#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 4.94 -0.43 0.52 1.01 0.18 -4.76 120.40 121.85 2kdb s VAL 2 Ca 0.00 1.76 -0.28 0.00 0.00 0.00 0.00 61.98 63.46 2kdb s VAL 2 Cb 0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 2kdb s VAL 2 CO 0.00 0.17 1.59 -0.89 0.00 0.00 0.00 175.10 175.98 2kdb s THR 3 N 1.11 3.68 -0.52 3.92 2.01 0.90 -1.36 115.64 125.37 2kdb s THR 3 Ca 0.44 0.65 -0.09 0.00 0.31 0.00 0.00 61.69 63.01 2kdb s THR 3 Cb -0.19 -4.02 0.13 0.00 0.01 0.00 0.00 72.50 68.44 2kdb s THR 3 CO 0.22 -0.72 0.39 -0.22 -0.69 0.00 0.00 174.62 173.60 2kdb s LEU 4 N 6.42 5.76 -0.85 4.42 2.96 -0.12 -1.90 118.68 135.37 2kdb s LEU 4 Ca 0.67 -2.08 -0.25 0.00 -0.22 0.00 0.00 54.13 52.25 2kdb s LEU 4 Cb -0.16 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.56 2kdb s LEU 4 CO 0.31 -0.65 1.31 -0.63 -1.32 0.00 0.00 176.35 175.36 2kdb s ILE 5 N 1.12 3.89 -0.88 6.68 1.01 -0.05 -1.13 121.20 131.84 2kdb s ILE 5 Ca 0.08 -0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.30 2kdb s ILE 5 Cb -0.24 -4.95 0.03 0.00 0.01 0.00 0.00 42.46 37.31 2kdb s ILE 5 CO -0.02 -1.84 1.48 -0.63 0.00 0.00 0.00 174.94 173.93 2kdb s ILE 6 N 5.18 3.75 -0.19 2.92 -1.09 -0.47 -1.44 121.20 129.87 2kdb s ILE 6 Ca 0.38 -0.23 -0.12 0.00 -2.23 0.00 0.00 60.65 58.45 2kdb s ILE 6 Cb -0.06 -4.80 -0.05 0.00 -1.58 0.00 0.00 42.46 35.97 2kdb s ILE 6 CO 0.04 -1.72 0.22 -0.54 -1.23 0.00 0.00 174.94 171.71 2kdb s LYS 7 N 5.64 4.21 -0.26 2.79 1.02 -0.47 -2.03 119.74 130.64 2kdb s LYS 7 Ca 0.47 -0.06 -0.09 0.00 0.02 0.00 0.00 55.97 56.31 2kdb s LYS 7 Cb -0.05 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2kdb s LYS 7 CO 0.02 0.23 0.13 0.00 -0.92 0.00 0.00 175.35 174.81 2kdb s ALA 8 N 0.52 3.36 -1.21 5.17 0.00 -1.25 -1.11 121.76 127.25 2kdb s ALA 8 Ca 0.12 -1.07 0.14 0.00 0.00 0.00 0.00 51.96 51.15 2kdb s ALA 8 Cb -0.12 -2.25 0.63 0.00 0.00 0.00 0.00 23.12 21.38 2kdb s ALA 8 CO 0.02 -0.45 1.40 -0.35 0.00 0.00 0.00 175.76 176.38 2kdb n PRO 9 N 4.85 0.09 0.19 0.00 -0.04 -1.26 -2.13 135.00 136.70 2kdb n PRO 9 Ca -0.15 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 63.66 2kdb n PRO 9 Cb 0.52 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 33.03 2kdb n PRO 9 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2kdb h ASN 10 N 0.00 0.00 0.00 3.54 -0.73 -1.90 -3.47 115.58 113.02 2kdb h ASN 10 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2kdb h ASN 10 Cb 0.18 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.77 2kdb h ASN 10 CO 0.00 0.00 0.00 1.67 -0.37 0.00 0.00 177.43 178.73 2kdb