#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqa n HIS 2 N 0.00 3.45 -3.75 2.03 -0.00 -1.26 -4.92 115.22 110.78 1rqa n HIS 2 Ca 0.00 -2.67 -0.37 0.00 -0.00 0.00 0.00 57.72 54.68 1rqa n HIS 2 Cb 0.00 -2.44 -0.12 0.00 -0.00 0.00 0.00 29.99 27.43 1rqa n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1rqa s LEU 3 N 2.96 3.63 0.85 0.27 1.02 -1.26 -5.09 118.68 121.05 1rqa s LEU 3 Ca 0.51 -0.40 -0.11 0.00 0.02 0.00 0.00 54.13 54.15 1rqa s LEU 3 Cb 0.11 -1.92 0.10 0.00 0.02 0.00 0.00 46.19 44.50 1rqa s LEU 3 CO -0.01 -0.10 1.09 0.42 0.02 0.00 0.00 176.35 177.78 1rqa s THR 4 N 1.58 2.88 0.49 5.49 -4.23 -1.26 -4.80 115.64 115.80 1rqa s THR 4 Ca 0.05 0.29 0.19 0.00 -1.18 0.00 0.00 61.69 61.03 1rqa s THR 4 Cb -0.16 -2.87 0.25 0.00 1.34 0.00 0.00 72.50 71.06 1rqa s THR 4 CO 0.03 -0.37 2.10 -0.65 -0.54 0.00 0.00 174.62 175.19 1rqa h PRO 5 N -1.33 0.00 -0.38 3.99 0.11 -1.99 -2.07 132.00 130.33 1rqa h PRO 5 Ca -0.48 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1rqa h PRO 5 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1rqa h PRO 5 CO 0.56 0.08 -0.29 0.93 -0.21 0.00 0.00 178.00 179.07 1rqa h GLU 6 N 0.00 0.87 -0.13 1.05 4.39 -1.99 -1.59 114.58 117.18 1rqa h GLU 6 Ca -0.00 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 1rqa h GLU 6 Cb 0.15 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1rqa h GLU 6 CO 0.01 1.07 0.04 0.93 -1.16 0.00 0.00 179.01 179.90 1rqa h GLU 7 N 0.68 0.21 -0.41 2.33 5.08 -1.83 -0.55 114.58 120.09 1rqa h GLU 7 Ca 0.07 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1rqa h GLU 7 Cb 0.87 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.02 1rqa h GLU 7 CO 0.08 0.36 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.16 1rqa h LYS 8 N 0.02 0.04 -0.08 2.33 3.64 -1.40 0.49 116.57 121.61 1rqa h LYS 8 Ca 0.04 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 1rqa h LYS 8 Cb 0.24 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1rqa h LYS 8 CO -0.00 0.02 -0.30 1.03 -2.27 0.00 0.00 179.45 177.94 1rqa h SER 9 N 0.04 0.15 -0.08 4.20 0.87 -1.13 -0.09 113.55 117.51 1rqa h SER 9 Ca 0.20 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1rqa h SER 9 Cb 0.30 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1rqa h SER 9 CO -0.39 0.45 -0.13 0.00 -0.53 0.00 0.00 176.83 176.23 1rqa h ALA 10 N 1.56 0.12 0.37 6.23 0.00 0.06 -0.89 119.26 126.71 1rqa h ALA 10 Ca 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1rqa h ALA 10 Cb 0.60 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1rqa h ALA 10 CO 0.04 0.00 -0.49 0.28 0.00 0.00 0.00 179.25 179.09 1rqa h VAL 11 N -0.24 0.00 -0.90 0.00 2.07 0.20 -2.51 116.25 114.88 1rqa h VAL 11 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 1rqa h VAL 11 Cb 0.70 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.39 1rqa h VAL 11 CO 0.03 0.00 0.53 0.74 0.02 0.00 0.00 177.57 178.89 1rqa h THR 12 N -0.89 0.88 0.21 2.57 2.02 -1.07 -1.92 112.91 114.71 1rqa h THR 12 Ca -0.04 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1rqa h THR 12 Cb 0.80 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1rqa h THR 12 CO -0.12 0.15 -0.10 0.00 0.37 0.00 0.00 175.52 175.82 1rqa h ALA 13 N 1.51 -0.28 -0.73 6.16 0.00 -1.05 -2.57 119.26 122.29 1rqa h ALA 13 Ca 0.45 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1rqa h ALA 13 Cb 0.47 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1rqa h ALA 13 CO -0.28 -0.62 0.48 1.25 0.00 0.00 0.00 179.25 180.09 1rqa h LEU 14 N -0.36 0.82 -1.36 0.00 5.85 -1.26 -2.86 115.31 116.14 1rqa h LEU 14 Ca -0.03 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1rqa h LEU 14 Cb 0.28 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1rqa h LEU 14 CO 0.05 0.59 -0.17 -0.25 -0.34 0.00 0.00 178.44 178.32 1rqa h TRP 15 N 0.97 0.00 0.00 1.25 2.91 -0.97 -1.28 115.95 118.83 1rqa h TRP 15 Ca 0.27 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.29 1rqa h TRP 15 Cb -0.09 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.56 1rqa h TRP 15 CO -0.00 0.17 -0.02 0.78 -1.03 0.00 0.00 178.44 178.33 1rqa h GLY 16 N 1.79 0.00 -0.14 2.65 0.00 -1.23 -2.68 103.07 103.46 1rqa h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rqa h GLY 16 CO 0.02 0.00 -0.15 0.28 0.00 0.00 0.00 176.54 176.69 1rqa n LYS 17 N -3.14 1.23 -3.20 4.80 5.02 -0.48 -4.92 118.16 117.47 1rqa n LYS 17 Ca -0.00 -0.74 -0.39 0.00 -2.02 0.00 0.00 58.31 55.16 1rqa n LYS 17 Cb 0.27 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 1rqa n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rqa s VAL 18 N -2.28 4.83 -0.72 -0.18 1.01 -1.01 -5.02 120.40 117.03 1rqa s VAL 18 Ca 0.30 1.28 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 1rqa s VAL 18 Cb 0.20 -3.94 0.11 0.00 0.00 0.00 0.00 36.38 32.75 1rqa s VAL 18 CO 0.44 0.46 0.88 0.21 0.00 0.00 0.00 175.10 177.08 1rqa s ASN 19 N -0.47 6.35 0.27 3.32 2.47 -1.26 -4.93 114.94 120.69 1rqa s ASN 19 Ca 0.31 -1.61 -0.04 0.00 0.42 0.00 0.00 52.86 51.94 1rqa s ASN 19 Cb -0.19 -2.34 0.34 