#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 0.91 -0.65 0.52 1.01 -0.28 -4.93 120.40 116.97 2kdb s VAL 2 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 2kdb s VAL 2 Cb 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 36.38 35.67 2kdb s VAL 2 CO 0.00 0.25 1.05 -0.89 0.00 0.00 0.00 175.10 175.51 2kdb s THR 3 N -0.29 4.16 -0.62 3.92 2.01 -0.21 -1.32 115.64 123.30 2kdb s THR 3 Ca 0.04 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.90 2kdb s THR 3 Cb -0.05 -4.72 0.11 0.00 0.01 0.00 0.00 72.50 67.86 2kdb s THR 3 CO -0.00 -1.49 0.72 -0.22 -0.69 0.00 0.00 174.62 172.94 2kdb s LEU 4 N 4.53 5.52 -0.89 4.42 2.96 -0.51 -1.50 118.68 133.22 2kdb s LEU 4 Ca 0.28 -1.58 -0.24 0.00 -0.22 0.00 0.00 54.13 52.37 2kdb s LEU 4 Cb -0.13 -2.29 0.05 0.00 0.50 0.00 0.00 46.19 44.32 2kdb s LEU 4 CO 0.14 -1.06 1.33 -0.63 -1.32 0.00 0.00 176.35 174.81 2kdb s ILE 5 N 2.44 3.95 -0.27 6.68 1.01 0.15 -1.18 121.20 133.98 2kdb s ILE 5 Ca 0.12 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.09 2kdb s ILE 5 Cb -0.23 -4.96 0.01 0.00 0.01 0.00 0.00 42.46 37.29 2kdb s ILE 5 CO 0.04 -1.84 0.99 -0.63 0.00 0.00 0.00 174.94 173.49 2kdb s ILE 6 N 4.98 4.66 -0.34 2.92 -1.09 -0.04 -0.75 121.20 131.54 2kdb s ILE 6 Ca 0.39 1.75 0.03 0.00 -2.23 0.00 0.00 60.65 60.59 2kdb s ILE 6 Cb -0.04 -4.29 0.10 0.00 -1.58 0.00 0.00 42.46 36.64 2kdb s ILE 6 CO -0.00 -0.27 0.06 -0.54 -1.23 0.00 0.00 174.94 172.96 2kdb s LYS 7 N 3.27 1.67 -0.06 2.79 1.02 0.32 -0.80 119.74 127.95 2kdb s LYS 7 Ca 0.42 -1.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.30 2kdb s LYS 7 Cb -0.14 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2kdb s LYS 7 CO 0.10 -0.92 1.36 0.00 -0.92 0.00 0.00 175.35 174.97 2kdb s ALA 8 N 0.97 3.59 0.14 5.17 0.00 -1.10 -2.30 121.76 128.23 2kdb s ALA 8 Ca 0.08 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 52.60 2kdb s ALA 8 Cb -0.20 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 2kdb s ALA 8 CO -0.07 -1.02 1.79 -1.00 0.00 0.00 0.00 175.76 175.47 2kdb h PRO 9 N 8.09 0.40 0.00 0.00 0.13 -1.93 -3.23 132.00 135.45 2kdb h PRO 9 Ca -0.34 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2kdb h PRO 9 Cb 1.16 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2kdb h PRO 9 CO 0.92 0.26 -1.35 -1.71 -0.23 0.00 0.00 178.00 175.89 2kdb n ASN 10 N -4.89 1.87 -4.89 1.44 2.85 -1.26 -5.03 115.26 105.35 2kdb n ASN 10 Ca -0.01 -0.16 -0.32 0.00 -0.11 0.00 0.00 54.58 53.98 2kdb n ASN 10 Cb 0.04 1.44 -0.05 0.00 1.24 0.00 0.00 39.78 42.45 2kdb n ASN 10 