#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 2.29 -0.77 -1.45 1.01 -0.24 -4.42 120.40 116.84 2kdb s VAL 2 Ca 0.00 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 2kdb s VAL 2 Cb 0.00 -1.97 0.08 0.00 0.00 0.00 0.00 36.38 34.49 2kdb s VAL 2 CO 0.00 0.52 1.07 -0.89 0.00 0.00 0.00 175.10 175.80 2kdb s THR 3 N 1.18 4.35 -0.66 3.92 2.01 0.15 -1.25 115.64 125.35 2kdb s THR 3 Ca 0.02 -0.66 -0.21 0.00 0.31 0.00 0.00 61.69 61.15 2kdb s THR 3 Cb -0.14 -4.76 0.09 0.00 0.01 0.00 0.00 72.50 67.70 2kdb s THR 3 CO -0.08 -1.54 0.89 -0.22 -0.69 0.00 0.00 174.62 172.98 2kdb s LEU 4 N 3.90 4.76 -0.80 4.42 2.96 -0.39 -1.26 118.68 132.27 2kdb s LEU 4 Ca 0.28 -1.21 -0.25 0.00 -0.22 0.00 0.00 54.13 52.73 2kdb s LEU 4 Cb -0.12 -2.38 0.05 0.00 0.50 0.00 0.00 46.19 44.24 2kdb s LEU 4 CO 0.04 -1.31 1.25 -0.63 -1.32 0.00 0.00 176.35 174.38 2kdb s ILE 5 N 3.52 3.94 -0.29 6.68 1.01 0.21 -1.16 121.20 135.11 2kdb s ILE 5 Ca 0.19 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 2kdb s ILE 5 Cb -0.18 -4.90 0.00 0.00 0.01 0.00 0.00 42.46 37.39 2kdb s ILE 5 CO 0.07 -1.78 1.25 -0.63 0.00 0.00 0.00 174.94 173.85 2kdb s ILE 6 N 5.06 4.23 -0.37 2.92 -1.09 -0.09 -0.97 121.20 130.89 2kdb s ILE 6 Ca 0.35 1.40 -0.16 0.00 -2.23 0.00 0.00 60.65 60.01 2kdb s ILE 6 Cb -0.08 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 2kdb s ILE 6 CO 0.07 -0.45 0.39 -0.54 -1.23 0.00 0.00 174.94 173.18 2kdb s LYS 7 N 4.00 3.37 0.55 2.79 -0.14 -0.48 -1.69 119.74 128.14 2kdb s LYS 7 Ca 0.54 -0.56 -0.21 0.00 -1.36 0.00 0.00 55.97 54.38 2kdb s LYS 7 Cb -0.16 -3.87 -0.05 0.00 -1.68 0.00 0.00 37.83 32.07 2kdb s LYS 7 CO 0.21 -0.65 1.30 0.00 -0.76 0.00 0.00 175.35 175.45 2kdb s ALA 8 N 2.05 2.75 0.32 5.17 0.00 -1.26 -0.61 121.76 130.18 2kdb s ALA 8 Ca 0.12 1.21 0.09 0.00 0.00 0.00 0.00 51.96 53.38 2kdb s ALA 8 Cb -0.17 -3.52 0.96 0.00 0.00 0.00 0.00 23.12 20.39 2kdb s ALA 8 CO 0.12 -1.25 1.61 -1.35 0.00 0.00 0.00 175.76 174.89 2kdb h PRO 9 N 1.37 0.11 0.00 0.00 0.11 -1.86 -3.37 132.00 128.36 2kdb h PRO 9 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kdb h PRO 9 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2kdb h PRO 9 CO 0.57 0.07 0.00 0.09 -0.21 0.00 0.00 178.00 178.52 2kdb n ASN 10 N -5.28 0.00 -2.70 -2.05 3.02 -1.26 -5.00 115.26 101.98 2kdb n ASN 10 Ca 0.28 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.76 2kdb n ASN 10 Cb 0.92 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 40.18 2kdb n ASN 10 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2kdb n GLN 11 N -1.16 