n GLN 11 N -2.60 0.00 -0.34 6.67 0.00 -0.90 -4.70 117.38 115.50 2kdb n GLN 11 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.13 2kdb n GLN 11 Cb 0.28 0.00 0.29 0.00 0.00 0.00 0.00 30.24 30.81 2kdb n GLN 11 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 2kdb h LYS 12 N 0.00 0.74 -5.15 3.69 3.64 -1.92 -3.33 116.57 114.24 2kdb h LYS 12 Ca 0.00 -0.04 -0.67 0.00 -1.27 0.00 0.00 60.65 58.67 2kdb h LYS 12 Cb 0.00 -0.17 -0.17 0.00 -0.41 0.00 0.00 32.23 31.49 2kdb h LYS 12 CO 0.00 0.49 -0.05 0.71 -2.27 0.00 0.00 179.45 178.33 2kdb s TYR 13 N -5.89 3.13 0.65 1.91 2.02 -1.26 -5.07 117.35 112.83 2kdb s TYR 13 Ca -0.11 -0.16 -0.14 0.00 -0.37 0.00 0.00 57.07 56.29 2kdb s TYR 13 Cb 0.24 -3.09 -0.01 0.00 -0.40 0.00 0.00 41.96 38.70 2kdb s TYR 13 CO 0.80 -0.75 1.07 -1.54 -1.57 0.00 0.00 175.55 173.56 2kdb s SER 14 N 1.88 5.42 0.17 2.29 1.04 -1.25 -3.74 113.70 119.51 2kdb s SER 14 Ca 0.17 1.81 -0.32 0.00 0.48 0.00 0.00 55.95 58.10 2kdb s SER 14 Cb -0.16 -2.53 -0.11 0.00 0.10 0.00 0.00 66.02 63.33 2kdb s SER 14 CO 0.16 -1.42 1.67 1.51 0.98 0.00 0.00 173.24 176.14 2kdb s ASP 15 N -3.04 6.49 -0.11 7.02 -4.77 -1.26 -4.72 116.67 116.28 2kdb s ASP 15 Ca 0.63 2.72 -0.00 0.00 -3.30 0.00 0.00 52.55 52.60 2kdb s ASP 15 Cb -0.17 -2.59 0.02 0.00 -1.09 0.00 0.00 42.92 39.10 2kdb s ASP 15 CO 0.44 -0.91 -0.09 -1.10 0.70 0.00 0.00 175.17 174.21 2kdb s GLN 16 N 1.51 1.60 -0.90 2.11 -0.21 -0.86 -4.95 119.66 117.97 2kdb s GLN 16 Ca 0.74 -0.29 -0.25 0.00 0.02 0.00 0.00 55.36 55.58 2kdb s GLN 16 Cb -0.46 -1.61 0.03 0.00 1.00 0.00 0.00 33.01 31.97 2kdb s GLN 16 CO 0.32 -0.24 1.46 0.95 -2.12 0.00 0.00 175.29 175.67 2kdb s THR 17 N 1.60 3.78 -0.65 -0.19 -4.23 -1.26 -1.36 115.64 113.32 2kdb s THR 17 Ca 0.03 -0.30 -0.25 0.00 -1.18 0.00 0.00 61.69 59.99 2kdb s THR 17 Cb -0.13 -4.86 0.05 0.00 1.34 0.00 0.00 72.50 68.90 2kdb s THR 17 CO -0.07 -1.77 1.09 -0.63 -0.54 0.00 0.00 174.62 172.69 2kdb s ILE 18 N 5.89 4.11 -0.75 2.99 -1.09 -0.28 -4.81 121.20 127.26 2kdb s ILE 18 Ca 0.46 0.17 -0.26 0.00 -2.23 0.00 0.00 60.65 58.79 2kdb s ILE 18 Cb -0.04 -4.73 0.01 0.00 -1.58 0.00 0.00 42.46 36.12 2kdb s ILE 18 CO 0.00 -1.50 1.53 -0.94 -1.23 0.00 0.00 174.94 172.80 2kdb s SER 19 N 3.43 5.86 0.33 3.58 1.04 -1.26 -0.95 113.70 125.74 2kdb s SER 19 Ca 0.30 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.39 2kdb s SER 19 Cb -0.12 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 2kdb s SER 19 CO 0.15 -2.03 0.38 0.00 0.98 0.00 0.00 173.24 172.73 2kdb s PHE 21 N -3.25 3.38 -0.90 0.00 0.40 -1.26 -0.65 117.98 