#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fkq n GLU 1 N 0.00 -0.83 -3.41 3.17 0.00 -1.26 -3.85 120.64 114.46 1fkq n GLU 1 Ca 0.00 0.43 -0.38 0.00 0.00 0.00 0.00 57.16 57.22 1fkq n GLU 1 Cb 0.00 -3.21 -0.06 0.00 0.00 0.00 0.00 31.44 28.17 1fkq n GLU 1 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1fkq s GLN 2 N -3.46 4.15 0.71 5.31 -0.21 -1.26 -2.99 119.66 121.90 1fkq s GLN 2 Ca 0.15 0.41 -0.05 0.00 0.02 0.00 0.00 55.36 55.90 1fkq s GLN 2 Cb -0.02 -3.33 0.08 0.00 1.00 0.00 0.00 33.01 30.74 1fkq s GLN 2 CO 0.29 0.42 1.00 -0.51 -2.12 0.00 0.00 175.29 174.37 1fkq s LEU 3 N -0.21 2.92 0.32 2.90 1.43 -0.58 -4.97 118.68 120.49 1fkq s LEU 3 Ca 0.24 0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 1fkq s LEU 3 Cb -0.16 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1fkq s LEU 3 CO 0.11 -1.68 0.46 0.42 0.23 0.00 0.00 176.35 175.89 1fkq s THR 4 N -3.20 4.31 0.25 5.49 -4.23 -1.26 -4.84 115.64 112.15 1fkq s THR 4 Ca 0.62 -0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 60.13 1fkq s THR 4 Cb -0.09 -3.50 0.23 0.00 1.34 0.00 0.00 72.50 70.48 1fkq s THR 4 CO 0.44 -0.20 1.85 0.50 -0.54 0.00 0.00 174.62 176.67 1fkq h LYS 5 N 0.92 0.97 -0.38 3.99 3.64 -1.99 -1.18 116.57 122.53 1fkq h LYS 5 Ca -0.47 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 58.75 1fkq h LYS 5 Cb 1.25 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1fkq h LYS 5 CO 0.55 0.64 -0.18 0.00 -2.27 0.00 0.00 179.45 178.18 1fkq h GLU 7 N 0.64 0.60 -0.72 0.00 5.08 -1.80 -2.44 114.58 115.94 1fkq h GLU 7 Ca 0.10 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1fkq h GLU 7 Cb 0.66 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1fkq h GLU 7 CO 0.05 0.72 0.29 0.28 -1.00 0.00 0.00 179.01 179.34 1fkq h VAL 8 N 0.41 1.25 -0.97 3.13 2.07 -1.04 -0.41 116.25 120.70 1fkq h VAL 8 Ca 0.10 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.87 1fkq h VAL 8 Cb 0.44 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1fkq h VAL 8 CO 0.02 0.31 0.64 0.15 0.02 0.00 0.00 177.57 178.71 1fkq h PHE 9 N 1.03 1.20 -0.04 1.57 3.04 -0.85 -1.25 116.94 121.64 1fkq h PHE 9 Ca 0.24 0.03 -0.24 0.00 3.98 0.00 0.00 57.97 61.98 1fkq h PHE 9 Cb 0.21 -0.40 0.01 0.00 2.56 0.00 0.00 35.95 38.32 1fkq h PHE 9 CO 0.02 0.72 -0.93 1.96 -2.02 0.00 0.00 178.31 178.06 1fkq h GLN 10 N 1.26 0.58 0.00 1.11 4.20 -1.07 -3.33 115.11 117.86 1fkq h GLN 10 Ca 0.38 -0.58 -0.09 0.00 0.06 0.00 0.00 58.65 58.41 1fkq h GLN 10 Cb -0.06 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1fkq h GLN 10 CO -0.11 1.19 -0.45 0.87 -0.67 0.00 0.00 178.83 179.67 1fkq h LYS 11 N 0.35 0.00 -0.32 1.46 1.57 -0.67 -3.13 116.57 115.82 1fkq h LYS 11 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1fkq h LYS 11 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.87 1fkq h LYS 11 CO 0.17 0.45 0.00 1.28 -0.57 