#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 5.15 -0.45 -1.45 1.01 0.10 -4.84 120.40 119.93 2kdb s VAL 2 Ca 0.00 1.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 2kdb s VAL 2 Cb 0.00 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2kdb s VAL 2 CO 0.00 0.30 1.37 -0.89 0.00 0.00 0.00 175.10 175.88 2kdb s THR 3 N 0.71 3.93 -0.56 3.92 2.01 -0.02 -1.35 115.64 124.28 2kdb s THR 3 Ca 0.29 0.93 -0.15 0.00 0.31 0.00 0.00 61.69 63.06 2kdb s THR 3 Cb -0.16 -4.32 0.14 0.00 0.01 0.00 0.00 72.50 68.18 2kdb s THR 3 CO 0.12 -0.88 0.50 -0.22 -0.69 0.00 0.00 174.62 173.46 2kdb s LEU 4 N 5.39 6.17 -0.80 4.42 2.96 -0.38 -2.10 118.68 134.33 2kdb s LEU 4 Ca 0.57 -1.90 -0.25 0.00 -0.22 0.00 0.00 54.13 52.33 2kdb s LEU 4 Cb -0.12 -2.18 0.05 0.00 0.50 0.00 0.00 46.19 44.44 2kdb s LEU 4 CO 0.31 -0.80 1.27 -0.63 -1.32 0.00 0.00 176.35 175.17 2kdb s ILE 5 N 1.41 3.91 -0.32 6.68 1.01 -0.06 -1.33 121.20 132.50 2kdb s ILE 5 Ca 0.05 -0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.36 2kdb s ILE 5 Cb -0.27 -4.91 0.01 0.00 0.01 0.00 0.00 42.46 37.29 2kdb s ILE 5 CO 0.01 -1.80 0.94 -0.63 0.00 0.00 0.00 174.94 173.46 2kdb s ILE 6 N 5.16 4.64 -0.18 2.92 -1.09 -0.27 -1.02 121.20 131.35 2kdb s ILE 6 Ca 0.36 1.44 -0.03 0.00 -2.23 0.00 0.00 60.65 60.19 2kdb s ILE 6 Cb -0.07 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.50 2kdb s ILE 6 CO 0.07 -0.39 -0.06 -0.54 -1.23 0.00 0.00 174.94 172.79 2kdb s LYS 7 N 3.34 3.46 0.41 2.79 1.02 -0.24 -0.97 119.74 129.54 2kdb s LYS 7 Ca 0.39 -0.61 -0.25 0.00 0.02 0.00 0.00 55.97 55.52 2kdb s LYS 7 Cb -0.13 -2.90 -0.08 0.00 -0.52 0.00 0.00 37.83 34.19 2kdb s LYS 7 CO 0.14 0.01 1.24 0.00 -0.92 0.00 0.00 175.35 175.82 2kdb s ALA 8 N 0.93 3.19 0.31 5.17 0.00 -1.26 -1.50 121.76 128.61 2kdb s ALA 8 Ca -0.01 1.10 0.10 0.00 0.00 0.00 0.00 51.96 53.15 2kdb s ALA 8 Cb -0.15 -3.44 0.51 0.00 0.00 0.00 0.00 23.12 20.05 2kdb s ALA 8 CO 0.01 -0.69 1.71 -1.00 0.00 0.00 0.00 175.76 175.79 2kdb h PRO 9 N 2.62 0.09 -0.03 0.00 0.13 -1.91 -1.21 132.00 131.70 2kdb h PRO 9 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2kdb h PRO 9 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kdb h PRO 9 CO 0.62 0.54 0.00 -1.71 -0.23 0.00 0.00 178.00 177.22 2kdb n ASN 10 N -3.98 1.65 -1.79 1.44 5.15 -1.26 -4.93 115.26 111.54 2kdb n ASN 10 Ca -0.02 -1.56 -0.18 0.00 -0.60 0.00 0.00 54.58 52.22 2kdb n ASN 10 Cb 0.50 -0.01 -0.04 0.00 -0.53 0.00 0.00 39.78 39.70 2kdb n ASN 10 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2kdb n GLN 11 N 0.30 -1.38 -0.04 