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2kdb s GLN 11 N -2.70 3.70 0.32 1.20 2.00 -1.22 -5.00 119.66 117.96 2kdb s GLN 11 Ca -0.03 0.07 0.24 0.00 -2.00 0.00 0.00 55.36 53.64 2kdb s GLN 11 Cb 0.08 -2.81 1.14 0.00 0.80 0.00 0.00 33.01 32.23 2kdb s GLN 11 CO 0.50 0.43 1.73 1.57 -0.50 0.00 0.00 175.29 179.03 2kdb h LYS 12 N 2.87 0.00 -3.04 1.67 2.10 -1.96 -3.32 116.57 114.88 2kdb h LYS 12 Ca -0.47 0.00 -0.71 0.00 -2.00 0.00 0.00 60.65 57.48 2kdb h LYS 12 Cb 1.17 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.45 2kdb h LYS 12 CO 0.71 0.00 3.13 0.66 -2.00 0.00 0.00 179.45 181.95 2kdb n TYR 13 N -2.33 2.66 -3.75 0.07 4.01 -1.26 -4.92 117.16 111.63 2kdb n TYR 13 Ca 0.00 -2.97 -0.20 0.00 -0.16 0.00 0.00 57.90 54.58 2kdb n TYR 13 Cb 0.14 -2.24 -0.02 0.00 -0.31 0.00 0.00 39.34 36.92 2kdb n TYR 13 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2kdb s SER 14 N 1.58 6.06 -1.01 7.72 0.15 -1.25 -2.71 113.70 124.24 2kdb s SER 14 Ca 0.59 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2kdb s SER 14 Cb 0.17 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2kdb s SER 14 CO -0.07 -0.24 0.00 -0.90 1.20 0.00 0.00 173.24 173.23 2kdb n ASP 15 N -1.49 -2.99 -4.59 5.45 5.68 -0.62 -4.87 116.55 113.11 2kdb n ASP 15 Ca -0.05 0.25 -0.42 0.00 -0.50 0.00 0.00 54.79 54.07 2kdb n ASP 15 Cb 0.58 -2.76 -0.03 0.00 -1.14 0.00 0.00 41.12 37.77 2kdb n ASP 15 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2kdb s GLN 16 N -3.72 3.25 -0.62 0.11 -1.52 0.02 -4.68 119.66 112.51 2kdb s GLN 16 Ca 0.00 1.27 -0.28 0.00 -1.95 0.00 0.00 55.36 54.41 2kdb s GLN 16 Cb 0.00 -4.21 0.02 0.00 -0.22 0.00 0.00 33.01 28.60 2kdb s GLN 16 CO 0.00 -1.96 1.39 0.95 -0.25 0.00 0.00 175.29 175.42 2kdb s THR 17 N 7.10 3.76 -0.25 -0.19 -4.23 -1.26 -0.87 115.64 119.70 2kdb s THR 17 Ca 0.77 0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 61.75 2kdb s THR 17 Cb -0.20 -4.57 -0.05 0.00 1.34 0.00 0.00 72.50 69.02 2kdb s THR 17 CO 0.32 -1.37 0.21 -0.63 -0.54 0.00 0.00 174.62 172.61 2kdb s ILE 18 N 6.09 5.31 -0.54 2.99 -1.09 -0.33 -4.90 121.20 128.73 2kdb s ILE 18 Ca 0.47 0.26 -0.27 0.00 -2.23 0.00 0.00 60.65 58.89 2kdb s ILE 18 Cb -0.10 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 2kdb s ILE 18 CO 0.22 0.29 1.89 -0.94 -1.23 0.00 0.00 174.94 175.17 2kdb s SER 19 N 1.32 5.32 0.47 3.58 1.04 -1.26 -1.42 113.70 122.75 2kdb s SER 19 Ca 0.09 0.60 0.03 0.00 0.48 0.00 0.00 55.95 57.15 2kdb s SER 19 Cb -0.15 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 2kdb s SER 19 CO 0.07 -2.29 0.01 0.00 0.98 0.00 0.00 173.24 172.01 