#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 4.20 -0.81 -1.45 1.01 0.03 -4.79 120.40 118.59 2kdb s VAL 2 Ca 0.00 1.62 -0.26 0.00 0.00 0.00 0.00 61.98 63.35 2kdb s VAL 2 Cb 0.00 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.38 2kdb s VAL 2 CO 0.00 0.15 1.30 -0.89 0.00 0.00 0.00 175.10 175.66 2kdb s THR 3 N 0.86 3.83 -0.59 3.92 2.01 -0.70 -1.09 115.64 123.87 2kdb s THR 3 Ca 0.56 0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.39 2kdb s THR 3 Cb -0.27 -4.94 0.08 0.00 0.01 0.00 0.00 72.50 67.38 2kdb s THR 3 CO 0.30 -1.85 0.78 -0.22 -0.69 0.00 0.00 174.62 172.94 2kdb s LEU 4 N 5.38 4.98 -0.82 4.42 2.96 0.14 -2.44 118.68 133.30 2kdb s LEU 4 Ca 0.37 -1.17 -0.23 0.00 -0.22 0.00 0.00 54.13 52.88 2kdb s LEU 4 Cb -0.07 -2.39 0.07 0.00 0.50 0.00 0.00 46.19 44.31 2kdb s LEU 4 CO 0.08 -1.18 1.17 -0.63 -1.32 0.00 0.00 176.35 174.47 2kdb s ILE 5 N 3.13 4.22 -0.61 6.68 1.01 -0.61 -1.37 121.20 133.64 2kdb s ILE 5 Ca 0.16 -0.61 -0.27 0.00 0.00 0.00 0.00 60.65 59.94 2kdb s ILE 5 Cb -0.21 -4.83 0.04 0.00 0.01 0.00 0.00 42.46 37.46 2kdb s ILE 5 CO 0.09 -1.65 1.13 -0.63 0.00 0.00 0.00 174.94 173.88 2kdb s ILE 6 N 4.23 4.07 -0.21 2.92 -1.09 -0.10 -1.35 121.20 129.66 2kdb s ILE 6 Ca 0.32 0.56 -0.09 0.00 -2.23 0.00 0.00 60.65 59.21 2kdb s ILE 6 Cb -0.09 -4.72 -0.05 0.00 -1.58 0.00 0.00 42.46 36.03 2kdb s ILE 6 CO 0.02 -1.40 0.12 -0.54 -1.23 0.00 0.00 174.94 171.91 2kdb s LYS 7 N 4.81 4.07 0.55 2.79 1.02 -0.24 -1.00 119.74 131.75 2kdb s LYS 7 Ca 0.37 -0.28 -0.19 0.00 0.02 0.00 0.00 55.97 55.89 2kdb s LYS 7 Cb -0.09 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 2kdb s LYS 7 CO 0.21 0.19 1.10 0.00 -0.92 0.00 0.00 175.35 175.92 2kdb s ALA 8 N 0.67 2.71 0.34 5.17 0.00 -1.22 -0.69 121.76 128.73 2kdb s ALA 8 Ca 0.07 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.76 2kdb s ALA 8 Cb -0.12 -3.32 0.59 0.00 0.00 0.00 0.00 23.12 20.27 2kdb s ALA 8 CO 0.01 -0.74 1.91 -1.00 0.00 0.00 0.00 175.76 175.94 2kdb h PRO 9 N 1.06 0.65 -0.25 0.00 0.13 -1.86 -1.76 132.00 129.97 2kdb h PRO 9 Ca -0.49 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2kdb h PRO 9 Cb 1.25 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kdb h PRO 9 CO 0.57 0.57 0.00 -1.71 -0.23 0.00 0.00 178.00 177.20 2kdb n ASN 10 N -4.33 3.43 -2.36 1.44 4.05 -1.26 -4.94 115.26 111.29 2kdb n ASN 10 Ca 0.03 -2.72 -0.21 0.00 0.45 0.00 0.00 54.58 52.14 2kdb n ASN 10 Cb 0.18 -0.43 -0.01 0.00 1.23 0.00 0.00 39.78 40.75 2kdb n ASN 10 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 2kdb n GLN 11 N -0.32 -1.69 -0.10 1.20 -0.06 -0.66 -4.91 117.38 110.85 2kdb n GLN 11 Ca 0.17 1.02 -0.06 0.00 -2.00 0.00 0.00 57.00 56.13 2kdb n GLN 11 Cb 0.73 -5.67 0.00 0.00 -4.06 0.00 0.00 30.24 21.24 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 0.02 -5.75 3.69 3.64 -1.92 -3.36 116.57 112.88 2kdb h LYS 12 Ca -0.49 -0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.22 2kdb h LYS 12 Cb 1.36 -0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.06 2kdb h LYS 12 CO 0.58 0.01 -0.56 0.71 -2.27 0.00 0.00 179.45 177.92 2kdb s TYR 13 N -6.21 3.33 0.77 1.91 1.51 -1.26 -5.08 117.35 112.32 2kdb s TYR 13 Ca -0.14 0.29 -0.13 0.00 -1.01 0.00 0.00 57.07 56.09 2kdb s TYR 13 Cb 0.13 -1.88 0.06 0.00 -0.11 0.00 0.00 41.96 40.16 2kdb s TYR 13 CO 0.70 0.52 1.16 0.45 -1.11 0.00 0.00 175.55 177.27 2kdb s SER 14 N -0.75 4.10 -0.52 2.29 0.15 -1.26 -3.39 113.70 114.32 2kdb s SER 14 Ca 0.12 2.18 -0.26 0.00 0.70 0.00 0.00 55.95 58.68 2kdb s SER 14 Cb -0.12 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.55 2kdb s SER 14 CO 0.03 -2.32 2.43 -0.90 1.20 0.00 0.00 173.24 173.68 2kdb n ASP 15 N -3.15 2.21 -4.61 5.45 5.75 -1.26 -4.72 116.55 116.23 2kdb n ASP 15 Ca 0.12 -0.46 -0.43 0.00 -0.01 0.00 0.00 54.79 54.01 2kdb n ASP 15 Cb 0.51 -1.55 -0.03 0.00 -1.03 0.00 0.00 41.12 39.03 2kdb n ASP 15 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kdb s GLN 16 N 8.30 3.83 -0.82 0.11 -0.21 -0.17 -4.79 119.66 125.91 2kdb s GLN 16 Ca 1.00 0.67 -0.25 0.00 0.02 0.00 0.00 55.36 56.80 2kdb s GLN 16 Cb -0.24 -3.84 0.02 0.00 1.00 0.00 0.00 33.01 29.95 2kdb s GLN 16 CO 0.28 -1.12 1.53 0.95 -2.12 0.00 0.00 175.29 174.80 2kdb s THR 17 N 3.92 3.67 -0.07 -0.19 -4.23 -1.26 -0.92 115.64 116.56 2kdb s THR 17 Ca 0.44 -0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.76 2kdb s THR 17 Cb -0.10 -4.65 -0.05 0.00 1.34 0.00 0.00 72.50 69.04 2kdb s THR 17 CO 0.23 -1.58 0.28 -0.63 -0.54 0.00 0.00 174.62 172.39 2kdb s ILE 18 N 6.74 5.26 -0.07 2.99 -1.09 -0.47 -4.89 121.20 129.68 2kdb s ILE 18 Ca 0.49 0.54 -0.30 0.00 -2.23 0.00 0.00 60.65 59.15 2kdb s ILE 18 Cb -0.06 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 2kdb s ILE 18 CO 0.07 0.57 1.15 -0.94 -1.23 0.00 0.00 174.94 174.56 2kdb s SER 19 N -0.84 7.10 0.09 3.58 1.04 -1.26 -0.68 113.70 122.73 2kdb s SER 19 Ca 0.19 1.75 0.02 0.00 0.48 0.00 0.00 55.95 58.39 2kdb s SER 19 Cb -0.14 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.38 2kdb s SER 19 CO 0.08 -0.55 -0.07 0.00 0.98 0.00 0.00 173.24 173.68 2kdb s PHE 21 N -3.19 2.60 -0.19 0.00 0.40 -1.26 -0.79 117.98 115.55 2kdb s PHE 21 Ca 0.08 -0.45 