#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 4.88 -0.80 -1.45 1.01 -0.26 -4.82 120.40 118.96 2kdb s VAL 2 Ca 0.00 1.40 -0.26 0.00 0.00 0.00 0.00 61.98 63.12 2kdb s VAL 2 Cb 0.00 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.41 2kdb s VAL 2 CO 0.00 0.37 1.35 -0.89 0.00 0.00 0.00 175.10 175.93 2kdb s THR 3 N 0.05 3.75 -0.54 3.92 2.01 -0.97 -1.62 115.64 122.25 2kdb s THR 3 Ca 0.34 0.12 -0.14 0.00 0.31 0.00 0.00 61.69 62.33 2kdb s THR 3 Cb -0.19 -4.90 0.13 0.00 0.01 0.00 0.00 72.50 67.55 2kdb s THR 3 CO 0.19 -1.83 0.47 -0.22 -0.69 0.00 0.00 174.62 172.54 2kdb s LEU 4 N 5.75 6.06 -0.83 4.42 2.96 -0.43 -1.68 118.68 134.92 2kdb s LEU 4 Ca 0.39 -1.89 -0.24 0.00 -0.22 0.00 0.00 54.13 52.18 2kdb s LEU 4 Cb -0.06 -2.15 0.06 0.00 0.50 0.00 0.00 46.19 44.54 2kdb s LEU 4 CO 0.09 -0.79 1.23 -0.63 -1.32 0.00 0.00 176.35 174.94 2kdb s ILE 5 N 1.43 4.06 -0.62 6.68 1.01 0.19 -1.42 121.20 132.54 2kdb s ILE 5 Ca 0.05 -0.40 -0.24 0.00 0.00 0.00 0.00 60.65 60.06 2kdb s ILE 5 Cb -0.28 -4.89 0.05 0.00 0.01 0.00 0.00 42.46 37.36 2kdb s ILE 5 CO 0.01 -1.74 1.00 -0.63 0.00 0.00 0.00 174.94 173.58 2kdb s ILE 6 N 4.69 4.27 -0.04 2.92 -1.09 0.48 -0.74 121.20 131.68 2kdb s ILE 6 Ca 0.35 0.02 -0.13 0.00 -2.23 0.00 0.00 60.65 58.66 2kdb s ILE 6 Cb -0.07 -4.66 -0.05 0.00 -1.58 0.00 0.00 42.46 36.10 2kdb s ILE 6 CO 0.03 -1.37 0.34 -0.54 -1.23 0.00 0.00 174.94 172.17 2kdb s LYS 7 N 4.25 3.83 0.76 2.79 1.02 -0.32 -1.57 119.74 130.50 2kdb s LYS 7 Ca 0.27 0.26 -0.12 0.00 0.02 0.00 0.00 55.97 56.40 2kdb s LYS 7 Cb -0.14 -3.23 0.06 0.00 -0.52 0.00 0.00 37.83 33.99 2kdb s LYS 7 CO 0.15 0.67 1.12 0.00 -0.92 0.00 0.00 175.35 176.36 2kdb s ALA 8 N -0.91 2.16 0.17 5.17 0.00 -1.24 -1.19 121.76 125.92 2kdb s ALA 8 Ca 0.21 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.35 2kdb s ALA 8 Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2kdb s ALA 8 CO 0.10 -1.83 1.55 -1.35 0.00 0.00 0.00 175.76 174.23 2kdb h PRO 9 N -0.87 -0.06 -0.65 0.00 0.11 -1.90 -1.25 132.00 127.38 2kdb h PRO 9 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2kdb h PRO 9 Cb 1.25 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2kdb h PRO 9 CO 0.50 -0.04 0.00 0.09 -0.21 0.00 0.00 178.00 178.34 2kdb n ASN 10 N -5.31 5.00 -3.79 -2.05 4.13 -1.26 -4.90 115.26 107.08 2kdb n ASN 10 Ca 0.03 -2.54 -0.27 0.00 1.68 0.00 0.00 54.58 53.47 2kdb n ASN 10 Cb 0.30 -0.61 0.04 0.00 -1.54 0.00 0.00 39.78 37.98 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 1.06 -6.22 0.00 3.52 7.27 -0.47 -4.93 117.38 117.61 2kdb n GLN 11 