#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 4.77 -0.65 0.52 1.01 -0.06 -4.86 120.40 121.12 2kdb s VAL 2 Ca 0.00 0.93 -0.26 0.00 0.00 0.00 0.00 61.98 62.65 2kdb s VAL 2 Cb 0.00 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2kdb s VAL 2 CO 0.00 0.16 1.14 -0.89 0.00 0.00 0.00 175.10 175.51 2kdb s THR 3 N -1.57 4.02 -0.62 3.92 2.01 -0.44 -1.06 115.64 121.91 2kdb s THR 3 Ca 0.42 0.35 -0.17 0.00 0.31 0.00 0.00 61.69 62.59 2kdb s THR 3 Cb -0.15 -4.76 0.13 0.00 0.01 0.00 0.00 72.50 67.74 2kdb s THR 3 CO 0.20 -1.53 0.64 -0.22 -0.69 0.00 0.00 174.62 173.02 2kdb s LEU 4 N 4.92 5.94 -0.87 4.42 2.96 -0.32 -1.46 118.68 134.27 2kdb s LEU 4 Ca 0.33 -1.81 -0.25 0.00 -0.22 0.00 0.00 54.13 52.18 2kdb s LEU 4 Cb -0.10 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.36 2kdb s LEU 4 CO 0.17 -0.92 1.48 -0.63 -1.32 0.00 0.00 176.35 175.13 2kdb s ILE 5 N 1.82 3.74 -0.29 6.68 1.01 -0.23 -1.50 121.20 132.43 2kdb s ILE 5 Ca 0.10 -0.20 -0.28 0.00 0.00 0.00 0.00 60.65 60.27 2kdb s ILE 5 Cb -0.24 -4.79 0.01 0.00 0.01 0.00 0.00 42.46 37.45 2kdb s ILE 5 CO 0.02 -1.71 1.00 -0.63 0.00 0.00 0.00 174.94 173.62 2kdb s ILE 6 N 6.19 4.63 -0.08 2.92 -1.09 0.08 -1.12 121.20 132.73 2kdb s ILE 6 Ca 0.47 1.71 0.03 0.00 -2.23 0.00 0.00 60.65 60.63 2kdb s ILE 6 Cb -0.05 -4.32 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 2kdb s ILE 6 CO 0.03 -0.33 -0.17 -0.54 -1.23 0.00 0.00 174.94 172.70 2kdb s LYS 7 N 3.35 2.82 0.55 2.79 1.02 -1.00 -2.27 119.74 127.01 2kdb s LYS 7 Ca 0.42 -0.75 -0.17 0.00 0.02 0.00 0.00 55.97 55.48 2kdb s LYS 7 Cb -0.13 -2.40 -0.06 0.00 -0.52 0.00 0.00 37.83 34.72 2kdb s LYS 7 CO 0.12 0.42 1.05 0.00 -0.92 0.00 0.00 175.35 176.01 2kdb s ALA 8 N -0.20 2.80 0.19 5.17 0.00 -1.26 -1.32 121.76 127.14 2kdb s ALA 8 Ca -0.01 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 2kdb s ALA 8 Cb -0.13 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 19.86 2kdb s ALA 8 CO 0.03 -0.61 1.85 -1.00 0.00 0.00 0.00 175.76 176.03 2kdb h PRO 9 N 0.84 0.85 0.00 0.00 0.13 -1.93 -1.55 132.00 130.34 2kdb h PRO 9 Ca -0.48 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2kdb h PRO 9 Cb 1.22 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kdb h PRO 9 CO 0.58 0.57 -0.09 0.09 -0.23 0.00 0.00 178.00 178.93 2kdb n ASN 10 N -4.63 0.21 -3.17 1.44 4.13 -1.26 -4.94 115.26 107.05 2kdb n ASN 10 Ca 0.05 0.40 -0.18 0.00 1.68 0.00 0.00 54.58 56.53 2kdb n ASN 10 Cb 0.03 -0.43 0.07 0.00 -1.54 0.00 0.00 39.78 37.91 2kdb n ASN 10 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2kdb n GLN 11 N -1.64 -6.38 0.18 3.52 7.27 -0.58 -4.92 117.38 114.83 2kdb n GLN 11 Ca 0.06 0.73 0.14 0.00 0.07 0.00 0.00 57.00 58.01 2kdb n GLN 11 Cb 0.36 -5.45 0.49 0.00 2.41 0.00 0.00 30.24 28.04 2kdb n GLN 11 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2kdb h LYS 12 N -2.01 0.00 -6.32 3.69 1.57 -1.92 -3.43 116.57 108.15 2kdb h LYS 12 Ca -0.51 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.67 2kdb h LYS 12 Cb 1.31 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.49 2kdb h LYS 12 CO 0.46 0.00 -0.72 0.71 -0.57 0.00 0.00 179.45 179.33 2kdb s TYR 13 N -3.37 2.51 0.00 -1.35 2.02 -1.26 -5.08 117.35 110.83 2kdb s TYR 13 Ca 0.05 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 2kdb s TYR 13 Cb 0.09 -1.15 0.00 0.00 -0.40 0.00 0.00 41.96 40.50 2kdb s TYR 13 CO 0.52 0.61 0.00 -1.13 -1.57 0.00 0.00 175.55 173.97 2kdb n SER 14 N -0.43 0.00 -4.57 2.29 3.41 -1.26 -4.40 113.62 108.66 2kdb n SER 14 Ca -0.08 -0.26 -0.27 0.00 -0.26 0.00 0.00 58.87 58.00 2kdb n SER 14 Cb 0.58 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 2kdb n SER 14 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2kdb s ASP 15 N -1.00 5.05 -0.59 4.04 -4.77 -1.26 -4.53 116.67 113.61 2kdb s ASP 15 Ca 0.00 -1.10 -0.27 0.00 -3.30 0.00 0.00 52.55 47.88 2kdb s ASP 15 Cb 0.00 -2.57 0.03 0.00 -1.09 0.00 0.00 42.92 39.29 2kdb s ASP 15 CO 0.00 -2.94 1.16 -1.10 0.70 0.00 0.00 175.17 172.99 2kdb s GLN 16 N 6.82 3.44 -0.75 2.11 -1.52 -0.96 -4.90 119.66 123.90 2kdb s GLN 16 Ca 0.70 0.09 -0.21 0.00 -1.95 0.00 0.00 55.36 53.99 2kdb s GLN 16 Cb -0.04 -4.04 0.09 0.00 -0.22 0.00 0.00 33.01 28.79 2kdb s GLN 16 CO 0.06 -1.70 1.02 0.95 -0.25 0.00 0.00 175.29 175.37 2kdb s THR 17 N 4.86 4.45 -0.08 -0.19 -4.23 -1.26 -0.74 115.64 118.44 2kdb s THR 17 Ca 0.40 -0.76 -0.21 0.00 -1.18 0.00 0.00 61.69 59.94 2kdb s THR 17 Cb -0.08 -4.72 -0.04 0.00 1.34 0.00 0.00 72.50 68.99 2kdb s THR 17 CO 0.23 -1.48 0.61 -0.63 -0.54 0.00 0.00 174.62 172.81 2kdb s ILE 18 N 3.64 5.08 -0.77 2.99 -1.09 -0.56 -4.90 121.20 125.59 2kdb s ILE 18 Ca 0.26 1.25 -0.26 0.00 -2.23 0.00 0.00 60.65 59.67 2kdb s ILE 18 Cb -0.13 -3.95 0.01 0.00 -1.58 0.00 0.00 42.46 36.81 2kdb s ILE 18 CO 0.03 0.30 1.55 -0.94 -1.23 0.00 0.00 174.94 174.65 2kdb s SER 19 N 0.60 5.85 0.45 3.58 1.04 -1.26 -1.18 113.70 122.79 2kdb s SER 19 Ca 0.33 -0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.41 2kdb s SER 19 Cb -0.17 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.41 2kdb s SER 19 CO 0.15 -2.04 0.49 0.00 0.98 0.00 0.00 173.24 172.82 2kdb s PHE 21 N -2.49 1.71 0.23 0.00 0.40 -1.26 -0.88 117.98 115.69 2kdb s PHE 21 Ca 0.50 -0.80 0.35 0.00 -0.60 0.00 0.00 56.93 56.39 2kdb s PHE 21 Cb -0.05 -1.29 1.58 0.00 0.51 0.00 0.00 43.02 43.76 2kdb s PHE 21 CO 0.30 -0.45 2.06 -0.07 0.70 0.00 0.00 175.22 177.76 2kdb h LEU 22 N 7.59 0.00 -0.90 -0.37 3.38 -1.96 -3.09 115.31 119.97 2kdb h LEU 22 Ca -0.31 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.87 2kdb h LEU 22 Cb 1.16 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.79 2kdb h LEU 22 CO 0.47 0.01 0.41 -1.13 0.09 0.00 0.00 178.44 178.30 2kdb h ASN 23 N 0.00 0.38 -3.67 -0.43 -0.73 -1.96 -2.26 115.58 106.91 2kdb h ASN 23 Ca -0.00 0.15 -0.47 0.00 1.87 0.00 0.00 56.30 57.85 2kdb h ASN 23 Cb 0.41 0.11 0.06 0.00 0.27 0.00 0.00 38.32 39.17 2kdb h ASN 23 CO 0.00 0.03 0.19 0.26 -0.37 0.00 0.00 177.43 177.54 2kdb s TRP 24 N -5.89 3.16 0.73 0.67 0.51 -1.17 -4.91 118.94 112.05 2kdb s TRP 24 Ca -0.12 0.58 -0.11 0.00 -2.12 0.00 0.00 56.10 54.34 2kdb s TRP 24 Cb 0.25 -2.86 0.03 0.00 -0.81 0.00 0.00 33.47 30.08 2kdb s TRP 24 CO 0.78 -0.98 1.07 0.95 -0.51 0.00 0.00 176.95 178.26 2kdb s THR 25 N -3.06 3.70 0.38 2.01 -4.23 -1.26 -2.93 115.64 110.25 2kdb s THR 25 Ca 0.56 0.55 0.07 0.00 -1.18 0.00 0.00 61.69 61.69 2kdb s THR 25 Cb -0.11 -3.24 0.30 0.00 1.34 0.00 0.00 72.50 70.79 2kdb s THR 25 CO 0.45 -0.72 1.97 0.58 -0.54 0.00 0.00 174.62 176.36 2kdb h VAL 26 N -0.88 1.01 -0.15 2.29 2.07 -1.38 -1.59 116.25 117.62 2kdb h VAL 26 Ca -0.44 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 2kdb h VAL 26 Cb 1.23 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2kdb h VAL 26 CO 0.56 0.12 -0.13 1.23 0.02 0.00 0.00 177.57 179.37 2kdb h GLY 27 N 0.67 0.38 1.42 2.17 0.00 -1.78 0.63 103.07 106.55 2kdb h GLY 27 Ca 0.29 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 2kdb h GLY 27 CO -0.09 0.34 -0.19 0.50 0.00 0.00 0.00 176.54 177.10 2kdb h LYS 28 N -0.02 0.68 -0.08 4.80 1.57 -1.78 -1.57 116.57 120.17 2kdb h LYS 28 Ca 0.02 -0.25 -0.18 0.00 -1.87 0.00 0.00 60.65 58.37 2kdb h LYS 28 Cb 0.65 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2kdb h LYS 28 CO 0.03 0.83 -0.71 1.25 -0.57 0.00 0.00 179.45 180.28 2kdb h LEU 29 N 0.61 0.46 -0.99 2.94 7.12 -1.32 -2.20 115.31 121.92 2kdb h LEU 29 Ca 0.09 -0.29 -0.06 0.00 0.13 0.00 0.00 57.88 57.75 2kdb h LEU 29 Cb 0.66 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.63 2kdb h LEU 29 CO 0.05 1.03 0.06 0.50 -0.13 0.00 0.00 178.44 179.95 2kdb h LYS 30 N 0.27 0.80 -0.46 1.25 3.64 -0.58 0.14 116.57 121.62 2kdb h LYS 30 Ca -0.03 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.05 