115.70 2kdb s PHE 21 Ca 0.35 0.31 0.23 0.00 -0.60 0.00 0.00 56.93 57.22 2kdb s PHE 21 Cb 0.01 -1.95 0.94 0.00 0.51 0.00 0.00 43.02 42.54 2kdb s PHE 21 CO 0.23 0.49 1.73 1.28 0.70 0.00 0.00 175.22 179.65 2kdb n LEU 22 N 2.51 0.20 -0.34 -0.37 4.77 -1.26 -3.76 117.00 118.75 2kdb n LEU 22 Ca -0.18 0.53 0.11 0.00 -0.03 0.00 0.00 56.01 56.43 2kdb n LEU 22 Cb 0.54 -0.48 0.30 0.00 -2.33 0.00 0.00 43.42 41.44 2kdb n LEU 22 CO 0.32 -0.18 1.22 -1.13 -1.33 0.00 0.00 177.39 176.29 2kdb h ASN 23 N 0.00 0.82 -4.07 -1.43 -1.24 -1.97 -2.49 115.58 105.21 2kdb h ASN 23 Ca 0.00 0.07 -0.46 0.00 0.71 0.00 0.00 56.30 56.62 2kdb h ASN 23 Cb 0.44 -0.09 0.11 0.00 0.73 0.00 0.00 38.32 39.51 2kdb h ASN 23 CO 0.00 0.38 0.35 0.26 -1.29 0.00 0.00 177.43 177.12 2kdb s TRP 24 N -5.86 2.48 0.76 0.67 0.51 -1.25 -4.87 118.94 111.38 2kdb s TRP 24 Ca -0.11 0.48 -0.11 0.00 -2.12 0.00 0.00 56.10 54.24 2kdb s TRP 24 Cb 0.23 -3.56 0.05 0.00 -0.81 0.00 0.00 33.47 29.39 2kdb s TRP 24 CO 0.80 -1.92 1.08 0.95 -0.51 0.00 0.00 176.95 177.36 2kdb s THR 25 N -3.55 3.45 0.38 2.01 -4.23 -1.26 -2.57 115.64 109.87 2kdb s THR 25 Ca 0.65 0.47 0.07 0.00 -1.18 0.00 0.00 61.69 61.70 2kdb s THR 25 Cb -0.09 -3.14 0.30 0.00 1.34 0.00 0.00 72.50 70.91 2kdb s THR 25 CO 0.49 -0.62 1.97 0.58 -0.54 0.00 0.00 174.62 176.50 2kdb h VAL 26 N -1.00 1.01 0.05 2.29 2.07 -1.38 -2.45 116.25 116.83 2kdb h VAL 26 Ca -0.45 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2kdb h VAL 26 Cb 1.24 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2kdb h VAL 26 CO 0.56 0.12 -0.02 1.23 0.02 0.00 0.00 177.57 179.48 2kdb h GLY 27 N 0.68 -0.06 1.69 2.17 0.00 -1.74 0.19 103.07 106.00 2kdb h GLY 27 Ca 0.29 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 2kdb h GLY 27 CO -0.09 -0.02 -0.04 0.50 0.00 0.00 0.00 176.54 176.89 2kdb h LYS 28 N -0.36 0.39 -0.23 4.80 1.57 -1.80 -0.71 116.57 120.22 2kdb h LYS 28 Ca -0.01 -0.08 -0.20 0.00 -1.87 0.00 0.00 60.65 58.50 2kdb h LYS 28 Cb 0.33 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2kdb h LYS 28 CO 0.01 0.45 -0.63 1.25 -0.57 0.00 0.00 179.45 179.95 2kdb h LEU 29 N 0.37 0.92 -1.08 2.94 7.12 -1.43 -2.05 115.31 122.10 2kdb h LEU 29 Ca 0.08 -0.53 -0.08 0.00 0.13 0.00 0.00 57.88 57.47 2kdb h LEU 29 Cb 0.32 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.16 2kdb h LEU 29 CO 0.01 1.33 -0.23 0.50 -0.13 0.00 0.00 178.44 179.92 2kdb h LYS 30 N 0.60 0.38 -0.28 1.25 3.64 -0.36 0.53 116.57 122.32 2kdb h LYS 30 Ca -0.01 -0.13 -0.19 0.00 -1.27 0.00 0.00 60.65 59.05 2kdb h LYS 30 Cb 1.24 