Ca 0.27 0.67 -0.11 0.00 0.07 0.00 0.00 57.00 57.90 2kdb n GLN 11 Cb 0.96 -5.59 -0.05 0.00 2.41 0.00 0.00 30.24 27.97 2kdb n GLN 11 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2kdb h LYS 12 N -2.25 0.07 -6.03 3.69 1.63 -1.91 -3.40 116.57 108.37 2kdb h LYS 12 Ca -0.58 -0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 58.63 2kdb h LYS 12 Cb 1.37 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.95 2kdb h LYS 12 CO 0.63 0.05 -0.43 0.71 -3.45 0.00 0.00 179.45 176.95 2kdb s TYR 13 N -6.19 3.50 0.93 1.91 1.51 -1.26 -5.07 117.35 112.68 2kdb s TYR 13 Ca -0.13 0.30 -0.16 0.00 -1.01 0.00 0.00 57.07 56.08 2kdb s TYR 13 Cb 0.07 -1.81 0.23 0.00 -0.11 0.00 0.00 41.96 40.35 2kdb s TYR 13 CO 0.67 0.51 0.79 0.43 -1.11 0.00 0.00 175.55 176.85 2kdb n SER 14 N -0.05 -2.00 -4.59 2.29 7.64 -1.26 -3.64 113.62 112.01 2kdb n SER 14 Ca -0.05 -0.96 -0.42 0.00 1.01 0.00 0.00 58.87 58.46 2kdb n SER 14 Cb 0.52 -0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 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 -3.60 5.47 -0.49 6.43 -4.77 -1.26 -4.41 116.67 114.04 2kdb s ASP 15 Ca 0.52 1.42 -0.21 0.00 -3.30 0.00 0.00 52.55 50.98 2kdb s ASP 15 Cb -0.06 -2.52 0.04 0.00 -1.09 0.00 0.00 42.92 39.30 2kdb s ASP 15 CO 0.40 -2.02 0.74 -1.58 0.70 0.00 0.00 175.17 173.41 2kdb s GLN 16 N 6.39 3.26 -0.91 2.11 2.00 -0.61 -4.90 119.66 127.01 2kdb s GLN 16 Ca 0.89 -0.46 -0.24 0.00 -2.00 0.00 0.00 55.36 53.55 2kdb s GLN 16 Cb -0.25 -4.02 0.06 0.00 0.80 0.00 0.00 33.01 29.59 2kdb s GLN 16 CO 0.32 -1.22 1.33 0.95 -0.50 0.00 0.00 175.29 176.18 2kdb s THR 17 N 3.13 3.99 -0.60 -0.34 -4.23 -1.26 -0.38 115.64 115.95 2kdb s THR 17 Ca 0.23 -0.52 -0.23 0.00 -1.18 0.00 0.00 61.69 59.99 2kdb s THR 17 Cb -0.15 -4.96 0.05 0.00 1.34 0.00 0.00 72.50 68.78 2kdb s THR 17 CO 0.17 -1.83 0.95 -0.63 -0.54 0.00 0.00 174.62 172.74 2kdb s ILE 18 N 4.84 4.36 -0.68 2.99 -1.09 -0.51 -4.87 121.20 126.24 2kdb s ILE 18 Ca 0.40 0.00 -0.26 0.00 -2.23 0.00 0.00 60.65 58.56 2kdb s ILE 18 Cb -0.04 -4.60 -0.01 0.00 -1.58 0.00 0.00 42.46 36.24 2kdb s ILE 18 CO -0.02 -1.26 1.71 -0.94 -1.23 0.00 0.00 174.94 173.20 2kdb s SER 19 N 3.19 5.52 0.16 3.58 1.04 -1.26 -1.32 113.70 124.61 2kdb s SER 19 Ca 0.27 -0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.63 2kdb s SER 19 Cb -0.14 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 2kdb s SER 19 CO 0.15 -2.24 0.18 0.00 0.98 0.00 0.00 173.24 172.31 2kdb s PHE 21 N -4.02 3.60 -1.34 0.00 0.40 -1.26 -1.10 117.98 114.26 2kdb s PHE 21 Ca 0.22 0.66 0.21 0.00 -0.60 0.00 0.00 56.93 