0.00 0.00 179.45 180.78 1fkq n LEU 12 N -3.60 2.23 -0.31 2.94 4.77 -0.51 -4.59 117.00 117.92 1fkq n LEU 12 Ca -0.00 -1.02 0.06 0.00 -0.03 0.00 0.00 56.01 55.01 1fkq n LEU 12 Cb 0.55 -0.21 0.13 0.00 -2.33 0.00 0.00 43.42 41.55 1fkq n LEU 12 CO 0.38 0.51 0.58 1.17 -1.33 0.00 0.00 177.39 178.71 1fkq n LYS 13 N 0.70 -0.08 0.00 3.23 0.00 -1.19 -0.20 118.16 120.62 1fkq n LYS 13 Ca 0.16 1.36 0.02 0.00 0.00 0.00 0.00 58.31 59.85 1fkq n LYS 13 Cb 0.39 -2.04 0.09 0.00 0.00 0.00 0.00 35.03 33.47 1fkq n LYS 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1fkq n ASP 14 N -5.42 0.00 0.01 3.14 8.00 -1.26 -1.38 116.55 119.64 1fkq n ASP 14 Ca 0.14 0.45 0.11 0.00 0.71 0.00 0.00 54.79 56.20 1fkq n ASP 14 Cb 0.45 -0.46 0.12 0.00 -0.02 0.00 0.00 41.12 41.21 1fkq n ASP 14 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1fkq n LEU 15 N -1.46 0.65 -4.59 0.64 4.77 0.72 -4.86 117.00 112.88 1fkq n LEU 15 Ca 0.01 -0.12 -0.59 0.00 -0.03 0.00 0.00 56.01 55.28 1fkq n LEU 15 Cb 0.04 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 1fkq n LEU 15 CO 0.04 0.14 1.46 1.17 -1.33 0.00 0.00 177.39 178.86 1fkq n LYS 16 N -1.59 0.73 -0.84 3.23 4.81 -0.48 -0.71 118.16 123.31 1fkq n LYS 16 Ca 0.04 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1fkq n LYS 16 Cb 0.35 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.44 1fkq n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1fkq n ASP 17 N 6.38 -1.73 -4.68 3.14 10.43 0.39 -4.91 116.55 125.57 1fkq n ASP 17 Ca 0.35 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 57.29 1fkq n ASP 17 Cb 0.08 -1.58 -0.03 0.00 1.84 0.00 0.00 41.12 41.43 1fkq n ASP 17 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1fkq s TYR 18 N -2.08 2.07 -0.38 1.24 5.04 0.11 -0.78 117.35 122.57 1fkq s TYR 18 Ca 0.00 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1fkq s TYR 18 Cb 0.00 -4.04 0.00 0.00 0.35 0.00 0.00 41.96 38.27 1fkq s TYR 18 CO 0.00 -4.35 0.00 0.41 -1.34 0.00 0.00 175.55 170.27 1fkq n GLY 19 N 4.17 0.57 1.47 8.97 0.00 -1.26 -1.73 105.19 117.37 1fkq n GLY 19 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1fkq n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fkq n GLY 20 N -1.22 0.67 3.57 -0.02 0.00 0.04 -5.03 105.19 103.19 1fkq n GLY 20 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1fkq n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fkq s VAL 21 N -2.14 5.13 0.88 1.61 1.01 -0.71 -4.90 120.40 121.28 1fkq s VAL 21 Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1fkq s VAL 21 Cb 0.00 -3.82 0.12 0.00 0.00 0.00 0.00 36.38 32.69 1fkq s VAL 21 CO 0.00 -0.04 1.11 -0.94 0.00 0.00 0.00 175.10 175.23 1fkq s SER 22 N 1.70 3.41 0.08 3.32 1.04 -1.26 -0.46 113.70 121.53 1fkq s SER 22 Ca 0.15 1.88 -0.24 0.00 0.48 0.00 0.00 55.95 58.22 1fkq s SER 22 Cb -0.16 -2.46 -0.16 0.00 0.10 0.00 0.00 66.02 