0.00 -1.45 0.00 0.00 41.25 37.61 1rqa s ASN 19 CO 0.18 -1.13 1.94 -0.37 -3.72 0.00 0.00 177.10 174.01 1rqa h VAL 20 N 5.80 1.24 -0.36 -5.21 -1.51 -1.95 -0.94 116.25 113.32 1rqa h VAL 20 Ca -0.14 -0.45 0.08 0.00 -1.23 0.00 0.00 66.70 64.96 1rqa h VAL 20 Cb 1.06 -0.10 -0.07 0.00 -2.13 0.00 0.00 31.29 30.05 1rqa h VAL 20 CO 1.09 0.23 -0.12 0.44 -1.23 0.00 0.00 177.57 177.98 1rqa h ASP 21 N 1.24 -0.43 0.09 4.19 5.19 -1.92 -1.04 116.42 123.74 1rqa h ASP 21 Ca 0.33 0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1rqa h ASP 21 Cb -0.13 0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1rqa h ASP 21 CO -0.07 -0.16 -0.04 -0.08 -3.12 0.00 0.00 179.24 175.77 1rqa h GLU 22 N -0.04 -0.12 -0.18 3.56 4.81 -1.75 -3.08 114.58 117.78 1rqa h GLU 22 Ca 0.18 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1rqa h GLU 22 Cb 0.32 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1rqa h GLU 22 CO -0.40 0.34 0.04 0.28 -0.73 0.00 0.00 179.01 178.54 1rqa h VAL 23 N -0.65 1.10 -0.08 0.32 2.07 -1.11 -2.03 116.25 115.87 1rqa h VAL 23 Ca -0.01 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1rqa h VAL 23 Cb 0.52 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1rqa h VAL 23 CO 0.02 0.12 -0.03 1.23 0.02 0.00 0.00 177.57 178.93 1rqa h GLY 24 N 0.44 0.17 1.02 2.17 0.00 -1.22 -0.31 103.07 105.33 1rqa h GLY 24 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1rqa h GLY 24 CO -0.00 0.13 0.59 -1.33 0.00 0.00 0.00 176.54 175.93 1rqa h GLY 25 N -0.21 1.39 1.13 4.60 0.00 -1.37 -1.29 103.07 107.33 1rqa h GLY 25 Ca 0.02 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 1rqa h GLY 25 CO 0.01 0.55 -0.16 0.83 0.00 0.00 0.00 176.54 177.77 1rqa h GLU 26 N 1.32 1.00 -0.00 4.80 4.39 -1.17 -0.85 114.58 124.07 1rqa h GLU 26 Ca 0.35 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1rqa h GLU 26 Cb -0.08 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1rqa h GLU 26 CO -0.07 1.07 -0.00 0.00 -1.16 0.00 0.00 179.01 178.86 1rqa h ALA 27 N 0.93 0.00 -0.48 3.43 0.00 -0.79 -0.65 119.26 121.71 1rqa h ALA 27 Ca 0.13 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1rqa h ALA 27 Cb 0.73 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1rqa h ALA 27 CO 0.06 -0.28 -0.15 1.25 0.00 0.00 0.00 179.25 180.13 1rqa h LEU 28 N -0.43 0.91 -0.31 0.00 5.85 -1.26 -2.02 115.31 118.05 1rqa h LEU 28 Ca 0.00 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.47 1rqa h LEU 28 Cb 0.44 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1rqa h LEU 28 CO 0.00 1.06 -0.06 1.23 -0.34 0.00 0.00 178.44 180.32 1rqa h GLY 29 N 0.95 0.25 1.77 3.75 0.00 -1.13 -2.51 103.07 106.15 1rqa h GLY 29 Ca 0.12 0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.45 1rqa h GLY 29 CO 0.05 -0.11 -0.30 3.21 0.00 0.00 0.00 176.54 179.39 1rqa h ARG 30 N 0.02 0.26 -0.23 4.80 3.08 -0.90 -2.19 114.38 119.22 1rqa h ARG 30 Ca 0.15 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1rqa h ARG 30 Cb 0.23 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1rqa h ARG 30 CO -0.31 0.55 0.07 1.25 -1.07 0.00 0.00 179.97 180.46 1rqa h LEU 31 N 0.23 0.07 -1.29 3.04 5.85 -1.02 0.51 115.31 122.71 1rqa h LEU 31 Ca 0.03 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1rqa h LEU 31 Cb 0.65 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1rqa h LEU 31 CO 0.05 0.07 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.85 1rqa h LEU 32 N 0.18 0.00 0.11 2.25 3.38 -1.04 0.44 115.31 120.62 1rqa h LEU 32 Ca 0.10 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 1rqa h LEU 32 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1rqa h LEU 32 CO -0.11 0.30 -1.41 0.58 0.09 0.00 0.00 178.44 177.89 1rqa h VAL 33 N 0.00 1.01 0.05 1.22 2.07 -1.07 -3.25 116.25 116.29 1rqa h VAL 33 Ca -0.00 -2.38 -0.25 0.00 0.82 0.00 0.00 66.70 64.88 1rqa h VAL 33 Cb 0.68 2.68 0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1rqa h VAL 33 CO 0.04 0.69 -1.07 0.58 0.02 0.00 0.00 177.57 177.83 1rqa h VAL 34 N -0.34 1.40 -2.63 2.57 2.07 0.08 -3.36 116.25 116.04 1rqa h VAL 34 Ca -0.31 -2.59 -0.61 0.00 0.82 0.00 0.00 66.70 64.01 1rqa h VAL 34 Cb 1.73 2.59 -0.42 0.00 -1.52 0.00 0.00 31.29 33.67 1rqa h VAL 34 CO 0.04 0.77 -0.57 -1.22 0.02 0.00 0.00 177.57 176.61 1rqa n TYR 35 N -3.71 3.48 0.14 1.57 4.01 0.14 -4.95 117.16 117.84 1rqa n TYR 35 Ca -0.08 -4.23 0.04 0.00 -0.16 0.00 0.00 57.90 53.46 1rqa n TYR 35 Cb 0.91 -0.60 0.17 0.00 -0.31 0.00 0.00 39.34 39.51 1rqa n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1rqa n PRO 36 N 1.39 0.03 0.23 -0.72 -0.05 -1.22 -1.47 135.00 133.19 1rqa n PRO 36 Ca 0.25 0.47 0.09 0.00 -0.05 0.00 0.00 63.50 64.27 1rqa n PRO 36 Cb 0.38 -1.59 0.57 0.00 -0.05 0.00 0.00 33.50 32.81 1rqa n PRO 36 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 175.50 176.50 1rqa h GLU 37 N 0.00 0.00 0.00 0.54 9.09 -1.91 -2.29 114.58 120.02 1rqa h GLU 37 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1rqa h GLU 37 Cb 0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.16 