1.20 7.27 -0.46 -4.91 117.38 119.35 2kdb n GLN 11 Ca 0.18 1.01 -0.13 0.00 0.07 0.00 0.00 57.00 58.14 2kdb n GLN 11 Cb 0.38 -5.42 -0.08 0.00 2.41 0.00 0.00 30.24 27.53 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 0.00 0.22 -6.56 3.69 3.64 -1.92 -3.44 116.57 112.21 2kdb h LYS 12 Ca -0.41 -0.10 -0.49 0.00 -1.27 0.00 0.00 60.65 58.38 2kdb h LYS 12 Cb 1.27 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2kdb h LYS 12 CO 0.53 0.58 -0.15 0.71 -2.27 0.00 0.00 179.45 178.86 2kdb s TYR 13 N -4.54 3.50 0.71 1.91 1.51 -1.26 -5.09 117.35 114.10 2kdb s TYR 13 Ca -0.15 0.47 -0.08 0.00 -1.01 0.00 0.00 57.07 56.30 2kdb s TYR 13 Cb 0.04 -1.99 0.16 0.00 -0.11 0.00 0.00 41.96 40.06 2kdb s TYR 13 CO 0.72 0.09 0.97 0.45 -1.11 0.00 0.00 175.55 176.66 2kdb n SER 14 N -1.65 0.52 -4.56 2.29 2.88 -1.26 -4.12 113.62 107.71 2kdb n SER 14 Ca -0.03 -1.62 -0.41 0.00 -1.33 0.00 0.00 58.87 55.47 2kdb n SER 14 Cb 0.55 -0.70 -0.03 0.00 -0.75 0.00 0.00 64.21 63.29 2kdb n SER 14 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2kdb s ASP 15 N -4.69 6.09 -0.37 -3.46 -4.77 -1.26 -4.35 116.67 103.85 2kdb s ASP 15 Ca 0.58 -0.02 -0.18 0.00 -3.30 0.00 0.00 52.55 49.64 2kdb s ASP 15 Cb -0.02 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 2kdb s ASP 15 CO 0.40 -1.81 0.49 -1.10 0.70 0.00 0.00 175.17 173.86 2kdb s GLN 16 N 5.70 3.51 -0.77 2.11 -1.52 -0.14 -4.85 119.66 123.70 2kdb s GLN 16 Ca 0.46 -0.30 -0.26 0.00 -1.95 0.00 0.00 55.36 53.31 2kdb s GLN 16 Cb -0.09 -3.84 0.02 0.00 -0.22 0.00 0.00 33.01 28.88 2kdb s GLN 16 CO 0.21 -0.69 1.42 0.95 -0.25 0.00 0.00 175.29 176.93 2kdb s THR 17 N 2.35 3.68 -0.54 -0.19 -4.23 -1.26 -1.11 115.64 114.33 2kdb s THR 17 Ca 0.17 0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.67 2kdb s THR 17 Cb -0.16 -4.75 0.08 0.00 1.34 0.00 0.00 72.50 69.01 2kdb s THR 17 CO 0.14 -1.68 0.64 -0.63 -0.54 0.00 0.00 174.62 172.54 2kdb s ILE 18 N 6.33 4.88 -0.69 2.99 -1.09 -0.44 -4.87 121.20 128.30 2kdb s ILE 18 Ca 0.43 -0.77 -0.26 0.00 -2.23 0.00 0.00 60.65 57.82 2kdb s ILE 18 Cb -0.08 -4.37 -0.00 0.00 -1.58 0.00 0.00 42.46 36.43 2kdb s ILE 18 CO 0.12 -0.93 1.64 -0.94 -1.23 0.00 0.00 174.94 173.60 2kdb s SER 19 N 3.11 5.63 0.29 3.58 1.04 -1.26 -1.25 113.70 124.83 2kdb s SER 19 Ca 0.12 -0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 2kdb s SER 19 Cb -0.22 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.34 2kdb s SER 19 CO 0.09 -2.18 0.35 0.00 0.98 0.00 0.00 173.24 172.48 2kdb s PHE 21 N -3.57 3.54 -1.14 0.00 0.40 -1.26 -0.72 117.98 115.23 2kdb s