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2kdb h LYS 30 CO 0.13 0.59 -0.57 1.15 -2.27 0.00 0.00 179.45 178.48 2kdb h THR 31 N 0.34 1.27 -0.68 1.00 2.02 -1.16 -0.92 112.91 114.78 2kdb h THR 31 Ca 0.06 -1.75 -0.02 0.00 0.77 0.00 0.00 66.41 65.46 2kdb h THR 31 Cb 0.59 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 2kdb h THR 31 CO 0.04 0.57 0.33 -0.74 0.37 0.00 0.00 175.52 176.09 2kdb h HIS 32 N 0.66 0.97 -0.35 3.16 -0.00 -0.80 -2.18 115.15 116.61 2kdb h HIS 32 Ca 0.01 -0.04 -0.17 0.00 -0.00 0.00 0.00 60.37 60.17 2kdb h HIS 32 Cb 1.18 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 28.29 2kdb h HIS 32 CO 0.07 0.71 -0.44 -0.07 -0.00 0.00 0.00 177.93 178.20 2kdb h LEU 33 N 0.97 0.98 -2.66 0.26 3.38 -0.85 -1.26 115.31 116.12 2kdb h LEU 33 Ca 0.24 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2kdb h LEU 33 Cb 0.10 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2kdb h LEU 33 CO -0.03 1.28 -0.01 -1.28 0.09 0.00 0.00 178.44 178.49 2kdb h SER 34 N 0.71 0.00 0.00 -0.43 0.87 -0.66 0.07 113.55 114.11 2kdb h SER 34 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2kdb h SER 34 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2kdb h SER 34 CO 0.10 0.01 -0.37 0.78 -0.53 0.00 0.00 176.83 176.82 2kdb h ASN 35 N 0.00 0.00 0.19 6.23 2.35 -1.26 -3.42 115.58 119.67 2kdb h ASN 35 Ca -0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 2kdb h ASN 35 Cb 0.05 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.44 2kdb h ASN 35 CO 0.00 0.67 -1.09 -0.37 -1.65 0.00 0.00 177.43 174.99 2kdb h VAL 36 N -0.97 1.41 -3.33 2.81 -1.51 -1.03 -3.46 116.25 110.17 2kdb h VAL 36 Ca 0.00 -2.60 -0.53 0.00 -1.23 0.00 0.00 66.70 62.34 2kdb h VAL 36 Cb 0.37 3.14 0.01 0.00 -2.13 0.00 0.00 31.29 32.68 2kdb h VAL 36 CO 0.00 0.76 0.57 -0.47 -1.23 0.00 0.00 177.57 177.20 2kdb s TYR 37 N -2.50 3.42 0.52 5.19 6.14 -0.01 -4.94 117.35 125.18 2kdb s TYR 37 Ca -0.12 1.33 0.22 0.00 0.64 0.00 0.00 57.07 59.15 2kdb s TYR 37 Cb 0.02 -3.45 1.46 0.00 0.42 0.00 0.00 41.96 40.41 2kdb s TYR 37 CO 0.88 -1.34 2.16 -1.00 0.64 0.00 0.00 175.55 176.89 2kdb h PRO 38 N 5.96 0.00 0.00 4.97 0.13 -1.88 -0.54 132.00 140.64 2kdb h PRO 38 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 2kdb h PRO 38 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2kdb h PRO 38 CO 0.78 0.04 -0.37 1.03 -0.23 0.00 0.00 178.00 179.25 2kdb h SER 39 N 0.00 0.00 -5.31 1.44 0.87 -1.92 -3.48 113.55 105.16 2kdb h SER 39 Ca -0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 2kdb h SER 39 Cb 0.09 