63.34 1fkq s SER 22 CO 0.11 -2.74 1.68 0.25 0.98 0.00 0.00 173.24 173.52 1fkq h LEU 23 N -1.62 -0.05 -1.42 2.42 5.85 -1.91 -2.14 115.31 116.45 1fkq h LEU 23 Ca -0.46 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.34 1fkq h LEU 23 Cb 1.26 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 1fkq h LEU 23 CO 0.48 0.02 0.52 1.55 -0.34 0.00 0.00 178.44 180.67 1fkq h PRO 24 N -0.11 0.58 -0.21 5.25 0.13 -1.89 -0.18 132.00 135.57 1fkq h PRO 24 Ca -0.01 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 1fkq h PRO 24 Cb 0.09 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 1fkq h PRO 24 CO 0.01 0.39 -0.28 1.49 -0.23 0.00 0.00 178.00 179.38 1fkq h GLU 25 N 0.60 0.41 -0.36 0.86 4.81 -1.72 -2.16 114.58 117.03 1fkq h GLU 25 Ca 0.39 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1fkq h GLU 25 Cb 0.66 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1fkq h GLU 25 CO -0.15 0.66 -0.28 -1.49 -0.73 0.00 0.00 179.01 177.01 1fkq h TRP 26 N 0.36 0.88 -0.61 0.92 4.06 -0.42 -0.83 115.95 120.32 1fkq h TRP 26 Ca 0.05 -0.22 -0.08 0.00 2.06 0.00 0.00 58.89 60.70 1fkq h TRP 26 Cb 0.68 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 1fkq h TRP 26 CO 0.02 0.96 0.08 0.28 -3.56 0.00 0.00 178.44 176.21 1fkq h VAL 27 N 0.65 1.26 -0.54 1.49 2.07 -1.07 -1.15 116.25 118.96 1fkq h VAL 27 Ca 0.08 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 1fkq h VAL 27 Cb 0.81 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1fkq h VAL 27 CO 0.07 0.38 0.11 0.00 0.02 0.00 0.00 177.57 178.15 1fkq h VAL 29 N 0.77 1.11 -0.24 0.00 2.07 -0.82 0.66 116.25 119.79 1fkq h VAL 29 Ca 0.17 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1fkq h VAL 29 Cb 0.37 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1fkq h VAL 29 CO 0.01 0.12 0.15 0.00 0.02 0.00 0.00 177.57 177.86 1fkq h ALA 30 N 1.18 0.31 -0.47 1.67 0.00 -0.90 -0.03 119.26 121.02 1fkq h ALA 30 Ca 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1fkq h ALA 30 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1fkq h ALA 30 CO -0.05 -0.20 0.15 0.35 0.00 0.00 0.00 179.25 179.50 1fkq h PHE 31 N 0.31 0.76 -0.66 0.00 3.57 -1.08 -1.30 116.94 118.55 1fkq h PHE 31 Ca 0.09 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1fkq h PHE 31 Cb -0.01 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 1fkq h PHE 31 CO -0.05 0.67 0.31 1.25 -2.23 0.00 0.00 178.31 178.26 1fkq h HIS 32 N 0.63 0.92 0.02 0.41 2.76 -0.55 0.10 115.15 119.45 1fkq h HIS 32 Ca 0.15 -0.03 -0.30 0.00 -2.20 0.00 0.00 60.37 57.99 1fkq h HIS 32 Cb 0.26 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.89 1fkq h HIS 32 CO 0.01 0.68 -1.71 1.79 -1.30 0.00 0.00 177.93 177.40 1fkq h THR 33 N 0.93 0.87 0.00 6.26 1.35 -0.85 -3.43 112.91 118.04 1fkq h THR 33 Ca 0.23 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 1fkq h THR 33 Cb 