#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxr s HIS 3 N 0.00 3.03 0.00 -0.72 3.76 -1.26 -2.62 115.29 117.48 1dxr s HIS 3 Ca 0.00 0.83 0.00 0.00 -0.15 0.00 0.00 55.06 55.74 1dxr s HIS 3 Cb 0.00 -3.88 0.00 0.00 1.11 0.00 0.00 32.58 29.81 1dxr s HIS 3 CO 0.00 -3.05 0.00 0.41 -0.85 0.00 0.00 174.74 171.25 1dxr n GLY 4 N 2.92 2.81 3.70 -2.22 0.00 -1.26 -5.01 105.19 106.12 1dxr n GLY 4 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1dxr n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxr s ALA 5 N -2.37 3.55 -0.16 4.61 0.00 -1.08 -1.40 121.76 124.91 1dxr s ALA 5 Ca 0.00 0.88 0.16 0.00 0.00 0.00 0.00 51.96 53.00 1dxr s ALA 5 Cb 0.00 -3.56 -0.22 0.00 0.00 0.00 0.00 23.12 19.34 1dxr s ALA 5 CO 0.00 -0.78 0.09 1.28 0.00 0.00 0.00 175.76 176.34 1dxr n LEU 6 N 4.93 0.00 0.00 0.00 4.77 0.92 -4.92 117.00 122.70 1dxr n LEU 6 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1dxr n LEU 6 Cb 0.44 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 1dxr n LEU 6 CO 0.58 0.39 0.00 0.00 -1.33 0.00 0.00 177.39 177.03 1dxr n ALA 7 N -2.60 0.00 1.42 -1.18 0.00 -1.14 -4.89 120.51 112.13 1dxr n ALA 7 Ca -0.26 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.21 1dxr n ALA 7 Cb 1.01 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.56 1dxr n ALA 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1dxr n GLN 8 N 0.00 1.42 -2.16 0.00 6.02 -1.26 -4.21 117.38 117.19 1dxr n GLN 8 Ca 0.00 -0.66 -0.02 0.00 -0.01 0.00 0.00 57.00 56.31 1dxr n GLN 8 Cb 0.00 -1.15 0.01 0.00 1.02 0.00 0.00 30.24 30.12 1dxr n GLN 8 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1dxr n HIS 9 N 0.03 -0.28 -4.08 1.08 8.25 -1.26 -5.11 115.22 113.86 1dxr n HIS 9 Ca 0.06 0.12 -0.36 0.00 -0.26 0.00 0.00 57.72 57.29 1dxr n HIS 9 Cb 0.16 -2.40 -0.08 0.00 1.12 0.00 0.00 29.99 28.78 1dxr n HIS 9 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1dxr s LEU 10 N -2.58 3.97 0.06 2.41 1.43 -1.26 -5.05 118.68 117.66 1dxr s LEU 10 Ca 0.00 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1dxr s LEU 10 Cb -0.00 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1dxr s LEU 10 CO 0.09 0.34 -0.05 1.51 0.23 0.00 0.00 176.35 178.48 1dxr s ASP 11 N -0.63 0.73 0.17 2.29 1.47 -1.26 -0.05 116.67 119.39 1dxr s ASP 11 Ca 0.12 -0.91 -0.21 0.00 1.18 0.00 0.00 52.55 52.72 1dxr s ASP 11 Cb -0.12 0.14 0.09 0.00 -0.34 0.00 0.00 42.92 42.69 1dxr s ASP 11 CO 0.02 -0.49 1.61 0.40 0.68 0.00 0.00 175.17 177.40 1dxr h ILE 12 N 3.35 0.30 -0.74 2.11 1.08 -1.59 -2.44 117.51 119.58 1dxr h ILE 12 Ca -0.34 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.18 1dxr h ILE 12 Cb 1.16 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.17 1dxr h ILE 12 CO 0.61 0.00 0.49 0.00 -0.69 0.00 0.00 178.15 178.56 1dxr h ALA 13 N 0.95 1.62 -0.70 1.87 0.00 -1.98 -1.27 119.26 119.75 1dxr h ALA 13 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1dxr h ALA 13 Cb 0.50 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1dxr h ALA 13 CO -0.53 0.28 0.25 0.37 0.00 0.00 0.00 179.25 179.63 1dxr h GLN 14 N 0.85 1.07 -0.40 0.00 4.15 -1.85 -1.18 115.11 117.74 1dxr h GLN 14 Ca 0.31 -0.21 -0.16 0.00 0.77 0.00 0.00 58.65 59.36 1dxr h GLN 14 Cb 0.15 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1dxr h GLN 14 CO -0.10 0.90 -0.36 -0.07 -1.93 0.00 0.00 178.83 177.27 1dxr h LEU 15 N 1.02 1.01 -1.64 -2.39 3.38 -0.95 -2.74 115.31 113.00 1dxr h LEU 15 Ca 0.23 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1dxr h LEU 15 Cb 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1dxr h LEU 15 CO -0.01 1.25 -0.19 0.58 0.09 0.00 0.00 178.44 180.16 1dxr h VAL 16 N 0.78 1.08 -0.26 1.22 2.07 -0.98 -1.69 116.25 118.47 1dxr h VAL 16 Ca 0.07 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1dxr h VAL 16 Cb 0.96 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1dxr h VAL 16 CO 0.09 0.19 0.11 -0.25 0.02 0.00 0.00 177.57 177.73 1dxr h TRP 17 N 0.00 0.21 -0.59 1.57 7.01 -0.91 0.29 115.95 123.53 1dxr h TRP 17 Ca -0.00 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1dxr h TRP 17 Cb 0.36 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 1dxr h TRP 17 CO 0.00 0.11 0.29 1.88 -2.79 0.00 0.00 178.44 177.93 1dxr h TYR 18 N 0.24 0.84 -0.61 2.65 0.05 -1.36 -2.36 116.97 116.43 1dxr h TYR 18 Ca 0.11 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 1dxr h TYR 18 Cb 0.05 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 1dxr h TYR 18 CO -0.11 0.64 0.25 0.00 -1.05 0.00 0.00 178.16 177.89 1dxr h ALA 19 N 1.12 1.30 -0.21 3.88 0.00 -0.87 -1.84 119.26 122.65 1dxr h ALA 19 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1dxr h ALA 19 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1dxr h ALA 19 CO -0.03 0.52 0.09 0.37 0.00 0.00 0.00 179.25 180.20 1dxr h GLN 20 N 0.87 0.32 -0.81 0.00 5.75 0.04 -1.15 115.11 120.12 1dxr h GLN 20 Ca 0.21 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1dxr h GLN 20 Cb 0.15 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 1dxr h GLN 20 CO -0.02 0.37 0.44 -1.49 -2.65 0.00 0.00 178.83 175.47 1dxr h TRP 21 N 0.19 1.11 -0.21 3.99 4.06 -1.25 -1.87 115.95 121.97 1dxr h TRP 21 Ca 0.07 -0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.00 1dxr h TRP 21 Cb 0.17 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 27.96 1dxr h TRP 21 CO -0.01 0.78 0.12 -0.07 -3.56 0.00 0.00 178.44 175.69 1dxr h LEU 22 N 1.12 0.19 -0.79 -4.49 4.07 -1.07 -1.53 115.31 112.81 1dxr h LEU 22 Ca 0.28 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.29 1dxr h LEU 22 Cb 0.04 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 1dxr h LEU 22 CO -0.05 0.14 0.50 0.58 -1.08 0.00 0.00 178.44 178.54 1dxr h VAL 23 N 0.25 1.10 -0.19 1.22 2.07 -0.89 -1.26 116.25 118.54 1dxr h VAL 23 Ca 0.08 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1dxr h VAL 23 Cb 0.00 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1dxr h VAL 23 CO -0.04 0.17 0.01 0.40 0.02 0.00 0.00 177.57 178.13 1dxr h ILE 24 N 0.96 1.25 -0.27 4.57 2.04 -1.19 -1.57 117.51 123.29 1dxr h ILE 24 Ca 0.32 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 65.23 1dxr h ILE 24 Cb 0.05 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1dxr h ILE 24 CO -0.13 0.26 -0.30 -0.50 0.00 0.00 0.00 178.15 177.48 1dxr h TRP 25 N 0.10 0.65 0.21 1.37 -0.00 -1.20 -0.17 115.95 116.92 1dxr h TRP 25 Ca 0.06 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.89 58.78 1dxr h TRP 25 Cb 0.38 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 29.39 1dxr h TRP 25 CO 0.03 0.81 -0.10 1.15 -0.00 0.00 0.00 178.44 180.33 1dxr h THR 26 N 0.49 0.80 -0.62 1.49 2.02 -1.14 0.04 112.91 115.98 1dxr h THR 26 Ca 0.06 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1dxr h THR 26 Cb 0.77 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1dxr h THR 26 CO 0.06 0.01 0.31 0.58 0.37 0.00 0.00 175.52 176.85 1dxr h VAL 27 N -0.32 1.21 0.03 3.16 2.07 -1.08 -0.98 116.25 120.34 1dxr h VAL 27 Ca -0.03 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1dxr h VAL 27 Cb 0.24 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1dxr h VAL 27 CO 0.05 0.24 -0.01 0.58 0.02 0.00 0.00 177.57 178.45 1dxr h VAL 28 N 0.85 1.22 0.07 2.57 2.07 -0.88 -0.06 116.25 122.09 1dxr h VAL 28 Ca 0.21 -0.76 -0.15 0.00 0.82 0.00 0.00 66.70 66.83 1dxr h VAL 28 Cb 0.10 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1dxr h VAL 28 CO -0.03 0.19 -0.72 -0.07 0.02 0.00 0.00 177.57 176.97 1dxr h LEU 29 N -0.36 0.25 0.00 2.57 3.38 -1.00 0.14 115.31 120.28 1dxr h LEU 29 Ca -0.00 -0.90 -0.15 0.00 0.09 0.00 0.00 57.88 56.92 1dxr h LEU 29 Cb 0.34 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1dxr h LEU 29 CO 0.01 1.32 -0.94 -0.07 0.09 0.00 0.00 178.44 178.85 1dxr h LEU 30 N -0.63 0.00 0.00 1.67 4.07 -1.33 -3.37 115.31 115.71 1dxr h LEU 30 Ca -0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1dxr h LEU 30 Cb 1.