1rqa h GLU 37 CO 0.00 0.21 -0.03 1.79 0.05 0.00 0.00 179.01 181.03 1rqa h THR 38 N 0.00 0.11 0.00 -1.06 1.35 -1.58 -3.14 112.91 108.59 1rqa h THR 38 Ca -0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1rqa h THR 38 Cb 0.51 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1rqa h THR 38 CO 0.03 0.03 0.13 1.56 -0.25 0.00 0.00 175.52 177.02 1rqa h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.61 -1.81 115.11 120.61 1rqa h GLN 39 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rqa h GLN 39 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1rqa h GLN 39 CO 0.00 0.00 0.00 0.07 -0.67 0.00 0.00 178.83 178.23 1rqa h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.77 -1.81 114.38 112.37 1rqa h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1rqa h ARG 40 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1rqa h ARG 40 CO 0.00 0.00 -0.50 1.19 0.10 0.00 0.00 179.97 180.76 1rqa n PHE 41 N -2.54 0.27 -2.34 4.08 3.72 -0.68 -4.32 117.46 115.65 1rqa n PHE 41 Ca 0.01 0.08 -0.19 0.00 -0.05 0.00 0.00 57.45 57.29 1rqa n PHE 41 Cb 0.20 -0.47 0.02 0.00 -0.94 0.00 0.00 39.48 38.30 1rqa n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1rqa n PHE 42 N -1.79 2.50 0.33 1.38 3.72 -0.68 -4.84 117.46 118.09 1rqa n PHE 42 Ca 0.05 -2.49 0.08 0.00 -0.05 0.00 0.00 57.45 55.04 1rqa n PHE 42 Cb 0.38 -0.26 0.36 0.00 -0.94 0.00 0.00 39.48 39.03 1rqa n PHE 42 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1rqa n GLU 43 N -0.57 0.09 0.00 -1.08 0.28 -1.25 -1.91 120.64 116.20 1rqa n GLU 43 Ca 0.33 0.41 0.15 0.00 -0.16 0.00 0.00 57.16 57.88 1rqa n GLU 43 Cb 0.85 -1.69 0.72 0.00 1.43 0.00 0.00 31.44 32.75 1rqa n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1rqa n SER 44 N -1.86 0.00 0.09 -1.84 3.41 -1.26 -3.47 113.62 108.69 1rqa n SER 44 Ca 0.02 0.03 0.12 0.00 -0.26 0.00 0.00 58.87 58.78 1rqa n SER 44 Cb 0.14 -0.34 0.45 0.00 -0.26 0.00 0.00 64.21 64.20 1rqa n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1rqa n PHE 45 N -1.34 0.68 0.00 7.33 3.01 -0.80 -5.01 117.46 121.33 1rqa n PHE 45 Ca 0.12 0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.81 1rqa n PHE 45 Cb 0.27 -0.87 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 1rqa n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rqa n GLY 46 N 0.75 1.08 3.67 1.37 0.00 -1.23 -4.80 105.19 106.03 1rqa n GLY 46 Ca 0.04 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1rqa n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rqa s ASP 47 N -4.00 6.81 -0.10 1.61 2.15 -1.26 -4.89 116.67 116.98 1rqa s ASP 47 Ca 0.00 2.02 0.16 0.00 0.43 0.00 0.00 52.55 55.16 1rqa s ASP 47 Cb 0.00 -2.54 0.36 0.00 -0.30 0.00 0.00 42.92 40.44 1rqa s ASP 47 CO 0.00 -0.82 1.17 0.18 -0.17 0.00 0.00 175.17 175.53 1rqa n LEU 48 N 6.51 1.77 0.17 -1.34 4.77 -1.26 -4.49 117.00 123.13 1rqa n LEU 48 Ca 0.15 -2.82 0.06 0.00 -0.03 0.00 0.00 56.01 53.37 1rqa n LEU 48 Cb 0.44 -0.27 0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1rqa n LEU 48 CO 0.59 0.87 0.59 0.77 -1.33 0.00 0.00 177.39 178.88 1rqa h SER 49 N 0.75 0.00 -3.59 -1.43 4.64 -1.91 -3.44 113.55 108.57 1rqa h SER 49 Ca -0.08 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.85 1rqa h SER 49 Cb 1.35 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.30 1rqa h SER 49 CO 0.03 0.34 -0.71 0.42 -0.87 0.00 0.00 176.83 176.04 1rqa s THR 50 N -3.06 1.41 0.20 2.95 -4.23 -1.26 -5.04 115.64 106.61 1rqa s THR 50 Ca 0.05 -2.12 -0.13 0.00 -1.18 0.00 0.00 61.69 58.30 1rqa s THR 50 Cb 0.07 -2.01 0.17 0.00 1.34 0.00 0.00 72.50 72.06 1rqa s THR 50 CO 0.72 -0.62 1.66 -0.65 -0.54 0.00 0.00 174.62 175.19 1rqa h PRO 51 N 2.63 0.07 -0.43 3.99 0.11 -1.99 -1.80 132.00 134.58 1rqa h PRO 51 Ca -0.38 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 1rqa h PRO 51 Cb 1.21 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1rqa h PRO 51 CO 0.63 0.05 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.98 1rqa h ASP 52 N 0.07 0.70 -0.27 -2.05 3.32 -1.98 0.71 116.42 116.92 1rqa h ASP 52 Ca 0.28 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1rqa h ASP 52 Cb 0.43 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1rqa h ASP 52 CO -0.50 0.80 0.18 0.00 -1.72 0.00 0.00 179.24 178.00 1rqa h ALA 53 N 1.28 1.83 0.00 3.45 0.00 -1.71 -1.94 119.26 122.16 1rqa h ALA 53 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rqa h ALA 53 Cb 0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rqa h ALA 53 CO 0.02 0.15 -0.13 0.28 0.00 0.00 0.00 179.25 179.58 1rqa h VAL 54 N 0.35 1.33 -0.23 0.00 2.07 -0.44 -3.11 116.25 116.21 1rqa h VAL 54 Ca 0.10 -2.04 -0.08 0.00 0.82 0.00 0.00 66.70 65.50 1rqa h VAL 54 Cb -0.01 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1rqa h VAL 54 CO -0.02 0.45 -0.22 0.24 0.02 0.00 0.00 177.57 178.04 1rqa h MET 55 N -1.00 0.43 -0.01 1.57 2.07 -0.83 -2.67 114.93 114.48 1rqa h MET 55 Ca -0.03 -0.15 0.00 0.00 -2.07 0.00 0.00 59.70 57.45 1rqa h MET 55 Cb 0.82 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.52 1rqa h MET 55 CO -0.02 0.63 -0.16 0.41 1.07 0.00 0.00 176.91 178.83 1rqa n GLY 56 N -0.48 -0.12 3.66 8.32 0.00 -0.74 -4.85 105.19 110.98 1rqa n GLY 56 Ca -0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1rqa n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rqa s ASN 57 N -2.26 6.50 0.47 1.61 3.84 -1.01 -4.90 114.94 119.19 1rqa s ASN 57 Ca 0.29 2.57 0.13 0.00 0.21 0.00 0.00 52.86 56.05 1rqa s ASN 57 Cb 0.20 -2.53 1.09 0.00 -0.55 0.00 0.00 41.25 39.45 1rqa s ASN 57 CO 0.44 -1.02 2.08 -0.65 -2.79 0.00 0.00 177.10 175.16 1rqa h PRO 58 N 10.16 0.26 -0.01 0.43 0.11 -1.91 -1.21 132.00 139.82 1rqa h PRO 58 Ca -0.47 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 1rqa h PRO 58 Cb 1.