0.89 -0.02 3.52 0.00 -1.26 -5.00 117.38 114.34 2kdb n GLN 11 Ca 0.00 -1.62 -0.16 0.00 -0.00 0.00 0.00 57.00 55.22 2kdb n GLN 11 Cb 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.65 2kdb n GLN 11 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2kdb h LYS 12 N 2.39 0.49 -4.72 3.69 1.57 -1.96 -3.47 116.57 114.56 2kdb h LYS 12 Ca -0.23 -0.41 -0.29 0.00 -1.87 0.00 0.00 60.65 57.85 2kdb h LYS 12 Cb 1.19 0.09 -0.15 0.00 0.08 0.00 0.00 32.23 33.44 2kdb h LYS 12 CO 0.01 1.04 -0.62 0.71 -0.57 0.00 0.00 179.45 180.03 2kdb s TYR 13 N -3.63 1.32 0.29 -1.35 2.02 -1.26 -5.12 117.35 109.63 2kdb s TYR 13 Ca -0.13 -1.31 -0.05 0.00 -0.37 0.00 0.00 57.07 55.22 2kdb s TYR 13 Cb 0.05 -0.70 0.07 0.00 -0.40 0.00 0.00 41.96 40.98 2kdb s TYR 13 CO 0.82 -0.52 0.33 0.43 -1.57 0.00 0.00 175.55 175.04 2kdb n SER 14 N -0.37 -0.57 -4.57 2.29 7.64 -1.26 -4.34 113.62 112.44 2kdb n SER 14 Ca 0.01 -0.93 -0.21 0.00 1.01 0.00 0.00 58.87 58.76 2kdb n SER 14 Cb 0.66 -0.27 -0.07 0.00 -1.01 0.00 0.00 64.21 63.52 2kdb n SER 14 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kdb s ASP 15 N -2.31 4.44 -0.56 6.43 1.11 -1.26 -4.50 116.67 120.02 2kdb s ASP 15 Ca 0.20 -0.66 -0.28 0.00 0.18 0.00 0.00 52.55 51.99 2kdb s ASP 15 Cb -0.01 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.43 2kdb s ASP 15 CO 0.14 -3.49 1.39 -1.10 1.18 0.00 0.00 175.17 173.29 2kdb s GLN 16 N 7.76 3.33 -0.81 8.23 -1.52 -0.68 -4.79 119.66 131.17 2kdb s GLN 16 Ca 0.79 0.43 -0.23 0.00 -1.95 0.00 0.00 55.36 54.39 2kdb s GLN 16 Cb -0.07 -4.11 0.06 0.00 -0.22 0.00 0.00 33.01 28.67 2kdb s GLN 16 CO 0.07 -1.91 1.20 0.95 -0.25 0.00 0.00 175.29 175.35 2kdb s THR 17 N 5.93 4.12 -0.43 -0.19 -4.23 -1.26 -0.91 115.64 118.67 2kdb s THR 17 Ca 0.51 -0.42 -0.21 0.00 -1.18 0.00 0.00 61.69 60.39 2kdb s THR 17 Cb -0.10 -4.86 0.02 0.00 1.34 0.00 0.00 72.50 68.90 2kdb s THR 17 CO 0.25 -1.70 0.67 -0.63 -0.54 0.00 0.00 174.62 172.67 2kdb s ILE 18 N 4.55 4.80 -0.03 2.99 -1.09 -0.31 -4.85 121.20 127.26 2kdb s ILE 18 Ca 0.33 0.26 -0.30 0.00 -2.23 0.00 0.00 60.65 58.71 2kdb s ILE 18 Cb -0.08 -4.21 -0.06 0.00 -1.58 0.00 0.00 42.46 36.53 2kdb s ILE 18 CO 0.04 -0.57 1.62 -0.94 -1.23 0.00 0.00 174.94 173.85 2kdb s SER 19 N 1.99 6.68 0.37 3.58 1.04 -1.26 -1.26 113.70 124.84 2kdb s SER 19 Ca 0.24 2.25 -0.03 0.00 0.48 0.00 0.00 55.95 58.89 2kdb s SER 19 Cb -0.14 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.46 2kdb s SER 19 CO 0.19 -0.89 0.54 0.00 0.98 0.00 0.00 173.24 174.05 2kdb s PHE 21 N -2.76 0.72 -1.77 0.00 5.36 -1.26 -1.07 