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.16 1dxr h LEU 30 CO 0.04 0.60 -0.20 0.00 -1.08 0.00 0.00 178.44 177.80 1dxr n TYR 31 N -3.11 0.00 -0.14 1.13 9.36 -0.98 -4.56 117.16 118.87 1dxr n TYR 31 Ca -0.03 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.10 1dxr n TYR 31 Cb 0.81 -0.10 -0.00 0.00 -0.63 0.00 0.00 39.34 39.41 1dxr n TYR 31 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1dxr h LEU 32 N -0.20 0.55 -1.80 2.98 3.38 -0.92 -0.41 115.31 118.88 1dxr h LEU 32 Ca 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1dxr h LEU 32 Cb 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1dxr h LEU 32 CO 0.00 0.53 -0.03 0.03 0.09 0.00 0.00 178.44 179.07 1dxr h ARG 33 N 0.53 0.00 0.09 1.13 2.47 -1.12 -0.07 114.38 117.41 1dxr h ARG 33 Ca 0.14 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.55 1dxr h ARG 33 Cb 0.13 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1dxr h ARG 33 CO -0.02 0.03 -1.62 0.00 0.56 0.00 0.00 179.97 178.92 1dxr h ARG 34 N 0.00 0.18 -0.68 0.04 3.08 -1.55 -3.22 114.38 112.23 1dxr h ARG 34 Ca -0.00 -0.31 0.10 0.00 0.07 0.00 0.00 59.98 59.84 1dxr h ARG 34 Cb 0.40 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1dxr h ARG 34 CO 0.00 0.99 0.45 0.93 -1.07 0.00 0.00 179.97 181.27 1dxr h GLU 35 N 0.05 0.49 0.00 0.04 4.39 -0.35 -1.39 114.58 117.81 1dxr h GLU 35 Ca -0.27 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1dxr h GLU 35 Cb 2.01 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.54 1dxr h GLU 35 CO 0.13 0.33 0.00 -0.44 -1.16 0.00 0.00 179.01 177.87 1dxr h ASP 36 N 0.51 0.00 -0.44 1.42 3.32 -1.04 -2.97 116.42 117.21 1dxr h ASP 36 Ca 0.31 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.30 1dxr h ASP 36 Cb 0.55 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1dxr h ASP 36 CO -0.10 0.00 0.05 0.54 -1.72 0.00 0.00 179.24 178.01 1dxr n ARG 37 N -2.44 3.38 0.00 3.56 1.74 -0.52 -4.51 116.66 117.87 1dxr n ARG 37 Ca -0.01 -3.00 0.15 0.00 -0.77 0.00 0.00 57.85 54.22 1dxr n ARG 37 Cb 0.09 -2.01 0.78 0.00 -1.02 0.00 0.00 32.46 30.30 1dxr n ARG 37 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1dxr n ARG 38 N -0.28 0.61 -4.50 5.56 1.74 -1.12 -4.36 116.66 114.30 1dxr n ARG 38 Ca 0.28 -0.04 -0.21 0.00 -0.77 0.00 0.00 57.85 57.11 1dxr n ARG 38 Cb 1.08 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.87 1dxr n ARG 38 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1dxr s GLU 39 N -2.42 1.04 0.00 5.56 0.41 -1.26 -4.09 118.70 117.93 1dxr s GLU 39 Ca 0.33 -0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.49 1dxr s GLU 39 Cb 0.21 -0.98 0.00 0.00 -1.78 0.00 0.00 34.13 31.58 1dxr s GLU 39 CO 0.44 0.20 0.00 0.41 -0.49 0.00 0.00 175.26 175.82 1dxr n GLY 40 N 3.02 1.43 3.72 -1.39 0.00 -1.26 -5.03 105.19 105.68 1dxr n GLY 40 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1dxr n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dxr s TYR 41 N -2.63 3.06 0.53 1.61 1.51 -1.26 -3.99 117.35 116.17 1dxr s TYR 41 Ca 0.00 0.01 -0.18 0.00 -1.01 0.00 0.00 57.07 55.89 1dxr s TYR 41 Cb 0.00 -1.57 -0.07 0.00 -0.11 0.00 0.00 41.96 40.22 1dxr s TYR 41 CO 0.00 0.49 1.05 -1.25 -1.11 0.00 0.00 175.55 174.73 1dxr s PRO 42 N -2.33 3.62 0.47 -1.71 0.05 -1.26 -4.72 135.00 129.11 1dxr s PRO 42 Ca 0.27 1.29 -0.22 0.00 0.05 0.00 0.00 61.00 62.39 1dxr s PRO 42 Cb -0.12 -2.07 -0.10 0.00 0.05 0.00 0.00 34.50 32.26 1dxr s PRO 42 CO 0.19 -0.57 0.77 1.28 0.05 0.00 0.00 177.00 178.73 1dxr n LEU 43 N -1.39 1.58 -4.76 -3.56 4.77 -1.26 -5.01 117.00 107.37 1dxr n LEU 43 Ca 0.09 0.92 -0.22 0.00 -0.03 0.00 0.00 56.01 56.77 1dxr n LEU 43 Cb 0.53 -1.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.31 1dxr n LEU 43 CO 0.43 -2.24 -0.22 0.68 -1.33 0.00 0.00 177.39 174.70 1dxr s VAL 44 N -1.44 4.11 -0.01 4.08 -7.23 -1.26 -5.14 120.40 113.52 1dxr s VAL 44 Ca 0.66 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1dxr s VAL 44 Cb -0.54 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.20 1dxr s VAL 44 CO 0.56 -0.36 0.00 -1.83 -0.31 0.00 0.00 175.10 173.16 1dxr s GLU 45 N -3.78 0.09 0.01 4.82 -1.05 -1.26 -5.13 118.70 112.40 1dxr s GLU 45 Ca 0.32 0.03 -0.30 0.00 -0.15 0.00 0.00 54.97 54.87 1dxr s GLU 45 Cb -0.07 -0.18 -0.09 0.00 -0.44 0.00 0.00 34.13 33.35 1dxr s GLU 45 CO 0.23 -0.04 2.00 -2.30 0.95 0.00 0.00 175.26 176.10 1dxr n PRO 46 N 3.47 2.77 -3.36 -4.83 -0.02 -1.26 -3.96 135.00 127.81 1dxr n PRO 46 Ca -0.18 1.00 -0.16 0.00 -2.02 0.00 0.00 63.50 62.14 1dxr n PRO 46 Cb 0.56 -3.02 0.04 0.00 -0.02 0.00 0.00 33.50 31.06 1dxr n PRO 46 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1dxr n LEU 47 N 7.88 -4.86 -4.59 2.45 4.32 -1.26 -4.84 117.00 116.10 1dxr n LEU 47 Ca 0.21 -0.63 -0.41 0.00 -0.02 0.00 0.00 56.01 55.16 1dxr n LEU 47 Cb 0.41 -2.87 -0.03 0.00 -1.62 0.00 0.00 43.42 39.31 1dxr n LEU 47 CO 0.68 -0.13 1.90 -0.83 -1.22 0.00 0.00 177.39 177.80 1dxr s GLY 48 N -3.26 0.23 0.20 -0.72 0.00 -1.25 -4.85 107.32 97.67 1dxr s GLY 48 Ca 0.29 0.56 -0.15 0.00 0.00 0.00 0.00 44.72 45.43 1dxr s GLY 48 CO 0.79 3.90 1.33 1.04 0.00 0.00 0.00 173.10 180.17 1dxr n LEU 49 N 12.91 -0.55 -3.62 0.66 4.77 -1.26 -4.65 117.00 125.26 1dxr n LEU 49 Ca 0.32 1.50 -0.08 0.00 -0.03 0.00 0.00 56.01 57.71 1dxr n LEU 49 Cb 0.48 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1dxr n LEU 49 CO 0.67 -1.35 0.84 0.54 -1.33 0.00 0.00 177.39 176.77 1dxr s VAL 50 N -5.82 0.00 -0.33 4.08 0.11 -1.26 -5.12 120.40 112.06 1dxr s VAL 50 Ca -0.12 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1dxr s VAL 50 Cb 0.18 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 34.16 1dxr s VAL 50 CO 0.61 0.00 0.26 -0.75 -3.33 0.00 0.00 175.10 171.89 1dxr s LYS 51 N -0.34 0.45 0.55 1.54 2.20 -1.26 -4.99 119.74 117.89 1dxr s LYS 51 Ca 0.03 -0.78 0.26 0.00 -0.36 0.00 0.00 55.97 55.12 1dxr s LYS 51 Cb -0.03 -0.97 1.58 0.00 -1.51 0.00 0.00 37.83 36.90 1dxr s LYS 51 CO -0.05 -1.13 2.17 -0.07 -0.36 0.00 0.00 175.35 175.91 1dxr h LEU 52 N 7.58 0.00 -7.69 5.43 3.38 -2.01 -3.43 115.31 118.57 1dxr h LEU 52 Ca -0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1dxr h LEU 52 Cb 1.02 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.57 1dxr h LEU 52 CO 0.30 0.05 -0.43 0.00 0.09 0.00 0.00 178.44 178.44 1dxr s ALA 53 N -4.55 -0.44 0.22 1.53 0.00 -1.26 -5.13 121.76 112.13 1dxr s ALA 53 Ca -0.04 -0.02 -0.32 0.00 0.00 0.00 0.00 51.96 51.58 1dxr s ALA 53 Cb 0.15 0.11 -0.14 0.00 0.00 0.00 0.00 23.12 23.23 1dxr s ALA 53 CO 0.59 -0.22 1.30 -0.35 0.00 0.00 0.00 175.76 177.07 1dxr n PRO 54 N 1.39 1.69 -1.34 0.00 -0.04 -1.26 -4.93 135.00 130.50 1dxr n PRO 54 Ca -0.22 0.60 -0.46 0.00 -0.04 0.00 0.00 63.50 63.38 1dxr n PRO 54 Cb 0.56 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 1dxr n PRO 54 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1dxr n GLU 55 N 1.85 0.00 -0.30 0.54 1.02 -1.26 -4.84 120.64 117.65 1dxr n GLU 55 Ca 0.13 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.39 1dxr n GLU 55 Cb 0.29 -0.96 0.30 0.00 -0.02 0.00 0.00 31.44 31.04 1dxr n GLU 55 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1dxr h ASP 56 N 0.98 0.22 -0.09 1.62 3.32 -2.01 -1.76 116.42 118.70 1dxr h ASP 56 Ca -0.27 0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1dxr h ASP 56 Cb 1.38 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 41.10 1dxr h ASP 56 CO 0.55 -0.05 0.07 1.23 -1.72 0.00 0.00 179.24 179.31 1dxr h GLY 57 N 0.34 0.00 2.00 2.75 0.00 -1.99 0.14 103.07 106.31 1dxr h GLY 57 Ca 0.55 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.81 1dxr h GLY 57 CO -0.56 0.00 -0.31 1.46 0.00 0.00 0.00 176.54 177.13 1dxr h GLN 58 N 0.00 0.00 0.20 4.80 4.20 -1.66 -2.11 115.11 120.54 1dxr h GLN 58 Ca 0.04 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.43 1dxr h GLN 58 Cb 0.17 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.97 1dxr h GLN 58 CO -0.00 0.31 -1.49 0.28 -0.67 0.00 0.00 178.83 177.25 1dxr h VAL 59 N 0.00 1.24 -0.08 -0.54 2.07 -0.78 -3.37 116.25 114.80 1dxr h VAL 59 Ca -0.00 -2.76 -0.13 0.00 0.82 0.00 0.00 66.70 64.63 1dxr h VAL 59 Cb 0.81 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 1dxr h VAL 59 CO 0.04 0.84 -0.54 1.88 0.02 0.00 0.00 177.57 179.81 1dxr h TYR 60 N 0.11 0.27 0.00 1.57 0.05 -0.78 -3.09 116.97 115.10 1dxr h TYR 60 Ca -0.25 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1dxr h TYR 60 Cb 2.10 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 39.78 1dxr h TYR 60 CO 0.10 0.71 0.00 -0.85 -1.05 0.00 0.00 178.16 177.07 1dxr n GLU 61 N -3.92 0.16 -3.50 4.88 0.28 -0.83 -4.84 120.64 112.86 1dxr n GLU 61 Ca -0.02 0.15 -0.35 0.00 -0.16 0.00 0.00 57.16 56.78 1dxr n GLU 61 Cb 0.57 -1.69 -0.06 0.00 1.43 0.00 0.00 31.44 31.69 1dxr n GLU 61 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1dxr s LEU 62 N -3.93 4.35 0.83 -1.84 1.43 -1.17 -4.58 118.68 113.77 1dxr s LEU 62 Ca 0.11 0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 54.00 1dxr s LEU 62 Cb 0.14 -3.05 0.09 0.00 0.03 0.00 0.00 46.19 43.40 1dxr s LEU 62 CO 0.55 0.16 1.13 -2.16 0.23 0.00 0.00 176.35 176.26 1dxr s PRO 63 N -1.87 1.82 0.49 1.29 0.04 -1.26 -5.02 135.00 130.49 1dxr s PRO 63 Ca 0.34 0.37 -0.23 0.00 0.04 0.00 0.00 61.00 61.52 1dxr s PRO 63 Cb -0.14 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 1dxr s PRO 63 CO 0.18 -1.74 1.32 0.71 0.04 0.00 0.00 177.00 177.51 1dxr s TYR 64 N -3.32 2.52 0.58 0.56 2.02 -1.26 -4.80 117.35 113.65 1dxr s TYR 64 Ca 0.62 1.39 -0.20 0.00 -0.37 0.00 0.00 57.07 58.50 1dxr s TYR 64 Cb -0.13 -3.72 -0.03 0.00 -0.40 0.00 0.00 41.96 37.67 1dxr s TYR 64 CO 0.52 -2.50 1.33 -2.14 -1.57 0.00 0.00 175.55 171.19 1dxr s PRO 65 N -2.67 2.93 0.15 -1.71 0.02 -1.26 -4.79 135.00 127.67 1dxr s PRO 65 Ca 0.66 2.15 0.09 0.00 0.02 0.00 0.00 61.00 63.92 1dxr s PRO 65 Cb -0.38 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.00 1dxr s PRO 65 CO 0.47 -1.33 -0.17 -1.59 -0.33 0.00 0.00 177.00 174.05 1dxr s LYS 66 N -3.09 1.80 -0.17 5.54 -2.85 0.45 -4.95 119.74 116.47 1dxr s LYS 