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1rqa h PRO 58 CO 0.94 0.17 -0.78 0.87 -0.21 0.00 0.00 178.00 178.99 1rqa h LYS 59 N 0.26 0.15 -0.20 1.05 1.57 -1.90 -1.25 116.57 116.25 1rqa h LYS 59 Ca 0.11 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1rqa h LYS 59 Cb 0.11 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1rqa h LYS 59 CO -0.02 0.85 0.04 0.28 -0.57 0.00 0.00 179.45 180.03 1rqa h VAL 60 N 0.09 1.22 -0.60 0.50 2.07 -1.58 -1.35 116.25 116.60 1rqa h VAL 60 Ca -0.03 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 1rqa h VAL 60 Cb 1.36 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1rqa h VAL 60 CO 0.11 0.22 0.06 0.11 0.02 0.00 0.00 177.57 178.09 1rqa h LYS 61 N 0.12 1.03 -0.66 1.57 1.57 -1.21 -1.02 116.57 117.97 1rqa h LYS 61 Ca 0.06 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 1rqa h LYS 61 Cb 0.30 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1rqa h LYS 61 CO 0.00 0.98 0.18 0.00 -0.57 0.00 0.00 179.45 180.04 1rqa h ALA 62 N 1.00 1.08 -0.08 3.86 0.00 -1.21 -2.78 119.26 121.13 1rqa h ALA 62 Ca 0.18 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1rqa h ALA 62 Cb 0.48 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rqa h ALA 62 CO 0.02 0.62 -0.75 1.25 0.00 0.00 0.00 179.25 180.38 1rqa h HIS 63 N 0.98 0.64 -0.81 0.00 -0.00 -0.91 -2.62 115.15 112.44 1rqa h HIS 63 Ca 0.21 -0.29 0.02 0.00 -0.00 0.00 0.00 60.37 60.31 1rqa h HIS 63 Cb 0.32 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.59 1rqa h HIS 63 CO 0.02 1.06 0.53 0.78 -0.00 0.00 0.00 177.93 180.33 1rqa h GLY 64 N 1.15 1.14 1.44 5.26 0.00 -1.15 -0.55 103.07 110.37 1rqa h GLY 64 Ca -0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1rqa h GLY 64 CO 0.13 0.39 -0.14 1.70 0.00 0.00 0.00 176.54 178.62 1rqa h LYS 65 N 1.06 0.66 -0.25 4.80 3.64 -1.31 -1.76 116.57 123.41 1rqa h LYS 65 Ca 0.30 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1rqa h LYS 65 Cb -0.07 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1rqa h LYS 65 CO -0.07 0.78 0.09 -0.22 -2.27 0.00 0.00 179.45 177.75 1rqa h LYS 66 N 0.60 0.38 -0.49 1.90 3.64 -0.79 -1.75 116.57 120.06 1rqa h LYS 66 Ca 0.10 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1rqa h LYS 66 Cb 0.59 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1rqa h LYS 66 CO 0.04 0.44 0.26 0.28 -2.27 0.00 0.00 179.45 178.20 1rqa h VAL 67 N 0.24 1.18 0.00 2.00 2.07 -0.99 -2.35 116.25 118.40 1rqa h VAL 67 Ca 0.08 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 1rqa h VAL 67 Cb 0.21 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1rqa h VAL 67 CO -0.00 0.20 -0.52 -0.07 0.02 0.00 0.00 177.57 177.19 1rqa h LEU 68 N 0.65 0.00 -0.47 2.57 3.38 -1.25 -0.94 115.31 119.25 1rqa h LEU 68 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1rqa h LEU 68 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1rqa h LEU 68 CO -0.02 0.52 0.26 1.23 0.09 0.00 0.00 178.44 180.52 1rqa h GLY 69 N 1.57 0.70 1.35 0.83 0.00 -1.03 0.18 103.07 106.67 1rqa h GLY 69 Ca -0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1rqa h GLY 69 CO 0.07 0.30 0.03 0.00 0.00 0.00 0.00 176.54 176.95 1rqa h ALA 70 N 1.11 1.13 -0.57 3.60 0.00 -1.11 -1.34 119.26 122.07 1rqa h ALA 70 Ca 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rqa h ALA 70 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1rqa h ALA 70 CO -0.03 0.56 0.36 0.35 0.00 0.00 0.00 179.25 180.49 1rqa h PHE 71 N 0.75 0.75 -0.59 0.00 3.04 -0.67 -2.02 116.94 118.20 1rqa h PHE 71 Ca 0.15 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1rqa h PHE 71 Cb 0.41 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.64 1rqa h PHE 71 CO 0.02 0.50 0.37 0.77 -2.02 0.00 0.00 178.31 177.96 1rqa h SER 72 N 0.78 0.69 -0.18 0.41 0.02 0.05 -0.07 113.55 115.24 1rqa h SER 72 Ca 0.21 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1rqa h SER 72 Cb -0.04 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1rqa h SER 72 CO -0.04 0.52 -0.00 0.44 -1.14 0.00 0.00 176.83 176.60 1rqa h ASP 73 N 0.80 0.41 -0.26 3.07 3.32 -0.61 -2.25 116.42 120.91 1rqa h ASP 73 Ca 0.21 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1rqa h ASP 73 Cb -0.06 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1rqa h ASP 73 CO -0.04 0.48 -0.03 