2kdb h LYS 30 Cb 1.28 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2kdb h LYS 30 CO 0.12 0.76 -0.17 1.15 -2.27 0.00 0.00 179.45 179.04 2kdb h THR 31 N 0.76 1.27 -0.94 1.00 2.02 -1.24 -0.58 112.91 115.19 2kdb h THR 31 Ca 0.16 -1.32 0.04 0.00 0.77 0.00 0.00 66.41 66.06 2kdb h THR 31 Cb 0.37 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 2kdb h THR 31 CO 0.01 0.45 0.61 -0.74 0.37 0.00 0.00 175.52 176.22 2kdb h HIS 32 N 0.78 1.15 -0.48 3.16 -0.00 -0.82 -2.08 115.15 116.86 2kdb h HIS 32 Ca 0.11 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 2kdb h HIS 32 Cb 0.74 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 2kdb h HIS 32 CO 0.05 0.65 0.16 -0.07 -0.00 0.00 0.00 177.93 178.72 2kdb h LEU 33 N 1.18 0.70 -2.44 0.26 3.38 -0.50 -1.14 115.31 116.74 2kdb h LEU 33 Ca 0.38 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2kdb h LEU 33 Cb 0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2kdb h LEU 33 CO -0.13 0.72 0.09 -1.28 0.09 0.00 0.00 178.44 177.93 2kdb h SER 34 N 0.65 0.00 0.06 -0.43 0.87 -0.43 0.40 113.55 114.66 2kdb h SER 34 Ca 0.16 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.39 2kdb h SER 34 Cb 0.26 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2kdb h SER 34 CO -0.01 0.00 -1.84 0.59 -0.53 0.00 0.00 176.83 175.04 2kdb n ASN 35 N -3.64 2.00 0.10 6.23 3.02 -0.95 -4.34 115.26 117.67 2kdb n ASN 35 Ca -0.01 0.26 0.12 0.00 -0.03 0.00 0.00 54.58 54.92 2kdb n ASN 35 Cb 0.19 -0.85 0.15 0.00 -0.61 0.00 0.00 39.78 38.66 2kdb n ASN 35 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2kdb h VAL 36 N -0.42 0.00 -3.32 2.41 -1.51 -0.79 -3.46 116.25 109.16 2kdb h VAL 36 Ca -0.44 -0.69 -0.57 0.00 -1.23 0.00 0.00 66.70 63.77 2kdb h VAL 36 Cb 1.72 1.35 -0.07 0.00 -2.13 0.00 0.00 31.29 32.16 2kdb h VAL 36 CO -0.09 0.00 -0.05 -0.47 -1.23 0.00 0.00 177.57 175.73 2kdb s TYR 37 N -3.22 3.58 0.64 5.19 5.04 0.09 -4.98 117.35 123.70 2kdb s TYR 37 Ca 0.05 1.06 0.35 0.00 -2.44 0.00 0.00 57.07 56.09 2kdb s TYR 37 Cb 0.11 -2.62 1.94 0.00 0.35 0.00 0.00 41.96 41.73 2kdb s TYR 37 CO 0.72 0.20 2.14 -1.00 -1.34 0.00 0.00 175.55 176.28 2kdb h PRO 38 N 6.42 0.00 -0.23 4.97 0.13 -1.89 -0.69 132.00 140.71 2kdb h PRO 38 Ca -0.42 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.58 2kdb h PRO 38 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kdb h PRO 38 CO 0.74 0.00 -0.37 1.03 -0.23 0.00 0.00 178.00 179.17 2kdb h SER 39 N 0.00 0.72 -6.07 1.44 0.87 -1.94 -3.49 113.55 105.08 2kdb h SER 39 Ca 0.03 -0.53 -0.29 0.00 -1.23 0.00 0.00 61.79 59.77 2kdb