66 Ca 0.76 -1.28 0.01 0.00 -1.00 0.00 0.00 55.97 54.46 1dxr s LYS 66 Cb -0.39 -2.07 0.02 0.00 -2.06 0.00 0.00 37.83 33.33 1dxr s LYS 66 CO 0.44 0.45 -0.19 0.99 0.10 0.00 0.00 175.35 177.14 1dxr s THR 67 N -1.42 1.98 0.02 3.79 2.01 -1.26 -0.97 115.64 119.79 1dxr s THR 67 Ca 0.20 -0.90 -0.24 0.00 0.31 0.00 0.00 61.69 61.07 1dxr s THR 67 Cb -0.09 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 1dxr s THR 67 CO 0.11 0.53 0.73 -0.36 -0.69 0.00 0.00 174.62 174.94 1dxr s PHE 68 N 1.23 3.70 -0.30 4.92 0.08 0.87 -4.91 117.98 123.57 1dxr s PHE 68 Ca 0.03 1.39 -0.12 0.00 0.12 0.00 0.00 56.93 58.35 1dxr s PHE 68 Cb -0.13 -2.79 -0.04 0.00 -0.57 0.00 0.00 43.02 39.49 1dxr s PHE 68 CO -0.11 0.25 0.24 0.54 -0.10 0.00 0.00 175.22 176.04 1dxr s VAL 69 N 0.10 5.28 0.49 -0.44 0.11 -1.26 -1.40 120.40 123.29 1dxr s VAL 69 Ca 0.37 0.12 -0.20 0.00 -2.93 0.00 0.00 61.98 59.35 1dxr s VAL 69 Cb -0.20 -3.62 -0.08 0.00 -1.53 0.00 0.00 36.38 30.96 1dxr s VAL 69 CO 0.21 0.15 1.04 -0.76 -3.33 0.00 0.00 175.10 172.41 1dxr s LEU 70 N 1.81 3.81 0.38 2.54 1.43 -0.32 -4.95 118.68 123.38 1dxr s LEU 70 Ca 0.08 1.91 0.12 0.00 -1.03 0.00 0.00 54.13 55.20 1dxr s LEU 70 Cb -0.16 -4.56 0.74 0.00 0.03 0.00 0.00 46.19 42.24 1dxr s LEU 70 CO 0.11 -0.80 1.85 1.55 0.23 0.00 0.00 176.35 179.29 1dxr h PRO 71 N 1.46 0.06 -0.50 1.29 0.13 -1.97 -2.79 132.00 129.68 1dxr h PRO 71 Ca -0.49 -0.02 -0.29 0.00 -0.87 0.00 0.00 66.00 64.33 1dxr h PRO 71 Cb 1.22 -0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 1dxr h PRO 71 CO 0.59 0.37 -0.02 0.72 -0.23 0.00 0.00 178.00 179.44 1dxr n HIS 72 N -4.15 1.61 0.00 1.56 8.25 -1.26 -5.04 115.22 116.18 1dxr n HIS 72 Ca -0.02 -1.81 0.00 0.00 -0.26 0.00 0.00 57.72 55.63 1dxr n HIS 72 Cb 0.37 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.88 1dxr n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dxr n GLY 73 N -1.08 2.34 0.00 -1.41 0.00 -1.05 -5.14 105.19 98.85 1dxr n GLY 73 Ca 0.39 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1dxr n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dxr n GLY 74 N 1.66 0.32 3.19 -0.02 0.00 -1.26 -4.63 105.19 104.44 1dxr n GLY 74 Ca 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 1dxr n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dxr s THR 75 N -1.42 0.12 -0.02 2.61 -4.23 -1.26 -1.17 115.64 110.27 1dxr s THR 75 Ca 0.00 -1.71 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1dxr s THR 75 Cb 0.00 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 72.01 1dxr s THR 75 CO 0.00 -0.54 -0.01 -0.69 -0.54 0.00 0.00 174.62 172.84 1dxr s VAL 76 N -3.99 0.19 -0.12 2.29 1.01 -0.49 -4.94 120.40 114.35 1dxr s VAL 76 Ca 0.18 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1dxr s VAL 76 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 1dxr s VAL 76 CO -0.02 0.11 -0.17 -0.89 0.00 0.00 0.00 175.10 174.14 1dxr s THR 77 N 0.62 2.72 0.02 3.92 2.01 -1.26 -0.09 115.64 123.58 1dxr s THR 77 Ca -0.06 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.19 1dxr s THR 77 Cb -0.09 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1dxr s THR 77 CO -0.01 0.53 -0.11 0.68 -0.69 0.00 0.00 174.62 175.02 1dxr s VAL 78 N 0.39 0.84 0.73 3.82 -7.23 -0.14 -4.14 120.40 114.67 1dxr s VAL 78 Ca -0.13 -0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 59.18 1dxr s VAL 78 Cb -0.16 -0.76 0.03 0.00 0.56 0.00 0.00 36.38 36.04 1dxr s VAL 78 CO 0.06 0.02 1.08 -2.16 -0.31 0.00 0.00 175.10 173.79 1dxr s PRO 79 N -0.83 2.61 0.08 4.82 0.04 -1.26 -0.41 135.00 140.06 1dxr s PRO 79 Ca 0.00 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 1dxr s PRO 79 Cb -0.06 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1dxr s PRO 79 CO 0.00 -1.36 0.38 -0.98 0.04 0.00 0.00 177.00 175.08 1dxr s ARG 80 N -4.86 0.97 -0.09 4.56 1.70 -1.26 -4.84 118.95 115.13 1dxr s ARG 80 Ca 0.60 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 55.00 1dxr s ARG 80 Cb -0.16 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 1dxr s ARG 80 CO 0.54 -0.35 1.39 0.50 -1.08 0.00 0.00 175.30 176.29 1dxr s ARG 81 N -3.16 4.24 -0.45 3.89 3.52 -1.26 -4.91 118.95 120.82 1dxr s ARG 81 Ca -0.01 1.87 0.08 0.00 -0.13 0.00 0.00 55.73 57.54 1dxr s ARG 81 Cb 0.01 -3.76 0.26 0.00 -1.56 0.00 0.00 34.95 29.90 1dxr s ARG 81 CO -0.07 -0.69 0.61 0.54 -0.81 0.00 0.00 175.30 174.88 1dxr n ARG 82 N 6.32 1.27 -1.66 5.12 1.74 -1.26 -5.12 116.66 123.07 1dxr n ARG 82 Ca 0.14 -3.65 -0.36 0.00 -0.77 0.00 0.00 57.85 53.21 1dxr n ARG 82 Cb 0.44 -1.55 0.07 0.00 -1.02 0.00 0.00 32.46 30.40 1dxr n ARG 82 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1dxr s PRO 83 N -1.71 2.44 -0.55 5.56 0.02 -1.26 -4.95 135.00 134.55 1dxr s PRO 83 Ca 0.37 1.95 -0.16 0.00 0.02 0.00 0.00 61.00 63.19 1dxr s PRO 83 Cb 0.19 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 33.00 1dxr s PRO 83 CO -0.08 -1.65 0.51 -1.21 -0.33 0.00 0.00 177.00 174.23 1dxr s GLU 84 N -3.54 3.01 0.27 5.54 2.02 -1.26 -4.91 118.70 119.83 1dxr s GLU 84 Ca 0.80 -1.74 0.10 0.00 0.02 0.00 0.00 54.97 54.15 1dxr s GLU 84 Cb -0.34 -4.30 0.37 0.00 0.10 0.00 0.00 34.13 29.95 1dxr s GLU 84 CO 0.41 -1.33 1.62 1.15 0.02 0.00 0.00 175.26 177.13 1dxr h THR 85 N 5.85 1.43 -2.06 3.63 2.02 -2.06 -3.47 112.91 118.25 1dxr h THR 85 Ca -0.28 -2.05 -0.63 0.00 0.77 0.00 0.00 66.41 64.21 1dxr h THR 85 Cb 1.10 2.10 0.06 0.00 -1.74 0.00 0.00 68.15 69.67 1dxr h THR 85 CO 1.03 0.59 0.55 -1.14 0.37 0.00 0.00 175.52 176.92 1dxr n ARG 86 N -3.83 1.59 -2.39 6.66 0.63 -1.26 -4.90 116.66 113.16 1dxr n ARG 86 Ca -0.01 0.57 -0.41 0.00 -0.92 0.00 0.00 57.85 57.08 1dxr n ARG 86 Cb 0.60 -2.23 -0.03 0.00 0.45 0.00 0.00 32.46 31.25 1dxr n ARG 86 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1dxr s GLU 87 N 0.32 4.49 -0.22 -0.14 0.41 -1.26 -5.01 118.70 117.29 1dxr s GLU 87 Ca 0.78 1.85 -0.04 0.00 -0.41 0.00 0.00 54.97 57.15 1dxr s GLU 87 Cb -0.80 -3.26 -0.01 0.00 -1.78 0.00 0.00 34.13 28.27 1dxr s GLU 87 CO 0.45 -0.11 -0.03 -0.51 -0.49 0.00 0.00 175.26 174.58 1dxr s LEU 88 N -0.03 3.00 -1.38 1.80 1.43 -1.26 -5.01 118.68 117.22 1dxr s LEU 88 Ca 0.54 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 1dxr s LEU 88 Cb -0.32 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.17 1dxr s LEU 88 CO 0.35 -0.00 2.06 0.29 0.23 0.00 0.00 176.35 179.28 1dxr n LYS 89 N 4.68 2.88 -4.07 1.70 4.76 -1.26 -4.87 118.16 121.98 1dxr n LYS 89 Ca -0.18 -2.77 -0.13 0.00 -2.87 0.00 0.00 58.31 52.36 1dxr n LYS 89 Cb 0.51 -3.35 -0.12 0.00 -1.84 0.00 0.00 35.03 30.24 1dxr n LYS 89 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1dxr s LEU 90 N 2.94 2.23 0.06 -0.35 1.43 -1.26 -1.75 118.68 121.98 1dxr s LEU 90 Ca 0.50 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1dxr s LEU 90 Cb 0.11 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 46.13 1dxr s LEU 90 CO -0.03 -0.18 -0.16 0.00 0.23 0.00 0.00 176.35 176.21 1dxr s ALA 91 N -1.27 1.33 0.10 4.21 0.00 0.78 -4.83 121.76 122.08 1dxr s ALA 91 Ca -0.09 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.59 1dxr s ALA 91 Cb -0.09 -0.18 -0.08 0.00 0.00 0.00 0.00 23.12 22.76 1dxr s ALA 91 CO 0.00 0.24 1.57 -0.65 0.00 0.00 0.00 175.76 176.93 1dxr s GLN 92 N -1.45 4.23 0.33 0.00 -0.21 -1.26 -0.23 119.66 121.06 1dxr s GLN 92 Ca 0.02 2.27 0.14 0.00 0.02 0.00 0.00 55.36 57.81 1dxr s GLN 92 Cb -0.09 -3.42 0.54 0.00 1.00 0.00 0.00 33.01 31.04 1dxr s GLN 92 CO 0.02 -0.64 1.69 1.79 -2.12 0.00 0.00 175.29 176.03 1dxr h THR 93 N 4.51 1.21 -3.64 -0.19 1.35 -1.72 -3.47 112.91 110.96 1dxr h THR 93 Ca -0.42 -1.77 -0.07 0.00 -0.55 0.00 0.00 66.41 63.60 1dxr h THR 93 Cb 1.20 1.99 -0.11 0.00 -1.73 0.00 0.00 68.15 69.50 1dxr h THR 93 CO 0.91 0.48 -0.16 -0.62 -0.25 0.00 0.00 175.52 175.89 1dxr s ASP 94 N -6.71 -0.09 0.16 5.36 2.15 -1.26 -5.07 116.67 111.21 1dxr s ASP 94 Ca -0.01 -0.75 0.06 0.00 0.43 0.00 0.00 52.55 52.27 1dxr s ASP 94 Cb 0.12 0.51 -0.06 0.00 -0.30 0.00 0.00 42.92 43.19 1dxr s ASP 94 CO 0.73 -1.00 1.35 1.23 -0.17 0.00 0.00 175.17 177.31 1dxr h GLY 95 N 2.37 0.07 -5.44 2.66 0.00 -1.98 -3.45 103.07 97.30 1dxr h GLY 95 Ca -0.29 -0.14 -0.72 0.00 0.00 0.00 0.00 47.33 46.17 1dxr h GLY 95 CO 0.42 0.13 -0.19 0.33 0.00 0.00 0.00 176.54 177.23 1dxr n PHE 96 N -3.52 0.15 0.07 5.60 7.35 -1.26 -4.88 117.46 120.98 1dxr n PHE 96 Ca -0.02 1.00 0.05 0.00 -0.76 0.00 0.00 57.45 57.72 1dxr n PHE 96 Cb 0.86 -1.98 0.47 0.00 0.35 0.00 0.00 39.48 39.17 1dxr n PHE 96 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1dxr h GLU 97 N 2.09 0.38 -0.61 -4.13 4.81 -2.04 -1.78 114.58 113.31 1dxr h GLU 97 Ca -0.40 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1dxr h GLU 97 Cb 1.40 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1dxr h GLU 97 CO 0.60 0.28 0.00 0.41 -0.73 0.00 0.00 179.01 179.57 1dxr n GLY 98 N -1.40 1.99 3.77 1.92 0.00 -1.26 -4.95 105.19 105.25 1dxr n GLY 98 Ca 0.01 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 1dxr n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxr s ALA 99 N -1.59 3.27 0.56 4.61 0.00 -0.67 -5.00 121.76 122.93 1dxr s ALA 99 Ca 0.39 1.08 -0.20 0.00 0.00 0.00 0.00 51.96 53.24 1dxr s ALA 99 Cb 0.24 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1dxr s ALA 99 CO 0.22 -0.59 1.17 -1.25 0.00 0.00 0.00 175.76 175.32 1dxr s PRO 100 N -2.10 3.22 0.55 0.00 0.04 -1.26 -4.83 135.00 130.63 1dxr s PRO 100 Ca 0.54 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.30 1dxr s PRO 100 Cb -0.34 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1dxr s PRO 100 CO 0.44 -0.99 0.82 -0.51 0.04 0.00 0.00 177.00 176.81 1dxr s LEU 101 N -3.83 3.32 -0.06 -3.56 1.43 -1.26 -1.98 118.68 112.74 1dxr s LEU 101 Ca 0.74 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 54.13 1dxr s LEU 101 Cb -0.28 -3.25 0.03 0.00 0.03 0.00 0.00 46.19 42.72 1dxr s LEU 101 CO 0.31 -1.03 0.31 0.00 0.23 0.00 0.00 176.35 176.16 1dxr s GLN 102 N -4.85 0.53 0.16 1.70 -2.07 0.67 -4.85 119.66 110.96 1dxr s GLN 102 Ca 0.54 0.08 -0.31 0.00 -1.82 0.00 0.00 55.36 53.84 1dxr s GLN 102 Cb -0.10 0.24 -0.11 0.00 -1.09 0.00 0.00 33.01 31.95 1dxr s GLN 102 CO 0.42 -0.12 1.71 -2.14 -1.32 0.00 0.00 175.29 173.83 1dxr s PRO 103 N -0.67 4.16 0.22 9.60 0.02 -1.26 -0.15 135.00 146.91 1dxr s PRO 103 Ca -0.08 2.51 0.23 0.00 0.02 0.00 0.00 61.00 63.69 1dxr s PRO 103 Cb -0.04 -3.30 0.23 0.00 0.02 0.00 0.00 34.50 31.41 1dxr s PRO 103 CO 0.02 -0.74 1.29 1.79 -0.33 0.00 0.00 177.00 179.03 1dxr h THR 104 N 4.22 0.00 0.00 0.99 1.35 -1.66 -3.46 112.91 114.35 1dxr h THR 104 Ca -0.44 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1dxr h THR 104 Cb 1.21 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1dxr h THR 104 CO 0.94 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.82 1dxr n GLY 105 N 1.23 4.52 3.47 5.82 0.00 -1.26 -5.07 105.19 113.90 1dxr n GLY 105 Ca 0.02 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 1dxr n GLY 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dxr s ASN 106 N 1.00 6.23 0.51 1.61 3.84 -1.26 -4.95 114.94 121.91 1dxr s ASN 106 Ca 0.00 -0.73 0.20 0.00 0.21 0.00 0.00 52.86 52.54 1dxr s ASN 106 Cb 0.00 -2.26 1.30 0.00 -0.55 0.00 0.00 41.25 39.74 1dxr s ASN 106 CO 0.00 -0.73 2.10 1.55 -2.79 0.00 0.00 177.10 177.23 1dxr h PRO 107 N 8.85 0.00 -0.18 0.43 0.13 -1.94 0.65 132.00 139.95 1dxr h PRO 107 Ca -0.27 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1dxr h PRO 107 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1dxr h PRO 107 CO 0.88 0.09 -0.25 -0.07 -0.23 0.00 0.00 178.00 178.42 1dxr h LEU 108 N 0.00 0.52 0.14 1.56 3.38 -1.93 0.80 115.31 119.79 1dxr h LEU 108 Ca -0.00 -0.52 -0.30 0.00 0.09 0.00 0.00 57.88 57.15 1dxr h LEU 108 Cb 0.18 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 40.81 1dxr h LEU 108 CO 0.01 0.94 -1.30 0.58 0.09 0.00 0.00 178.44 178.76 1dxr h VAL 109 N 0.13 1.31 0.00 1.22 2.07 -1.81 -3.17 116.25 116.00 1dxr h VAL 109 Ca 0.02 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.94 1dxr h VAL 109 Cb 0.82 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1dxr h VAL 109 CO 0.06 0.78 0.00 0.47 0.02 0.00 0.00 177.57 178.90 1dxr n ASP 110 N -3.74 0.26 -3.44 0.57 8.00 0.22 -4.93 116.55 113.50 1dxr n ASP 110 Ca -0.14 0.55 -0.22 0.00 0.71 0.00 0.00 54.79 55.70 1dxr n ASP 110 Cb 1.02 -0.61 0.05 0.00 -0.02 0.00 0.00 41.12 41.56 1dxr n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dxr n ALA 111 N -1.60 -2.53 -2.30 2.24 0.00 0.23 -4.77 120.51 111.79 1dxr n ALA 111 Ca 0.04 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1dxr n ALA 111 Cb 0.25 -4.70 -0.10 0.00 0.00 0.00 0.00 19.45 14.89 1dxr n ALA 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1dxr s VAL 112 N -3.39 1.35 0.00 0.00 -7.23 -0.95 -3.89 120.40 106.28 1dxr s VAL 112 Ca 0.43 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1dxr s VAL 112 Cb -0.11 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.85 1dxr s VAL 112 CO 0.80 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 1dxr n GLY 113 N -0.29 1.97 0.00 2.32 0.00 -1.26 -1.86 105.19 106.07 1dxr n GLY 113 Ca -0.09 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.45 1dxr n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dxr n PRO 114 N 13.15 0.30 -0.23 1.61 -0.04 -1.26 -1.88 135.00 146.65 1dxr n PRO 114 Ca 0.00 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 1dxr n PRO 114 Cb 0.00 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.23 1dxr n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dxr n ALA 115 N -1.11 2.42 -1.78 0.55 0.00 -0.77 -3.12 120.51 116.71 1dxr n ALA 115 Ca 0.08 -0.98 -0.37 0.00 0.00 0.00 0.00 53.44 52.17 1dxr n ALA 115 Cb 0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1dxr n ALA 115 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1dxr s SER 116 N -1.27 6.51 0.39 0.00 0.01 -0.79 -4.08 113.70 114.47 1dxr s SER 116 Ca 0.39 2.15 0.08 0.00 1.31 0.00 0.00 55.95 59.88 1dxr s SER 116 Cb 0.22 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.79 1dxr s SER 116 CO 0.29 -0.67 0.10 -0.72 0.41 0.00 0.00 173.24 172.65 1dxr s TYR 117 N -1.61 2.58 0.32 2.43 1.13 -1.26 -4.77 117.35 116.16 1dxr s TYR 117 Ca 0.60 -0.56 0.01 0.00 -1.41 0.00 0.00 57.07 55.71 1dxr s TYR 117 Cb -0.25 -1.80 -0.03 0.00 -1.10 0.00 0.00 41.96 38.78 1dxr s TYR 117 CO 0.31 0.31 0.51 0.00 -2.51 0.00 0.00 175.55 174.17 1dxr s ALA 118 N -2.60 3.75 -1.01 9.51 0.00 -1.26 -4.97 121.76 125.18 1dxr s ALA 118 Ca 0.38 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 1dxr s ALA 118 Cb 0.04 -2.03 -0.11 0.00 0.00 0.00 0.00 23.12 21.02 1dxr s ALA 118 CO 0.21 0.04 3.09 0.39 0.00 0.00 0.00 175.76 179.49 1dxr n GLU 119 N -1.69 3.20 -0.53 0.00 -0.58 -1.26 -4.90 120.64 114.88 1dxr n GLU 119 Ca -0.06 -1.99 -0.29 0.00 -0.42 0.00 0.00 57.16 54.40 1dxr n GLU 119 Cb 0.56 -2.49 0.24 0.00 -0.57 0.00 0.00 31.44 29.18 1dxr n GLU 119 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1dxr s ARG 120 N 1.14 -0.61 0.40 3.49 1.81 -1.26 -4.96 118.95 118.96 1dxr s ARG 120 Ca 0.66 1.03 -0.26 0.00 -1.72 0.00 0.00 55.73 55.45 1dxr s ARG 120 Cb 0.24 -1.58 -0.09 0.00 -0.45 0.00 0.00 34.95 33.08 1dxr s ARG 120 CO -0.06 -3.57 1.21 0.00 -0.68 0.00 0.00 175.30 172.20 1dxr s ALA 121 N -2.47 3.19 -1.19 2.13 0.00 -1.26 -4.44 121.76 117.72 1dxr s ALA 121 Ca 0.68 1.04 -0.08 0.00 0.00 0.00 0.00 51.96 53.61 1dxr s ALA 121 Cb -0.25 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 1dxr s ALA 121 CO 0.64 -0.61 3.02 0.39 0.00 0.00 0.00 175.76 179.19 1dxr n GLU 122 N 0.12 3.42 -4.29 0.00 -0.58 -1.26 -1.98 120.64 116.07 1dxr n GLU 122 Ca 0.04 -2.13 -0.24 0.00 -0.42 0.00 0.00 57.16 54.41 1dxr n GLU 122 Cb 0.46 -2.58 -0.13 0.00 -0.57 0.00 0.00 31.44 28.62 1dxr n GLU 122 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1dxr s VAL 123 N 1.25 1.68 -0.19 2.62 -7.23 -1.26 -4.92 120.40 112.35 1dxr s VAL 123 Ca 0.67 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 59.02 1dxr s VAL 123 Cb 0.22 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 1dxr s VAL 123 CO -0.06 -0.06 1.19 -0.69 -0.31 0.00 0.00 175.10 175.17 1dxr s VAL 124 N -1.16 4.41 0.43 1.32 1.01 -1.26 0.35 120.40 125.51 1dxr s VAL 124 Ca 0.06 1.71 -0.26 0.00 0.00 0.00 0.00 61.98 63.49 1dxr s VAL 124 Cb -0.10 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 1dxr s VAL 124 CO 0.04 -0.15 1.45 -0.67 0.00 0.00 0.00 175.10 175.77 1dxr n ASP 125 N 6.50 3.46 -4.51 3.32 2.03 -1.26 -4.90 116.55 121.19 1dxr n ASP 125 Ca 0.13 1.16 -0.25 0.00 0.52 0.00 0.00 54.79 56.35 1dxr n ASP 125 Cb 0.45 -1.61 -0.10 0.00 -0.72 0.00 0.00 41.12 39.15 1dxr n ASP 125 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dxr s ALA 126 N -1.17 2.83 0.96 -1.67 0.00 -1.26 -0.56 121.76 120.89 1dxr s ALA 126 Ca 0.58 -1.73 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 1dxr s ALA 126 Cb -0.46 -0.45 0.19 0.00 0.00 0.00 0.00 23.12 22.40 1dxr s ALA 126 CO 0.60 0.33 1.26 0.95 0.00 0.00 0.00 175.76 178.89 1dxr s THR 127 N -2.21 1.95 0.33 0.00 -4.23 0.86 -4.68 115.64 107.65 1dxr s THR 127 Ca 0.28 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.06 1dxr s THR 127 Cb -0.06 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.15 1dxr s THR 127 CO 0.15 0.00 2.00 1.62 -0.54 0.00 0.00 174.62 177.85 1dxr h VAL 128 N -1.66 0.52 -0.50 2.29 3.04 -1.98 -1.45 116.25 116.52 1dxr h VAL 128 Ca -0.45 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.54 1dxr h VAL 128 Cb 1.27 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 32.02 1dxr h VAL 128 CO 0.44 0.14 0.00 -0.90 -1.01 0.00 0.00 177.57 176.24 1dxr n ASP 129 N -3.52 4.01 0.00 3.17 5.75 -1.26 -4.95 116.55 119.76 1dxr n ASP 129 Ca -0.01 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 1dxr n ASP 129 Cb 0.29 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1dxr n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dxr n GLY 130 N 0.72 0.77 3.93 6.12 0.00 -0.54 -5.08 105.19 111.10 1dxr n GLY 130 