PHE 21 Ca 0.34 0.34 0.29 0.00 -0.60 0.00 0.00 56.93 57.30 2kdb s PHE 21 Cb 0.02 -1.82 1.32 0.00 0.51 0.00 0.00 43.02 43.06 2kdb s PHE 21 CO 0.18 0.64 1.96 1.28 0.70 0.00 0.00 175.22 179.98 2kdb n LEU 22 N 0.84 0.01 -0.16 -0.37 4.77 -1.26 -3.93 117.00 116.90 2kdb n LEU 22 Ca -0.10 0.42 -0.04 0.00 -0.03 0.00 0.00 56.01 56.26 2kdb n LEU 22 Cb 0.52 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2kdb n LEU 22 CO 0.45 0.00 0.99 -1.13 -1.33 0.00 0.00 177.39 176.38 2kdb h ASN 23 N 0.01 0.27 -4.43 -1.43 -1.24 -1.98 -3.05 115.58 103.73 2kdb h ASN 23 Ca 0.00 0.04 -0.48 0.00 0.71 0.00 0.00 56.30 56.57 2kdb h ASN 23 Cb 0.43 -0.00 0.10 0.00 0.73 0.00 0.00 38.32 39.58 2kdb h ASN 23 CO 0.00 0.19 0.37 0.26 -1.29 0.00 0.00 177.43 176.96 2kdb s TRP 24 N -6.13 2.95 0.81 0.67 0.51 -1.25 -4.80 118.94 111.69 2kdb s TRP 24 Ca -0.13 0.95 -0.12 0.00 -2.12 0.00 0.00 56.10 54.68 2kdb s TRP 24 Cb 0.14 -3.26 0.08 0.00 -0.81 0.00 0.00 33.47 29.61 2kdb s TRP 24 CO 0.73 -1.72 1.16 0.95 -0.51 0.00 0.00 176.95 177.56 2kdb s THR 25 N -3.36 2.29 0.32 2.01 -4.23 -1.26 -2.65 115.64 108.76 2kdb s THR 25 Ca 0.61 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 2kdb s THR 25 Cb -0.13 -3.04 0.27 0.00 1.34 0.00 0.00 72.50 70.94 2kdb s THR 25 CO 0.52 -0.12 1.96 0.58 -0.54 0.00 0.00 174.62 177.01 2kdb h VAL 26 N -1.06 1.14 -0.37 2.29 2.07 -1.67 -1.77 116.25 116.89 2kdb h VAL 26 Ca -0.47 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 2kdb h VAL 26 Cb 1.31 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2kdb h VAL 26 CO 0.65 0.18 -0.04 1.23 0.02 0.00 0.00 177.57 179.61 2kdb h GLY 27 N 1.01 0.73 1.48 2.17 0.00 -1.86 -0.48 103.07 106.11 2kdb h GLY 27 Ca 0.31 -0.57 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 2kdb h GLY 27 CO -0.09 0.52 -0.54 0.50 0.00 0.00 0.00 176.54 176.93 2kdb h LYS 28 N 0.48 0.55 -0.39 4.80 1.57 -1.86 -2.20 116.57 119.52 2kdb h LYS 28 Ca 0.10 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.41 2kdb h LYS 28 Cb 0.53 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2kdb h LYS 28 CO 0.03 0.95 -0.28 1.25 -0.57 0.00 0.00 179.45 180.83 2kdb h LEU 29 N 0.42 0.84 -1.27 2.94 7.12 -1.32 -2.61 115.31 121.44 2kdb h LEU 29 Ca 0.01 -0.33 -0.05 0.00 0.13 0.00 0.00 57.88 57.64 2kdb h LEU 29 Cb 1.08 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.96 2kdb h LEU 29 CO 0.10 1.07 -0.02 0.50 -0.13 0.00 0.00 178.44 179.96 2kdb h LYS 30 N 0.70 0.48 -0.37 1.25 3.64 -0.85 0.14 116.57 121.56 2kdb h LYS 30 Ca 0.08 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2kdb