0.10 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1fkq h THR 33 CO -0.03 0.58 0.00 -1.54 -0.25 0.00 0.00 175.52 174.28 1fkq n SER 34 N -3.14 0.11 -1.97 5.36 3.41 -0.51 -4.89 113.62 111.99 1fkq n SER 34 Ca -0.18 -0.86 -0.18 0.00 -0.26 0.00 0.00 58.87 57.39 1fkq n SER 34 Cb 1.05 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 65.00 1fkq n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fkq n GLY 35 N 0.02 -0.12 2.26 5.00 0.00 0.36 -1.94 105.19 110.76 1fkq n GLY 35 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 1fkq n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fkq n TYR 36 N -3.83 0.00 -2.75 1.61 0.53 -1.23 -4.78 117.16 106.71 1fkq n TYR 36 Ca -0.21 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.25 1fkq n TYR 36 Cb 0.65 -0.69 -0.04 0.00 -1.03 0.00 0.00 39.34 38.23 1fkq n TYR 36 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1fkq s ASP 37 N -2.17 6.27 0.45 7.72 -1.08 -0.82 -1.52 116.67 125.51 1fkq s ASP 37 Ca 0.00 -0.49 0.31 0.00 -0.52 0.00 0.00 52.55 51.84 1fkq s ASP 37 Cb 0.00 -2.47 1.54 0.00 -1.46 0.00 0.00 42.92 40.52 1fkq s ASP 37 CO 0.00 -1.45 1.93 0.71 0.52 0.00 0.00 175.17 176.88 1fkq h THR 38 N 6.03 0.00 -0.37 1.71 1.35 -1.77 -2.61 112.91 117.25 1fkq h THR 38 Ca -0.27 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1fkq h THR 38 Cb 1.07 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1fkq h THR 38 CO 1.17 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.44 1fkq n GLN 39 N -2.63 3.33 -2.16 4.72 6.02 -1.25 -4.09 117.38 121.31 1fkq n GLN 39 Ca -0.01 -2.77 -0.41 0.00 -0.01 0.00 0.00 57.00 53.79 1fkq n GLN 39 Cb 0.13 -1.82 -0.03 0.00 1.02 0.00 0.00 30.24 29.54 1fkq n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fkq s ALA 40 N -2.41 3.56 -0.05 -1.58 0.00 -0.98 -4.77 121.76 115.52 1fkq s ALA 40 Ca 0.42 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1fkq s ALA 40 Cb 0.32 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.96 1fkq s ALA 40 CO 0.13 -0.59 -0.03 0.42 0.00 0.00 0.00 175.76 175.68 1fkq s ILE 41 N 0.16 0.52 -0.02 0.00 1.01 -1.26 0.35 121.20 121.97 1fkq s ILE 41 Ca 0.58 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.19 1fkq s ILE 41 Cb -0.38 -0.58 -0.00 0.00 0.01 0.00 0.00 42.46 41.51 1fkq s ILE 41 CO 0.39 0.24 -0.10 -0.69 0.00 0.00 0.00 174.94 174.78 1fkq s VAL 42 N 1.22 0.87 -0.24 2.92 1.01 -0.32 -4.96 120.40 120.91 1fkq s VAL 42 Ca -0.06 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1fkq s VAL 42 Cb -0.14 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1fkq s VAL 42 CO -0.02 0.26 0.86 -1.58 0.00 0.00 0.00 175.10 174.62 1fkq s GLN 43 N 0.08 4.20 0.53 2.72 2.00 -1.26 -0.18 119.66 127.74 1fkq s GLN 43 Ca -0.02 1.00 0.07 0.00 -2.00 0.00 0.00 55.36 54.41 1fkq s GLN 43 Cb -0.08 -3.64 0.04 0.00 0.80 0.00 0.00 33.01 30.13 1fkq s GLN 43 CO 0.00 -0.53 0.49 -0.80 -0.50 0.00 0.00 175.29 173.96 1fkq s ASN 44 N 1.32 4.79 0.35 6.67 -0.87 0.43 -4.98 114.94 122.64 1fkq s ASN 44 Ca 0.36 -1.09 0.13 0.00 -1.57 0.00 0.00 52.86 50.69 1fkq s ASN 44 Cb -0.15 0.26 0.95 0.00 -0.02 0.00 0.00 41.25 42.28 1fkq s ASN 44 CO 0.07 -1.10 1.76 0.78 -2.57 0.00 0.00 177.10 176.04 1fkq h ASN 45 N 0.66 0.60 0.00 -1.22 -0.26 -2.03 -3.19 115.58 110.14 1fkq h ASN 45 Ca -0.36 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 1fkq h ASN 45 Cb 1.29 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.56 1fkq h ASN 45 CO 0.54 0.13 -0.38 -0.90 -1.06 0.00 0.00 177.43 175.76 1fkq n ASP 46 N -4.75 0.00 -3.72 5.81 3.85 -1.26 -5.12 116.55 111.36 1fkq n ASP 46 Ca 0.25 -1.75 -0.03 0.00 -0.71 0.00 0.00 54.79 52.55 1fkq n ASP 46 Cb 0.76 -0.15 -0.01 0.00 -1.35 0.00 0.00 41.12 40.37 1fkq n ASP 46 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1fkq s SER 47 N -0.75 -0.16 -0.08 -1.12 1.04 -1.21 -4.86 113.70 106.57 1fkq s SER 47 Ca 0.00 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1fkq s SER 47 Cb 0.00 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1fkq s SER 47 CO 0.00 -0.78 -0.10 -0.89 0.98 0.00 0.00 173.24 172.44 1fkq s THR 48 N -3.12 3.38 -0.07 2.02 2.01 -1.26 0.16 115.64 118.76 1fkq s THR 48 Ca 0.12 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1fkq s THR 48 Cb -0.00 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1fkq s THR 48 CO 0.01 0.58 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.83 1fkq s GLU 49 N -0.52 2.82 -0.00 4.92 2.02 0.74 -1.98 118.70 126.70 1fkq s GLU 49 Ca 0.07 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.57 1fkq s GLU 49 Cb -0.12 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.49 1fkq s GLU 49 CO 0.02 0.62 -0.23 0.71 0.02 0.00 0.00 175.26 176.39 1fkq s TYR 50 N -0.68 2.42 0.00 1.61 2.02 -0.23 -1.17 117.35 121.32 1fkq s TYR 50 Ca 0.10 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 1fkq s TYR 50 Cb -0.11 -1.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1fkq s TYR 50 CO 0.02 0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.48 1fkq n GLY 51 N 2.14 -0.91 0.35 0.71 0.00 0.16 -1.39 105.19 106.24 1fkq n GLY 51 Ca -0.16 -1.10 0.07 0.00 0.00 0.00 0.00 46.02 44.83 1fkq n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fkq h LEU 52 N 0.00 0.84 -2.15 0.99 5.85 -1.71 -1.38 115.31 117.76 1fkq h LEU 52 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1fkq h LEU 52 Cb 0.