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1dxr n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dxr s LYS 131 N -0.97 3.19 0.21 1.61 -0.14 -1.26 -4.73 119.74 117.65 1dxr s LYS 131 Ca 0.00 -0.12 -0.32 0.00 -1.36 0.00 0.00 55.97 54.18 1dxr s LYS 131 Cb 0.00 -2.42 -0.12 0.00 -1.68 0.00 0.00 37.83 33.61 1dxr s LYS 131 CO 0.00 -0.35 1.71 0.00 -0.76 0.00 0.00 175.35 175.94 1dxr s ALA 132 N -2.73 3.92 -0.13 5.17 0.00 -1.26 -0.10 121.76 126.64 1dxr s ALA 132 Ca 0.49 1.58 -0.28 0.00 0.00 0.00 0.00 51.96 53.75 1dxr s ALA 132 Cb -0.10 -3.69 -0.27 0.00 0.00 0.00 0.00 23.12 19.06 1dxr s ALA 132 CO 0.42 -0.92 0.79 -0.22 0.00 0.00 0.00 175.76 175.83 1dxr h LYS 133 N 6.67 0.05 -4.53 0.00 3.64 -1.11 -3.43 116.57 117.87 1dxr h LYS 133 Ca -0.43 -0.08 -0.72 0.00 -1.27 0.00 0.00 60.65 58.15 1dxr h LYS 133 Cb 1.20 0.03 -0.22 0.00 -0.41 0.00 0.00 32.23 32.83 1dxr h LYS 133 CO 0.95 1.04 -0.46 0.42 -2.27 0.00 0.00 179.45 179.12 1dxr s ILE 134 N -2.25 5.01 0.03 2.00 1.09 -1.26 -1.49 121.20 124.32 1dxr s ILE 134 Ca -0.18 -0.74 -0.02 0.00 -1.10 0.00 0.00 60.65 58.61 1dxr s ILE 134 Cb -0.02 -3.80 -0.02 0.00 -1.06 0.00 0.00 42.46 37.56 1dxr s ILE 134 CO 0.71 -0.29 0.00 0.68 -0.10 0.00 0.00 174.94 175.95 1dxr s VAL 135 N 1.63 0.13 0.68 2.92 -7.23 -0.90 -4.31 120.40 113.31 1dxr s VAL 135 Ca 0.04 -1.09 -0.15 0.00 -1.81 0.00 0.00 61.98 58.96 1dxr s VAL 135 Cb -0.19 -0.62 0.01 0.00 0.56 0.00 0.00 36.38 36.14 1dxr s VAL 135 CO 0.09 -0.60 1.13 -2.16 -0.31 0.00 0.00 175.10 173.25 1dxr s PRO 136 N -2.10 2.64 0.54 4.82 0.04 -1.26 -1.43 135.00 138.24 1dxr s PRO 136 Ca -0.10 1.48 0.31 0.00 0.04 0.00 0.00 61.00 62.74 1dxr s PRO 136 Cb -0.05 -1.92 1.47 0.00 0.04 0.00 0.00 34.50 34.03 1dxr s PRO 136 CO -0.03 -1.39 2.04 -0.07 0.04 0.00 0.00 177.00 177.59 1dxr h LEU 137 N -0.04 0.00 -1.91 -3.56 3.38 -1.30 0.14 115.31 112.03 1dxr h LEU 137 Ca -0.47 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.73 1dxr h LEU 137 Cb 1.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1dxr h LEU 137 CO 0.53 0.09 0.68 0.08 0.09 0.00 0.00 178.44 179.90 1dxr h ARG 138 N 0.00 0.00 0.00 1.13 0.11 -1.91 -3.01 114.38 110.70 1dxr h ARG 138 Ca -0.00 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.73 1dxr h ARG 138 Cb 0.42 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.45 1dxr h ARG 138 CO 0.01 0.00 -2.18 0.28 0.10 0.00 0.00 179.97 178.18 1dxr n VAL 139 N -3.97 1.16 -2.40 0.08 0.31 -0.01 -4.77 118.33 108.73 1dxr n VAL 139 Ca 0.17 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.77 1dxr n VAL 139 Cb 0.96 -1.74 -0.01 0.00 -0.91 0.00 0.00 33.84 32.14 1dxr n VAL 139 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dxr n ALA 140 N -3.88 3.71 0.13 3.52 0.00 0.29 -4.72 120.51 119.56 1dxr n ALA 140 Ca -0.41 -3.79 0.06 0.00 0.00 0.00 0.00 53.44 49.29 1dxr n ALA 140 Cb 0.80 -3.59 0.03 0.00 0.00 0.00 0.00 19.45 16.69 1dxr n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dxr h THR 141 N 5.37 0.43 -0.15 0.00 1.03 -1.86 -1.51 112.91 116.22 1dxr h THR 141 Ca 0.45 -1.67 0.00 0.00 -0.01 0.00 0.00 66.41 65.18 1dxr h THR 141 Cb 0.84 2.08 0.00 0.00 -1.07 0.00 0.00 68.15 70.00 1dxr h THR 141 CO 1.51 0.25 0.00 -0.90 -0.01 0.00 0.00 175.52 176.37 1dxr n ASP 142 N -3.03 1.00 -4.88 0.00 5.68 -1.26 -4.82 116.55 109.25 1dxr n ASP 142 Ca -0.00 -1.79 -0.28 0.00 -0.50 0.00 0.00 54.79 52.22 1dxr n ASP 142 Cb 0.68 -0.10 -0.04 0.00 -1.14 0.00 0.00 41.12 40.52 1dxr n ASP 142 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1dxr s PHE 143 N -1.81 3.37 0.23 2.11 0.40 -0.57 -5.12 117.98 116.59 1dxr s PHE 143 Ca 0.22 0.12 -0.10 0.00 -0.60 0.00 0.00 56.93 56.57 1dxr s PHE 143 Cb 0.11 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 1dxr s PHE 143 CO 0.17 0.54 0.38 -1.54 0.70 0.00 0.00 175.22 175.47 1dxr s SER 144 N -2.87 -0.02 -0.02 1.36 1.04 -1.26 -5.01 113.70 106.92 1dxr s SER 144 Ca 0.33 -1.05 -0.25 0.00 0.48 0.00 0.00 55.95 55.45 1dxr s SER 144 Cb -0.12 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1dxr s SER 144 CO 0.26 -1.05 0.79 -0.63 0.98 0.00 0.00 173.24 173.58 1dxr s ILE 145 N -4.06 4.92 0.46 -1.02 1.01 -1.26 -5.02 121.20 116.24 1dxr s ILE 145 Ca 0.27 1.65 -0.25 0.00 0.00 0.00 0.00 60.65 62.32 1dxr s ILE 145 Cb 0.01 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 1dxr s ILE 145 CO 0.10 0.26 1.42 0.00 0.00 0.00 0.00 174.94 176.71 1dxr s ALA 146 N 0.63 3.20 -0.05 9.38 0.00 -1.26 -4.88 121.76 128.77 1dxr s ALA 146 Ca 0.41 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.53 1dxr s ALA 146 Cb -0.19 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 1dxr s ALA 146 CO 0.22 -1.21 1.59 -2.00 0.00 0.00 0.00 175.76 174.36 1dxr s GLU 147 N -2.50 4.20 0.00 0.00 2.12 -1.26 -2.08 118.70 119.18 1dxr s GLU 147 Ca 0.62 2.13 0.00 0.00 0.36 0.00 0.00 54.97 58.08 1dxr s GLU 147 Cb -0.43 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.06 1dxr s GLU 147 CO 0.55 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1dxr n GLY 148 N 4.02 1.48 3.90 -1.50 0.00 -1.26 -5.11 105.19 106.73 1dxr n GLY 148 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1dxr n GLY 148 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dxr s ASP 149 N -1.12 6.21 0.19 1.61 1.01 -0.88 -5.04 116.67 118.65 1dxr s ASP 149 Ca 0.00 0.19 -0.32 0.00 0.71 0.00 0.00 52.55 53.12 1dxr s ASP 149 Cb 0.00 -1.86 -0.12 0.00 1.01 0.00 0.00 42.92 41.94 1dxr s ASP 149 CO 0.00 0.13 1.70 0.52 0.21 0.00 0.00 175.17 177.73 1dxr n VAL 150 N 0.03 0.02 -3.01 -1.27 0.31 -1.26 -4.92 118.33 108.23 1dxr n VAL 150 Ca -0.06 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.84 1dxr n VAL 150 Cb 0.52 -1.89 -0.06 0.00 -0.91 0.00 0.00 33.84 31.50 1dxr n VAL 150 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1dxr s ASP 151 N 1.19 6.41 0.00 4.52 -1.08 -1.26 -4.96 116.67 121.48 1dxr s ASP 151 Ca 0.76 -0.08 0.28 0.00 -0.52 0.00 0.00 52.55 52.99 1dxr s ASP 151 Cb -0.54 -2.37 1.06 0.00 -1.46 0.00 0.00 42.92 39.61 1dxr s ASP 151 CO 0.34 -0.83 1.80 -0.81 0.52 0.00 0.00 175.17 176.19 1dxr n PRO 152 N 6.51 0.05 -1.74 4.34 -0.04 -1.26 -4.82 135.00 138.05 1dxr n PRO 152 Ca 0.01 -0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1dxr n PRO 152 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1dxr n PRO 152 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1dxr s ARG 153 N -2.95 4.15 0.00 0.54 0.52 -1.26 -0.89 118.95 119.05 1dxr s ARG 153 Ca 0.15 2.55 0.00 0.00 -0.52 0.00 0.00 55.73 57.90 1dxr s ARG 153 Cb 0.19 -3.85 0.00 0.00 0.52 0.00 0.00 34.95 31.81 1dxr s ARG 153 CO 0.57 -0.88 0.00 0.41 0.02 0.00 0.00 175.30 175.42 1dxr n GLY 154 N 4.33 3.26 3.78 -3.53 0.00 0.11 -5.00 105.19 108.13 1dxr n GLY 154 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1dxr n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dxr s LEU 155 N 0.00 4.09 0.45 0.99 1.43 -0.07 -4.66 118.68 120.90 1dxr s LEU 155 Ca 0.00 2.02 -0.23 0.00 -1.03 0.00 0.00 54.13 54.89 1dxr s LEU 155 Cb 0.00 -4.25 -0.08 0.00 0.03 0.00 0.00 46.19 41.89 1dxr s LEU 155 CO 0.00 -0.54 1.11 -2.16 0.23 0.00 0.00 176.35 174.99 1dxr s PRO 156 N -2.63 3.88 -0.22 1.29 0.04 -1.26 -0.91 135.00 135.18 1dxr s PRO 156 Ca 0.59 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 63.19 1dxr s PRO 156 Cb -0.21 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1dxr s PRO 156 CO 0.26 -0.42 0.12 0.08 0.04 0.00 0.00 177.00 177.08 1dxr s VAL 157 N -1.63 5.06 -0.22 -0.36 1.01 -0.31 -1.23 120.40 122.72 1dxr s VAL 157 Ca 0.62 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 1dxr s VAL 157 Cb -0.25 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1dxr s VAL 157 CO 0.31 0.39 0.00 -0.69 0.00 0.00 0.00 175.10 175.11 1dxr s VAL 158 N 0.85 3.83 0.65 2.92 1.01 0.63 -0.38 120.40 129.91 1dxr s VAL 158 Ca 0.06 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 1dxr s VAL 158 Cb -0.13 -2.75 0.15 0.00 0.00 0.00 0.00 36.38 33.64 1dxr s VAL 158 CO 0.03 0.40 0.89 0.00 0.00 0.00 0.00 175.10 176.41 1dxr n ALA 159 N 4.63 -0.81 0.15 5.51 0.00 -0.43 -0.96 120.51 128.60 1dxr n ALA 159 Ca -0.17 -1.26 0.04 0.00 0.00 0.00 0.00 53.44 52.05 1dxr n ALA 159 Cb 0.51 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.42 1dxr n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dxr h ALA 160 N -1.57 1.64 -0.02 0.00 0.00 -0.14 -0.32 119.26 118.86 1dxr h ALA 160 Ca -0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1dxr h ALA 160 Cb 0.