h SER 39 Cb 0.37 -0.21 0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2kdb h SER 39 CO -0.00 1.11 -0.66 0.29 -0.53 0.00 0.00 176.83 177.04 2kdb n LYS 40 N -4.24 -1.38 -2.28 2.24 5.02 -0.27 -5.02 118.16 112.23 2kdb n LYS 40 Ca -0.05 0.93 -0.26 0.00 -2.02 0.00 0.00 58.31 56.91 2kdb n LYS 40 Cb 0.52 -4.16 0.06 0.00 -0.02 0.00 0.00 35.03 31.42 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 -4.57 2.42 -0.25 1.97 0.04 -1.26 -5.02 135.00 128.33 2kdb s PRO 41 Ca 0.16 -0.21 -0.29 0.00 0.04 0.00 0.00 61.00 60.70 2kdb s PRO 41 Cb -0.05 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2kdb s PRO 41 CO 0.83 -1.06 1.37 -0.51 0.04 0.00 0.00 177.00 177.67 2kdb s LEU 42 N -5.15 3.95 0.44 -3.56 1.43 -1.26 -4.75 118.68 109.78 2kdb s LEU 42 Ca 0.58 1.41 0.16 0.00 -1.03 0.00 0.00 54.13 55.25 2kdb s LEU 42 Cb -0.11 -3.54 1.06 0.00 0.03 0.00 0.00 46.19 43.64 2kdb s LEU 42 CO 0.44 -1.05 1.95 0.74 0.23 0.00 0.00 176.35 178.66 2kdb h THR 43 N 5.90 0.83 -0.48 5.49 2.02 -1.93 -1.09 112.91 123.65 2kdb h THR 43 Ca -0.28 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 2kdb h THR 43 Cb 1.11 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2kdb h THR 43 CO 1.01 0.07 0.11 0.07 0.37 0.00 0.00 175.52 177.15 2kdb h LYS 44 N 0.39 0.72 0.00 6.66 2.10 -1.99 -3.15 116.57 121.30 2kdb h LYS 44 Ca 0.33 -0.14 -0.17 0.00 -2.00 0.00 0.00 60.65 58.67 2kdb h LYS 44 Cb 0.74 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.93 2kdb h LYS 44 CO -0.10 0.66 -1.20 -0.44 -2.00 0.00 0.00 179.45 176.37 2kdb h ASP 45 N 0.70 0.00 -3.46 7.07 3.32 -1.62 -3.46 116.42 118.97 2kdb h ASP 45 Ca 0.16 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.68 2kdb h ASP 45 Cb 0.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2kdb h ASP 45 CO -0.00 0.62 0.44 -1.10 -1.72 0.00 0.00 179.24 177.48 2kdb s GLN 46 N -2.89 4.59 0.04 3.56 -1.52 -0.97 -4.99 119.66 117.47 2kdb s GLN 46 Ca -0.01 1.60 0.06 0.00 -1.95 0.00 0.00 55.36 55.05 2kdb s GLN 46 Cb 0.08 -3.35 -0.02 0.00 -0.22 0.00 0.00 33.01 29.50 2kdb s GLN 46 CO 0.80 0.03 -0.16 1.03 -0.25 0.00 0.00 175.29 176.73 2kdb s ARG 47 N 0.28 1.11 -0.43 2.91 3.00 -1.26 -4.98 118.95 119.58 2kdb s ARG 47 Ca 0.51 -0.80 -0.16 0.00 0.00 0.00 0.00 55.73 55.28 2kdb s ARG 47 Cb -0.26 -1.15 0.03 0.00 0.00 0.00 0.00 34.95 33.57 2kdb s ARG 47 CO 0.31 0.29 0.35 -0.51 0.00 0.00 0.00 175.30 175.74 2kdb s LEU 48 N -1.09 5.16 -0.38 2.53 2.01 -1.26 -1.84 118.68 123.81 2kdb s LEU 48 Ca 0.04 -0.94 -0.12 0.00 0.01 0.00 0.00 54.13 53.12 2kdb s LEU 48 Cb -0.08 -2.21 0.02 0.00 0.01 0.00 0.00 46.19 