117.98 117.19 2kdb s PHE 21 Ca 0.29 -0.70 0.30 0.00 -0.96 0.00 0.00 56.93 55.85 2kdb s PHE 21 Cb -0.01 -0.43 1.66 0.00 -0.34 0.00 0.00 43.02 43.89 2kdb s PHE 21 CO 0.21 -0.13 2.07 1.28 -1.46 0.00 0.00 175.22 177.18 2kdb n LEU 22 N 0.81 0.00 -0.04 6.12 4.77 -1.26 -4.04 117.00 123.36 2kdb n LEU 22 Ca -0.18 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.80 2kdb n LEU 22 Cb 0.57 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2kdb n LEU 22 CO 0.25 -0.01 0.88 -1.13 -1.33 0.00 0.00 177.39 176.05 2kdb h ASN 23 N 0.00 0.21 -4.45 -1.43 -0.73 -1.98 -2.97 115.58 104.23 2kdb h ASN 23 Ca 0.00 -0.11 -0.46 0.00 1.87 0.00 0.00 56.30 57.60 2kdb h ASN 23 Cb 0.11 -0.05 0.12 0.00 0.27 0.00 0.00 38.32 38.76 2kdb h ASN 23 CO 0.00 0.26 0.39 0.26 -0.37 0.00 0.00 177.43 177.98 2kdb s TRP 24 N -5.76 2.63 0.69 0.67 0.51 -1.26 -4.79 118.94 111.64 2kdb s TRP 24 Ca -0.13 0.69 -0.09 0.00 -2.12 0.00 0.00 56.10 54.44 2kdb s TRP 24 Cb 0.07 -3.59 0.03 0.00 -0.81 0.00 0.00 33.47 29.17 2kdb s TRP 24 CO 0.70 -2.03 1.05 0.95 -0.51 0.00 0.00 176.95 177.10 2kdb s THR 25 N -3.59 3.13 0.36 2.01 -4.23 -1.26 -2.06 115.64 110.00 2kdb s THR 25 Ca 0.64 0.17 0.07 0.00 -1.18 0.00 0.00 61.69 61.39 2kdb s THR 25 Cb -0.10 -3.33 0.30 0.00 1.34 0.00 0.00 72.50 70.71 2kdb s THR 25 CO 0.50 -0.40 1.93 0.58 -0.54 0.00 0.00 174.62 176.69 2kdb h VAL 26 N -0.58 0.96 0.04 2.29 2.07 -1.49 -1.92 116.25 117.61 2kdb h VAL 26 Ca -0.45 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 2kdb h VAL 26 Cb 1.28 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2kdb h VAL 26 CO 0.63 0.14 -0.02 1.23 0.02 0.00 0.00 177.57 179.57 2kdb h GLY 27 N 0.75 -0.05 1.54 2.17 0.00 -1.76 -0.42 103.07 105.29 2kdb h GLY 27 Ca 0.36 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 2kdb h GLY 27 CO -0.14 -0.02 -0.03 0.50 0.00 0.00 0.00 176.54 176.86 2kdb h LYS 28 N -0.17 0.57 -0.16 4.80 6.56 -1.78 -0.27 116.57 126.13 2kdb h LYS 28 Ca -0.00 -0.14 -0.14 0.00 -1.06 0.00 0.00 60.65 59.30 2kdb h LYS 28 Cb 0.15 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 2kdb h LYS 28 CO 0.01 0.62 -0.46 1.25 -2.06 0.00 0.00 179.45 178.81 2kdb h LEU 29 N 0.54 0.68 -1.52 2.94 7.12 -1.34 -2.38 115.31 121.35 2kdb h LEU 29 Ca 0.11 -0.59 -0.05 0.00 0.13 0.00 0.00 57.88 57.49 2kdb h LEU 29 Cb 0.39 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 2kdb h LEU 29 CO 0.02 1.15 -0.23 0.50 -0.13 0.00 0.00 178.44 179.74 2kdb h LYS 30 N 0.25 0.00 -0.17 1.25 3.64 -0.73 0.14 116.57 120.95 2kdb h LYS 30 Ca -0.01 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2kdb