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.13 2kdb h SER 39 CO 0.01 0.37 -0.37 0.29 -0.53 0.00 0.00 176.83 176.60 2kdb n LYS 40 N -3.85 -1.66 -1.52 2.24 5.02 -0.21 -4.83 118.16 113.35 2kdb n LYS 40 Ca -0.01 1.18 -0.39 0.00 -2.02 0.00 0.00 58.31 57.07 2kdb n LYS 40 Cb 0.44 -5.62 -0.10 0.00 -0.02 0.00 0.00 35.03 29.73 2kdb n LYS 40 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2kdb n PRO 41 N -2.37 0.43 -1.87 1.97 -0.02 -1.26 -4.79 135.00 127.10 2kdb n PRO 41 Ca -0.03 -0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.03 2kdb n PRO 41 Cb 0.55 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 2kdb n PRO 41 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kdb s LEU 42 N 10.34 4.37 0.50 2.45 1.43 -1.26 -4.07 118.68 132.43 2kdb s LEU 42 Ca 1.20 2.76 0.28 0.00 -1.03 0.00 0.00 54.13 57.33 2kdb s LEU 42 Cb -0.81 -3.61 1.28 0.00 0.03 0.00 0.00 46.19 43.08 2kdb s LEU 42 CO 0.40 -0.86 1.98 0.71 0.23 0.00 0.00 176.35 178.81 2kdb h THR 43 N 3.75 0.46 -0.12 5.49 1.35 -1.88 0.11 112.91 122.07 2kdb h THR 43 Ca -0.44 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 2kdb h THR 43 Cb 1.21 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2kdb h THR 43 CO 0.87 0.14 0.00 2.29 -0.25 0.00 0.00 175.52 178.57 2kdb n LYS 44 N -3.44 2.05 0.07 4.72 -0.00 -1.26 -4.60 118.16 115.70 2kdb n LYS 44 Ca -0.01 -1.55 0.00 0.00 -0.00 0.00 0.00 58.31 56.76 2kdb n LYS 44 Cb 0.31 -1.46 0.00 0.00 -0.00 0.00 0.00 35.03 33.88 2kdb n LYS 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kdb n ASP 45 N 0.82 0.71 -4.55 -5.58 8.00 -0.96 -5.03 116.55 109.95 2kdb n ASP 45 Ca 0.17 0.23 -0.40 0.00 0.71 0.00 0.00 54.79 55.49 2kdb n ASP 45 Cb 0.47 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.94 3.33 0.51 -1.24 -1.52 0.36 -4.94 119.66 114.22 2kdb s GLN 46 Ca 0.00 -0.60 0.02 0.00 -1.95 0.00 0.00 55.36 52.83 2kdb s GLN 46 Cb 0.00 -4.74 0.02 0.00 -0.22 0.00 0.00 33.01 28.08 2kdb s GLN 46 CO 0.00 -2.23 0.72 1.03 -0.25 0.00 0.00 175.29 174.56 2kdb s ARG 47 N 5.48 2.69 -0.27 2.91 0.52 -0.71 -4.73 118.95 124.85 2kdb s ARG 47 Ca 0.42 -0.80 0.03 0.00 -0.52 0.00 0.00 55.73 54.86 2kdb s ARG 47 Cb -0.05 -2.55 0.06 0.00 0.52 0.00 0.00 34.95 32.94 2kdb s ARG 47 CO 0.04 -0.55 -0.10 -0.51 0.02 0.00 0.00 175.30 174.20 2kdb s LEU 48 N -4.65 3.53 -0.28 2.53 1.43 -1.26 -1.71 118.68 118.27 2kdb s LEU 48 Ca 0.55 -1.