43.93 2kdb s LEU 48 CO 0.01 -0.52 0.23 -0.69 1.01 0.00 0.00 176.35 176.40 2kdb s VAL 49 N 1.77 4.80 -0.38 -1.59 1.01 -0.37 -0.83 120.40 124.81 2kdb s VAL 49 Ca 0.06 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 2kdb s VAL 49 Cb -0.20 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.59 2kdb s VAL 49 CO 0.10 -0.23 0.20 -0.47 0.00 0.00 0.00 175.10 174.69 2kdb s TYR 50 N 1.60 3.31 -1.57 5.22 5.04 -0.03 -0.98 117.35 129.94 2kdb s TYR 50 Ca 0.03 -1.48 -0.01 0.00 -2.44 0.00 0.00 57.07 53.17 2kdb s TYR 50 Cb -0.19 -2.67 0.00 0.00 0.35 0.00 0.00 41.96 39.45 2kdb s TYR 50 CO 0.08 -0.79 0.12 0.43 -1.34 0.00 0.00 175.55 174.05 2kdb n SER 51 N 4.87 -5.45 0.00 4.32 7.64 -1.26 -1.57 113.62 122.17 2kdb n SER 51 Ca -0.11 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2kdb n SER 51 Cb 0.44 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 59.12 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 -1.07 2.23 3.84 0.23 0.00 -1.26 -5.08 105.19 104.08 2kdb n GLY 52 Ca -0.19 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 4.08 -0.20 1.61 1.70 -0.61 -5.04 118.95 120.50 2kdb s ARG 53 Ca 0.00 0.79 -0.16 0.00 -0.47 0.00 0.00 55.73 55.89 2kdb s ARG 53 Cb 0.00 -2.43 -0.04 0.00 -0.57 0.00 0.00 34.95 31.91 2kdb s ARG 53 CO 0.00 0.15 0.39 -1.17 -1.08 0.00 0.00 175.30 173.59 2kdb s LEU 54 N -2.90 4.16 -0.56 -1.89 1.98 -1.26 -0.85 118.68 117.36 2kdb s LEU 54 Ca 0.54 0.52 -0.17 0.00 -2.89 0.00 0.00 54.13 52.13 2kdb s LEU 54 Cb -0.11 -2.50 0.11 0.00 0.66 0.00 0.00 46.19 44.35 2kdb s LEU 54 CO 0.17 -0.06 0.58 -0.76 -1.89 0.00 0.00 176.35 174.39 2kdb s LEU 55 N 1.23 5.79 0.57 -0.68 1.43 -0.01 -4.99 118.68 122.02 2kdb s LEU 55 Ca 0.19 -1.59 -0.16 0.00 -1.03 0.00 0.00 54.13 51.54 2kdb s LEU 55 Cb -0.15 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 2kdb s LEU 55 CO 0.08 -0.96 1.04 -2.16 0.23 0.00 0.00 176.35 174.58 2kdb s PRO 56 N 2.09 3.51 0.53 1.29 0.04 -1.26 -4.12 135.00 137.08 2kdb s PRO 56 Ca 0.07 1.16 0.35 0.00 0.04 0.00 0.00 61.00 62.61 2kdb s PRO 56 Cb -0.27 -2.06 1.61 0.00 0.04 0.00 0.00 34.50 33.82 2kdb s PRO 56 CO 0.05 -0.65 2.04 0.38 0.04 0.00 0.00 177.00 178.86 2kdb h ASP 57 N 0.64 0.00 -0.15 6.66 3.04 -1.98 -3.12 116.42 121.51 2kdb h ASP 57 Ca -0.47 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.12 2kdb h ASP 57 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 2kdb h ASP 57 CO 0.58 0.00 -0.68 1.12 -2.04 0.00 0.00 179.24 178.23 2kdb h HIS 58 N 0.00 1.01 -3.47 4.15 2.07 -1.97 -2.94 115.15 114.01 2kdb h HIS 58 Ca 0.00 -0.41 -0.48 0.00 -2.85 0.00 0.00 60.37 