h LYS 30 Cb 1.07 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2kdb h LYS 30 CO 0.10 0.23 -0.13 1.15 -2.27 0.00 0.00 179.45 178.54 2kdb h THR 31 N 0.00 1.33 -0.52 1.00 2.02 -1.02 -1.62 112.91 114.09 2kdb h THR 31 Ca -0.00 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 65.97 2kdb h THR 31 Cb 0.53 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 2kdb h THR 31 CO 0.03 0.37 0.35 -0.74 0.37 0.00 0.00 175.52 175.90 2kdb h HIS 32 N 0.06 0.58 -0.20 3.16 -0.00 -0.80 -2.37 115.15 115.57 2kdb h HIS 32 Ca 0.03 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.38 2kdb h HIS 32 Cb 0.64 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 2kdb h HIS 32 CO 0.07 0.34 -0.02 -0.07 -0.00 0.00 0.00 177.93 178.26 2kdb h LEU 33 N 0.60 0.35 -1.50 0.26 3.38 -0.61 -2.39 115.31 115.41 2kdb h LEU 33 Ca 0.21 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2kdb h LEU 33 Cb 0.09 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2kdb h LEU 33 CO -0.05 0.60 0.43 -1.28 0.09 0.00 0.00 178.44 178.22 2kdb h SER 34 N 0.10 0.53 -0.06 -0.43 0.87 -0.79 0.19 113.55 113.96 2kdb h SER 34 Ca 0.05 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 2kdb h SER 34 Cb 0.43 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2kdb h SER 34 CO 0.01 0.33 -0.17 0.78 -0.53 0.00 0.00 176.83 177.26 2kdb h ASN 35 N 0.60 0.25 1.23 6.23 2.35 -1.39 -3.35 115.58 121.49 2kdb h ASN 35 Ca 0.29 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2kdb h ASN 35 Cb 0.36 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2kdb h ASN 35 CO -0.09 0.81 -0.52 -0.37 -1.65 0.00 0.00 177.43 175.61 2kdb h VAL 36 N -0.30 0.00 -3.43 2.81 -1.51 -0.94 -3.45 116.25 109.44 2kdb h VAL 36 Ca -0.00 -0.75 -0.59 0.00 -1.23 0.00 0.00 66.70 64.12 2kdb h VAL 36 Cb 0.79 1.45 -0.09 0.00 -2.13 0.00 0.00 31.29 31.31 2kdb h VAL 36 CO 0.04 0.00 0.56 -0.47 -1.23 0.00 0.00 177.57 176.47 2kdb s TYR 37 N -3.23 3.15 0.50 5.19 5.04 0.62 -4.95 117.35 123.67 2kdb s TYR 37 Ca 0.05 0.87 0.36 0.00 -2.44 0.00 0.00 57.07 55.92 2kdb s TYR 37 Cb 0.10 -3.47 1.92 0.00 0.35 0.00 0.00 41.96 40.86 2kdb s TYR 37 CO 0.71 -0.70 2.22 -1.00 -1.34 0.00 0.00 175.55 175.44 2kdb h PRO 38 N 8.24 0.00 0.00 4.97 0.13 -1.88 -1.01 132.00 142.45 2kdb h PRO 38 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 2kdb h PRO 38 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2kdb h PRO 38 CO 0.95 0.03 -0.06 1.03 -0.23 0.00 0.00 178.00 179.72 2kdb h SER 39 N 0.00 0.00 -5.43 1.44 0.87 -1.92 -3.48 113.55 105.03 2kdb h SER 39 