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1dxr h ALA 160 CO 0.22 0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 1dxr n ASP 161 N -4.34 0.32 0.00 0.00 5.75 -1.26 -4.87 116.55 112.15 1dxr n ASP 161 Ca -0.01 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1dxr n ASP 161 Cb 0.22 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1dxr n ASP 161 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dxr n GLY 162 N 0.41 1.00 3.83 6.12 0.00 -0.13 -4.97 105.19 111.45 1dxr n GLY 162 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1dxr n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dxr s VAL 163 N -3.14 4.82 0.17 1.61 1.01 -1.26 -4.77 120.40 118.84 1dxr s VAL 163 Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 1dxr s VAL 163 Cb 0.00 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 1dxr s VAL 163 CO 0.00 0.45 1.18 -0.70 0.00 0.00 0.00 175.10 176.03 1dxr s GLU 164 N -1.40 4.50 -0.00 2.72 2.12 -1.26 -1.31 118.70 124.07 1dxr s GLU 164 Ca 0.31 1.83 0.04 0.00 0.36 0.00 0.00 54.97 57.51 1dxr s GLU 164 Cb -0.18 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 1dxr s GLU 164 CO 0.18 -0.08 0.15 0.00 -0.54 0.00 0.00 175.26 174.98 1dxr n ALA 165 N 2.66 2.45 0.00 6.30 0.00 0.49 -4.91 120.51 127.50 1dxr n ALA 165 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1dxr n ALA 165 Cb 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1dxr n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dxr n GLY 166 N 1.30 -1.25 2.91 0.00 0.00 -1.24 -0.70 105.19 106.20 1dxr n GLY 166 Ca 0.00 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 1dxr n GLY 166 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dxr s THR 167 N -3.00 0.57 0.03 2.61 2.01 -0.63 -1.16 115.64 116.08 1dxr s THR 167 Ca 0.00 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 1dxr s THR 167 Cb 0.00 -0.58 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 1dxr s THR 167 CO 0.00 0.23 1.45 -0.69 -0.69 0.00 0.00 174.62 174.92 1dxr s VAL 168 N 0.82 3.50 -0.16 3.82 1.01 -0.09 -0.71 120.40 128.60 1dxr s VAL 168 Ca -0.11 0.94 0.10 0.00 0.00 0.00 0.00 61.98 62.91 1dxr s VAL 168 Cb -0.14 -3.60 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 1dxr s VAL 168 CO 0.01 0.01 0.29 0.35 0.00 0.00 0.00 175.10 175.76 1dxr n THR 169 N 4.55 0.00 -3.62 3.92 -2.24 0.35 0.07 114.28 117.31 1dxr n THR 169 Ca 0.13 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 1dxr n THR 169 Cb 0.43 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 1dxr n THR 169 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dxr s ASP 170 N -2.83 -0.33 -0.03 3.42 -1.08 -1.12 -4.85 116.67 109.84 1dxr s ASP 170 Ca -0.02 -0.22 0.07 0.00 -0.52 0.00 0.00 52.55 51.87 1dxr s ASP 170 Cb 0.07 0.51 -0.02 0.00 -1.46 0.00 0.00 42.92 42.02 1dxr s ASP 170 CO 0.43 -0.89 -0.25 -0.76 0.52 0.00 0.00 175.17 174.22 1dxr s LEU 171 N -2.75 2.10 -0.24 -1.34 1.02 -1.26 -0.79 118.68 115.42 1dxr s LEU 171 Ca 0.07 -0.46 -0.10 0.00 0.02 0.00 0.00 54.13 53.66 1dxr s LEU 171 Cb -0.02 -1.36 -0.05 0.00 0.02 0.00 0.00 46.19 44.78 1dxr s LEU 171 CO -0.04 0.30 0.15 0.26 0.02 0.00 0.00 176.35 177.04 1dxr s TRP 172 N -0.49 3.30 0.02 0.29 0.52 -0.08 -0.90 118.94 121.59 1dxr s TRP 172 Ca 0.06 0.18 0.01 0.00 0.02 0.00 0.00 56.10 56.37 1dxr s TRP 172 Cb -0.11 -2.26 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1dxr s TRP 172 CO 0.00 0.04 0.05 0.54 0.02 0.00 0.00 176.95 177.60 1dxr s VAL 173 N 1.08 4.45 -0.43 4.03 0.11 -0.51 -1.19 120.40 127.94 1dxr s VAL 173 Ca 0.07 -0.57 -0.23 0.00 -2.93 0.00 0.00 61.98 58.31 1dxr s VAL 173 Cb -0.14 -3.04 0.02 0.00 -1.53 0.00 0.00 36.38 31.69 1dxr s VAL 173 CO 0.05 0.31 0.81 -0.62 -3.33 0.00 0.00 175.10 172.31 1dxr s ASP 174 N -1.82 6.46 0.20 3.54 -1.08 0.90 -2.12 116.67 122.75 1dxr s ASP 174 Ca 0.23 0.05 0.26 0.00 -0.52 0.00 0.00 52.55 52.57 1dxr s ASP 174 Cb -0.12 -2.40 0.79 0.00 -1.46 0.00 0.00 42.92 39.73 1dxr s ASP 174 CO 0.14 -0.89 1.75 0.54 0.52 0.00 0.00 175.17 177.24 1dxr n ARG 175 N 6.71 0.26 0.10 4.34 1.74 -0.56 -0.05 116.66 129.20 1dxr n ARG 175 Ca 0.03 0.20 -0.16 0.00 -0.77 0.00 0.00 57.85 57.15 1dxr n ARG 175 Cb 0.48 -1.79 -0.13 0.00 -1.02 0.00 0.00 32.46 30.00 1dxr n ARG 175 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1dxr h SER 176 N 0.00 0.46 -0.00 0.55 0.02 -1.92 -3.39 113.55 109.27 1dxr h SER 176 Ca 0.00 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1dxr h SER 176 Cb 0.73 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1dxr h SER 176 CO 0.00 1.36 -0.17 -0.62 -1.14 0.00 0.00 176.83 176.27 1dxr n GLU 177 N -3.57 3.08 -3.06 3.45 1.02 -1.19 -5.03 120.64 115.35 1dxr n GLU 177 Ca -0.09 -0.34 -0.09 0.00 -0.02 0.00 0.00 57.16 56.62 1dxr n GLU 177 Cb 1.01 -0.91 0.04 0.00 -0.02 0.00 0.00 31.44 31.56 1dxr n GLU 177 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1dxr n HIS 178 N -0.55 -2.46 -3.65 -0.32 8.25 0.92 -5.02 115.22 112.38 1dxr n HIS 178 Ca 0.02 0.89 -0.05 0.00 -0.26 0.00 0.00 57.72 58.32 1dxr n HIS 178 Cb 0.12 -3.98 -0.07 0.00 1.12 0.00 0.00 29.99 27.19 1dxr n HIS 178 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1dxr s TYR 179 N -3.23 -1.08 0.26 4.41 5.04 -1.06 -4.96 117.35 116.73 1dxr s TYR 179 Ca 0.27 2.00 -0.29 0.00 -2.44 0.00 0.00 57.07 56.61 1dxr s TYR 179 Cb -0.04 0.60 -0.09 0.00 0.35 0.00 0.00 41.96 42.78 1dxr s TYR 179 CO 0.69 -0.56 1.20 -0.06 -1.34 0.00 0.00 175.55 175.49 1dxr s PHE 180 N 2.31 3.36 0.00 4.97 0.08 -1.26 -0.07 117.98 127.37 1dxr s PHE 180 Ca -0.07 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.48 1dxr s PHE 180 Cb -0.10 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 1dxr s PHE 180 CO -0.17 -1.22 0.00 0.54 -0.10 0.00 0.00 175.22 174.26 1dxr n ARG 181 N 1.61 3.07 -4.15 0.44 1.74 -0.33 -4.87 116.66 114.18 1dxr n ARG 181 Ca 0.01 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.99 1dxr n ARG 181 Cb 0.44 -0.95 -0.10 0.00 -1.02 0.00 0.00 32.46 30.82 1dxr n ARG 181 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1dxr s TYR 182 N -1.89 0.83 0.04 -1.55 1.51 -1.19 -0.74 117.35 114.36 1dxr s TYR 182 Ca 0.00 -0.84 0.02 0.00 -1.01 0.00 0.00 57.07 55.24 1dxr s TYR 182 Cb 0.00 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 1dxr s TYR 182 CO 0.00 -0.14 0.04 -0.51 -1.11 0.00 0.00 175.55 173.82 1dxr s LEU 183 N -2.75 3.66 -0.10 -1.29 1.43 0.47 -0.90 118.68 119.20 1dxr s LEU 183 Ca 0.07 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1dxr s LEU 183 Cb 0.02 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1dxr s LEU 183 CO -0.04 0.23 -0.07 -0.70 0.23 0.00 0.00 176.35 176.00 1dxr s GLU 184 N -1.96 3.12 0.06 1.70 2.12 0.03 -0.29 118.70 123.49 1dxr s GLU 184 Ca 0.24 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 55.05 1dxr s GLU 184 Cb -0.12 -2.70 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 1dxr s GLU 184 CO 0.16 0.47 -0.12 -0.48 -0.54 0.00 0.00 175.26 174.75 1dxr s LEU 185 N -0.29 2.28 -0.15 2.70 2.34 -0.32 -0.50 118.68 124.74 1dxr s LEU 185 Ca 0.04 -0.61 -0.25 0.00 0.06 0.00 0.00 54.13 53.37 1dxr s LEU 185 Cb -0.13 -0.38 -0.02 0.00 -0.56 0.00 0.00 46.19 45.10 1dxr s LEU 185 CO 0.02 -0.13 0.81 -0.55 -1.06 0.00 0.00 176.35 175.44 1dxr s SER 186 N -1.74 6.97 -0.26 1.48 0.15 0.12 -1.47 113.70 118.94 1dxr s SER 186 Ca -0.04 1.18 -0.27 0.00 0.70 0.00 0.00 55.95 57.53 1dxr s SER 186 Cb -0.09 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1dxr s SER 186 CO 0.01 -0.34 0.93 -0.69 1.20 0.00 0.00 173.24 174.36 1dxr s VAL 187 N 1.87 4.72 -0.02 4.45 1.01 -0.31 -1.61 120.40 130.51 1dxr s VAL 187 Ca 0.38 1.67 -0.36 0.00 0.00 0.00 0.00 61.98 63.68 1dxr s VAL 187 Cb -0.17 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 1dxr s VAL 187 CO 0.14 -0.21 1.66 0.00 0.00 0.00 0.00 175.10 176.69 1dxr n ALA 188 N 6.30 0.46 -0.75 5.51 0.00 0.12 -1.66 120.51 130.48 1dxr n ALA 188 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1dxr n ALA 188 Cb 0.47 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1dxr n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dxr n GLY 189 N 3.71 0.98 3.89 0.00 0.00 -1.26 -4.95 105.19 107.57 1dxr n GLY 189 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1dxr n GLY 189 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dxr s SER 190 N -2.87 5.11 -0.74 1.61 0.01 -0.67 -5.07 113.70 111.09 1dxr s SER 190 Ca 0.00 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 56.59 1dxr s SER 190 Cb 0.00 -0.59 0.28 0.00 0.21 0.00 0.00 66.02 65.92 1dxr s SER 190 CO 0.00 -0.65 0.99 0.00 0.41 0.00 0.00 173.24 173.99 1dxr n ALA 191 N -1.57 4.52 -3.48 1.44 0.00 -1.26 -4.70 120.51 115.45 1dxr n ALA 191 Ca 0.04 -4.76 -0.17 0.00 0.00 0.00 0.00 53.44 48.54 1dxr n ALA 191 Cb 0.61 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1dxr n ALA 191 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1dxr s ARG 192 N -2.84 1.05 0.47 0.00 1.70 -1.26 -5.08 118.95 112.99 1dxr s ARG 192 Ca 0.40 0.16 -0.01 0.00 -0.47 0.00 0.00 55.73 55.80 1dxr s ARG 192 Cb 0.16 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 35.02 1dxr s ARG 192 CO -0.02 -0.34 0.72 0.95 -1.08 0.00 0.00 175.30 175.53 1dxr s THR 193 N -1.44 4.06 -0.03 4.99 -4.23 -1.26 -1.16 115.64 116.58 1dxr s THR 193 Ca -0.10 -0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 60.02 1dxr s THR 193 Cb -0.00 -3.52 0.01 0.00 1.34 0.00 0.00 72.50 70.32 1dxr s THR 193 CO 0.07 -0.41 0.10 0.00 -0.54 0.00 0.00 174.62 173.84 1dxr s ALA 194 N -2.64 -0.23 0.33 3.99 0.00 -0.54 -4.89 121.76 117.78 