0.28 0.00 -0.60 0.00 0.00 56.93 56.25 2kdb s PHE 21 Cb 0.02 -1.64 1.22 0.00 0.51 0.00 0.00 43.02 43.13 2kdb s PHE 21 CO -0.03 -0.03 1.84 -0.07 0.70 0.00 0.00 175.22 177.63 2kdb h LEU 22 N 5.82 0.00 -0.78 -0.37 3.38 -1.97 -3.03 115.31 118.36 2kdb h LEU 22 Ca -0.38 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.70 2kdb h LEU 22 Cb 1.17 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 2kdb h LEU 22 CO 0.50 0.00 0.41 -1.13 0.09 0.00 0.00 178.44 178.31 2kdb h ASN 23 N 0.00 0.54 -3.50 -0.43 -1.24 -1.98 -3.27 115.58 105.69 2kdb h ASN 23 Ca 0.00 0.07 -0.45 0.00 0.71 0.00 0.00 56.30 56.62 2kdb h ASN 23 Cb 0.36 -0.03 0.07 0.00 0.73 0.00 0.00 38.32 39.46 2kdb h ASN 23 CO 0.00 0.28 0.18 0.26 -1.29 0.00 0.00 177.43 176.86 2kdb s TRP 24 N -6.03 2.87 0.73 0.67 0.51 -1.15 -4.88 118.94 111.67 2kdb s TRP 24 Ca -0.12 0.34 -0.04 0.00 -2.12 0.00 0.00 56.10 54.15 2kdb s TRP 24 Cb 0.19 -3.12 0.11 0.00 -0.81 0.00 0.00 33.47 29.85 2kdb s TRP 24 CO 0.77 -1.32 1.02 0.95 -0.51 0.00 0.00 176.95 177.86 2kdb s THR 25 N -3.16 2.22 0.35 2.01 -4.23 -1.26 -1.90 115.64 109.67 2kdb s THR 25 Ca 0.60 -0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.72 2kdb s THR 25 Cb -0.11 -2.80 0.28 0.00 1.34 0.00 0.00 72.50 71.21 2kdb s THR 25 CO 0.44 0.00 1.98 0.58 -0.54 0.00 0.00 174.62 177.07 2kdb h VAL 26 N -0.65 1.09 0.01 2.29 2.07 -1.75 -1.71 116.25 117.60 2kdb h VAL 26 Ca -0.40 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 66.70 2kdb h VAL 26 Cb 1.28 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2kdb h VAL 26 CO 0.47 0.15 -0.48 1.23 0.02 0.00 0.00 177.57 178.96 2kdb h GLY 27 N 0.85 0.35 0.68 2.17 0.00 -1.87 -1.39 103.07 103.86 2kdb h GLY 27 Ca 0.29 -0.63 0.04 0.00 0.00 0.00 0.00 47.33 47.04 2kdb h GLY 27 CO -0.08 0.55 0.12 0.50 0.00 0.00 0.00 176.54 177.63 2kdb h LYS 28 N -0.28 0.26 -0.15 4.80 1.57 -1.86 -2.37 116.57 118.55 2kdb h LYS 28 Ca -0.06 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 2kdb h LYS 28 Cb 1.22 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2kdb h LYS 28 CO 0.09 0.17 -0.33 1.25 -0.57 0.00 0.00 179.45 180.07 2kdb h LEU 29 N 0.27 0.31 -1.12 2.94 7.12 -1.40 -2.66 115.31 120.76 2kdb h LEU 29 Ca 0.16 -0.11 0.01 0.00 0.13 0.00 0.00 57.88 58.07 2kdb h LEU 29 Cb 0.14 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.14 2kdb h LEU 29 CO -0.17 0.63 0.60 0.50 -0.13 0.00 0.00 178.44 179.86 2kdb h LYS 30 N 0.26 1.18 -0.39 1.25 3.64 -0.77 0.43 116.57 122.18 2kdb h LYS 30 Ca 0.03 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 2kdb h LYS 30 Cb 0.72 