57.42 2kdb s PHE 21 Cb 0.05 -2.05 1.01 0.00 0.51 0.00 0.00 43.02 42.54 2kdb s PHE 21 CO 0.02 0.61 1.66 1.28 0.70 0.00 0.00 175.22 179.48 2kdb n LEU 22 N 1.22 0.00 -0.17 -0.37 4.77 -1.26 -3.66 117.00 117.53 2kdb n LEU 22 Ca -0.12 0.33 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 2kdb n LEU 22 Cb 0.53 -0.33 0.07 0.00 -2.33 0.00 0.00 43.42 41.36 2kdb n LEU 22 CO 0.40 -0.10 0.84 -1.13 -1.33 0.00 0.00 177.39 176.07 2kdb h ASN 23 N 0.00 -0.23 -4.29 -1.43 -1.24 -1.98 -3.01 115.58 103.40 2kdb h ASN 23 Ca 0.00 0.13 -0.47 0.00 0.71 0.00 0.00 56.30 56.67 2kdb h ASN 23 Cb 0.23 0.23 0.12 0.00 0.73 0.00 0.00 38.32 39.62 2kdb h ASN 23 CO 0.00 -0.08 0.32 0.26 -1.29 0.00 0.00 177.43 176.64 2kdb s TRP 24 N -6.16 2.69 0.76 0.67 0.51 -1.24 -4.81 118.94 111.35 2kdb s TRP 24 Ca -0.13 0.97 -0.08 0.00 -2.12 0.00 0.00 56.10 54.73 2kdb s TRP 24 Cb 0.17 -3.28 0.09 0.00 -0.81 0.00 0.00 33.47 29.64 2kdb s TRP 24 CO 0.73 -2.07 1.09 0.95 -0.51 0.00 0.00 176.95 177.14 2kdb s THR 25 N -3.25 2.17 0.41 2.01 -4.23 -1.26 -2.15 115.64 109.34 2kdb s THR 25 Ca 0.62 -0.22 0.08 0.00 -1.18 0.00 0.00 61.69 60.99 2kdb s THR 25 Cb -0.14 -2.95 0.27 0.00 1.34 0.00 0.00 72.50 71.01 2kdb s THR 25 CO 0.53 0.00 2.06 0.58 -0.54 0.00 0.00 174.62 177.25 2kdb h VAL 26 N -0.83 1.09 0.01 2.29 2.07 -1.63 -2.08 116.25 117.17 2kdb h VAL 26 Ca -0.44 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2kdb h VAL 26 Cb 1.30 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2kdb h VAL 26 CO 0.55 0.10 -0.00 1.23 0.02 0.00 0.00 177.57 179.47 2kdb h GLY 27 N 0.54 -0.01 1.49 2.17 0.00 -1.83 -0.12 103.07 105.31 2kdb h GLY 27 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 2kdb h GLY 27 CO -0.04 -0.00 -0.15 0.50 0.00 0.00 0.00 176.54 176.86 2kdb h LYS 28 N -0.24 0.61 -0.33 4.80 6.56 -1.82 -1.39 116.57 124.76 2kdb h LYS 28 Ca -0.00 -0.20 -0.18 0.00 -1.06 0.00 0.00 60.65 59.21 2kdb h LYS 28 Cb 0.24 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 31.84 2kdb h LYS 28 CO 0.00 0.74 -0.48 1.25 -2.06 0.00 0.00 179.45 178.89 2kdb h LEU 29 N 0.55 0.99 -0.79 2.94 7.12 -1.37 -1.88 115.31 122.87 2kdb h LEU 29 Ca 0.09 -0.51 -0.12 0.00 0.13 0.00 0.00 57.88 57.48 2kdb h LEU 29 Cb 0.57 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 2kdb h LEU 29 CO 0.04 1.31 -0.38 0.50 -0.13 0.00 0.00 178.44 179.77 2kdb h LYS 30 N 0.71 0.45 -0.21 1.25 3.64 -0.77 0.19 116.57 121.84 2kdb h LYS 30 Ca 0.03 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 2kdb h LYS 30 Cb 1.09 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2kdb h