2kdb s PHE 21 N -2.83 1.34 -1.41 0.00 0.08 -1.26 -1.13 117.98 112.77 2kdb s PHE 21 Ca 0.18 -0.26 0.29 0.00 0.12 0.00 0.00 56.93 57.26 2kdb s PHE 21 Cb 0.05 -0.86 1.32 0.00 -0.57 0.00 0.00 43.02 42.96 2kdb s PHE 21 CO 0.09 -0.02 1.93 1.28 -0.10 0.00 0.00 175.22 178.41 2kdb n LEU 22 N 2.68 0.18 -0.19 -0.37 4.77 -1.26 -4.01 117.00 118.80 2kdb n LEU 22 Ca -0.14 0.21 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 2kdb n LEU 22 Cb 0.55 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 2kdb n LEU 22 CO 0.24 0.04 1.10 0.78 -1.33 0.00 0.00 177.39 178.22 2kdb h ASN 23 N 0.18 0.61 -3.71 -1.43 4.21 -1.98 -2.84 115.58 110.62 2kdb h ASN 23 Ca 0.00 -0.01 -0.45 0.00 1.21 0.00 0.00 56.30 57.05 2kdb h ASN 23 Cb 0.35 -0.14 0.14 0.00 -1.12 0.00 0.00 38.32 37.55 2kdb h ASN 23 CO 0.00 0.43 0.36 0.26 -1.29 0.00 0.00 177.43 177.19 2kdb s TRP 24 N -6.15 1.76 0.68 1.19 0.51 -1.26 -4.88 118.94 110.81 2kdb s TRP 24 Ca -0.13 0.25 -0.08 0.00 -2.12 0.00 0.00 56.10 54.02 2kdb s TRP 24 Cb 0.13 -3.82 0.04 0.00 -0.81 0.00 0.00 33.47 29.01 2kdb s TRP 24 CO 0.75 -2.35 1.02 0.95 -0.51 0.00 0.00 176.95 176.80 2kdb s THR 25 N -3.70 2.87 0.27 2.01 -4.23 -1.26 -2.60 115.64 109.01 2kdb s THR 25 Ca 0.71 -0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 61.18 2kdb s THR 25 Cb -0.05 -3.22 0.27 0.00 1.34 0.00 0.00 72.50 70.84 2kdb s THR 25 CO 0.51 -0.25 1.89 0.58 -0.54 0.00 0.00 174.62 176.81 2kdb h VAL 26 N -0.54 1.10 -0.24 2.29 2.07 -1.29 -2.42 116.25 117.22 2kdb h VAL 26 Ca -0.45 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 2kdb h VAL 26 Cb 1.29 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2kdb h VAL 26 CO 0.62 0.21 -0.12 1.23 0.02 0.00 0.00 177.57 179.53 2kdb h GLY 27 N 1.17 0.55 1.11 2.17 0.00 -1.65 -0.16 103.07 106.26 2kdb h GLY 27 Ca 0.42 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 2kdb h GLY 27 CO -0.16 0.45 0.14 0.50 0.00 0.00 0.00 176.54 177.48 2kdb h LYS 28 N 0.23 1.10 -0.13 4.80 6.56 -1.77 0.23 116.57 127.59 2kdb h LYS 28 Ca 0.05 -0.27 -0.18 0.00 -1.06 0.00 0.00 60.65 59.19 2kdb h LYS 28 Cb 0.62 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 32.14 2kdb h LYS 28 CO 0.04 0.98 -0.66 1.25 -2.06 0.00 0.00 179.45 179.00 2kdb h LEU 29 N 1.04 0.61 -1.30 2.94 7.12 -1.43 -1.87 115.31 122.41 2kdb h LEU 29 Ca 0.21 -0.37 -0.07 0.00 0.13 0.00 0.00 57.88 57.79 2kdb h LEU 29 Cb 0.39 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.34 2kdb h LEU 29 CO 0.01 1.10 -0.33 0.50 -0.13 0.00 0.00 178.44 179.59 2kdb h LYS 30 N 0.38 0.00 -0.19 1.25 3.64 -0.68 0.18 116.57 121.15 