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2kdb h LYS 30 CO 0.05 0.78 -0.38 1.15 -2.27 0.00 0.00 179.45 178.79 2kdb h THR 31 N 1.22 1.27 -0.41 1.00 2.02 -1.29 -1.10 112.91 115.61 2kdb h THR 31 Ca 0.33 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 2kdb h THR 31 Cb -0.14 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2kdb h THR 31 CO -0.07 0.52 0.21 -0.74 0.37 0.00 0.00 175.52 175.81 2kdb h HIS 32 N 0.76 0.55 0.00 3.16 -0.00 -1.02 -1.87 115.15 116.73 2kdb h HIS 32 Ca 0.06 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2kdb h HIS 32 Cb 0.97 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 2kdb h HIS 32 CO 0.06 0.40 -0.00 -0.07 -0.00 0.00 0.00 177.93 178.32 2kdb h LEU 33 N 0.57 -0.00 -2.38 0.26 3.38 0.04 -2.39 115.31 114.78 2kdb h LEU 33 Ca 0.15 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2kdb h LEU 33 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kdb h LEU 33 CO -0.02 0.38 0.04 -1.28 0.09 0.00 0.00 178.44 177.65 2kdb h SER 34 N -0.39 0.00 0.05 -0.43 0.87 -0.85 0.23 113.55 113.03 2kdb h SER 34 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kdb h SER 34 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2kdb h SER 34 CO 0.00 0.00 -0.02 0.78 -0.53 0.00 0.00 176.83 177.06 2kdb h ASN 35 N 0.00 -0.05 1.52 6.23 2.35 -1.28 -3.38 115.58 120.96 2kdb h ASN 35 Ca 0.02 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2kdb h ASN 35 Cb 0.09 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2kdb h ASN 35 CO -0.00 0.67 0.00 -0.37 -1.65 0.00 0.00 177.43 176.08 2kdb h VAL 36 N -0.94 0.00 -3.40 2.81 -1.51 -0.87 -3.46 116.25 108.89 2kdb h VAL 36 Ca -0.01 -0.72 -0.52 0.00 -1.23 0.00 0.00 66.70 64.22 2kdb h VAL 36 Cb 0.59 1.70 0.02 0.00 -2.13 0.00 0.00 31.29 31.47 2kdb h VAL 36 CO 0.01 0.00 0.59 -0.47 -1.23 0.00 0.00 177.57 176.47 2kdb s TYR 37 N -3.35 3.38 0.30 5.19 6.14 0.75 -4.94 117.35 124.82 2kdb s TYR 37 Ca 0.05 1.33 0.01 0.00 0.64 0.00 0.00 57.07 59.11 2kdb s TYR 37 Cb 0.08 -3.49 0.54 0.00 0.42 0.00 0.00 41.96 39.51 2kdb s TYR 37 CO 0.60 -1.44 1.91 -1.00 0.64 0.00 0.00 175.55 176.26 2kdb h PRO 38 N 5.55 0.98 0.03 4.97 0.13 -1.90 -2.11 132.00 139.66 2kdb h PRO 38 Ca -0.44 -0.06 -0.22 0.00 -0.87 0.00 0.00 66.00 64.41 2kdb h PRO 38 Cb 1.21 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 2kdb h PRO 38 CO 0.77 0.65 -1.00 1.03 -0.23 0.00 0.00 178.00 179.22 2kdb h SER 39 N 1.01 0.13 -5.56 1.44 0.87 -1.94 -3.49 113.55 106.02 2kdb h SER 39 Ca 0.39 -0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.73 2kdb h SER 39 Cb 0.21 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2kdb