LYS 30 CO 0.11 0.77 0.11 1.15 -2.27 0.00 0.00 179.45 179.32 2kdb h THR 31 N 0.38 1.12 -0.69 1.00 2.02 -1.25 -1.25 112.91 114.23 2kdb h THR 31 Ca 0.04 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 66.93 2kdb h THR 31 Cb 0.84 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 2kdb h THR 31 CO 0.07 0.11 0.46 -0.74 0.37 0.00 0.00 175.52 175.79 2kdb h HIS 32 N 0.22 0.78 -0.10 3.16 -0.00 -0.79 -2.12 115.15 116.29 2kdb h HIS 32 Ca 0.07 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.42 2kdb h HIS 32 Cb 0.09 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.24 2kdb h HIS 32 CO -0.03 0.44 -0.11 -0.07 -0.00 0.00 0.00 177.93 178.16 2kdb h LEU 33 N 0.80 0.27 -2.10 0.26 3.38 -0.45 -0.72 115.31 116.75 2kdb h LEU 33 Ca 0.28 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2kdb h LEU 33 Cb 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kdb h LEU 33 CO -0.08 0.72 0.00 0.28 0.09 0.00 0.00 178.44 179.44 2kdb h SER 34 N -0.17 0.00 0.00 -0.43 0.02 -0.77 0.22 113.55 112.42 2kdb h SER 34 Ca 0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 2kdb h SER 34 Cb 0.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2kdb h SER 34 CO 0.03 0.00 -0.54 0.78 -1.14 0.00 0.00 176.83 175.96 2kdb h ASN 35 N 0.00 0.00 0.26 3.07 2.35 -1.24 -3.41 115.58 116.61 2kdb h ASN 35 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2kdb h ASN 35 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2kdb h ASN 35 CO 0.00 0.90 -0.16 1.33 -1.65 0.00 0.00 177.43 177.84 2kdb n VAL 36 N -4.61 0.00 -3.56 2.81 0.24 -0.29 -4.76 118.33 108.16 2kdb n VAL 36 Ca -0.12 -0.11 -0.37 0.00 -2.04 0.00 0.00 64.34 61.71 2kdb n VAL 36 Cb 0.33 0.17 -0.08 0.00 -1.47 0.00 0.00 33.84 32.79 2kdb n VAL 36 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2kdb s TYR 37 N -2.43 3.40 0.09 6.34 5.04 0.71 -5.00 117.35 125.50 2kdb s TYR 37 Ca 0.28 0.48 0.33 0.00 -2.44 0.00 0.00 57.07 55.72 2kdb s TYR 37 Cb 0.20 -2.34 1.53 0.00 0.35 0.00 0.00 41.96 41.70 2kdb s TYR 37 CO 0.48 0.16 1.99 -1.00 -1.34 0.00 0.00 175.55 175.84 2kdb h PRO 38 N 7.00 0.00 0.02 4.97 0.13 -1.88 -0.39 132.00 141.85 2kdb h PRO 38 Ca -0.39 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.53 2kdb h PRO 38 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2kdb h PRO 38 CO 0.73 0.00 -0.94 1.03 -0.23 0.00 0.00 178.00 178.59 2kdb h SER 39 N 0.00 0.19 -5.81 1.44 0.87 -1.95 -3.49 113.55 104.80 2kdb h SER 39 Ca 0.00 -0.17 -0.16 0.00 -1.23 0.00 0.00 61.79 60.24 2kdb h SER 39 Cb 0.31 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2kdb