2kdb h LYS 30 Ca -0.02 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 2kdb h LYS 30 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2kdb h LYS 30 CO 0.12 0.33 -0.55 1.15 -2.27 0.00 0.00 179.45 178.24 2kdb h THR 31 N 0.00 1.31 -0.92 1.00 2.02 -0.82 -0.96 112.91 114.53 2kdb h THR 31 Ca -0.00 -1.77 0.07 0.00 0.77 0.00 0.00 66.41 65.47 2kdb h THR 31 Cb 0.65 1.90 -0.06 0.00 -1.74 0.00 0.00 68.15 68.90 2kdb h THR 31 CO 0.04 0.56 0.59 -0.74 0.37 0.00 0.00 175.52 176.35 2kdb h HIS 32 N 0.41 1.06 -0.56 3.16 -0.00 -0.80 -1.39 115.15 117.04 2kdb h HIS 32 Ca -0.01 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.29 2kdb h HIS 32 Cb 1.17 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 28.21 2kdb h HIS 32 CO 0.09 0.55 -0.01 -0.07 -0.00 0.00 0.00 177.93 178.48 2kdb h LEU 33 N 1.03 0.97 -2.51 0.26 3.38 -0.54 -0.73 115.31 117.18 2kdb h LEU 33 Ca 0.40 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2kdb h LEU 33 Cb 0.21 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kdb h LEU 33 CO -0.15 1.05 0.00 -1.28 0.09 0.00 0.00 178.44 178.15 2kdb h SER 34 N 0.87 0.00 0.04 -0.43 0.87 -0.10 -0.00 113.55 114.80 2kdb h SER 34 Ca 0.16 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.35 2kdb h SER 34 Cb 0.56 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 2kdb h SER 34 CO 0.03 0.00 -2.09 0.59 -0.53 0.00 0.00 176.83 174.83 2kdb n ASN 35 N -2.93 1.99 0.03 6.23 3.02 -0.83 -4.55 115.26 118.21 2kdb n ASN 35 Ca -0.02 0.19 0.11 0.00 -0.03 0.00 0.00 54.58 54.83 2kdb n ASN 35 Cb 0.10 -0.76 0.03 0.00 -0.61 0.00 0.00 39.78 38.54 2kdb n ASN 35 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2kdb n VAL 36 N -3.81 0.17 -3.00 2.41 0.24 -0.31 -4.92 118.33 109.12 2kdb n VAL 36 Ca -0.41 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.34 61.25 2kdb n VAL 36 Cb 0.91 0.20 -0.06 0.00 -1.47 0.00 0.00 33.84 33.43 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 -3.19 3.85 0.35 6.34 5.04 -0.05 -4.98 117.35 124.70 2kdb s TYR 37 Ca 0.04 1.57 0.09 0.00 -2.44 0.00 0.00 57.07 56.33 2kdb s TYR 37 Cb 0.14 -2.77 0.81 0.00 0.35 0.00 0.00 41.96 40.50 2kdb s TYR 37 CO 0.80 0.45 1.84 -1.00 -1.34 0.00 0.00 175.55 176.29 2kdb h PRO 38 N 4.74 0.68 0.00 4.97 0.13 -1.91 -1.50 132.00 139.10 2kdb h PRO 38 Ca -0.46 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.46 2kdb h PRO 38 Cb 1.21 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 2kdb h PRO 38 CO 0.67 0.45 -1.04 1.03 -0.23 0.00 0.00 178.00 178.88 2kdb h SER 39 N 0.70 0.00 -5.31 1.44 0.87 -1.94 -3.50 113.55 105.80 2kdb h SER 39 Ca 0.49 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 61.03 2kdb h SER 39 Cb 0.