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2kdb h SER 39 Cb 0.17 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2kdb h SER 39 CO 0.00 0.06 -0.11 0.29 -0.53 0.00 0.00 176.83 176.54 2kdb n LYS 40 N -3.16 -1.40 -3.09 2.24 4.76 -0.38 -5.00 118.16 112.13 2kdb n LYS 40 Ca 0.01 1.42 -0.39 0.00 -2.87 0.00 0.00 58.31 56.47 2kdb n LYS 40 Cb 0.39 -5.65 -0.05 0.00 -1.84 0.00 0.00 35.03 27.88 2kdb n LYS 40 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kdb s PRO 41 N -3.20 4.41 0.06 1.97 0.04 -1.26 -5.04 135.00 131.98 2kdb s PRO 41 Ca 0.04 0.89 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 2kdb s PRO 41 Cb -0.01 -3.37 -0.08 0.00 0.04 0.00 0.00 34.50 31.09 2kdb s PRO 41 CO 0.75 0.28 1.56 -0.51 0.04 0.00 0.00 177.00 179.12 2kdb s LEU 42 N 0.04 4.35 0.39 -3.56 1.43 -1.26 -4.62 118.68 115.45 2kdb s LEU 42 Ca 0.35 2.38 0.08 0.00 -1.03 0.00 0.00 54.13 55.92 2kdb s LEU 42 Cb -0.19 -3.57 0.84 0.00 0.03 0.00 0.00 46.19 43.30 2kdb s LEU 42 CO 0.20 -0.82 1.97 0.71 0.23 0.00 0.00 176.35 178.63 2kdb h THR 43 N 4.74 0.98 0.00 5.49 1.35 -1.89 -0.41 112.91 123.17 2kdb h THR 43 Ca -0.41 -0.22 -0.06 0.00 -0.55 0.00 0.00 66.41 65.17 2kdb h THR 43 Cb 1.20 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 2kdb h THR 43 CO 0.92 0.12 -0.29 0.07 -0.25 0.00 0.00 175.52 176.08 2kdb h LYS 44 N 0.63 0.00 -0.59 4.72 2.10 -1.98 -2.72 116.57 118.73 2kdb h LYS 44 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 2kdb h LYS 44 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2kdb h LYS 44 CO -0.09 0.29 0.00 -0.25 -2.00 0.00 0.00 179.45 177.40 2kdb n ASP 45 N -3.84 3.59 -4.13 7.07 8.00 -0.21 -4.88 116.55 122.15 2kdb n ASP 45 Ca -0.01 -1.99 -0.28 0.00 0.71 0.00 0.00 54.79 53.21 2kdb n ASP 45 Cb 0.38 -0.39 -0.17 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.21 2.29 0.01 -1.24 -1.52 -0.94 -4.87 119.66 112.17 2kdb s GLN 46 Ca 0.44 -0.66 0.08 0.00 -1.95 0.00 0.00 55.36 53.27 2kdb s GLN 46 Cb 0.24 -1.82 -0.03 0.00 -0.22 0.00 0.00 33.01 31.18 2kdb s GLN 46 CO 0.32 0.14 -0.23 1.03 -0.25 0.00 0.00 175.29 176.30 2kdb s ARG 47 N 0.38 2.04 -0.11 2.91 0.52 -1.26 -4.88 118.95 118.55 2kdb s ARG 47 Ca -0.14 -0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 53.97 2kdb s ARG 47 Cb -0.16 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.17 2kdb s ARG 47 CO 0.06 0.55 0.28 -0.51 0.02 0.00 0.00 175.30 175.69 2kdb s LEU 48 N -1.02 4.34 -0.12 2.53 1.43 -1.26 -1.18 118.68 123.41 2kdb s LEU 48 Ca 0.12 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 2kdb s LEU 48 Cb -0.10 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.80 2kdb s LEU 48 CO 0.02 0.24 -0.10 -0.69 0.23 0.00 0.00 176.35 176.04 2kdb s VAL 49 N -0.31 1.21 -0.83 -1.59 1.01 -0.30 -0.61 120.40 118.99 2kdb s VAL 49 Ca 0.18 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 2kdb s VAL 49 Cb -0.14 -1.18 0.18 0.00 0.00 0.00 0.00 36.38 35.25 2kdb s VAL 49 CO 0.06 0.40 0.85 -0.47 0.00 0.00 0.00 175.10 175.94 2kdb s TYR 50 N 1.50 3.51 0.00 5.22 5.04 -0.08 -0.82 117.35 131.72 2kdb s TYR 50 Ca 0.02 -1.73 0.00 0.00 -2.44 0.00 0.00 57.07 52.93 2kdb s TYR 50 Cb -0.13 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.22 2kdb s TYR 50 CO -0.07 -1.15 0.00 0.43 -1.34 0.00 0.00 175.55 173.42 2kdb n SER 51 N 4.90 -4.65 0.00 4.32 7.64 -1.24 -2.39 113.62 122.20 2kdb n SER 51 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2kdb n SER 51 Cb 0.47 -2.98 0.00 0.00 -1.01 0.00 0.00 64.21 60.69 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 0.08 3.01 3.90 0.23 0.00 -1.26 -5.15 105.19 105.99 2kdb n GLY 52 Ca 0.00 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 3.52 0.22 1.61 1.70 -1.00 -5.07 118.95 119.92 2kdb s ARG 53 Ca 0.00 0.28 -0.18 0.00 -0.47 0.00 0.00 55.73 55.36 2kdb s ARG 53 Cb 0.00 -2.32 -0.08 0.00 -0.57 0.00 0.00 34.95 31.98 2kdb s ARG 53 CO 0.00 -0.29 0.69 -1.17 -1.08 0.00 0.00 175.30 173.45 2kdb s LEU 54 N -4.83 4.32 -0.49 -1.89 2.96 -1.26 -0.91 118.68 116.57 2kdb s LEU 54 Ca 0.49 1.34 -0.00 0.00 -0.22 0.00 0.00 54.13 55.74 2kdb s LEU 54 Cb -0.10 -3.57 0.13 0.00 0.50 0.00 0.00 46.19 43.15 2kdb s LEU 54 CO 0.46 0.02 0.27 -0.76 -1.32 0.00 0.00 176.35 175.03 2kdb s LEU 55 N -2.07 4.94 0.47 -0.68 1.43 0.22 -4.82 118.68 118.18 2kdb s LEU 55 Ca 0.43 -2.56 -0.21 0.00 -1.03 0.00 0.00 54.13 50.76 2kdb s LEU 55 Cb -0.16 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.22 2kdb s LEU 55 CO 0.20 -0.38 1.07 -2.16 0.23 0.00 0.00 176.35 175.31 2kdb s PRO 56 N 0.37 3.82 0.13 1.29 0.04 -1.26 -4.06 135.00 135.32 2kdb s PRO 56 Ca 0.14 1.50 0.18 0.00 0.04 0.00 0.00 61.00 62.85 2kdb s PRO 56 Cb -0.22 -2.24 0.76 0.00 0.04 0.00 0.00 34.50 32.84 2kdb s PRO 56 CO -0.04 -0.44 1.55 -0.40 0.04 0.00 0.00 177.00 177.72 2kdb n ASP 57 N -0.72 0.32 0.21 6.66 5.75 -1.26 -3.12 116.55 124.39 2kdb n ASP 57 Ca 0.08 0.59 0.11 0.00 -0.01 0.00 0.00 54.79 55.56 2kdb n ASP 57 Cb 0.51 -0.65 0.15 0.00 -1.03 0.00 0.00 41.12 40.10 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 0.00 -1.90 2.11 2.07 -1.96 -2.88 115.15 112.59 2kdb h HIS 58 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 