h LYS 30 Cb 0.82 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2kdb h LYS 30 CO 0.07 0.52 -0.09 1.15 -2.27 0.00 0.00 179.45 178.83 2kdb h THR 31 N 0.46 1.28 -0.96 1.00 2.02 -1.32 -1.43 112.91 113.95 2kdb h THR 31 Ca 0.10 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 66.15 2kdb h THR 31 Cb 0.33 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 2kdb h THR 31 CO 0.01 0.38 0.62 -0.74 0.37 0.00 0.00 175.52 176.17 2kdb h HIS 32 N 0.50 1.17 0.10 3.16 -0.00 -0.95 -1.59 115.15 117.55 2kdb h HIS 32 Ca 0.09 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 2kdb h HIS 32 Cb 0.60 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2kdb h HIS 32 CO 0.05 0.68 -0.05 -0.07 -0.00 0.00 0.00 177.93 178.54 2kdb h LEU 33 N 1.21 -0.12 -2.35 0.26 3.38 -0.58 -0.89 115.31 116.23 2kdb h LEU 33 Ca 0.38 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.27 2kdb h LEU 33 Cb -0.01 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2kdb h LEU 33 CO -0.12 0.03 0.09 -1.28 0.09 0.00 0.00 178.44 177.25 2kdb h SER 34 N -0.26 0.00 0.46 -0.43 0.87 -1.00 0.29 113.55 113.48 2kdb h SER 34 Ca -0.01 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.24 2kdb h SER 34 Cb 0.21 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2kdb h SER 34 CO 0.02 0.00 -1.51 -1.13 -0.53 0.00 0.00 176.83 173.68 2kdb h ASN 35 N 0.00 0.41 -0.01 6.23 -0.73 -0.77 -3.39 115.58 117.32 2kdb h ASN 35 Ca 0.04 -0.55 0.00 0.00 1.87 0.00 0.00 56.30 57.66 2kdb h ASN 35 Cb 0.22 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2kdb h ASN 35 CO -0.00 1.45 -0.51 1.33 -0.37 0.00 0.00 177.43 179.33 2kdb n VAL 36 N -3.47 0.00 -3.22 2.57 0.24 -0.38 -4.98 118.33 109.09 2kdb n VAL 36 Ca -0.16 -0.24 -0.39 0.00 -2.04 0.00 0.00 64.34 61.51 2kdb n VAL 36 Cb 1.04 1.13 -0.06 0.00 -1.47 0.00 0.00 33.84 34.49 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 -2.21 3.75 0.39 6.34 5.04 0.93 -4.99 117.35 126.60 2kdb s TYR 37 Ca 0.11 1.26 0.06 0.00 -2.44 0.00 0.00 57.07 56.07 2kdb s TYR 37 Cb 0.13 -2.57 0.78 0.00 0.35 0.00 0.00 41.96 40.66 2kdb s TYR 37 CO 0.52 0.47 2.01 -1.00 -1.34 0.00 0.00 175.55 176.21 2kdb h PRO 38 N 5.07 0.54 -0.23 4.97 0.13 -1.93 -2.43 132.00 138.11 2kdb h PRO 38 Ca -0.47 -0.05 -0.20 0.00 -0.87 0.00 0.00 66.00 64.40 2kdb h PRO 38 Cb 1.21 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kdb h PRO 38 CO 0.67 0.42 -0.63 1.03 -0.23 0.00 0.00 178.00 179.25 2kdb h SER 39 N 0.55 0.94 -5.56 1.44 0.87 -1.95 -3.49 113.55 106.35 2kdb h SER 39 Ca 0.14 -0.55 -0.08 0.00 -1.23 0.00 0.00 61.79 60.07 