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2kdb h SER 39 CO -0.25 0.68 -0.82 0.29 -0.53 0.00 0.00 176.83 176.20 2kdb n LYS 40 N -3.12 -2.87 -2.47 2.24 5.02 -0.57 -4.99 118.16 111.41 2kdb n LYS 40 Ca -0.04 2.40 -0.36 0.00 -2.02 0.00 0.00 58.31 58.28 2kdb n LYS 40 Cb 0.85 -5.16 -0.03 0.00 -0.02 0.00 0.00 35.03 30.67 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 -2.01 3.96 -0.32 1.97 0.04 -1.26 -4.97 135.00 132.41 2kdb s PRO 41 Ca 0.11 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.41 2kdb s PRO 41 Cb -0.03 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 2kdb s PRO 41 CO 0.74 -0.33 1.91 -0.51 0.04 0.00 0.00 177.00 178.85 2kdb s LEU 42 N -2.96 3.48 0.32 -3.56 1.43 -1.26 -4.46 118.68 111.67 2kdb s LEU 42 Ca 0.62 1.39 0.04 0.00 -1.03 0.00 0.00 54.13 55.15 2kdb s LEU 42 Cb -0.22 -3.45 0.65 0.00 0.03 0.00 0.00 46.19 43.19 2kdb s LEU 42 CO 0.27 -1.81 1.89 0.74 0.23 0.00 0.00 176.35 177.67 2kdb h THR 43 N 6.91 0.97 0.00 5.49 2.02 -1.88 0.31 112.91 126.72 2kdb h THR 43 Ca -0.35 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.43 2kdb h THR 43 Cb 1.19 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2kdb h THR 43 CO 1.02 0.16 -0.47 0.07 0.37 0.00 0.00 175.52 176.68 2kdb h LYS 44 N 0.89 0.00 0.00 6.66 5.09 -1.97 -3.34 116.57 123.90 2kdb h LYS 44 Ca 0.41 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.82 2kdb h LYS 44 Cb 0.40 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.67 2kdb h LYS 44 CO -0.18 0.47 -2.26 -3.47 -2.09 0.00 0.00 179.45 171.93 2kdb n ASP 45 N -3.61 1.18 -4.80 7.07 2.03 -0.77 -4.97 116.55 112.68 2kdb n ASP 45 Ca -0.00 -0.05 -0.38 0.00 0.52 0.00 0.00 54.79 54.88 2kdb n ASP 45 Cb 0.56 0.46 -0.06 0.00 -0.72 0.00 0.00 41.12 41.36 2kdb n ASP 45 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kdb s GLN 46 N -2.44 4.38 0.22 -0.67 -1.52 0.03 -5.05 119.66 114.61 2kdb s GLN 46 Ca -0.17 0.97 0.09 0.00 -1.95 0.00 0.00 55.36 54.30 2kdb s GLN 46 Cb 0.06 -3.12 -0.05 0.00 -0.22 0.00 0.00 33.01 29.68 2kdb s GLN 46 CO 0.66 0.52 -0.16 1.03 -0.25 0.00 0.00 175.29 177.09 2kdb s ARG 47 N -1.43 1.42 -0.37 2.91 3.00 -1.26 -4.85 118.95 118.37 2kdb s ARG 47 Ca 0.37 -1.63 -0.12 0.00 0.00 0.00 0.00 55.73 54.34 2kdb s ARG 47 Cb -0.20 -1.30 0.01 0.00 0.00 0.00 0.00 34.95 33.46 2kdb s ARG 47 CO 0.23 0.23 0.23 -0.51 0.00 0.00 0.00 175.30 175.48 2kdb s LEU 48 N -3.35 4.69 -0.36 2.53 1.02 -1.26 -1.89 118.68 120.06 2kdb s LEU 48 Ca 0.24 -0.77 -0.09 0.00 