h SER 39 CO 0.00 1.02 -0.36 0.29 -0.53 0.00 0.00 176.83 177.26 2kdb n LYS 40 N -3.57 -1.39 -2.18 2.24 5.02 -0.16 -4.98 118.16 113.13 2kdb n LYS 40 Ca -0.03 1.25 -0.32 0.00 -2.02 0.00 0.00 58.31 57.20 2kdb n LYS 40 Cb 0.86 -4.68 -0.01 0.00 -0.02 0.00 0.00 35.03 31.18 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 -3.64 3.75 -0.42 1.97 0.04 -1.26 -4.95 135.00 130.48 2kdb s PRO 41 Ca 0.01 0.92 -0.27 0.00 0.04 0.00 0.00 61.00 61.70 2kdb s PRO 41 Cb -0.00 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 2kdb s PRO 41 CO 0.80 -0.44 2.30 -0.51 0.04 0.00 0.00 177.00 179.19 2kdb s LEU 42 N -4.49 3.41 0.45 -3.56 1.43 -1.26 -4.74 118.68 109.92 2kdb s LEU 42 Ca 0.58 1.24 0.18 0.00 -1.03 0.00 0.00 54.13 55.10 2kdb s LEU 42 Cb -0.11 -2.80 1.12 0.00 0.03 0.00 0.00 46.19 44.44 2kdb s LEU 42 CO 0.39 -2.58 1.94 0.74 0.23 0.00 0.00 176.35 177.08 2kdb h THR 43 N 7.47 0.79 -0.36 5.49 2.02 -1.91 0.12 112.91 126.54 2kdb h THR 43 Ca -0.29 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.70 2kdb h THR 43 Cb 1.25 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 2kdb h THR 43 CO 1.11 0.06 -0.11 0.07 0.37 0.00 0.00 175.52 177.01 2kdb h LYS 44 N 0.33 0.62 0.09 6.66 2.10 -1.99 -3.29 116.57 121.09 2kdb h LYS 44 Ca 0.34 -0.19 -0.37 0.00 -2.00 0.00 0.00 60.65 58.43 2kdb h LYS 44 Cb 0.86 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.10 2kdb h LYS 44 CO -0.09 0.72 -2.10 -0.25 -2.00 0.00 0.00 179.45 175.73 2kdb n ASP 45 N -4.18 2.03 -4.76 7.07 8.00 -0.49 -4.96 116.55 119.25 2kdb n ASP 45 Ca 0.01 0.13 -0.40 0.00 0.71 0.00 0.00 54.79 55.24 2kdb n ASP 45 Cb 0.34 -0.71 -0.04 0.00 -0.02 0.00 0.00 41.12 40.69 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 -2.55 4.57 0.16 -1.24 -1.52 -0.09 -4.99 119.66 114.00 2kdb s GLN 46 Ca -0.24 1.90 0.00 0.00 -1.95 0.00 0.00 55.36 55.07 2kdb s GLN 46 Cb 0.07 -3.17 -0.04 0.00 -0.22 0.00 0.00 33.01 29.65 2kdb s GLN 46 CO 0.73 0.11 0.03 1.03 -0.25 0.00 0.00 175.29 176.95 2kdb s ARG 47 N -1.46 1.05 -0.21 2.91 0.52 -1.26 -4.86 118.95 115.64 2kdb s ARG 47 Ca 0.46 -1.51 -0.05 0.00 -0.52 0.00 0.00 55.73 54.11 2kdb s ARG 47 Cb -0.34 -0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.08 2kdb s ARG 47 CO 0.43 -0.20 0.01 -0.51 0.02 0.00 0.00 175.30 175.05 2kdb s LEU 48 N -3.13 3.28 -0.25 2.53 1.43 -1.26 -2.14 118.68 119.14 2kdb s LEU 48 Ca 0.25 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2kdb s LEU 48 Cb 0.07 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.45 2kdb s LEU 48 CO 0.04 0.04 -0.01 -0.69 0.23 0.00 0.00 176.35 175.96 