2kdb h SER 39 Cb 0.05 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2kdb h SER 39 CO -0.02 1.34 -0.51 0.29 -0.53 0.00 0.00 176.83 177.40 2kdb n LYS 40 N -3.98 -2.02 -3.22 2.24 5.02 -0.92 -5.02 118.16 110.27 2kdb n LYS 40 Ca -0.05 1.80 -0.34 0.00 -2.02 0.00 0.00 58.31 57.70 2kdb n LYS 40 Cb 0.67 -5.03 -0.06 0.00 -0.02 0.00 0.00 35.03 30.60 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 -2.82 4.04 0.02 1.97 0.04 -1.26 -5.04 135.00 131.95 2kdb s PRO 41 Ca 0.19 0.62 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 2kdb s PRO 41 Cb -0.04 -2.72 -0.07 0.00 0.04 0.00 0.00 34.50 31.70 2kdb s PRO 41 CO 0.79 0.33 1.63 -0.51 0.04 0.00 0.00 177.00 179.27 2kdb s LEU 42 N -2.40 4.35 0.49 -3.56 1.43 -1.26 -4.67 118.68 113.06 2kdb s LEU 42 Ca 0.46 2.37 0.20 0.00 -1.03 0.00 0.00 54.13 56.13 2kdb s LEU 42 Cb -0.13 -3.55 1.24 0.00 0.03 0.00 0.00 46.19 43.77 2kdb s LEU 42 CO 0.19 -0.88 2.05 0.71 0.23 0.00 0.00 176.35 178.66 2kdb h THR 43 N 5.06 0.89 0.00 5.49 1.35 -1.91 -1.92 112.91 121.87 2kdb h THR 43 Ca -0.41 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 2kdb h THR 43 Cb 1.19 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2kdb h THR 43 CO 0.93 0.14 0.00 0.07 -0.25 0.00 0.00 175.52 176.41 2kdb h LYS 44 N 0.00 0.00 0.04 4.72 5.09 -1.99 -3.10 116.57 121.33 2kdb h LYS 44 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 60.65 60.36 2kdb h LYS 44 Cb 0.28 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.56 2kdb h LYS 44 CO 0.02 0.00 -2.17 -0.25 -2.09 0.00 0.00 179.45 174.96 2kdb n ASP 45 N -2.41 2.01 -4.72 7.07 8.00 -0.77 -4.99 116.55 120.73 2kdb n ASP 45 Ca 0.03 0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 2kdb n ASP 45 Cb 0.31 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.68 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 -2.51 4.24 -0.08 -1.24 -1.52 -0.89 -4.99 119.66 112.68 2kdb s GLN 46 Ca -0.31 2.30 0.00 0.00 -1.95 0.00 0.00 55.36 55.41 2kdb s GLN 46 Cb 0.09 -3.16 0.02 0.00 -0.22 0.00 0.00 33.01 29.74 2kdb s GLN 46 CO 0.64 -0.54 -0.07 1.03 -0.25 0.00 0.00 175.29 176.10 2kdb s ARG 47 N 0.83 1.27 -0.45 2.91 1.81 -0.74 -4.92 118.95 119.66 2kdb s ARG 47 Ca 0.67 -0.20 -0.28 0.00 -1.72 0.00 0.00 55.73 54.19 2kdb s ARG 47 Cb -0.42 -1.28 0.03 0.00 -0.45 0.00 0.00 34.95 32.82 2kdb s ARG 47 CO 0.33 -0.16 1.09 -0.51 -0.68 0.00 0.00 175.30 175.37 2kdb s LEU 48 N 1.32 3.74 -0.35 2.53 1.02 -1.26 -1.46 118.68 124.22 2kdb s LEU 48 Ca -0.03 0.48 -0.06 0.00 0.02 0.00 0.00 54.13 54.54 2kdb s LEU 48 Cb -0.14 -3.48 0.05 0.00 0.02 0.00 