1dxr s ALA 194 Ca 0.49 0.18 -0.08 0.00 0.00 0.00 0.00 51.96 52.55 1dxr s ALA 194 Cb -0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 1dxr s ALA 194 CO 0.40 -0.07 0.65 -0.51 0.00 0.00 0.00 175.76 176.23 1dxr s LEU 195 N -0.19 3.97 -0.05 0.00 1.43 -1.26 -1.18 118.68 121.41 1dxr s LEU 195 Ca -0.03 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1dxr s LEU 195 Cb -0.02 -3.78 0.04 0.00 0.03 0.00 0.00 46.19 42.46 1dxr s LEU 195 CO 0.00 -0.27 0.10 -0.51 0.23 0.00 0.00 176.35 175.90 1dxr s ILE 196 N -2.18 -0.07 0.45 -0.59 2.07 0.60 -4.96 121.20 116.53 1dxr s ILE 196 Ca 0.48 0.21 -0.24 0.00 -1.41 0.00 0.00 60.65 59.69 1dxr s ILE 196 Cb -0.11 -0.18 -0.08 0.00 0.13 0.00 0.00 42.46 42.23 1dxr s ILE 196 CO 0.29 0.09 1.31 -2.84 -1.91 0.00 0.00 174.94 171.88 1dxr s PRO 197 N 1.23 3.70 0.58 3.50 0.02 -1.26 -0.39 135.00 142.37 1dxr s PRO 197 Ca -0.08 2.16 0.33 0.00 0.02 0.00 0.00 61.00 63.43 1dxr s PRO 197 Cb -0.12 -2.57 1.76 0.00 0.02 0.00 0.00 34.50 33.59 1dxr s PRO 197 CO -0.05 -0.71 2.17 -0.07 -0.33 0.00 0.00 177.00 178.02 1dxr h LEU 198 N 2.25 0.00 -1.24 -5.54 3.38 -1.27 -1.29 115.31 111.60 1dxr h LEU 198 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1dxr h LEU 198 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1dxr h LEU 198 CO 0.61 0.05 0.00 1.23 0.09 0.00 0.00 178.44 180.42 1dxr h GLY 199 N 0.62 0.00 -2.29 0.83 0.00 -1.90 -0.71 103.07 99.61 1dxr h GLY 199 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dxr h GLY 199 CO 0.01 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.24 1dxr n PHE 200 N -2.56 0.72 -4.30 5.60 3.72 -0.49 -4.92 117.46 115.24 1dxr n PHE 200 Ca 0.01 -0.36 -0.34 0.00 -0.05 0.00 0.00 57.45 56.71 1dxr n PHE 200 Cb 0.21 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.61 1dxr n PHE 200 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dxr s ASP 202 N 0.87 6.23 -0.53 0.00 2.15 0.40 -4.95 116.67 120.83 1dxr s ASP 202 Ca -0.02 -0.88 -0.23 0.00 0.43 0.00 0.00 52.55 51.86 1dxr s ASP 202 Cb -0.15 -2.28 0.04 0.00 -0.30 0.00 0.00 42.92 40.23 1dxr s ASP 202 CO 0.01 -0.86 0.86 -0.69 -0.17 0.00 0.00 175.17 174.31 1dxr s VAL 203 N 2.58 4.52 0.40 1.11 1.01 -1.26 -0.83 120.40 127.93 1dxr s VAL 203 Ca 0.15 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.32 1dxr s VAL 203 Cb -0.19 -4.46 -0.01 0.00 0.00 0.00 0.00 36.38 31.72 1dxr s VAL 203 CO 0.12 -1.01 0.45 -0.54 0.00 0.00 0.00 175.10 174.13 1dxr s LYS 204 N 3.59 2.73 0.55 2.72 1.02 0.31 -5.01 119.74 125.65 1dxr s LYS 204 Ca 0.27 -1.34 0.23 0.00 0.02 0.00 0.00 55.97 55.15 1dxr s LYS 204 Cb -0.14 -2.58 1.51 0.00 -0.52 0.00 0.00 37.83 36.10 1dxr s LYS 204 CO 0.18 -0.16 2.15 0.87 -0.92 0.00 0.00 175.35 177.46 1dxr h LYS 205 N 0.89 0.00 0.00 1.68 1.57 -2.00 -3.26 116.57 115.45 1dxr h LYS 205 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1dxr h LYS 205 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1dxr h LYS 205 CO 0.52 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.00 1dxr n ASP 206 N -4.20 0.51 -3.56 0.86 5.75 -1.26 -5.01 116.55 109.64 1dxr n ASP 206 Ca -0.00 -0.97 -0.06 0.00 -0.01 0.00 0.00 54.79 53.75 1dxr n ASP 206 Cb 0.20 0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.30 1dxr n ASP 206 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1dxr s LYS 207 N -0.02 0.71 -0.26 0.11 -2.85 -1.23 -4.51 119.74 111.68 1dxr s LYS 207 Ca 0.00 -0.29 -0.05 0.00 -1.00 0.00 0.00 55.97 54.63 1dxr s LYS 207 Cb 0.00 0.31 0.01 0.00 -2.06 0.00 0.00 37.83 36.08 1dxr s LYS 207 CO 0.00 -0.31 0.01 0.42 0.10 0.00 0.00 175.35 175.56 1dxr s ILE 208 N -2.92 3.54 -0.10 3.79 -1.09 -0.37 -0.53 121.20 123.53 1dxr s ILE 208 Ca 0.08 -0.70 -0.11 0.00 -2.23 0.00 0.00 60.65 57.69 1dxr s ILE 208 Cb -0.01 -2.75 -0.05 0.00 -1.58 0.00 0.00 42.46 38.07 1dxr s ILE 208 CO -0.06 0.22 0.25 -0.69 -1.23 0.00 0.00 174.94 173.43 1dxr s VAL 209 N 1.45 5.31 -0.26 2.92 1.01 -0.01 -0.27 120.40 130.56 1dxr s VAL 209 Ca 0.03 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 1dxr s VAL 209 Cb -0.16 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 32.75 1dxr s VAL 209 CO -0.01 0.55 0.07 -0.69 0.00 0.00 0.00 175.10 175.02 1dxr s VAL 210 N -0.65 0.66 -1.97 2.92 1.01 -0.14 -0.46 120.40 121.78 1dxr s VAL 210 Ca 0.17 -0.97 0.26 0.00 0.00 0.00 0.00 61.98 61.44 1dxr s VAL 210 Cb -0.14 -1.34 0.24 0.00 0.00 0.00 0.00 36.38 35.14 1dxr s VAL 210 CO 0.06 -0.46 1.47 0.35 0.00 0.00 0.00 175.10 176.52 1dxr n THR 211 N 4.96 0.00 0.04 3.92 -2.24 -1.26 -1.96 114.28 117.74 1dxr n THR 211 Ca -0.06 -0.19 -0.07 0.00 -2.27 0.00 0.00 64.05 61.46 1dxr n THR 211 Cb 0.44 0.66 0.10 0.00 -2.10 0.00 0.00 70.33 69.43 1dxr n THR 211 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1dxr h SER 212 N 1.79 0.46 -4.52 3.42 4.64 -1.88 -3.42 113.55 114.04 1dxr h SER 212 Ca 0.00 -0.24 -0.26 0.00 -0.47 0.00 0.00 61.79 60.82 1dxr h SER 212 Cb 0.58 -0.13 -0.16 0.00 -0.31 0.00 0.00 62.40 62.38 1dxr h SER 212 CO 0.00 0.91 -0.71 0.27 -0.87 0.00 0.00 176.83 176.43 1dxr s ILE 213 N -3.96 0.77 0.57 0.95 -4.36 -1.26 -3.68 121.20 110.22 1dxr s ILE 213 Ca -0.06 -1.76 -0.14 0.00 -0.26 0.00 0.00 60.65 58.43 1dxr s ILE 213 Cb 0.12 -1.47 -0.05 0.00 1.25 0.00 0.00 42.46 42.30 1dxr s ILE 213 CO 0.82 -0.72 1.01 -0.76 0.24 0.00 0.00 174.94 175.53 1dxr s LEU 214 N -2.71 3.45 0.26 0.37 1.43 -1.26 -0.51 118.68 119.70 1dxr s LEU 214 Ca 0.08 1.56 -0.02 0.00 -1.03 0.00 0.00 54.13 54.71 1dxr s LEU 214 Cb 0.01 -4.50 0.52 0.00 0.03 0.00 0.00 46.19 42.25 1dxr s LEU 214 CO -0.02 -0.82 1.73 0.77 0.23 0.00 0.00 176.35 178.24 1dxr h SER 215 N 0.34 0.35 -0.65 2.29 4.64 -1.88 0.10 113.55 118.75 1dxr h SER 215 Ca -0.46 0.11 0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1dxr h SER 215 Cb 1.19 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 1dxr h SER 215 CO 0.61 0.12 0.46 -0.33 -0.87 0.00 0.00 176.83 176.81 1dxr h GLU 216 N 0.49 0.09 -0.00 4.77 5.08 -1.95 -2.61 114.58 120.44 1dxr h GLU 216 Ca 0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1dxr h GLU 216 Cb 0.70 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1dxr h GLU 216 CO -0.41 0.06 -0.20 1.04 -1.00 0.00 0.00 179.01 178.50 1dxr n GLN 217 N -4.38 0.25 0.26 2.33 6.02 0.35 -3.22 117.38 118.99 1dxr n GLN 217 Ca 0.12 -0.09 0.13 0.00 -0.01 0.00 0.00 57.00 57.15 1dxr n GLN 217 Cb 0.66 -1.50 0.69 0.00 1.02 0.00 0.00 30.24 31.10 1dxr n GLN 217 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1dxr h PHE 218 N 0.22 0.00 -0.47 1.08 -1.00 -1.54 -2.69 116.94 112.55 1dxr h PHE 218 Ca 0.00 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.87 1dxr h PHE 218 Cb 0.45 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1dxr h PHE 218 CO 0.00 0.13 0.32 0.00 -1.61 0.00 0.00 178.31 177.15 1dxr h ALA 219 N 1.87 2.14 -0.35 2.45 0.00 -1.75 -3.02 119.26 120.60 1dxr h ALA 219 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dxr h ALA 219 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1dxr h ALA 219 CO 0.02 -0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.10 1dxr n ASN 220 N -4.46 2.98 -4.63 0.00 4.13 -1.01 -4.98 115.26 107.29 1dxr n ASN 220 Ca 0.07 -1.91 -0.45 0.00 1.68 0.00 0.00 54.58 53.97 1dxr n ASN 220 Cb 0.38 -0.23 -0.02 0.00 -1.54 0.00 0.00 39.78 38.36 1dxr n ASN 220 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1dxr n VAL 221 N 0.80 1.58 -1.59 2.41 0.31 -1.14 -4.84 118.33 115.86 1dxr n VAL 221 Ca 0.13 -0.40 -0.43 0.00 -0.01 0.00 0.00 64.34 63.64 1dxr n VAL 221 Cb 0.45 -1.19 -0.01 0.00 -0.91 0.00 0.00 33.84 32.18 1dxr n VAL 221 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1dxr n PRO 222 N 1.14 1.33 -3.79 5.55 -0.02 -1.26 -4.99 135.00 132.97 1dxr n PRO 222 Ca 0.10 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 1dxr n PRO 222 Cb 0.31 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 1dxr n PRO 222 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1dxr s ARG 223 N -1.71 3.56 0.55 -0.52 0.52 -1.26 -4.79 118.95 115.29 1dxr s ARG 223 Ca 0.60 -0.05 -0.14 0.00 -0.52 0.00 0.00 55.73 55.63 1dxr s ARG 223 Cb -0.64 -3.15 -0.06 0.00 0.52 0.00 0.00 34.95 31.61 1dxr s ARG 223 CO 0.59 0.72 0.98 -0.51 0.02 0.00 0.00 175.30 177.10 1dxr s LEU 224 N -1.35 3.49 0.10 2.53 1.43 -1.26 -4.99 118.68 118.63 1dxr s LEU 224 Ca 0.21 1.47 -0.07 0.00 -1.03 0.00 0.00 54.13 54.71 1dxr s LEU 224 Cb -0.13 -4.44 -0.18 0.00 0.03 0.00 0.00 46.19 41.46 1dxr s LEU 224 CO 0.11 -0.68 1.22 -0.61 0.23 0.00 0.00 176.35 176.62 1dxr h GLN 225 N 0.46 0.46 -6.04 1.70 5.75 -1.99 -3.45 115.11 111.99 1dxr h GLN 225 Ca -0.46 -0.56 -0.53 0.00 -0.15 0.00 0.00 58.65 56.95 1dxr h GLN 225 Cb 1.19 0.18 -0.06 0.00 1.07 0.00 0.00 27.48 29.86 1dxr h GLN 225 CO 0.62 1.21 -0.43 -1.12 -2.65 0.00 0.00 178.83 176.45 1dxr s SER 226 N -7.19 4.75 0.01 -0.69 0.01 -1.26 -5.06 113.70 104.27 1dxr s SER 226 Ca -0.07 -0.90 0.20 0.00 1.31 0.00 0.00 55.95 56.49 1dxr s SER 226 Cb 0.08 -0.53 -0.21 0.00 0.21 0.00 0.00 66.02 65.57 1dxr s SER 226 CO 0.89 -0.60 