h SER 39 CO -0.15 1.05 -0.57 0.29 -0.53 0.00 0.00 176.83 176.93 2kdb n LYS 40 N -3.48 -2.13 -2.68 2.24 5.02 -0.79 -5.04 118.16 111.31 2kdb n LYS 40 Ca -0.02 1.87 -0.25 0.00 -2.02 0.00 0.00 58.31 57.89 2kdb n LYS 40 Cb 0.91 -4.98 0.02 0.00 -0.02 0.00 0.00 35.03 30.96 2kdb n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kdb s PRO 41 N -2.73 3.04 -0.12 1.97 0.04 -1.26 -5.05 135.00 130.89 2kdb s PRO 41 Ca 0.23 -0.20 -0.29 0.00 0.04 0.00 0.00 61.00 60.77 2kdb s PRO 41 Cb -0.05 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 2kdb s PRO 41 CO 0.79 -0.47 1.09 -0.51 0.04 0.00 0.00 177.00 177.94 2kdb s LEU 42 N -4.77 4.22 0.59 -3.56 1.43 -1.26 -4.74 118.68 110.59 2kdb s LEU 42 Ca 0.51 1.59 0.37 0.00 -1.03 0.00 0.00 54.13 55.57 2kdb s LEU 42 Cb -0.10 -3.55 1.75 0.00 0.03 0.00 0.00 46.19 44.31 2kdb s LEU 42 CO 0.42 -0.56 2.13 0.71 0.23 0.00 0.00 176.35 179.27 2kdb h THR 43 N 5.19 0.05 0.00 5.49 1.35 -1.91 -1.31 112.91 121.77 2kdb h THR 43 Ca -0.29 -0.35 -0.06 0.00 -0.55 0.00 0.00 66.41 65.16 2kdb h THR 43 Cb 1.13 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 2kdb h THR 43 CO 0.90 0.01 -0.31 0.07 -0.25 0.00 0.00 175.52 175.94 2kdb h LYS 44 N 0.00 0.00 0.00 4.72 2.10 -2.00 -3.35 116.57 118.04 2kdb h LYS 44 Ca -0.00 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.26 2kdb h LYS 44 Cb 0.33 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.59 2kdb h LYS 44 CO 0.00 0.31 -2.35 -0.25 -2.00 0.00 0.00 179.45 175.16 2kdb n ASP 45 N -3.59 1.91 -4.57 7.07 8.00 -0.78 -4.87 116.55 119.71 2kdb n ASP 45 Ca -0.01 0.14 -0.39 0.00 0.71 0.00 0.00 54.79 55.25 2kdb n ASP 45 Cb 0.44 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.93 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 -2.45 3.55 0.42 -1.24 -1.52 -0.56 -4.71 119.66 113.15 2kdb s GLN 46 Ca -0.33 -1.46 -0.00 0.00 -1.95 0.00 0.00 55.36 51.61 2kdb s GLN 46 Cb 0.11 -5.40 -0.02 0.00 -0.22 0.00 0.00 33.01 27.48 2kdb s GLN 46 CO 0.47 -2.55 0.65 0.50 -0.25 0.00 0.00 175.29 174.10 2kdb s ARG 47 N 4.99 3.25 -0.15 2.91 6.06 -1.26 -4.78 118.95 129.97 2kdb s ARG 47 Ca 0.55 -0.35 -0.06 0.00 -2.50 0.00 0.00 55.73 53.36 2kdb s ARG 47 Cb 0.01 -2.57 -0.04 0.00 0.06 0.00 0.00 34.95 32.42 2kdb s ARG 47 CO 0.02 -0.13 0.05 -0.51 -2.50 0.00 0.00 175.30 172.23 2kdb s LEU 48 N -4.50 3.78 -0.23 -0.88 1.02 -1.26 -1.23 118.68 115.38 2kdb s LEU 48 Ca 0.45 0.12 -0.02 0.00 0.02 0.00 0.00 54.13 54.70 2kdb s LEU 48 Cb -0.10 -1.93 0.07 0.00 0.02 0.00 0.00 46.19 44.26 2kdb s LEU 48 CO 0.38 0.24 0.06 -0.69 0.02 0.00 0.00 176.35 