0.02 0.00 0.00 54.13 53.53 2kdb s LEU 48 Cb -0.02 -2.08 0.03 0.00 0.02 0.00 0.00 46.19 44.14 2kdb s LEU 48 CO 0.09 -0.34 0.17 -0.69 0.02 0.00 0.00 176.35 175.60 2kdb s VAL 49 N 1.64 4.24 -0.19 -1.59 1.01 -0.44 -0.75 120.40 124.32 2kdb s VAL 49 Ca 0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 2kdb s VAL 49 Cb -0.18 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 2kdb s VAL 49 CO 0.08 -0.22 -0.09 -0.47 0.00 0.00 0.00 175.10 174.40 2kdb s TYR 50 N 1.49 2.89 -1.06 5.22 5.04 -0.45 -1.02 117.35 129.46 2kdb s TYR 50 Ca 0.00 -0.99 0.00 0.00 -2.44 0.00 0.00 57.07 53.65 2kdb s TYR 50 Cb -0.19 -2.01 0.00 0.00 0.35 0.00 0.00 41.96 40.11 2kdb s TYR 50 CO 0.05 -0.51 0.00 0.43 -1.34 0.00 0.00 175.55 174.18 2kdb n SER 51 N 4.45 -5.52 0.00 4.32 7.64 -1.26 -1.36 113.62 121.89 2kdb n SER 51 Ca -0.19 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2kdb n SER 51 Cb 0.51 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.81 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 -0.00 1.24 3.95 0.23 0.00 -1.26 -5.09 105.19 104.25 2kdb n GLY 52 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.82 3.02 -0.21 1.61 1.70 -0.47 -5.09 118.95 118.69 2kdb s ARG 53 Ca 0.00 -0.46 -0.09 0.00 -0.47 0.00 0.00 55.73 54.71 2kdb s ARG 53 Cb 0.00 -2.52 -0.05 0.00 -0.57 0.00 0.00 34.95 31.81 2kdb s ARG 53 CO 0.00 -0.34 0.12 -1.17 -1.08 0.00 0.00 175.30 172.82 2kdb s LEU 54 N -4.61 4.05 -0.55 -1.89 1.98 -1.26 -1.34 118.68 115.06 2kdb s LEU 54 Ca 0.49 0.14 -0.14 0.00 -2.89 0.00 0.00 54.13 51.74 2kdb s LEU 54 Cb -0.10 -2.05 0.13 0.00 0.66 0.00 0.00 46.19 44.83 2kdb s LEU 54 CO 0.39 0.14 0.49 -0.76 -1.89 0.00 0.00 176.35 174.71 2kdb s LEU 55 N 0.58 6.12 0.57 -0.68 1.43 0.07 -4.97 118.68 121.80 2kdb s LEU 55 Ca 0.06 -1.90 -0.14 0.00 -1.03 0.00 0.00 54.13 51.12 2kdb s LEU 55 Cb -0.12 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 2kdb s LEU 55 CO 0.00 -0.80 1.02 -2.16 0.23 0.00 0.00 176.35 174.64 2kdb s PRO 56 N 1.42 3.66 0.52 1.29 0.04 -1.26 -4.06 135.00 136.61 2kdb s PRO 56 Ca 0.05 0.94 0.18 0.00 0.04 0.00 0.00 61.00 62.21 2kdb s PRO 56 Cb -0.28 -2.09 1.32 0.00 0.04 0.00 0.00 34.50 33.49 2kdb s PRO 56 CO 0.01 -0.52 2.15 0.38 0.04 0.00 0.00 177.00 179.06 2kdb h ASP 57 N 0.35 0.00 1.41 6.66 2.03 -1.98 -3.15 116.42 121.75 2kdb h ASP 57 Ca -0.46 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.74 2kdb h ASP 57 Cb 1.19 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 2kdb h ASP 57 CO 0.60 0.02 -0.49 1.12 -1.03 0.00 0.00 179.24 179.46 2kdb h HIS 58 N 0.00 0.00 -2.37 4.15 2.07 -1.96 -2.17 115.15 114.87 2kdb h HIS 58 Ca -0.00 0.00 -0.46 0.00 -2.85 0.00 0.00 60.37 57.06 2kdb h HIS 58 Cb 0.03 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.01 2kdb h HIS 58 CO 0.00 0.49 -0.29 -0.48 -3.07 0.00 0.00 177.93 174.58 2kdb s LEU 59 N -6.53 4.05 0.35 6.12 0.05 -1.19 -4.91 118.68 116.62 2kdb s LEU 59 Ca 0.03 0.16 -0.25 0.00 0.05 0.00 0.00 54.13 54.12 2kdb s LEU 59 Cb 0.08 -3.02 -0.10 0.00 -2.05 0.00 0.00 46.19 41.10 2kdb s LEU 59 CO 0.74 -0.31 0.95 -1.10 -0.55 0.00 0.00 176.35 176.07 2kdb s GLN 60 N -4.21 4.50 0.22 1.48 1.11 -1.26 -1.62 119.66 119.87 2kdb s GLN 60 Ca 0.40 1.29 -0.09 0.00 0.01 0.00 0.00 55.36 56.98 2kdb s GLN 60 Cb -0.09 -2.67 0.23 0.00 -1.01 0.00 0.00 33.01 29.47 2kdb s GLN 60 CO 0.33 0.21 1.84 -0.07 0.01 0.00 0.00 175.29 177.60 2kdb h LEU 61 N 2.91 0.70 -1.51 2.90 3.38 -1.57 -2.80 115.31 119.32 2kdb h LEU 61 Ca -0.47 0.01 0.24 0.00 0.09 0.00 0.00 57.88 57.75 2kdb h LEU 61 Cb 1.19 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 2kdb h LEU 61 CO 0.64 0.46 0.64 0.07 0.09 0.00 0.00 178.44 180.35 2kdb h LYS 62 N 0.83 0.35 0.00 1.13 5.09 -1.76 -0.42 116.57 121.79 2kdb h LYS 62 Ca 0.31 -0.02 -0.00 0.00 0.09 0.00 0.00 60.65 61.02 2kdb h LYS 62 Cb 0.10 -0.08 -0.00 0.00 0.10 0.00 0.00 32.23 32.35 2kdb h LYS 62 CO -0.14 0.23 -0.01 0.22 -2.09 0.00 0.00 179.45 177.66 2kdb h ASP 63 N 0.36 0.00 0.00 7.07 3.58 -1.81 0.66 116.42 126.29 2kdb h ASP 63 Ca 0.52 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.72 2kdb h ASP 63 Cb 1.37 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.38 2kdb h ASP 63 CO -0.20 0.01 -1.92 -0.38 -2.88 0.00 0.00 179.24 173.87 2kdb n ILE 64 N -4.05 0.92 -0.21 2.25 -0.00 -0.87 -4.75 119.36 112.66 2kdb n ILE 64 Ca -0.03 -0.41 0.09 0.00 -0.00 0.00 0.00 62.75 62.40 2kdb n ILE 64 Cb 0.10 -0.97 0.30 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 -2.85 3.94 0.13 1.39 4.77 -0.22 -3.90 117.00 120.26 2kdb n LEU 65 Ca -0.27 -1.98 -0.02 0.00 -0.03 0.00 0.00 56.01 53.71 2kdb n LEU 65 Cb 0.84 -0.50 0.13 0.00 -2.33 0.00 0.00 43.42 41.56 2kdb n LEU 65 CO 0.19 0.75 0.45 -0.09 -1.33 0.00 0.00 177.39 177.36 2kdb h ARG 66 N 3.57 0.00 0.32 3.23 2.43 -1.14 -2.84 114.38 119.95 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 1.