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.11 2kdb s LEU 48 Cb -0.10 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 2kdb s LEU 48 CO 0.37 -0.20 0.14 -0.69 0.23 0.00 0.00 176.35 176.20 2kdb s VAL 49 N 1.09 4.82 -0.34 -1.59 1.01 -0.49 -0.79 120.40 124.10 2kdb s VAL 49 Ca -0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2kdb s VAL 49 Cb -0.20 -3.32 0.07 0.00 0.00 0.00 0.00 36.38 32.93 2kdb s VAL 49 CO -0.05 0.23 0.08 -0.47 0.00 0.00 0.00 175.10 174.89 2kdb s TYR 50 N 1.68 3.37 -0.95 5.22 5.04 -0.02 -1.03 117.35 130.65 2kdb s TYR 50 Ca 0.06 -1.99 0.00 0.00 -2.44 0.00 0.00 57.07 52.71 2kdb s TYR 50 Cb -0.16 -2.49 0.00 0.00 0.35 0.00 0.00 41.96 39.66 2kdb s TYR 50 CO 0.07 -0.85 0.00 -1.13 -1.34 0.00 0.00 175.55 172.31 2kdb n SER 51 N 4.64 -3.58 0.00 4.32 3.41 -1.26 -2.04 113.62 119.11 2kdb n SER 51 Ca -0.09 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2kdb n SER 51 Cb 0.43 -3.07 0.00 0.00 -0.26 0.00 0.00 64.21 61.31 2kdb n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kdb n GLY 52 N -0.75 3.43 3.90 5.00 0.00 -1.26 -5.11 105.19 110.39 2kdb n GLY 52 Ca -0.13 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 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 3.06 -0.13 1.61 1.70 -0.86 -5.03 118.95 119.30 2kdb s ARG 53 Ca 0.00 0.30 -0.07 0.00 -0.47 0.00 0.00 55.73 55.48 2kdb s ARG 53 Cb 0.00 -2.16 -0.04 0.00 -0.57 0.00 0.00 34.95 32.17 2kdb s ARG 53 CO 0.00 -0.75 0.13 -1.17 -1.08 0.00 0.00 175.30 172.43 2kdb s LEU 54 N -5.12 4.30 -0.61 -1.89 1.98 -1.26 -0.84 118.68 115.24 2kdb s LEU 54 Ca 0.55 0.41 -0.14 0.00 -2.89 0.00 0.00 54.13 52.06 2kdb s LEU 54 Cb -0.11 -2.06 0.15 0.00 0.66 0.00 0.00 46.19 44.84 2kdb s LEU 54 CO 0.49 0.37 0.55 -0.76 -1.89 0.00 0.00 176.35 175.10 2kdb s LEU 55 N -0.78 6.23 0.48 -0.68 1.43 0.03 -4.94 118.68 120.45 2kdb s LEU 55 Ca 0.14 -2.10 -0.21 0.00 -1.03 0.00 0.00 54.13 50.93 2kdb s LEU 55 Cb -0.12 -2.16 -0.08 0.00 0.03 0.00 0.00 46.19 43.85 2kdb s LEU 55 CO 0.03 -0.73 1.04 -2.16 0.23 0.00 0.00 176.35 174.76 2kdb s PRO 56 N 1.09 3.81 0.62 1.29 0.04 -1.26 -4.43 135.00 136.17 2kdb s PRO 56 Ca 0.08 1.39 0.40 0.00 0.04 0.00 0.00 61.00 62.90 2kdb s PRO 56 Cb -0.24 -2.13 1.98 0.00 0.04 0.00 0.00 34.50 34.16 2kdb s PRO 56 CO -0.01 -0.42 2.21 0.38 0.04 0.00 0.00 177.00 179.20 2kdb h ASP 57 N 1.63 0.00 0.55 6.66 3.04 -1.98 -3.15 116.42 123.17 2kdb h ASP 57 Ca -0.49 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.19 2kdb h ASP 57 Cb 1.22 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.50 2kdb h ASP 57 CO 0.59 0.01 -0.52 1.12 -2.04 0.00 0.00 179.24 178.40 2kdb h HIS 58 N 0.00 0.00 -1.79 4.15 2.07 -1.96 -2.70 115.15 114.92 2kdb h HIS 58 Ca -0.00 0.00 -0.46 0.00 -2.85 0.00 0.00 60.37 57.05 2kdb h HIS 58 Cb 0.21 