2kdb h HIS 58 Cb 0.26 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.21 2kdb h HIS 58 CO 0.00 0.05 -0.44 -0.48 -3.07 0.00 0.00 177.93 173.99 2kdb s LEU 59 N -6.23 3.71 0.25 6.12 0.05 -1.18 -4.98 118.68 116.42 2kdb s LEU 59 Ca 0.07 -0.39 -0.11 0.00 0.05 0.00 0.00 54.13 53.75 2kdb s LEU 59 Cb 0.05 -2.34 -0.08 0.00 -2.05 0.00 0.00 46.19 41.78 2kdb s LEU 59 CO 0.68 -0.31 0.59 -1.10 -0.55 0.00 0.00 176.35 175.66 2kdb s GLN 60 N -4.00 3.85 0.19 1.48 1.11 -1.26 -1.74 119.66 119.28 2kdb s GLN 60 Ca 0.40 0.36 -0.12 0.00 0.01 0.00 0.00 55.36 56.02 2kdb s GLN 60 Cb -0.07 -2.60 0.18 0.00 -1.01 0.00 0.00 33.01 29.51 2kdb s GLN 60 CO 0.27 0.28 1.77 -0.07 0.01 0.00 0.00 175.29 177.56 2kdb h LEU 61 N 2.49 0.32 -1.04 2.90 3.38 -1.54 -2.85 115.31 118.96 2kdb h LEU 61 Ca -0.47 0.04 0.25 0.00 0.09 0.00 0.00 57.88 57.80 2kdb h LEU 61 Cb 1.17 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.79 2kdb h LEU 61 CO 0.68 0.22 0.60 0.07 0.09 0.00 0.00 178.44 180.10 2kdb h LYS 62 N 0.47 0.53 -0.49 1.13 5.09 -1.78 -1.03 116.57 120.50 2kdb h LYS 62 Ca 0.25 -0.03 0.07 0.00 0.09 0.00 0.00 60.65 61.03 2kdb h LYS 62 Cb 0.21 -0.12 -0.03 0.00 0.10 0.00 0.00 32.23 32.39 2kdb h LYS 62 CO -0.21 0.35 0.33 0.22 -2.09 0.00 0.00 179.45 178.06 2kdb h ASP 63 N 0.55 0.34 0.00 7.07 3.58 -1.84 -1.50 116.42 124.63 2kdb h ASP 63 Ca 0.65 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.85 2kdb h ASP 63 Cb 1.28 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 42.21 2kdb h ASP 63 CO -0.46 0.22 -1.94 -0.38 -2.88 0.00 0.00 179.24 173.80 2kdb n ILE 64 N -4.47 0.94 -0.47 2.25 -0.00 -0.89 -4.67 119.36 112.06 2kdb n ILE 64 Ca 0.07 -0.56 0.10 0.00 -0.00 0.00 0.00 62.75 62.36 2kdb n ILE 64 Cb 0.28 -0.68 0.31 0.00 -0.00 0.00 0.00 39.64 39.55 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 -2.55 4.15 0.10 1.39 4.77 -0.44 -3.92 117.00 120.50 2kdb n LEU 65 Ca -0.23 -2.20 0.13 0.00 -0.03 0.00 0.00 56.01 53.68 2kdb n LEU 65 Cb 0.93 -0.49 0.44 0.00 -2.33 0.00 0.00 43.42 41.97 2kdb n LEU 65 CO 0.28 0.88 0.89 -2.11 -1.33 0.00 0.00 177.39 176.00 2kdb n ARG 66 N 1.25 0.23 0.05 3.23 1.85 -0.60 -2.44 116.66 120.22 2kdb n ARG 66 Ca 0.23 0.23 -0.02 0.00 -1.00 0.00 0.00 57.85 57.30 2kdb n ARG 66 Cb 0.71 -1.79 -0.01 0.00 -1.05 0.00 0.00 32.46 30.32 2kdb n ARG 66 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2kdb h LYS 67 N 0.00 -0.13 0.00 2.89 1.57 -1.86 -3.33 116.57 115.70 2kdb h LYS 67 Ca 0.00 0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 2kdb h LYS 67 Cb 0.65 