.58 33.34 2kdb s HIS 72 CO 0.07 -0.51 1.16 0.00 -0.85 0.00 0.00 174.74 174.61 2kdb s MET 73 N 2.37 3.95 -0.08 1.40 0.23 -1.26 -0.74 119.30 125.16 2kdb s MET 73 Ca 0.05 1.02 0.04 0.00 -1.03 0.00 0.00 55.69 55.77 2kdb s MET 73 Cb -0.14 -3.81 0.00 0.00 -1.53 0.00 0.00 34.83 29.35 2kdb s MET 73 CO -0.11 -1.07 -0.20 0.08 -2.03 0.00 0.00 175.02 171.70 2kdb s VAL 74 N 4.04 1.70 -0.42 5.16 1.01 -0.18 -4.45 120.40 127.25 2kdb s VAL 74 Ca 0.49 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 2kdb s VAL 74 Cb -0.12 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.79 2kdb s VAL 74 CO 0.21 0.48 0.64 -1.00 0.00 0.00 0.00 175.10 175.43 2kdb s HIS 75 N 0.36 3.08 0.44 5.22 3.76 -0.18 -1.33 115.29 126.64 2kdb s HIS 75 Ca -0.14 0.04 -0.24 0.00 -0.15 0.00 0.00 55.06 54.57 2kdb s HIS 75 Cb -0.16 -3.30 -0.08 0.00 1.11 0.00 0.00 32.58 30.15 2kdb s HIS 75 CO 0.06 -0.81 1.24 -1.17 -0.85 0.00 0.00 174.74 173.21 2kdb s LEU 76 N 2.79 4.11 0.00 0.89 2.96 -0.22 -1.12 118.68 128.09 2kdb s LEU 76 Ca 0.23 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.64 2kdb s LEU 76 Cb -0.14 -4.07 0.00 0.00 0.50 0.00 0.00 46.19 42.48 2kdb s LEU 76 CO 0.18 -0.91 0.07 0.55 -1.32 0.00 0.00 176.35 174.92