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.18 2kdb h HIS 58 CO 0.00 0.52 -0.39 -0.48 -3.07 0.00 0.00 177.93 174.52 2kdb s LEU 59 N -7.76 3.77 0.33 6.12 0.05 -1.19 -4.93 118.68 115.07 2kdb s LEU 59 Ca -0.02 -0.35 -0.27 0.00 0.05 0.00 0.00 54.13 53.54 2kdb s LEU 59 Cb 0.13 -2.49 -0.09 0.00 -2.05 0.00 0.00 46.19 41.69 2kdb s LEU 59 CO 0.74 -0.42 1.03 -1.10 -0.55 0.00 0.00 176.35 176.05 2kdb s GLN 60 N -4.10 4.47 0.23 1.48 1.11 -1.26 -1.57 119.66 120.02 2kdb s GLN 60 Ca 0.44 1.55 -0.07 0.00 0.01 0.00 0.00 55.36 57.29 2kdb s GLN 60 Cb -0.08 -2.86 0.30 0.00 -1.01 0.00 0.00 33.01 29.36 2kdb s GLN 60 CO 0.29 0.13 1.83 -0.07 0.01 0.00 0.00 175.29 177.48 2kdb h LEU 61 N 3.21 0.71 -1.70 2.90 3.38 -1.45 -2.87 115.31 119.49 2kdb h LEU 61 Ca -0.47 0.02 0.18 0.00 0.09 0.00 0.00 57.88 57.70 2kdb h LEU 61 Cb 1.21 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 2kdb h LEU 61 CO 0.65 0.45 0.52 0.07 0.09 0.00 0.00 178.44 180.22 2kdb h LYS 62 N 0.84 0.27 -0.99 1.13 5.09 -1.71 -1.17 116.57 120.04 2kdb h LYS 62 Ca 0.35 -0.02 0.06 0.00 0.09 0.00 0.00 60.65 61.13 2kdb h LYS 62 Cb 0.19 -0.06 -0.06 0.00 0.10 0.00 0.00 32.23 32.40 2kdb h LYS 62 CO -0.18 0.18 0.64 0.22 -2.09 0.00 0.00 179.45 178.22 2kdb h ASP 63 N 0.28 1.02 0.20 7.07 3.58 -1.81 -0.25 116.42 126.52 2kdb h ASP 63 Ca 0.38 0.01 -0.34 0.00 0.42 0.00 0.00 57.03 57.49 2kdb h ASP 63 Cb 1.07 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 41.85 2kdb h ASP 63 CO -0.10 0.66 -2.09 -0.38 -2.88 0.00 0.00 179.24 174.45 2kdb n ILE 64 N -4.49 1.54 -0.86 2.25 -0.00 -0.91 -4.45 119.36 112.44 2kdb n ILE 64 Ca 0.15 -0.77 -0.04 0.00 -0.00 0.00 0.00 62.75 62.08 2kdb n ILE 64 Cb 0.17 -0.97 0.30 0.00 -0.00 0.00 0.00 39.64 39.15 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 -3.02 5.79 0.19 1.39 4.77 -0.49 -4.23 117.00 121.40 2kdb n LEU 65 Ca -0.28 -3.00 0.14 0.00 -0.03 0.00 0.00 56.01 52.84 2kdb n LEU 65 Cb 1.08 -0.73 0.51 0.00 -2.33 0.00 0.00 43.42 41.96 2kdb n LEU 65 CO 0.42 0.75 0.90 0.08 -1.33 0.00 0.00 177.39 178.21 2kdb h ARG 66 N 2.67 0.00 0.12 3.23 0.11 -1.28 -2.83 114.38 116.40 2kdb h ARG 66 Ca 0.22 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.29 2kdb h ARG 66 Cb 2.