56.62 2kdb h HIS 58 Cb 0.32 -0.17 0.04 0.00 2.57 0.00 0.00 27.41 30.17 2kdb h HIS 58 CO 0.00 1.23 0.09 -0.48 -3.07 0.00 0.00 177.93 175.70 2kdb s LEU 59 N -8.47 3.57 0.17 6.12 0.05 -1.18 -4.86 118.68 114.07 2kdb s LEU 59 Ca -0.10 0.80 -0.19 0.00 0.05 0.00 0.00 54.13 54.69 2kdb s LEU 59 Cb 0.09 -3.71 -0.08 0.00 -2.05 0.00 0.00 46.19 40.45 2kdb s LEU 59 CO 0.89 -0.68 0.65 -1.10 -0.55 0.00 0.00 176.35 175.57 2kdb s GLN 60 N -4.75 4.20 0.46 1.48 1.11 -1.26 -1.62 119.66 119.28 2kdb s GLN 60 Ca 0.48 0.78 0.18 0.00 0.01 0.00 0.00 55.36 56.81 2kdb s GLN 60 Cb -0.10 -3.00 1.14 0.00 -1.01 0.00 0.00 33.01 30.03 2kdb s GLN 60 CO 0.44 0.48 1.95 -0.07 0.01 0.00 0.00 175.29 178.11 2kdb h LEU 61 N 3.77 0.28 -0.71 2.90 3.38 -1.58 -2.68 115.31 120.68 2kdb h LEU 61 Ca -0.48 0.01 0.14 0.00 0.09 0.00 0.00 57.88 57.64 2kdb h LEU 61 Cb 1.20 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.81 2kdb h LEU 61 CO 0.65 0.15 0.22 0.07 0.09 0.00 0.00 178.44 179.62 2kdb h LYS 62 N 0.31 0.33 -0.79 1.13 5.09 -1.66 -0.41 116.57 120.56 2kdb h LYS 62 Ca 0.32 -0.02 0.17 0.00 0.09 0.00 0.00 60.65 61.21 2kdb h LYS 62 Cb 0.82 -0.07 -0.05 0.00 0.10 0.00 0.00 32.23 33.02 2kdb h LYS 62 CO -0.08 0.22 0.53 0.22 -2.09 0.00 0.00 179.45 178.25 2kdb h ASP 63 N 0.34 0.34 0.00 7.07 3.58 -1.78 0.07 116.42 126.04 2kdb h ASP 63 Ca 0.39 0.02 -0.39 0.00 0.42 0.00 0.00 57.03 57.47 2kdb h ASP 63 Cb 0.62 -0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.56 2kdb h ASP 63 CO -0.44 0.16 -2.47 -0.38 -2.88 0.00 0.00 179.24 173.23 2kdb n ILE 64 N -4.46 1.50 0.47 2.25 -0.00 -0.98 -4.63 119.36 113.49 2kdb n ILE 64 Ca 0.16 -0.56 0.11 0.00 -0.00 0.00 0.00 62.75 62.46 2kdb n ILE 64 Cb 0.62 -1.45 0.26 0.00 -0.00 0.00 0.00 39.64 39.07 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 -3.31 3.07 0.13 1.39 4.77 -0.20 -4.04 117.00 118.82 2kdb n LEU 65 Ca -0.46 -1.35 0.12 0.00 -0.03 0.00 0.00 56.01 54.29 2kdb n LEU 65 Cb 0.99 -0.24 0.50 0.00 -2.33 0.00 0.00 43.42 42.33 2kdb n LEU 65 CO 0.25 0.67 0.85 -2.11 -1.33 0.00 0.00 177.39 175.72 2kdb n ARG 66 N 1.23 0.18 0.03 3.23 -4.01 -0.07 -2.07 116.66 115.19 2kdb n ARG 66 Ca 0.19 0.45 -0.02 0.00 -1.04 0.00 0.00 57.85 57.43 2kdb n ARG 66 Cb 0.54 -1.88 -0.01 0.00 -3.04 0.00 0.00 32.46 28.07 2kdb n ARG 66 CO 0.00 0.00 0.00 0.87 -3.04 0.00 0.00 177.63 175.46 2kdb h LYS 67 N 0.00 -0.10 0.09 2.89 1.57 -1.86 -3.26 116.57 115.91 2kdb h LYS 67 Ca 0.00 0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.53 2kdb h LYS 67 Cb 0.31 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2kdb h LYS 67 CO 