1.23 -1.72 0.00 0.00 179.24 179.15 1rqa h GLY 74 N 0.76 0.52 1.89 2.75 0.00 -0.35 -2.89 103.07 105.74 1rqa h GLY 74 Ca 0.10 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.03 1rqa h GLY 74 CO 0.01 0.37 0.05 1.41 0.00 0.00 0.00 176.54 178.38 1rqa h LEU 75 N 0.24 0.02 -0.12 3.11 3.38 -0.79 -0.38 115.31 120.77 1rqa h LEU 75 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rqa h LEU 75 Cb 0.48 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1rqa h LEU 75 CO 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 178.44 178.52 1rqa n ALA 76 N -2.55 2.63 -2.67 1.53 0.00 -0.99 -3.92 120.51 114.55 1rqa n ALA 76 Ca -0.02 -0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 1rqa n ALA 76 Cb 0.14 -1.43 0.02 0.00 0.00 0.00 0.00 19.45 18.18 1rqa n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rqa n HIS 77 N -1.04 1.35 0.32 0.00 8.25 -0.17 -4.92 115.22 119.02 1rqa n HIS 77 Ca 0.17 -2.89 0.19 0.00 -0.26 0.00 0.00 57.72 54.93 1rqa n HIS 77 Cb 0.23 -0.35 1.08 0.00 1.12 0.00 0.00 29.99 32.07 1rqa n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rqa h LEU 78 N 2.96 0.00 -2.09 2.41 3.38 -1.62 -0.73 115.31 119.61 1rqa h LEU 78 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1rqa h LEU 78 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1rqa h LEU 78 CO 0.54 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.54 1rqa n ASP 79 N -3.41 3.05 -2.77 -0.43 8.00 -1.26 -4.25 116.55 115.47 1rqa n ASP 79 Ca -0.03 -1.98 -0.10 0.00 0.71 0.00 0.00 54.79 53.40 1rqa n ASP 79 Cb 0.09 -0.35 0.07 0.00 -0.02 0.00 0.00 41.12 40.91 1rqa n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1rqa n ASN 80 N 1.18 -0.87 -0.36 -2.24 5.15 -0.29 -4.96 115.26 112.86 1rqa n ASN 80 Ca 0.19 -2.92 -0.00 0.00 -0.60 0.00 0.00 54.58 51.24 1rqa n ASN 80 Cb 0.49 0.67 0.15 0.00 -0.53 0.00 0.00 39.78 40.56 1rqa n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1rqa h LEU 81 N 2.63 1.09 -0.85 1.20 3.38 -1.72 -2.07 115.31 118.97 1rqa h LEU 81 Ca -0.14 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1rqa h LEU 81 Cb 1.17 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1rqa h LEU 81 CO 0.19 0.77 0.29 0.11 0.09 0.00 0.00 178.44 179.89 1rqa h LYS 82 N 1.27 1.13 -0.04 1.13 1.57 -1.92 -2.30 116.57 117.43 1rqa h LYS 82 Ca 0.38 -0.21 -0.23 0.00 -1.87 0.00 0.00 60.65 58.71 1rqa h LYS 82 Cb -0.06 -0.18 0.02 0.00 0.08 0.00 0.00 32.23 32.08 1rqa h LYS 82 CO -0.10 0.93 -0.89 0.78 -0.57 0.00 0.00 179.45 179.59 1rqa h GLY 83 N 1.13 0.74 0.60 3.86 0.00 -1.91 -2.55 103.07 104.94 1rqa h GLY 83 Ca 0.25 -1.23 0.08 0.00 0.00 0.00 0.00 47.33 46.43 1rqa h GLY 83 CO -0.02 1.09 0.49 -0.84 0.00 0.00 0.00 176.54 177.26 1rqa h THR 84 N 0.33 0.96 -0.58 4.70 2.02 -1.32 -2.79 112.91 116.23 1rqa h THR 84 Ca -0.10 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1rqa h THR 84 Cb 1.55 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1rqa h THR 84 CO 0.18 0.16 0.00 0.49 0.37 0.00 0.00 175.52 176.71 1rqa n PHE 85 N -4.70 0.77 -0.11 3.16 3.72 -0.87 -4.63 117.46 114.79 1rqa n PHE 85 Ca 0.13 -0.38 -0.06 0.00 -0.05 0.00 0.00 57.45 57.09 1rqa n PHE 85 Cb 0.24 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.80 1rqa n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rqa h ALA 86 N 4.36 0.44 -0.01 4.37 0.00 -1.16 -0.34 119.26 126.91 1rqa h ALA 86 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1rqa h ALA 86 Cb 0.94 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1rqa h ALA 86 CO 0.00 -0.24 -0.54 1.79 0.00 0.00 0.00 179.25 180.25 1rqa h THR 87 N 0.31 1.39 -0.12 0.00 1.35 -1.82 -2.37 112.91 111.66 1rqa h THR 87 Ca 0.17 -1.86 -0.17 0.00 -0.55 0.00 0.00 66.41 63.99 1rqa h THR 87 Cb 0.13 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1rqa h THR 87 CO -0.16 0.54 -0.65 0.25 -0.25 0.00 0.00 175.52 175.24 1rqa h LEU 88 N 0.03 0.52 0.41 3.87 5.85 -1.74 -2.46 115.31 121.79 1rqa h LEU 88 Ca -0.00 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1rqa h LEU 88 Cb 0.97 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1rqa h LEU 88 CO 0.07 1.03 -0.20 -1.28 -0.34 0.00 0.00 178.44 177.73 1rqa h SER 89 N 0.33 -0.47 -0.90 1.25 0.87 -0.78 -0.71 113.55 113.13 1rqa h SER 89 Ca -0.02 -0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.63 1rqa h SER 89 Cb 1.21 0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 63.22 1rqa h SER 89 CO 0.12 -0.29 0.54 -0.33 -0.53 0.00 0.00 176.83 176.34 1rqa h GLU 90 N -0.61 0.88 -0.32 2.24 5.08 -1.47 -0.00 114.58 120.37 1rqa h GLU 90 Ca -0.06 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1rqa h GLU 90 Cb 0.46 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1rqa h GLU 90 CO 0.09 0.58 0.03 1.25 -1.00 0.00 0.00 179.01 179.96 1rqa h LEU 91 N 0.90 0.54 -1.34 1.33 5.85 -1.26 0.41 115.31 121.74 1rqa h LEU 91 Ca 0.43 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1rqa h LEU 91 Cb 0.38 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1rqa h LEU 91 CO -0.24 0.69 -0.11 0.45 -0.34 0.00 0.00 