176.36 2kdb s VAL 49 N -0.05 0.57 -0.74 -1.59 1.01 0.03 -1.23 120.40 118.39 2kdb s VAL 49 Ca 0.06 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 2kdb s VAL 49 Cb -0.12 -1.19 0.08 0.00 0.00 0.00 0.00 36.38 35.15 2kdb s VAL 49 CO 0.01 -0.37 1.06 -0.47 0.00 0.00 0.00 175.10 175.33 2kdb s TYR 50 N 1.82 2.72 -2.15 5.22 6.14 0.46 -1.06 117.35 130.49 2kdb s TYR 50 Ca 0.02 -0.69 0.00 0.00 0.64 0.00 0.00 57.07 57.04 2kdb s TYR 50 Cb -0.17 -4.35 0.00 0.00 0.42 0.00 0.00 41.96 37.86 2kdb s TYR 50 CO -0.15 -1.68 0.00 0.43 0.64 0.00 0.00 175.55 174.80 2kdb n SER 51 N 7.70 -5.43 0.00 4.32 7.64 -1.26 -1.89 113.62 124.70 2kdb n SER 51 Ca 0.05 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2kdb n SER 51 Cb 0.47 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.89 2kdb n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kdb n GLY 52 N -0.42 1.32 3.88 0.23 0.00 -1.26 -5.13 105.19 103.81 2kdb n GLY 52 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 3.73 0.14 1.61 1.70 -0.79 -5.08 118.95 120.27 2kdb s ARG 53 Ca 0.00 0.12 -0.26 0.00 -0.47 0.00 0.00 55.73 55.12 2kdb s ARG 53 Cb 0.00 -2.88 -0.07 0.00 -0.57 0.00 0.00 34.95 31.43 2kdb s ARG 53 CO 0.00 0.48 0.82 -1.17 -1.08 0.00 0.00 175.30 174.35 2kdb s LEU 54 N -2.32 4.56 -0.48 -1.89 1.98 -1.26 -0.40 118.68 118.86 2kdb s LEU 54 Ca 0.38 1.66 -0.12 0.00 -2.89 0.00 0.00 54.13 53.17 2kdb s LEU 54 Cb -0.13 -3.36 0.11 0.00 0.66 0.00 0.00 46.19 43.47 2kdb s LEU 54 CO 0.21 0.13 0.38 -0.76 -1.89 0.00 0.00 176.35 174.42 2kdb s LEU 55 N -0.78 5.75 0.51 -0.68 1.43 -0.36 -4.87 118.68 119.67 2kdb s LEU 55 Ca 0.38 -1.77 -0.19 0.00 -1.03 0.00 0.00 54.13 51.53 2kdb s LEU 55 Cb -0.23 -2.08 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 2kdb s LEU 55 CO 0.27 -0.71 1.02 -2.16 0.23 0.00 0.00 176.35 175.00 2kdb s PRO 56 N 1.46 3.75 0.00 1.29 0.04 -1.26 -4.53 135.00 135.75 2kdb s PRO 56 Ca 0.04 1.23 0.27 0.00 0.04 0.00 0.00 61.00 62.59 2kdb s PRO 56 Cb -0.27 -2.10 1.00 0.00 0.04 0.00 0.00 34.50 33.18 2kdb s PRO 56 CO 0.01 -0.45 1.72 -0.25 0.04 0.00 0.00 177.00 178.07 2kdb n ASP 57 N -1.28 1.57 0.09 6.66 8.00 -1.26 -3.52 116.55 126.81 2kdb n ASP 57 Ca 0.08 -1.53 -0.04 0.00 0.71 0.00 0.00 54.79 54.01 2kdb n ASP 57 Cb 0.53 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 2kdb n ASP 57 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 2kdb h HIS 58 N 2.43 0.00 -3.01 1.24 2.07 -1.99 -3.38 115.15 112.51 2kdb h HIS 58 Ca 0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 2kdb h HIS 58 Cb 0.52 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.49 