0.00 46.19 42.64 2kdb s LEU 48 CO -0.03 -1.16 0.12 -0.69 0.02 0.00 0.00 176.35 174.60 2kdb s VAL 49 N 4.22 3.66 -0.62 -1.59 1.01 -0.34 -0.63 120.40 126.10 2kdb s VAL 49 Ca 0.46 -1.30 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 2kdb s VAL 49 Cb -0.08 -3.14 0.15 0.00 0.00 0.00 0.00 36.38 33.30 2kdb s VAL 49 CO 0.29 -0.26 0.60 -0.47 0.00 0.00 0.00 175.10 175.26 2kdb s TYR 50 N 1.35 3.33 -2.01 5.22 5.04 0.11 -0.92 117.35 129.47 2kdb s TYR 50 Ca -0.01 -1.41 0.00 0.00 -2.44 0.00 0.00 57.07 53.22 2kdb s TYR 50 Cb -0.20 -3.85 0.00 0.00 0.35 0.00 0.00 41.96 38.26 2kdb s TYR 50 CO 0.01 -1.06 0.00 0.43 -1.34 0.00 0.00 175.55 173.59 2kdb n SER 51 N 5.14 -5.28 0.00 4.32 7.64 -1.26 -2.25 113.62 121.92 2kdb n SER 51 Ca -0.06 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.29 2kdb n SER 51 Cb 0.42 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 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 -0.64 2.69 3.87 0.23 0.00 -1.26 -5.13 105.19 104.95 2kdb n GLY 52 Ca -0.19 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 3.82 -0.15 1.61 1.70 -0.96 -5.05 118.95 119.92 2kdb s ARG 53 Ca 0.00 0.51 -0.15 0.00 -0.47 0.00 0.00 55.73 55.63 2kdb s ARG 53 Cb 0.00 -2.39 -0.05 0.00 -0.57 0.00 0.00 34.95 31.94 2kdb s ARG 53 CO 0.00 -0.01 0.33 -1.17 -1.08 0.00 0.00 175.30 173.37 2kdb s LEU 54 N -3.70 4.25 -0.53 -1.89 1.98 -1.26 -0.71 118.68 116.82 2kdb s LEU 54 Ca 0.52 0.57 -0.18 0.00 -2.89 0.00 0.00 54.13 52.16 2kdb s LEU 54 Cb -0.10 -2.44 0.09 0.00 0.66 0.00 0.00 46.19 44.40 2kdb s LEU 54 CO 0.29 0.08 0.56 -0.76 -1.89 0.00 0.00 176.35 174.63 2kdb s LEU 55 N 0.47 5.48 0.48 -0.68 1.43 0.20 -4.96 118.68 121.10 2kdb s LEU 55 Ca 0.18 -1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 51.78 2kdb s LEU 55 Cb -0.13 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 2kdb s LEU 55 CO 0.05 -0.88 0.97 -2.16 0.23 0.00 0.00 176.35 174.56 2kdb s PRO 56 N 2.19 4.04 0.52 1.29 0.04 -1.26 -4.32 135.00 137.50 2kdb s PRO 56 Ca 0.09 1.01 0.31 0.00 0.04 0.00 0.00 61.00 62.44 2kdb s PRO 56 Cb -0.24 -2.15 1.29 0.00 0.04 0.00 0.00 34.50 33.44 2kdb s PRO 56 CO 0.07 -0.19 1.96 0.38 0.04 0.00 0.00 177.00 179.27 2kdb h ASP 57 N 1.26 0.00 0.59 6.66 2.03 -1.98 -3.25 116.42 121.72 2kdb h ASP 57 Ca -0.48 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.79 2kdb h ASP 57 Cb 1.18 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2kdb h ASP 57 CO 0.61 0.07 -0.17 1.12 -1.03 0.00 0.00 179.24 179.85 2kdb h HIS 58 N 0.00 0.00 -1.91 4.15 2.07 -1.99 -3.35 115.15 114.11 2kdb h HIS 58 Ca -0.00 