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.27 2kdb h ARG 66 CO 0.67 0.00 -0.10 0.87 0.10 0.00 0.00 179.97 181.51 2kdb h LYS 67 N 0.00 -0.20 0.03 0.08 1.57 -1.87 -3.35 116.57 112.82 2kdb h LYS 67 Ca 0.00 0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.46 2kdb h LYS 67 Cb 0.55 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 2kdb h LYS 67 CO 0.00 -0.14 -2.02 1.04 -0.57 0.00 0.00 179.45 177.77 2kdb n GLN 68 N -2.87 0.68 -1.45 3.15 6.02 -1.26 -4.99 117.38 116.66 2kdb n GLN 68 Ca -0.03 0.20 -0.16 0.00 -0.01 0.00 0.00 57.00 57.01 2kdb n GLN 68 Cb 0.09 -1.68 -0.07 0.00 1.02 0.00 0.00 30.24 29.61 2kdb n GLN 68 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2kdb n ASP 69 N -3.09 -4.89 0.08 1.08 2.03 -1.07 -4.64 116.55 106.05 2kdb n ASP 69 Ca -0.27 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2kdb n ASP 69 Cb 1.07 -4.17 0.00 0.00 -0.72 0.00 0.00 41.12 37.30 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 -1.81 0.00 -4.84 -0.67 2.13 -1.26 -4.89 120.64 109.30 2kdb n GLU 70 Ca -0.16 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.40 2kdb n GLU 70 Cb 0.58 -0.06 -0.16 0.00 0.27 0.00 0.00 31.44 32.07 2kdb n GLU 70 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 2kdb s TYR 71 N -1.61 1.76 -0.13 4.31 1.13 -1.25 -0.07 117.35 121.49 2kdb s TYR 71 Ca 0.00 -0.55 -0.04 0.00 -1.41 0.00 0.00 57.07 55.07 2kdb s TYR 71 Cb 0.00 -1.20 0.06 0.00 -1.10 0.00 0.00 41.96 39.72 2kdb s TYR 71 CO 0.00 -0.21 0.15 -1.01 -2.51 0.00 0.00 175.55 171.97 2kdb s HIS 72 N 0.15 -0.08 -0.70 -3.49 3.76 -0.80 -4.82 115.29 109.32 2kdb s HIS 72 Ca -0.07 0.23 -0.25 0.00 -0.15 0.00 0.00 55.06 54.83 2kdb s HIS 72 Cb -0.13 -0.42 0.05 0.00 1.11 0.00 0.00 32.58 33.19 2kdb s HIS 72 CO 0.03 -0.41 1.13 0.00 -0.85 0.00 0.00 174.74 174.64 2kdb s MET 73 N 2.25 3.16 -0.07 1.40 0.23 -1.26 -0.87 119.30 124.14 2kdb s MET 73 Ca 0.04 -0.51 0.02 0.00 -1.03 0.00 0.00 55.69 54.22 2kdb s MET 73 Cb -0.14 -4.20 -0.03 0.00 -1.53 0.00 0.00 34.83 28.94 2kdb s MET 73 CO -0.08 -1.99 -0.12 0.08 -2.03 0.00 0.00 175.02 170.89 2kdb s VAL 74 N 4.95 3.29 -0.45 5.16 1.01 -0.52 -4.65 120.40 129.19 2kdb s VAL 74 Ca 0.29 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 2kdb s VAL 74 Cb -0.12 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.96 2kdb s VAL 74 CO 0.13 0.58 0.74 -1.00 0.00 0.00 0.00 175.10 175.56 2kdb s HIS 75 N -0.61 3.01 -0.73 5.22 3.76 -0.20 -1.37 115.29 124.38 2kdb s HIS 75 Ca 0.09 0.10 -0.26 0.00 -0.15 0.00 0.00 55.06 54.83 2kdb s HIS 75 Cb -0.11 -3.58 0.01 0.00 1.11 0.00 0.00 32.58 30.01 2kdb s HIS 75 CO 0.01 -0.96 1.58 -1.17 -0.85 0.00 0.00 174.74 173.35 2kdb s LEU 76 N 3.16 3.24 0.00 0.89 2.96 -0.26 -1.40 118.68 127.27 2kdb s LEU 76 Ca 0.28 -0.25 0.26 0.00 -0.22 0.00 0.00 54.13 54.20 2kdb s LEU 76 Cb -0.13 -2.55 0.67 0.00 0.50 0.00 0.00 46.19 44.68 2kdb s LEU 76 CO 0.22 -2.09 1.53 1.33 -1.32 0.00 0.00 176.35 176.01