2kdb s VAL 49 N 1.14 3.44 -0.43 -1.59 1.01 -0.28 -0.91 120.40 122.77 2kdb s VAL 49 Ca 0.03 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 2kdb s VAL 49 Cb -0.14 -2.69 0.08 0.00 0.00 0.00 0.00 36.38 33.63 2kdb s VAL 49 CO 0.02 0.24 0.28 -0.47 0.00 0.00 0.00 175.10 175.16 2kdb s TYR 50 N 1.44 3.34 -1.87 5.22 5.04 0.09 -0.69 117.35 129.94 2kdb s TYR 50 Ca 0.03 -1.54 0.00 0.00 -2.44 0.00 0.00 57.07 53.12 2kdb s TYR 50 Cb -0.16 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.12 2kdb s TYR 50 CO -0.02 -0.86 0.00 0.43 -1.34 0.00 0.00 175.55 173.76 2kdb n SER 51 N 4.93 -5.59 0.00 4.32 7.64 -1.26 -2.15 113.62 121.51 2kdb n SER 51 Ca -0.10 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2kdb n SER 51 Cb 0.43 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.87 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 -0.78 1.93 3.92 0.23 0.00 -1.26 -5.12 105.19 104.12 2kdb n GLY 52 Ca -0.23 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 3.30 -0.19 1.61 1.70 -0.92 -5.06 118.95 119.40 2kdb s ARG 53 Ca 0.00 -0.08 -0.11 0.00 -0.47 0.00 0.00 55.73 55.07 2kdb s ARG 53 Cb 0.00 -2.44 -0.05 0.00 -0.57 0.00 0.00 34.95 31.89 2kdb s ARG 53 CO 0.00 -0.26 0.16 -1.17 -1.08 0.00 0.00 175.30 172.95 2kdb s LEU 54 N -4.68 4.22 -0.51 -1.89 1.98 -1.26 -0.73 118.68 115.81 2kdb s LEU 54 Ca 0.48 0.30 -0.18 0.00 -2.89 0.00 0.00 54.13 51.83 2kdb s LEU 54 Cb -0.10 -2.15 0.06 0.00 0.66 0.00 0.00 46.19 44.66 2kdb s LEU 54 CO 0.42 0.17 0.59 -0.76 -1.89 0.00 0.00 176.35 174.88 2kdb s LEU 55 N 0.34 5.12 0.52 -0.68 1.43 -0.09 -4.95 118.68 120.37 2kdb s LEU 55 Ca 0.10 -1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 51.99 2kdb s LEU 55 Cb -0.11 -2.39 -0.07 0.00 0.03 0.00 0.00 46.19 43.65 2kdb s LEU 55 CO -0.01 -0.86 1.04 -2.16 0.23 0.00 0.00 176.35 174.59 2kdb s PRO 56 N 2.45 3.65 0.14 1.29 0.04 -1.26 -4.33 135.00 136.97 2kdb s PRO 56 Ca 0.13 1.27 0.21 0.00 0.04 0.00 0.00 61.00 62.65 2kdb s PRO 56 Cb -0.20 -2.08 0.86 0.00 0.04 0.00 0.00 34.50 33.12 2kdb s PRO 56 CO 0.11 -0.54 1.65 -0.40 0.04 0.00 0.00 177.00 177.85 2kdb n ASP 57 N -1.38 0.39 0.08 6.66 5.75 -1.26 -3.38 116.55 123.41 2kdb n ASP 57 Ca 0.09 0.58 -0.12 0.00 -0.01 0.00 0.00 54.79 55.33 2kdb n ASP 57 Cb 0.53 -0.67 -0.06 0.00 -1.03 0.00 0.00 41.12 39.89 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 0.46 -3.17 2.11 2.07 -1.97 -3.14 115.15 111.51 2kdb h HIS 58 Ca 0.00 -0.27 -0.51 0.00 -2.85 0.00 0.00 60.37 56.74 2kdb h HIS 58 Cb 0.38 -0.04 -0.00 0.00 2.57 0.00 0.00 27.41 30.31 2kdb h HIS 58 CO 0.00 1.12 -0.13 -0.48 -3.07 0.00 0.00 177.93 175.37 2kdb s LEU 59 N -7.45 4.01 0.28 6.12 0.05 -1.22 -4.94 118.68 115.54 2kdb s LEU 59 Ca -0.04 0.69 -0.25 0.00 0.05 0.00 0.00 54.13 54.58 2kdb s LEU 59 Cb 0.09 -3.52 -0.09 0.00 -2.05 0.00 0.00 46.19 40.61 2kdb s LEU 59 CO 0.86 -0.25 0.88 -1.10 -0.55 0.00 0.00 176.35 176.19 2kdb s GLN 60 N -3.78 4.53 0.25 1.48 1.11 -1.26 -2.58 119.66 119.41 2kdb s GLN 60 Ca 0.44 1.22 -0.04 0.00 0.01 0.00 0.00 55.36 56.99 2kdb s GLN 60 Cb -0.10 -2.91 0.47 0.00 -1.01 0.00 0.00 33.01 29.46 2kdb s GLN 60 CO 0.32 0.36 1.71 -0.07 0.01 0.00 0.00 175.29 177.62 2kdb h LEU 61 N 3.43 0.17 -0.91 2.90 3.38 -1.49 -2.74 115.31 120.04 2kdb h LEU 61 Ca -0.47 0.13 0.20 0.00 0.09 0.00 0.00 57.88 57.83 2kdb h LEU 61 Cb 1.19 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.91 2kdb h LEU 61 CO 0.65 0.04 -0.13 0.07 0.09 0.00 0.00 178.44 179.16 2kdb h LYS 62 N 0.36 0.02 -0.94 1.13 2.10 -1.79 -1.04 116.57 116.41 2kdb h LYS 62 Ca 0.42 -0.00 0.16 0.00 -2.00 0.00 0.00 60.65 59.23 2kdb h LYS 62 Cb 0.68 -0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.93 2kdb h LYS 62 CO -0.45 0.01 0.60 0.22 -2.00 0.00 0.00 179.45 177.83 2kdb h ASP 63 N 0.02 0.69 0.21 7.07 3.58 -1.82 0.23 116.42 126.40 2kdb h ASP 63 Ca 0.48 0.06 -0.35 0.00 0.42 0.00 0.00 57.03 57.64 2kdb h ASP 63 Cb 0.82 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.75 2kdb h ASP 63 CO -0.90 0.32 -2.03 -0.38 -2.88 0.00 0.00 179.24 173.37 2kdb n ILE 64 N -4.61 1.63 -1.00 2.25 -0.00 -0.82 -4.42 119.36 112.40 2kdb n ILE 64 Ca 0.19 -0.72 -0.01 0.00 -0.00 0.00 0.00 62.75 62.22 2kdb n ILE 64 Cb 0.51 -1.30 0.34 0.00 -0.00 0.00 0.00 39.64 39.20 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 -3.21 5.91 0.07 1.39 4.77 -0.46 -4.17 117.00 121.30 2kdb n LEU 65 Ca -0.29 -3.12 -0.13 0.00 -0.03 0.00 0.00 56.01 52.44 2kdb n LEU 65 Cb 1.06 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 41.29 2kdb n LEU 65 CO 0.41 0.74 -0.12 -0.09 -1.33 0.00 0.00 177.39 177.01 2kdb h ARG 66 N 3.14 0.17 0.55 3.23 1.12 -0.79 -3.04 114.38 118.76 2kdb h ARG 66 Ca 0.16 -0.29 -0.02 0.00 -1.11 0.00 0.00 59.98 58.72 2kdb h ARG 66 Cb 2.18 0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 32.23 2kdb h ARG 66 CO 0.63 1.07 -0.50 0.87 -3.11 0.00 0.00 179.97 178.93 2kdb h LYS 67 N 0.05 -1.01 0.12 0.20 1.79 -1.85 -3.17 116.57 112.70 2kdb h LYS 67 Ca -0.14 0.07 -0.29 0.00 -2.18 0.00 0.00 60.65 58.10 2kdb h LYS 67 Cb 1.93 0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 32.81 2kdb h LYS 67 CO 0.16 -0.67 -1.50 0.37 -1.08 0.00 0.00 179.45 