0.60 0.54 0.41 0.00 0.00 173.24 175.08 1dxr n ARG 227 N -1.40 0.65 -0.04 12.44 1.74 -1.26 -4.45 116.66 124.33 1dxr n ARG 227 Ca 0.01 -0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.13 1dxr n ARG 227 Cb 0.63 -1.65 0.05 0.00 -1.02 0.00 0.00 32.46 30.47 1dxr n ARG 227 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1dxr n ASP 228 N -2.58 1.93 -4.07 0.55 8.00 -1.26 -4.92 116.55 114.19 1dxr n ASP 228 Ca -0.10 -2.32 -0.08 0.00 0.71 0.00 0.00 54.79 53.00 1dxr n ASP 228 Cb 0.74 -0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.59 1dxr n ASP 228 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1dxr s GLN 229 N -1.56 0.80 -0.13 -1.24 -0.21 -1.26 -4.52 119.66 111.55 1dxr s GLN 229 Ca 0.11 -1.27 -0.09 0.00 0.02 0.00 0.00 55.36 54.13 1dxr s GLN 229 Cb 0.10 0.25 0.04 0.00 1.00 0.00 0.00 33.01 34.40 1dxr s GLN 229 CO 0.01 -0.21 0.32 -1.50 -2.12 0.00 0.00 175.29 171.79 1dxr s ILE 230 N -3.97 -0.02 0.54 1.08 2.07 -1.26 -4.42 121.20 115.22 1dxr s ILE 230 Ca 0.14 0.07 -0.07 0.00 -1.41 0.00 0.00 60.65 59.38 1dxr s ILE 230 Cb 0.07 -0.47 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 1dxr s ILE 230 CO -0.05 0.03 0.87 0.42 -1.91 0.00 0.00 174.94 174.30 1dxr s THR 231 N 0.82 4.50 0.29 4.00 -4.23 -1.26 -4.21 115.64 115.54 1dxr s THR 231 Ca -0.05 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.74 1dxr s THR 231 Cb -0.06 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.32 1dxr s THR 231 CO -0.06 -0.79 1.86 -0.07 -0.54 0.00 0.00 174.62 175.02 1dxr h LEU 232 N -0.00 0.93 -0.67 4.79 3.38 -0.17 -0.91 115.31 122.65 1dxr h LEU 232 Ca -0.46 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.40 1dxr h LEU 232 Cb 1.22 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1dxr h LEU 232 CO 0.61 0.52 -0.58 -0.09 0.09 0.00 0.00 178.44 178.99 1dxr h ARG 233 N 1.01 0.26 -0.68 1.13 2.43 -1.61 -2.76 114.38 114.15 1dxr h ARG 233 Ca 0.47 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 1dxr h ARG 233 Cb 0.42 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1dxr h ARG 233 CO -0.23 0.77 0.27 0.93 -1.51 0.00 0.00 179.97 180.20 1dxr h GLU 234 N 0.19 1.02 -0.78 0.20 5.08 -1.62 -0.57 114.58 118.10 1dxr h GLU 234 Ca -0.00 -0.19 0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1dxr h GLU 234 Cb 1.08 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1dxr h GLU 234 CO 0.09 0.85 0.51 0.93 -1.00 0.00 0.00 179.01 180.39 1dxr h GLU 235 N 0.97 0.72 -0.26 2.33 5.08 -1.03 0.18 114.58 122.56 1dxr h GLU 235 Ca 0.23 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.36 1dxr h GLU 235 Cb 0.21 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1dxr h GLU 235 CO -0.02 0.47 -0.57 -0.44 -1.00 0.00 0.00 179.01 177.46 1dxr h ASP 236 N 0.74 0.90 -0.32 1.42 5.19 -1.08 -2.13 116.42 121.13 1dxr h ASP 236 Ca 0.35 -0.49 -0.04 0.00 -0.62 0.00 0.00 57.03 56.23 1dxr h ASP 236 Cb 0.40 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1dxr h ASP 236 CO -0.13 1.27 0.04 0.11 -3.12 0.00 0.00 179.24 177.41 1dxr h LYS 237 N 0.61 0.54 -0.20 3.56 1.57 0.16 -0.72 116.57 122.08 1dxr h LYS 237 Ca 0.01 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1dxr h LYS 237 Cb 1.17 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1dxr h LYS 237 CO 0.12 0.64 0.00 0.28 -0.57 0.00 0.00 179.45 179.93 1dxr h VAL 238 N 0.36 1.25 -0.22 0.50 2.07 -1.02 -2.13 116.25 117.06 1dxr h VAL 238 Ca 0.10 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1dxr h VAL 238 Cb 0.37 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1dxr h VAL 238 CO 0.01 0.26 0.06 0.28 0.02 0.00 0.00 177.57 178.20 1dxr h SER 239 N 0.11 0.33 -0.44 0.57 0.02 -1.36 -2.80 113.55 109.98 1dxr h SER 239 Ca 0.06 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1dxr h SER 239 Cb 0.39 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1dxr h SER 239 CO 0.01 0.47 0.28 0.00 -1.14 0.00 0.00 176.83 176.45 1dxr h ALA 240 N 0.87 1.66 -0.32 3.77 0.00 -1.14 -2.75 119.26 121.36 1dxr h ALA 240 Ca 0.07 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1dxr h ALA 240 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1dxr h ALA 240 CO 0.00 0.31 0.11 -0.92 0.00 0.00 0.00 179.25 178.75 1dxr h TYR 241 N 0.60 0.20 -0.37 0.00 3.20 -1.10 -0.04 116.97 119.47 1dxr h TYR 241 Ca 0.16 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.89 1dxr h TYR 241 Cb -0.05 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1dxr h TYR 241 CO 0.00 0.09 -0.40 1.88 -1.64 0.00 0.00 178.16 178.09 1dxr h TYR 242 N 0.25 1.12 -0.87 -3.82 0.05 -1.56 -2.77 116.97 109.37 1dxr h TYR 242 Ca 0.14 -0.34 0.07 0.00 0.05 0.00 0.00 58.73 58.65 1dxr h TYR 242 Cb 0.11 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 37.56 1dxr h TYR 242 CO -0.14 1.17 0.57 0.00 -1.05 0.00 0.00 178.16 178.71 1dxr h ALA 243 N 0.76 1.57 -0.25 3.88 0.00 -1.24 -0.61 119.26 123.37 1dxr h ALA 243 Ca 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1dxr h ALA 243 Cb 1.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1dxr h ALA 243 CO 0.10 0.28 -0.00 0.78 0.00 0.00 0.00 179.25 180.41 1dxr h GLY 244 N 0.95 0.40 1.50 0.00 0.00 -0.73 -2.22 103.07 102.96 1dxr h GLY 244 Ca 0.38 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.54 1dxr h GLY 244 CO -0.15 0.20 0.24 -1.33 0.00 0.00 0.00 176.54 175.51 1dxr h GLY 245 N 0.68 0.38 1.74 4.60 0.00 -0.88 -0.09 103.07 109.49 1dxr h GLY 245 Ca 0.08 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.32 1dxr h GLY 245 CO 0.01 0.11 0.10 1.41 0.00 0.00 0.00 176.54 178.17 1dxr h LEU 246 N 0.32 0.04 0.00 3.11 3.38 -1.33 0.95 115.31 121.79 1dxr h LEU 246 Ca 0.15 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.89 1dxr h LEU 246 Cb 0.20 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1dxr h LEU 246 CO -0.03 0.03 -2.17 -0.11 0.09 0.00 0.00 178.44 176.25 1dxr n LEU 247 N -4.50 0.00 0.00 1.67 7.94 -0.95 -4.78 117.00 116.37 1dxr n LEU 247 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1dxr n LEU 247 Cb 0.20 0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1dxr n LEU 247 CO 0.35 0.31 0.12 -1.22 -1.11 0.00 0.00 177.39 175.84 1dxr n TYR 248 N -2.53 0.00 -0.22 1.96 4.01 -0.09 -2.24 117.16 118.04 1dxr n TYR 248 Ca -0.22 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.55 1dxr n TYR 248 Cb 0.92 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 40.22 1dxr n TYR 248 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dxr h ALA 249 N 0.00 1.53 -2.24 -0.72 0.00 -1.00 -3.42 119.26 113.41 1dxr h ALA 249 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 1dxr h ALA 249 Cb 0.02 -0.27 -0.15 0.00 0.00 0.00 0.00 17.79 17.39 1dxr h ALA 249 CO 0.00 0.40 -0.72 0.95 0.00 0.00 0.00 179.25 179.89 1dxr s THR 250 N -5.82 1.25 0.37 0.00 -4.23 -1.26 -4.86 115.64 101.10 1dxr s THR 250 Ca -0.11 -2.08 0.09 0.00 -1.18 0.00 0.00 61.69 58.42 1dxr s THR 250 Cb 0.18 -1.87 0.32 0.00 1.34 0.00 0.00 72.50 72.48 1dxr s THR 250 CO 0.78 -0.72 1.92 -0.65 -0.54 0.00 0.00 174.62 175.41 1dxr h PRO 251 N 2.77 0.63 0.00 3.99 0.11 -1.92 -0.95 132.00 136.63 1dxr h PRO 251 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1dxr h PRO 251 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1dxr h PRO 251 CO 0.63 0.42 0.00 -0.85 -0.21 0.00 0.00 178.00 177.99 1dxr n GLU 252 N -4.51 0.11 0.19 1.05 0.28 -1.26 -3.65 120.64 112.84 1dxr n GLU 252 Ca 0.14 0.10 0.03 0.00 -0.16 0.00 0.00 57.16 57.27 1dxr n GLU 252 Cb 0.39 -1.63 0.37 0.00 1.43 0.00 0.00 31.44 32.00 1dxr n GLU 252 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1dxr h ARG 253 N 0.00 0.00 0.00 3.44 3.08 -1.37 -2.62 114.38 116.91 1dxr h ARG 253 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dxr h ARG 253 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1dxr h ARG 253 CO 0.00 0.36 0.00 0.00 -1.07 0.00 0.00 179.97 179.26 1dxr h ALA 254 N 1.64 1.00 -2.16 0.04 0.00 -1.52 -3.45 119.26 114.82 1dxr h ALA 254 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1dxr h ALA 254 Cb 0.63 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.51 1dxr h ALA 254 CO 0.05 0.00 0.22 -1.21 0.00 0.00 0.00 179.25 178.31 1dxr s GLU 255 N -3.17 2.01 0.21 0.00 0.41 -0.99 -4.98 118.70 112.20 1dxr s GLU 255 Ca 0.09 -0.38 -0.32 0.00 -0.41 0.00 0.00 54.97 53.95 1dxr s GLU 255 Cb 0.09 -2.17 -0.14 0.00 -1.78 0.00 0.00 34.13 30.13 1dxr s GLU 255 CO 0.62 -1.35 1.30 0.43 -0.49 0.00 0.00 175.26 175.78 1dxr n SER 256 N -2.97 2.16 0.30 -0.19 7.64 -1.26 -4.91 113.62 114.39 1dxr n SER 256 Ca 0.09 1.14 -0.17 0.00 1.01 0.00 0.00 58.87 60.95 1dxr n SER 256 Cb 0.60 -1.34 -0.08 0.00 -1.01 0.00 0.00 64.21 62.38 1dxr n SER 256 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1dxr h LEU 257 N 3.86 -0.80 -1.86 -3.43 3.38 -1.92 -3.51 115.31 111.03 1dxr h LEU 257 Ca -0.44 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1dxr h LEU 257 Cb 1.30 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1dxr h LEU 257 CO 0.73 -0.51 0.00 0.18 0.09 0.00 0.00 178.44 178.94