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 2kdb h LYS 67 CO 0.00 -0.09 -0.92 1.96 -0.57 0.00 0.00 179.45 179.83 2kdb h GLN 68 N -0.18 0.00 0.00 3.15 4.20 -1.86 -3.48 115.11 116.94 2kdb h GLN 68 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2kdb h GLN 68 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2kdb h GLN 68 CO 0.02 0.92 0.00 -3.47 -0.67 0.00 0.00 178.83 175.63 2kdb n ASP 69 N -3.44 0.00 0.00 1.46 2.03 -1.02 -4.47 116.55 111.12 2kdb n ASP 69 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kdb n ASP 69 Cb 0.87 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 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 -3.17 -0.67 4.07 -1.26 -4.56 120.64 115.05 2kdb n GLU 70 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 2kdb n GLU 70 Cb 0.00 -0.31 -0.06 0.00 -0.06 0.00 0.00 31.44 31.02 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 -0.01 3.74 -0.24 4.31 1.13 -1.25 -0.68 117.35 124.34 2kdb s TYR 71 Ca 0.00 1.35 -0.03 0.00 -1.41 0.00 0.00 57.07 56.98 2kdb s TYR 71 Cb 0.00 -2.57 0.11 0.00 -1.10 0.00 0.00 41.96 38.40 2kdb s TYR 71 CO 0.00 0.46 0.26 -1.01 -2.51 0.00 0.00 175.55 172.75 2kdb s HIS 72 N -1.33 -0.36 -0.74 -3.49 3.76 -0.39 -4.76 115.29 107.98 2kdb s HIS 72 Ca 0.37 0.09 -0.26 0.00 -0.15 0.00 0.00 55.06 55.11 2kdb s HIS 72 Cb -0.18 -0.39 0.01 0.00 1.11 0.00 0.00 32.58 33.13 2kdb s HIS 72 CO 0.21 -0.74 1.54 0.00 -0.85 0.00 0.00 174.74 174.90 2kdb s MET 73 N 2.35 3.00 -0.20 1.40 0.23 -1.26 -0.62 119.30 124.21 2kdb s MET 73 Ca 0.08 -0.06 -0.01 0.00 -1.03 0.00 0.00 55.69 54.67 2kdb s MET 73 Cb -0.15 -4.44 0.01 0.00 -1.53 0.00 0.00 34.83 28.71 2kdb s MET 73 CO -0.21 -2.44 -0.13 0.08 -2.03 0.00 0.00 175.02 170.30 2kdb s VAL 74 N 7.08 2.69 -0.21 5.16 1.01 -0.14 -3.72 120.40 132.27 2kdb s VAL 74 Ca 0.49 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.48 2kdb s VAL 74 Cb -0.09 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 2kdb s VAL 74 CO 0.13 0.49 0.90 -2.28 0.00 0.00 0.00 175.10 174.34 2kdb s HIS 75 N 1.35 3.36 0.42 5.22 2.46 0.00 -1.38 115.29 126.72 2kdb s HIS 75 Ca 0.05 1.30 -0.25 0.00 0.47 0.00 0.00 55.06 56.63 2kdb s HIS 75 Cb -0.14 -3.11 -0.08 0.00 -0.13 0.00 0.00 32.58 29.12 2kdb s HIS 75 CO -0.08 -0.37 1.17 -0.51 -2.47 0.00 0.00 174.74 172.48 2kdb s LEU 76 N 2.70 4.14 0.00 8.88 1.43 0.22 -1.15 118.68 134.90 2kdb s LEU 76 Ca 0.39 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 2kdb s LEU 76 Cb -0.16 -4.08 0.00 0.00 0.03 0.00 0.00 46.19 41.98 2kdb s LEU 76 CO 0.09 -0.74 0.34 0.52 0.23 0.00 0.00 176.35 176.79