178.44 178.89 1rqa h HIS 92 N 0.37 0.33 0.09 1.25 3.86 -0.70 -1.32 115.15 119.02 1rqa h HIS 92 Ca 0.10 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1rqa h HIS 92 Cb 0.40 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1rqa h HIS 92 CO 0.03 0.42 -0.04 0.00 0.86 0.00 0.00 177.93 179.20 1rqa h ASP 94 N -0.46 0.65 0.07 0.00 3.32 -0.24 -2.57 116.42 117.19 1rqa h ASP 94 Ca -0.01 -0.35 -0.38 0.00 0.02 0.00 0.00 57.03 56.31 1rqa h ASP 94 Cb 0.09 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1rqa h ASP 94 CO 0.02 1.08 -2.19 0.29 -1.72 0.00 0.00 179.24 176.71 1rqa n LYS 95 N -3.95 0.71 -0.01 3.56 4.76 -0.56 -4.61 118.16 118.06 1rqa n LYS 95 Ca -0.03 0.22 0.08 0.00 -2.87 0.00 0.00 58.31 55.71 1rqa n LYS 95 Cb 0.62 -1.63 -0.12 0.00 -1.84 0.00 0.00 35.03 32.05 1rqa n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1rqa n LEU 96 N -3.40 0.27 -3.71 -0.35 4.77 -0.81 -5.01 117.00 108.76 1rqa n LEU 96 Ca -0.38 -0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.22 1rqa n LEU 96 Cb 1.02 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.14 1rqa n LEU 96 CO 0.36 0.07 -0.07 1.41 -1.33 0.00 0.00 177.39 177.83 1rqa n HIS 97 N -1.87 -1.91 -3.43 -1.77 8.25 -0.51 -4.95 115.22 109.03 1rqa n HIS 97 Ca -0.01 0.84 -0.38 0.00 -0.26 0.00 0.00 57.72 57.91 1rqa n HIS 97 Cb 0.39 -4.37 -0.08 0.00 1.12 0.00 0.00 29.99 27.04 1rqa n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rqa s VAL 98 N -3.67 5.22 0.11 1.59 1.01 -0.83 -5.03 120.40 118.80 1rqa s VAL 98 Ca 0.01 0.60 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 1rqa s VAL 98 Cb -0.00 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 1rqa s VAL 98 CO 0.81 0.25 1.87 -0.62 0.00 0.00 0.00 175.10 177.41 1rqa s ASP 99 N 1.13 6.41 0.35 3.32 -1.08 -1.26 -4.78 116.67 120.76 1rqa s ASP 99 Ca 0.17 2.77 0.23 0.00 -0.52 0.00 0.00 52.55 55.19 1rqa s ASP 99 Cb -0.15 -2.56 1.25 0.00 -1.46 0.00 0.00 42.92 40.00 1rqa s ASP 99 CO 0.08 -1.02 1.70 -0.65 0.52 0.00 0.00 175.17 175.79 1rqa h PRO 100 N 8.93 0.00 -0.85 4.34 0.11 -1.97 -1.37 132.00 141.20 1rqa h PRO 100 Ca -0.47 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.77 1rqa h PRO 100 Cb 1.22 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1rqa h PRO 100 CO 0.95 0.00 0.55 0.93 -0.21 0.00 0.00 178.00 180.22 1rqa h GLU 101 N 0.00 0.69 -0.00 1.05 4.39 -1.99 -0.66 114.58 118.05 1rqa h GLU 101 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1rqa h GLU 101 Cb 0.02 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1rqa h GLU 101 CO 0.00 0.45 0.00 -0.91 -1.16 0.00 0.00 179.01 177.40 1rqa h ASN 102 N 0.71 0.00 0.22 1.42 4.21 -1.62 -1.39 115.58 119.13 1rqa h ASN 102 Ca 0.41 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.85 1rqa h ASN 102 Cb 0.61 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 1rqa h ASN 102 CO -0.18 0.00 -0.30 -0.26 -1.29 0.00 0.00 177.43 175.41 1rqa h PHE 103 N 0.00 0.14 -0.24 1.19 0.04 -1.30 -2.46 116.94 114.30 1rqa h PHE 103 Ca 0.00 -0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.60 1rqa h PHE 103 Cb 0.01 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1rqa h PHE 103 CO 0.00 0.42 -0.45 0.00 -0.60 0.00 0.00 178.31 177.67 1rqa h ARG 104 N 0.11 0.62 -0.58 1.51 3.08 -1.34 -2.38 114.38 115.40 1rqa h ARG 104 Ca 0.02 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.63 1rqa h ARG 104 Cb 0.59 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1rqa h ARG 104 CO 0.04 0.95 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.80 1rqa h LEU 105 N 0.50 1.01 -0.50 3.04 3.38 -1.41 -2.06 115.31 119.26 1rqa h LEU 105 Ca 0.03 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 1rqa h LEU 105 Cb 0.98 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1rqa h LEU 105 CO 0.09 1.08 -0.01 0.25 0.09 0.00 0.00 178.44 179.94 1rqa h LEU 106 N 0.92 0.88 -1.03 1.67 5.85 -1.41 -1.51 115.31 120.68 1rqa h LEU 106 Ca 0.16 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1rqa h LEU 106 Cb 0.57 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1rqa h LEU 106 CO 0.03 0.98 0.65 1.23 -0.34 0.00 0.00 178.44 181.00 1rqa h GLY 107 N 0.76 1.42 1.36 3.75 0.00 -1.19 0.27 103.07 109.44 1rqa h GLY 107 Ca 0.14 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.78 1rqa h GLY 107 CO 0.03 0.47 -0.60 3.43 0.00 0.00 0.00 176.54 179.87 1rqa h ASN 108 N 1.30 0.75 -0.63 0.19 2.35 -1.12 -1.87 115.58 116.55 1rqa h ASN 108 Ca 0.38 -0.42 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 1rqa h ASN 108 Cb -0.08 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 1rqa h ASN 108 CO -0.10 1.18 0.09 0.58 -1.65 0.00 0.00 177.43 177.52 1rqa h VAL 109 N 0.50 1.26 -0.85 2.81 2.07 -0.73 -1.99 116.25 119.32 1rqa h VAL 109 Ca -0.00 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1rqa h VAL 109 Cb 1.18 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1rqa h VAL 109 CO 0.12 0.39 0.41 0.25 0.02 0.00 0.00 177.57 178.75 1rqa h LEU 110 N 0.97 1.10 -0.73 2.57 5.85 -0.24 -0.95 115.31 123.88 1rqa h LEU 