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2kdb h ARG 66 CO 0.15 0.66 -0.32 0.87 -1.51 0.00 0.00 179.97 179.81 2kdb h LYS 67 N 0.00 -0.62 0.00 0.20 1.57 -1.84 -2.99 116.57 112.89 2kdb h LYS 67 Ca -0.01 0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 2kdb h LYS 67 Cb 1.20 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.62 2kdb h LYS 67 CO 0.09 -0.41 -1.05 1.96 -0.57 0.00 0.00 179.45 179.46 2kdb h GLN 68 N -0.64 0.00 0.00 3.15 7.50 -1.88 -3.48 115.11 119.76 2kdb h GLN 68 Ca -0.04 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2kdb h GLN 68 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.09 2kdb h GLN 68 CO -0.04 0.78 0.00 -3.47 -1.50 0.00 0.00 178.83 174.59 2kdb n ASP 69 N -3.25 0.00 0.00 1.46 2.03 -1.07 -4.48 116.55 111.24 2kdb n ASP 69 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2kdb n ASP 69 Cb 0.91 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.31 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 -3.40 -0.67 4.07 -1.26 -4.72 120.64 114.66 2kdb n GLU 70 Ca 0.00 0.14 -0.38 0.00 -0.06 0.00 0.00 57.16 56.86 2kdb n GLU 70 Cb 0.00 -0.80 -0.06 0.00 -0.06 0.00 0.00 31.44 30.52 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 -0.68 3.60 -0.26 4.31 1.13 -1.26 -1.04 117.35 123.14 2kdb s TYR 71 Ca 0.00 0.91 -0.04 0.00 -1.41 0.00 0.00 57.07 56.54 2kdb s TYR 71 Cb 0.00 -2.44 0.10 0.00 -1.10 0.00 0.00 41.96 38.52 2kdb s TYR 71 CO 0.00 0.36 0.16 -1.01 -2.51 0.00 0.00 175.55 172.55 2kdb s HIS 72 N -0.06 0.11 -0.81 -3.49 3.76 -0.56 -4.82 115.29 109.42 2kdb s HIS 72 Ca 0.24 -0.57 -0.26 0.00 -0.15 0.00 0.00 55.06 54.33 2kdb s HIS 72 Cb -0.16 -0.74 0.03 0.00 1.11 0.00 0.00 32.58 32.82 2kdb s HIS 72 CO 0.11 -0.77 1.39 0.00 -0.85 0.00 0.00 174.74 174.62 2kdb s MET 73 N 2.17 3.23 -0.01 1.40 0.23 -1.26 -0.67 119.30 124.39 2kdb s MET 73 Ca 0.08 -0.40 0.01 0.00 -1.03 0.00 0.00 55.69 54.34 2kdb s MET 73 Cb -0.16 -4.53 -0.04 0.00 -1.53 0.00 0.00 34.83 28.58 2kdb s MET 73 CO -0.29 -2.25 0.02 0.08 -2.03 0.00 0.00 175.02 170.55 2kdb s VAL 74 N 5.94 4.33 -0.19 5.16 1.01 0.08 -4.41 120.40 132.31 2kdb s VAL 74 Ca 0.41 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 2kdb s VAL 74 Cb -0.06 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2kdb s VAL 74 CO 0.08 0.38 0.27 -1.00 0.00 0.00 0.00 175.10 174.84 2kdb s HIS 75 N -1.10 3.41 -0.76 5.22 3.76 -0.19 -0.52 115.29 125.10 2kdb s HIS 75 Ca 0.20 0.49 -0.19 0.00 -0.15 0.00 0.00 55.06 55.41 2kdb s HIS 75 Cb -0.12 -2.35 0.12 0.00 1.11 0.00 0.00 32.58 31.34 2kdb s HIS 75 CO 0.11 0.15 0.93 -1.17 -0.85 0.00 0.00 174.74 173.91 2kdb s LEU 76 N 0.77 5.15 0.00 0.89 2.96 -0.97 -1.33 118.68 126.14 2kdb s LEU 76 Ca 0.14 -1.67 0.27 0.00 -0.22 0.00 0.00 54.13 52.65 2kdb s LEU 76 Cb -0.13 -2.36 0.82 0.00 0.50 0.00 0.00 46.19 45.02 2kdb s LEU 76 CO 0.04 -1.13 1.61 1.33 -1.32 0.00 0.00 176.35 176.89