0.00 -0.45 0.00 -2.85 0.00 0.00 60.37 57.07 2kdb h HIS 58 Cb 0.54 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.52 2kdb h HIS 58 CO 0.00 0.17 -0.38 -0.48 -3.07 0.00 0.00 177.93 174.17 2kdb s LEU 59 N -7.06 4.01 0.39 6.12 0.05 -1.23 -5.03 118.68 115.93 2kdb s LEU 59 Ca -0.01 -0.16 -0.16 0.00 0.05 0.00 0.00 54.13 53.84 2kdb s LEU 59 Cb 0.12 -2.71 -0.09 0.00 -2.05 0.00 0.00 46.19 41.46 2kdb s LEU 59 CO 0.60 -0.32 0.83 -1.10 -0.55 0.00 0.00 176.35 175.82 2kdb s GLN 60 N -4.10 4.04 0.28 1.48 1.11 -1.26 -2.99 119.66 118.21 2kdb s GLN 60 Ca 0.41 0.81 0.00 0.00 0.01 0.00 0.00 55.36 56.60 2kdb s GLN 60 Cb -0.09 -2.31 0.51 0.00 -1.01 0.00 0.00 33.01 30.10 2kdb s GLN 60 CO 0.30 0.03 1.85 -0.07 0.01 0.00 0.00 175.29 177.40 2kdb h LEU 61 N 1.87 0.95 -1.55 2.90 3.38 -1.45 -2.68 115.31 118.74 2kdb h LEU 61 Ca -0.48 0.04 0.26 0.00 0.09 0.00 0.00 57.88 57.79 2kdb h LEU 61 Cb 1.18 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 2kdb h LEU 61 CO 0.63 0.54 0.68 0.07 0.09 0.00 0.00 178.44 180.45 2kdb h LYS 62 N 1.04 0.29 -0.73 1.13 5.09 -1.83 -0.83 116.57 120.74 2kdb h LYS 62 Ca 0.48 -0.02 0.14 0.00 0.09 0.00 0.00 60.65 61.34 2kdb h LYS 62 Cb 0.39 -0.07 -0.05 0.00 0.10 0.00 0.00 32.23 32.61 2kdb h LYS 62 CO -0.24 0.19 0.49 0.22 -2.09 0.00 0.00 179.45 178.02 2kdb h ASP 63 N 0.30 0.40 0.00 7.07 3.58 -1.81 -0.07 116.42 125.89 2kdb h ASP 63 Ca 0.55 0.02 -0.26 0.00 0.42 0.00 0.00 57.03 57.76 2kdb h ASP 63 Cb 1.56 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.50 2kdb h ASP 63 CO -0.20 0.21 -1.98 -0.38 -2.88 0.00 0.00 179.24 174.01 2kdb n ILE 64 N -4.48 0.98 -0.98 2.25 -0.00 -0.76 -4.72 119.36 111.66 2kdb n ILE 64 Ca 0.14 -0.58 0.08 0.00 -0.00 0.00 0.00 62.75 62.39 2kdb n ILE 64 Cb 0.50 -0.69 0.31 0.00 -0.00 0.00 0.00 39.64 39.75 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 -2.59 4.50 0.07 1.39 4.77 -0.39 -4.05 117.00 120.70 2kdb n LEU 65 Ca -0.24 -3.01 0.12 0.00 -0.03 0.00 0.00 56.01 52.85 2kdb n LEU 65 Cb 0.95 -0.59 0.25 0.00 -2.33 0.00 0.00 43.42 41.70 2kdb n LEU 65 CO 0.29 0.67 0.53 -1.14 -1.33 0.00 0.00 177.39 176.40 2kdb n ARG 66 N -0.17 0.27 0.04 3.23 0.63 -0.10 -2.94 116.66 117.62 2kdb n ARG 66 Ca 0.24 0.12 -0.03 0.00 -0.92 0.00 0.00 57.85 57.27 2kdb n ARG 66 Cb 1.00 -1.72 -0.01 0.00 0.45 0.00 0.00 32.46 32.18 2kdb n ARG 66 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2kdb h LYS 67 N 0.00 -0.14 0.15 -0.14 1.79 -1.84 -3.22 116.57 113.16 2kdb h LYS 67 Ca 0.00 0.01 -0.30 0.00 -2.18 0.00 0.00 60.65 58.18 2kdb h LYS 67 Cb 0.73 0.03 0.02 0.00 -1.58 0.00 0.00 32.23 31.44 2kdb h LYS 67 CO 0.00 -0.09 -1.28 1.96 -1.08 0.00 0.00 179.45 178.95 2kdb h GLN 68 N -0.15 0.49 0.00 3.15 7.50 -1.87 -3.48 115.11 120.75 2kdb h GLN 68 Ca -0.01 -0.73 0.00 0.00 0.50 0.00 0.00 58.65 58.41 2kdb h GLN 68 Cb 0.13 0.26 0.00 0.00 0.05 0.00 0.00 27.48 27.91 2kdb h GLN 68 CO -0.01 1.33 0.00 -3.47 -1.50 0.00 0.00 178.83 175.19 2kdb n ASP 69 N -3.70 0.00 -0.07 1.46 2.03 -1.15 -4.66 116.55 110.46 2kdb n ASP 69 Ca -0.13 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.13 2kdb n ASP 69 Cb 1.01 -0.12 -0.02 0.00 -0.72 0.00 0.00 41.12 41.28 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 -0.87 0.46 -4.05 -0.67 2.13 -1.26 -4.81 120.64 111.57 2kdb n GLU 70 Ca 0.00 0.46 -0.13 0.00 0.66 0.00 0.00 57.16 58.14 2kdb n GLU 70 Cb 0.00 -1.62 -0.13 0.00 0.27 0.00 0.00 31.44 29.96 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 -2.35 0.40 -0.11 4.31 1.13 -1.26 -0.84 117.35 118.63 2kdb s TYR 71 Ca -0.17 -0.23 -0.04 0.00 -1.41 0.00 0.00 57.07 55.21 2kdb s TYR 71 Cb 0.02 -0.25 0.05 0.00 -1.10 0.00 0.00 41.96 40.69 2kdb s TYR 71 CO 0.26 -0.05 0.22 -1.01 -2.51 0.00 0.00 175.55 172.46 2kdb s HIS 72 N -0.59 -0.31 -0.60 -3.49 3.76 -0.89 -4.81 115.29 108.35 2kdb s HIS 72 Ca -0.04 0.79 -0.23 0.00 -0.15 0.00 0.00 55.06 55.43 2kdb s HIS 72 Cb -0.05 -0.10 0.05 0.00 1.11 0.00 0.00 32.58 33.60 2kdb s HIS 72 CO -0.00 -0.30 0.95 0.00 -0.85 0.00 0.00 174.74 174.54 2kdb s MET 73 N 2.10 3.22 -0.08 1.40 0.23 -1.26 -0.88 119.30 124.03 2kdb s MET 73 Ca -0.01 -0.54 0.00 0.00 -1.03 0.00 0.00 55.69 54.11 2kdb s MET 73 Cb -0.12 -4.14 -0.03 0.00 -1.53 0.00 0.00 34.83 29.02 2kdb s MET 73 CO -0.07 -1.65 -0.07 0.08 -2.03 0.00 0.00 175.02 171.28 2kdb s VAL 74 N 4.01 3.71 -0.49 5.16 1.01 -0.19 -4.38 120.40 129.25 2kdb s VAL 74 Ca 0.26 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 2kdb s VAL 74 Cb -0.15 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 33.77 2kdb s VAL 74 CO 0.15 0.59 0.50 -1.00 0.00 0.00 0.00 175.10 175.33 2kdb s HIS 75 N -0.67 3.16 -0.88 5.22 3.76 -0.10 -1.08 115.29 124.69 2kdb s HIS 75 Ca 0.10 -0.74 -0.22 0.00 -0.15 0.00 0.00 55.06 54.05 2kdb s HIS 75 Cb -0.11 -3.32 0.08 0.00 1.11 0.00 0.00 32.58 30.33 2kdb s HIS 75 CO 0.02 -0.90 1.23 -1.17 -0.85 0.00 0.00 174.74 173.07 2kdb s LEU 76 N 2.09 4.10 0.00 0.89 2.96 -0.56 -1.20 118.68 126.96 2kdb s LEU 76 Ca 0.09 -1.39 0.30 0.00 -0.22 0.00 0.00 54.13 52.91 2kdb s LEU 76 Cb -0.22 -2.49 1.55 0.00 0.50 0.00 0.00 46.19 45.53 2kdb s LEU 76 CO 0.09 -1.41 2.03 0.55 -1.32 0.00 0.00 176.35 176.29