2kdb h HIS 58 CO 0.01 0.85 -0.20 -0.48 -3.07 0.00 0.00 177.93 175.03 2kdb s LEU 59 N -6.83 4.08 0.52 6.12 0.05 -1.23 -5.02 118.68 116.37 2kdb s LEU 59 Ca 0.01 0.57 -0.10 0.00 0.05 0.00 0.00 54.13 54.65 2kdb s LEU 59 Cb 0.10 -3.38 -0.05 0.00 -2.05 0.00 0.00 46.19 40.81 2kdb s LEU 59 CO 0.80 -0.19 0.91 -1.10 -0.55 0.00 0.00 176.35 176.22 2kdb s GLN 60 N -3.70 3.68 0.44 1.48 1.11 -1.26 -3.19 119.66 118.22 2kdb s GLN 60 Ca 0.41 0.59 0.10 0.00 0.01 0.00 0.00 55.36 56.48 2kdb s GLN 60 Cb -0.10 -2.23 0.99 0.00 -1.01 0.00 0.00 33.01 30.66 2kdb s GLN 60 CO 0.31 -0.32 2.07 -0.07 0.01 0.00 0.00 175.29 177.30 2kdb h LEU 61 N 0.34 0.34 -1.39 2.90 3.38 -1.45 -2.66 115.31 116.77 2kdb h LEU 61 Ca -0.46 -0.01 0.21 0.00 0.09 0.00 0.00 57.88 57.71 2kdb h LEU 61 Cb 1.19 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 2kdb h LEU 61 CO 0.62 0.24 0.61 0.07 0.09 0.00 0.00 178.44 180.07 2kdb h LYS 62 N 0.39 0.47 -0.93 1.13 5.09 -1.83 0.07 116.57 120.96 2kdb h LYS 62 Ca 0.13 -0.03 0.16 0.00 0.09 0.00 0.00 60.65 61.00 2kdb h LYS 62 Cb 0.02 -0.11 -0.08 0.00 0.10 0.00 0.00 32.23 32.17 2kdb h LYS 62 CO -0.03 0.31 0.59 0.22 -2.09 0.00 0.00 179.45 178.46 2kdb h ASP 63 N 0.48 0.67 0.00 7.07 3.58 -1.83 -1.16 116.42 125.24 2kdb h ASP 63 Ca 0.51 0.05 -0.22 0.00 0.42 0.00 0.00 57.03 57.79 2kdb h ASP 63 Cb 1.15 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 42.09 2kdb h ASP 63 CO -0.23 0.31 -1.89 -0.38 -2.88 0.00 0.00 179.24 174.17 2kdb n ILE 64 N -4.60 0.81 -0.04 2.25 -0.00 -0.84 -4.80 119.36 112.14 2kdb n ILE 64 Ca 0.19 -0.54 -0.01 0.00 -0.00 0.00 0.00 62.75 62.39 2kdb n ILE 64 Cb 0.52 -0.55 -0.11 0.00 -0.00 0.00 0.00 39.64 39.50 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 -2.44 0.00 0.15 1.39 4.77 -0.05 -4.31 117.00 116.52 2kdb n LEU 65 Ca -0.20 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 55.91 2kdb n LEU 65 Cb 0.87 0.20 0.55 0.00 -2.33 0.00 0.00 43.42 42.71 2kdb n LEU 65 CO 0.29 0.20 0.87 -0.09 -1.33 0.00 0.00 177.39 177.32 2kdb h ARG 66 N 0.00 0.00 -0.95 3.23 2.43 -1.40 0.09 114.38 117.79 2kdb h ARG 66 Ca -0.22 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.11 2kdb h ARG 66 Cb 1.37 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.83 2kdb h ARG 66 CO 0.01 0.00 0.55 0.87 -1.51 0.00 0.00 179.97 179.89 2kdb h LYS 67 N 0.00 0.74 0.00 0.20 1.57 -1.76 -3.16 116.57 114.16 2kdb h LYS 67 Ca 0.00 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.53 2kdb h LYS 67 Cb 0.27 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2kdb h LYS 67 CO 0.00 0.49 -1.78 0.94 -0.57 0.00 