176.73 2kdb h GLN 68 N -1.04 0.25 0.00 3.15 5.75 -1.90 -3.48 115.11 117.84 2kdb h GLN 68 Ca -0.07 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 2kdb h GLN 68 Cb 0.89 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.61 2kdb h GLN 68 CO -0.03 1.21 0.00 -3.47 -2.65 0.00 0.00 178.83 173.88 2kdb n ASP 69 N -3.86 0.00 -0.02 -0.69 2.03 -1.15 -4.72 116.55 108.14 2kdb n ASP 69 Ca -0.26 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 54.98 2kdb n ASP 69 Cb 0.93 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.28 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 -0.25 -3.84 -0.67 4.81 -1.92 -3.43 114.58 109.28 2kdb h GLU 70 Ca 0.00 0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 2kdb h GLU 70 Cb 0.00 0.06 -0.22 0.00 0.63 0.00 0.00 28.75 29.22 2kdb h GLU 70 CO 0.00 -0.16 -0.65 1.52 -0.73 0.00 0.00 179.01 178.99 2kdb s TYR 71 N -4.28 0.18 -0.14 0.92 1.13 -1.26 -2.29 117.35 111.61 2kdb s TYR 71 Ca -0.07 -0.38 -0.05 0.00 -1.41 0.00 0.00 57.07 55.16 2kdb s TYR 71 Cb 0.04 -0.14 0.07 0.00 -1.10 0.00 0.00 41.96 40.83 2kdb s TYR 71 CO 0.29 -0.20 0.27 -1.01 -2.51 0.00 0.00 175.55 172.40 2kdb s HIS 72 N -1.30 -0.45 -0.46 -3.49 3.76 -0.68 -4.89 115.29 107.78 2kdb s HIS 72 Ca -0.14 0.96 -0.22 0.00 -0.15 0.00 0.00 55.06 55.50 2kdb s HIS 72 Cb -0.09 -0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.60 2kdb s HIS 72 CO -0.00 -0.39 0.74 0.00 -0.85 0.00 0.00 174.74 174.23 2kdb s MET 73 N 2.43 3.34 -0.13 1.40 0.23 -1.26 -0.63 119.30 124.68 2kdb s MET 73 Ca 0.02 -0.25 -0.04 0.00 -1.03 0.00 0.00 55.69 54.39 2kdb s MET 73 Cb -0.12 -3.96 -0.03 0.00 -1.53 0.00 0.00 34.83 29.19 2kdb s MET 73 CO -0.09 -1.11 -0.00 0.08 -2.03 0.00 0.00 175.02 171.86 2kdb s VAL 74 N 3.13 4.22 -0.22 5.16 1.01 0.08 -4.19 120.40 129.58 2kdb s VAL 74 Ca 0.27 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 2kdb s VAL 74 Cb -0.13 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 2kdb s VAL 74 CO 0.21 0.53 0.33 -1.00 0.00 0.00 0.00 175.10 175.17 2kdb s HIS 75 N -0.16 3.33 0.39 5.22 3.76 0.14 -1.18 115.29 126.80 2kdb s HIS 75 Ca 0.04 0.47 -0.24 0.00 -0.15 0.00 0.00 55.06 55.19 2kdb s HIS 75 Cb -0.13 -2.47 -0.09 0.00 1.11 0.00 0.00 32.58 31.01 2kdb s HIS 75 CO 0.02 -0.03 1.04 -1.17 -0.85 0.00 0.00 174.74 173.75 2kdb s LEU 76 N 1.38 4.17 0.00 0.89 2.96 -0.33 -1.13 118.68 126.62 2kdb s LEU 76 Ca 0.15 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 2kdb s LEU 76 Cb -0.15 -4.16 0.00 0.00 0.50 0.00 0.00 46.19 42.39 2kdb s LEU 76 CO 0.07 -0.44 0.13 0.55 -1.32 0.00 0.00 176.35 175.35