0.00 -0.06 -1.15 1.96 -0.57 0.00 0.00 179.45 179.63 2kdb h GLN 68 N -0.10 0.29 0.00 3.15 1.08 -1.81 -3.48 115.11 114.24 2kdb h GLN 68 Ca -0.01 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 2kdb h GLN 68 Cb 0.09 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2kdb h GLN 68 CO -0.00 1.17 0.00 -3.47 -0.95 0.00 0.00 178.83 175.58 2kdb n ASP 69 N -3.58 0.00 -0.23 1.46 2.03 -0.88 -4.37 116.55 110.98 2kdb n ASP 69 Ca -0.08 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.26 2kdb n ASP 69 Cb 0.97 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 41.63 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 -3.44 -0.67 4.57 -1.92 -3.44 114.58 110.61 2kdb h GLU 70 Ca 0.00 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 2kdb h GLU 70 Cb 0.00 -0.21 -0.18 0.00 -0.16 0.00 0.00 28.75 28.20 2kdb h GLU 70 CO 0.00 0.62 -0.37 1.52 -1.18 0.00 0.00 179.01 179.60 2kdb s TYR 71 N -5.82 -0.00 -0.29 0.92 1.13 -1.26 -1.33 117.35 110.70 2kdb s TYR 71 Ca -0.11 -0.15 -0.21 0.00 -1.41 0.00 0.00 57.07 55.19 2kdb s TYR 71 Cb 0.19 0.00 0.14 0.00 -1.10 0.00 0.00 41.96 41.19 2kdb s TYR 71 CO 0.78 -0.42 1.05 -1.01 -2.51 0.00 0.00 175.55 173.45 2kdb s HIS 72 N -2.24 -0.47 -0.24 -3.49 3.76 -0.53 -4.60 115.29 107.49 2kdb s HIS 72 Ca -0.08 1.04 -0.14 0.00 -0.15 0.00 0.00 55.06 55.74 2kdb s HIS 72 Cb -0.02 0.36 -0.04 0.00 1.11 0.00 0.00 32.58 33.98 2kdb s HIS 72 CO -0.02 -0.23 0.31 0.00 -0.85 0.00 0.00 174.74 173.95 2kdb s MET 73 N 0.67 4.08 -0.04 1.40 0.23 -1.26 -1.07 119.30 123.31 2kdb s MET 73 Ca -0.01 -0.01 0.03 0.00 -1.03 0.00 0.00 55.69 54.67 2kdb s MET 73 Cb -0.04 -3.58 0.00 0.00 -1.53 0.00 0.00 34.83 29.67 2kdb s MET 73 CO -0.11 -0.09 -0.13 0.08 -2.03 0.00 0.00 175.02 172.74 2kdb s VAL 74 N 1.51 1.13 -0.34 5.16 1.01 -0.28 -4.61 120.40 123.97 2kdb s VAL 74 Ca 0.14 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 2kdb s VAL 74 Cb -0.15 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2kdb s VAL 74 CO 0.08 0.33 0.81 -1.00 0.00 0.00 0.00 175.10 175.32 2kdb s HIS 75 N 0.12 3.14 -0.65 5.22 3.76 -0.15 -2.36 115.29 124.37 2kdb s HIS 75 Ca -0.04 0.69 -0.23 0.00 -0.15 0.00 0.00 55.06 55.33 2kdb s HIS 75 Cb -0.10 -3.38 0.07 0.00 1.11 0.00 0.00 32.58 30.27 2kdb s HIS 75 CO 0.01 -0.69 0.98 -1.17 -0.85 0.00 0.00 174.74 173.02 2kdb s LEU 76 N 3.11 4.29 0.00 0.89 2.96 -0.43 -1.23 118.68 128.27 2kdb s LEU 76 Ca 0.33 -0.91 0.27 0.00 -0.22 0.00 0.00 54.13 53.60 2kdb s LEU 76 Cb -0.13 -2.46 0.89 0.00 0.50 0.00 0.00 46.19 44.99 2kdb s LEU 76 CO 0.16 -1.45 1.66 1.33 -1.32 0.00 0.00 176.35 176.73