0.00 179.45 178.53 2kdb n GLN 68 N -4.77 0.84 0.00 3.15 7.27 -1.15 -5.03 117.38 117.68 2kdb n GLN 68 Ca 0.20 0.06 0.00 0.00 0.07 0.00 0.00 57.00 57.33 2kdb n GLN 68 Cb 0.47 -1.28 0.00 0.00 2.41 0.00 0.00 30.24 31.84 2kdb n GLN 68 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2kdb n ASP 69 N -2.77 0.00 0.33 1.69 2.03 0.01 -4.69 116.55 113.14 2kdb n ASP 69 Ca -0.23 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 54.92 2kdb n ASP 69 Cb 0.78 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.10 2kdb n ASP 69 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2kdb h GLU 70 N 0.00 -0.93 -3.84 -0.67 4.81 -1.92 -3.42 114.58 108.61 2kdb h GLU 70 Ca 0.00 0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 2kdb h GLU 70 Cb 0.00 0.21 -0.10 0.00 0.63 0.00 0.00 28.75 29.49 2kdb h GLU 70 CO 0.00 -0.62 -0.21 1.52 -0.73 0.00 0.00 179.01 178.97 2kdb s TYR 71 N -5.40 0.54 -0.03 0.92 1.13 -1.26 -1.73 117.35 111.53 2kdb s TYR 71 Ca -0.16 -0.87 -0.29 0.00 -1.41 0.00 0.00 57.07 54.34 2kdb s TYR 71 Cb 0.03 0.05 0.10 0.00 -1.10 0.00 0.00 41.96 41.03 2kdb s TYR 71 CO 0.50 -0.94 0.86 -1.01 -2.51 0.00 0.00 175.55 172.44 2kdb s HIS 72 N -3.97 -0.41 -0.24 -3.49 3.76 -1.02 -4.75 115.29 105.17 2kdb s HIS 72 Ca 0.26 0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 55.51 2kdb s HIS 72 Cb 0.01 0.51 -0.04 0.00 1.11 0.00 0.00 32.58 34.17 2kdb s HIS 72 CO 0.10 -0.54 0.09 0.00 -0.85 0.00 0.00 174.74 173.54 2kdb s MET 73 N -2.53 3.79 0.07 1.40 0.23 -1.26 -1.57 119.30 119.43 2kdb s MET 73 Ca 0.01 -0.42 0.09 0.00 -1.03 0.00 0.00 55.69 54.35 2kdb s MET 73 Cb -0.01 -3.35 -0.03 0.00 -1.53 0.00 0.00 34.83 29.91 2kdb s MET 73 CO -0.05 -0.07 -0.24 0.08 -2.03 0.00 0.00 175.02 172.71 2kdb s VAL 74 N 1.31 2.00 0.05 5.16 1.01 -0.46 -4.49 120.40 124.98 2kdb s VAL 74 Ca 0.05 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 60.53 2kdb s VAL 74 Cb -0.15 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2kdb s VAL 74 CO 0.04 0.21 0.28 -1.00 0.00 0.00 0.00 175.10 174.63 2kdb s HIS 75 N -0.91 3.54 0.12 5.22 3.76 -0.23 -1.08 115.29 125.72 2kdb s HIS 75 Ca 0.11 0.51 0.04 0.00 -0.15 0.00 0.00 55.06 55.57 2kdb s HIS 75 Cb -0.10 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 2kdb s HIS 75 CO 0.03 0.57 0.09 -1.17 -0.85 0.00 0.00 174.74 173.41 2kdb s LEU 76 N -2.09 3.77 0.00 0.89 2.96 0.13 -0.79 118.68 123.55 2kdb s LEU 76 Ca 0.32 -0.08 0.11 0.00 -0.22 0.00 0.00 54.13 54.26 2kdb s LEU 76 Cb -0.13 -2.42 0.09 0.00 0.50 0.00 0.00 46.19 44.23 2kdb s LEU 76 CO 0.20 0.13 0.86 0.52 -1.32 0.00 0.00 176.35 176.74