110 Ca 0.19 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1rqa h LEU 110 Cb 0.46 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1rqa h LEU 110 CO 0.02 0.93 0.48 0.58 -0.34 0.00 0.00 178.44 180.10 1rqa h VAL 111 N 1.20 1.16 -0.98 1.05 2.07 -1.02 -1.22 116.25 118.52 1rqa h VAL 111 Ca 0.29 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1rqa h VAL 111 Cb 0.12 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 1rqa h VAL 111 CO -0.04 0.18 0.65 0.00 0.02 0.00 0.00 177.57 178.38 1rqa h VAL 113 N 1.32 1.27 -0.88 0.00 2.07 -0.75 -0.17 116.25 119.11 1rqa h VAL 113 Ca 0.36 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1rqa h VAL 113 Cb -0.15 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1rqa h VAL 113 CO -0.08 0.47 0.58 -0.07 0.02 0.00 0.00 177.57 178.50 1rqa h LEU 114 N 0.84 1.00 -0.66 2.57 3.38 -1.14 -1.47 115.31 119.84 1rqa h LEU 114 Ca 0.11 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1rqa h LEU 114 Cb 0.78 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1rqa h LEU 114 CO 0.06 0.72 -0.42 0.00 0.09 0.00 0.00 178.44 178.90 1rqa h ALA 115 N 1.33 0.84 -0.63 1.53 0.00 -0.92 -1.21 119.26 120.20 1rqa h ALA 115 Ca 0.33 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1rqa h ALA 115 Cb -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1rqa h ALA 115 CO -0.08 0.65 0.33 1.25 0.00 0.00 0.00 179.25 181.40 1rqa h HIS 116 N 0.46 0.88 -0.02 0.00 -0.00 -0.73 -0.49 115.15 115.26 1rqa h HIS 116 Ca 0.04 -0.03 -0.25 0.00 -0.00 0.00 0.00 60.37 60.13 1rqa h HIS 116 Cb 0.92 -0.28 0.01 0.00 -0.00 0.00 0.00 27.41 28.07 1rqa h HIS 116 CO 0.04 0.65 -0.97 0.45 -0.00 0.00 0.00 177.93 178.09 1rqa h HIS 117 N 0.86 0.88 0.00 5.26 -0.00 -1.04 -3.36 115.15 117.75 1rqa h HIS 117 Ca 0.22 -0.47 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1rqa h HIS 117 Cb 0.08 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1rqa h HIS 117 CO -0.00 1.30 -1.08 1.19 -0.00 0.00 0.00 177.93 179.33 1rqa n PHE 118 N -3.82 0.01 -0.99 2.45 3.72 -0.48 -5.03 117.46 113.32 1rqa n PHE 118 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1rqa n PHE 118 Cb 0.85 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 1rqa n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rqa n GLY 119 N 1.47 3.12 0.30 1.37 0.00 -0.20 -1.63 105.19 109.62 1rqa n GLY 119 Ca 0.03 -0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.09 1rqa n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1rqa h LYS 120 N 0.00 0.00 0.00 1.61 -0.00 -1.96 -0.06 116.57 116.16 1rqa h LYS 120 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.60 1rqa h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.22 1rqa h LYS 120 CO 0.00 0.00 -0.25 1.49 -0.00 0.00 0.00 179.45 180.69 1rqa h GLU 121 N 0.00 0.00 -4.51 0.07 4.81 -1.70 -3.32 114.58 109.93 1rqa h GLU 121 Ca 0.00 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.52 1rqa h GLU 121 Cb 0.15 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.46 1rqa h GLU 121 CO 0.00 0.25 2.70 0.34 -0.73 0.00 0.00 179.01 181.57 1rqa n PHE 122 N -3.79 3.86 -1.52 0.92 7.35 -0.04 -4.94 117.46 119.30 1rqa n PHE 122 Ca -0.01 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.44 1rqa n PHE 122 Cb 0.35 -2.51 0.10 0.00 0.35 0.00 0.00 39.48 37.77 1rqa n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1rqa s THR 123 N 3.16 2.83 0.24 -2.13 -4.23 -1.25 -4.75 115.64 109.51 1rqa s THR 123 Ca 0.48 0.27 -0.07 0.00 -1.18 0.00 0.00 61.69 61.19 1rqa s THR 123 Cb 0.10 -3.00 0.26 0.00 1.34 0.00 0.00 72.50 71.20 1rqa s THR 123 CO -0.03 -0.35 1.65 -0.65 -0.54 0.00 0.00 174.62 174.70 1rqa h PRO 124 N -1.20 0.14 -0.68 3.99 0.11 -1.94 -0.73 132.00 131.69 1rqa h PRO 124 Ca -0.48 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1rqa h PRO 124 Cb 1.28 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1rqa h PRO 124 CO 0.59 0.09 0.11 -1.35 -0.21 0.00 0.00 178.00 177.24 1rqa h PRO 125 N 0.14 1.13 -0.39 1.05 0.11 -1.99 -1.64 132.00 130.41 1rqa h PRO 125 Ca 0.41 -0.30 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 1rqa h PRO 125 Cb 0.71 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 1rqa h PRO 125 CO -0.61 1.03 -0.03 0.28 -0.21 0.00 0.00 178.00 178.46 1rqa h VAL 126 N 1.05 1.22 0.06 3.15 2.07 -1.82 -1.95 116.25 120.03 1rqa h VAL 126 Ca 0.21 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1rqa h VAL 126 Cb 0.45 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1rqa h VAL 126 CO 0.01 0.32 -0.03 -0.61 0.02 0.00 0.00 177.57 177.28 1rqa h GLN 127 N 0.59 -0.08 -0.82 1.57 4.15 -0.84 -1.25 115.11 118.44 1rqa h GLN 127 Ca 0.12 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.70 1rqa h GLN 127 Cb 0.41 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 28.02 1rqa h GLN 127 CO 0.02 0.24 0.37 0.00 -1.93 0.00 0.00 178.83 177.53 1rqa h ALA 128 N 0.52 1.21 -0.44 3.38 0.00 -1.09 0.11 119.26 122.95 1rqa h ALA 128 Ca -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1rqa h ALA 128 Cb 0.35 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1rqa h ALA 128 CO 0.01 -0.18 0.20 0.00 0.00 0.00 0.00 179.25 179.29 1rqa h ALA 129 N 1.58 0.57 -0.42 0.00 0.00 -1.09 -2.78 119.26 117.12 1rqa h ALA 129 Ca 0.46 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1rqa h ALA 129 Cb 0.71 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1rqa h ALA 129 CO -0.41 0.15 0.02 1.88 0.00 0.00 0.00 179.25 180.89 1rqa h TYR 130 N 0.57 0.69 -0.63 0.00 0.05 0.08 -2.30 116.97 115.43 1rqa h TYR 130 Ca 0.15 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 1rqa h TYR 130 Cb 0.14 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1rqa h TYR 130 CO -0.01 0.64 0.22 1.96 -1.05 0.00 0.00 178.16 179.93 1rqa h GLN 131 N 0.63 0.96 -0.62 4.88 1.08 -0.64 -0.48 115.11 120.92 1rqa h GLN 131 Ca 0.13 -0.19 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 1rqa h GLN 131 Cb 0.36 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1rqa h GLN 131 CO 0.01 0.84 0.18 0.87 -0.95 0.00 0.00 178.83 179.78 1rqa h LYS 132 N 0.90 0.95 -0.29 1.46 1.57 -1.25 -0.79 116.57 119.11 1rqa h LYS 132 Ca 0.21 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1rqa h LYS 132 Cb 0.26 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1rqa h LYS 132 CO -0.01 0.82 -0.00 0.28 -0.57 0.00 0.00 179.45 179.97 1rqa h VAL 133 N 0.91 1.26 0.00 0.50 2.07 -0.84 -0.99 116.25 119.16 1rqa h VAL 133 Ca 0.20 -0.94 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 1rqa h VAL 133 Cb 0.28 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1rqa h VAL 133 CO -0.01 0.30 -0.55 -0.37 0.02 0.00 0.00 177.57 176.97 1rqa h VAL 134 N 0.30 1.22 -0.30 2.57 -1.51 -0.92 0.15 116.25 117.76 1rqa h VAL 134 Ca 0.08 -2.01 -0.07 0.00 -1.23 0.00 0.00 66.70 63.47 1rqa h VAL 134 Cb 0.44 2.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 1rqa h VAL 134 CO 0.02 0.54 -0.10 0.00 -1.23 0.00 0.00 177.57 176.79 1rqa h ALA 135 N 1.45 0.42 -0.86 5.19 0.00 -1.10 -0.77 119.26 123.59 1rqa h ALA 135 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1rqa h ALA 135 Cb 1.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1rqa h ALA 135 CO 0.07 0.27 0.56 0.78 0.00 0.00 0.00 179.25 180.93 1rqa h GLY 136 N 0.36 1.21 1.08 0.00 0.00 -0.92 -0.65 103.07 104.16 1rqa h GLY 136 Ca 0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 1rqa h GLY 136 CO 0.04 0.45 0.02 -2.08 0.00 0.00 0.00 176.54 174.97 1rqa h VAL 137 N 1.17 1.27 -0.58 4.60 2.07 -0.79 -0.63 116.25 123.35 1rqa h VAL 137 Ca 0.31 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 1rqa h VAL 137 Cb -0.12 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1rqa h VAL 137 CO -0.07 0.41 0.05 0.00 0.02 0.00 0.00 177.57 177.98 1rqa h ALA 138 N 0.99 0.99 -0.40 1.67 0.00 -0.90 -0.16 119.26 121.45 1rqa h ALA 138 Ca 0.18 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1rqa h ALA 138 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1rqa h ALA 138 CO 0.03 0.63 -0.29 -0.91 0.00 0.00 0.00 179.25 178.71 1rqa h ASN 139 N 0.90 0.89 -0.71 0.00 2.35 -0.87 -2.29 115.58 115.85 1rqa h ASN 139 Ca 0.17 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 1rqa h ASN 139 Cb 0.46 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1rqa h ASN 139 CO 0.02 1.12 0.21 0.00 -1.65 0.00 0.00 177.43 177.12 1rqa h ALA 140 N 0.94 0.93 0.00 -0.83 0.00 -0.68 -1.84 119.26 117.78 1rqa h ALA 140 Ca 0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1rqa h ALA 140 Cb 0.84 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1rqa h ALA 140 CO 0.07 0.63 -0.17 -0.07 0.00 0.00 0.00 179.25 179.71 1rqa h LEU 141 N 1.06 0.00 0.00 0.00 3.38 -0.88 -2.96 115.31 115.91 1rqa h LEU 141 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1rqa h LEU 141 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1rqa h LEU 141 CO -0.00 0.17 -0.59 0.00 0.09 0.00 0.00 178.44 178.11 1rqa n ALA 142 N -2.22 3.03 0.20 1.53 0.00 -0.87 -4.28 120.51 117.88 1rqa n ALA 142 Ca -0.00 -0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.22 1rqa n ALA 142 Cb 0.36 -1.17 0.48 0.00 0.00 0.00 0.00 19.45 19.12 1rqa n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1rqa h HIS 143 N 0.00 0.07 -0.42 0.00 2.07 -1.17 -2.57 115.15 113.13 1rqa h HIS 143 Ca 0.00 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1rqa h HIS 143 Cb 0.69 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.65 1rqa h HIS 143 CO 0.00 0.21 0.00 1.63 -3.07 0.00 0.00 177.93 176.70 1rqa n LYS 144 N -4.33 2.34 -2.38 5.12 4.76 -1.26 -4.89 118.16 117.51 1rqa n LYS 144 Ca -0.02 -1.66 -0.40 0.00 -2.87 0.00 0.00 58.31 53.35 1rqa n LYS 144 Cb 0.23 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 1rqa n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1rqa s TYR 145 N -1.56 3.44 0.00 2.13 1.51 -0.97 -4.70 117.35 117.20 1rqa s TYR 145 Ca 0.30 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 57.96 1rqa s TYR 145 Cb 0.18 -3.39 0.00 0.00 -0.11 0.00 0.00 41.96 38.63 1rqa s TYR 145 CO 0.18 -0.93 0.00 -2.39 -1.11 0.00 0.00 175.55 171.29