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1fkq h LEU 52 CO 0.00 0.43 0.00 0.49 -0.34 0.00 0.00 178.44 179.02 1fkq n PHE 53 N -4.68 0.50 -3.96 1.25 3.72 -1.26 -4.08 117.46 108.95 1fkq n PHE 53 Ca 0.19 -0.25 -0.40 0.00 -0.05 0.00 0.00 57.45 56.94 1fkq n PHE 53 Cb 0.38 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.94 1fkq n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1fkq n GLN 54 N 1.32 -0.76 -2.74 -1.08 1.13 -0.52 -4.90 117.38 109.83 1fkq n GLN 54 Ca 0.19 0.21 -0.42 0.00 -1.94 0.00 0.00 57.00 55.05 1fkq n GLN 54 Cb 0.56 -3.21 -0.03 0.00 0.11 0.00 0.00 30.24 27.67 1fkq n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1fkq s ILE 55 N -3.58 4.89 0.41 5.09 1.01 -0.48 -4.41 121.20 124.11 1fkq s ILE 55 Ca 0.43 2.01 -0.10 0.00 0.00 0.00 0.00 60.65 62.99 1fkq s ILE 55 Cb -0.21 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 1fkq s ILE 55 CO 0.93 0.17 0.77 0.54 0.00 0.00 0.00 174.94 177.35 1fkq s ASN 56 N 0.99 6.49 -0.07 3.58 6.03 -1.26 -1.07 114.94 129.63 1fkq s ASN 56 Ca 0.51 1.11 0.09 0.00 -1.03 0.00 0.00 52.86 53.54 1fkq s ASN 56 Cb -0.21 -2.31 0.39 0.00 -3.03 0.00 0.00 41.25 36.09 1fkq s ASN 56 CO 0.27 -0.42 1.21 -0.46 -2.03 0.00 0.00 177.10 175.68 1fkq n ASN 57 N -1.39 2.90 -0.12 3.54 6.94 -0.84 -2.18 115.26 124.11 1fkq n ASN 57 Ca 0.02 -2.28 -0.17 0.00 -0.02 0.00 0.00 54.58 52.13 1fkq n ASN 57 Cb 0.54 -0.46 -0.12 0.00 -2.36 0.00 0.00 39.78 37.39 1fkq n ASN 57 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1fkq n LYS 58 N 0.46 0.63 -0.00 -3.83 4.81 -1.26 -4.40 118.16 114.57 1fkq n LYS 58 Ca 0.14 0.13 -0.01 0.00 -0.87 0.00 0.00 58.31 57.71 1fkq n LYS 58 Cb 0.57 -1.49 -0.00 0.00 0.02 0.00 0.00 35.03 34.13 1fkq n LYS 58 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1fkq n ILE 59 N -3.19 0.04 -0.06 3.15 2.08 -1.26 -2.71 119.36 117.41 1fkq n ILE 59 Ca -0.43 -0.02 -0.22 0.00 0.56 0.00 0.00 62.75 62.64 1fkq n ILE 59 Cb 0.97 -0.55 -0.12 0.00 -0.75 0.00 0.00 39.64 39.19 1fkq n ILE 59 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1fkq n TRP 60 N -2.50 1.01 -4.37 1.39 7.02 -1.08 -1.57 117.44 117.33 1fkq n TRP 60 Ca -0.01 0.31 -0.19 0.00 -1.02 0.00 0.00 57.50 56.60 1fkq n TRP 60 Cb 0.51 -1.12 -0.10 0.00 -2.42 0.00 0.00 31.31 28.18 1fkq n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1fkq s LYS 62 N -3.89 2.83 0.27 0.00 2.47 -0.62 -4.23 119.74 116.58 1fkq s LYS 62 Ca 0.32 -0.68 0.03 0.00 -1.56 0.00 0.00 55.97 54.09 1fkq s LYS 62 Cb 0.07 -2.49 -0.01 0.00 -1.46 0.00 0.00 37.83 33.94 1fkq s LYS 62 CO 0.12 0.48 0.12 -0.40 0.16 0.00 0.00 175.35 175.83 1fkq n ASP 63 N 2.73 0.75 -0.00 1.43 5.68 -1.26 -1.68 116.55 124.20 1fkq n ASP 63 Ca -0.18 -2.51 -0.02 0.00 -0.50 0.00 0.00 54.79 51.58 1fkq n ASP 63 Cb 0.52 0.82 0.23 0.00 -1.14 0.00 0.00 41.12 41.55 1fkq n ASP 63 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1fkq h ASP 64 N 1.20 0.51 -0.42 -1.12 3.04 -1.99 -3.20 116.42 114.43 1fkq h ASP 64 Ca -0.21 -0.14 -0.05 0.00 -3.24 0.00 0.00 57.03 53.39 1fkq h ASP 64 Cb 0.84 -0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 38.98 1fkq h ASP 64 CO 0.32 0.68 0.08 1.56 -2.04 0.00 0.00 179.24 179.84 1fkq h GLN 65 N 0.48 0.70 -2.98 4.15 4.20 -1.98 -3.39 115.11 116.29 1fkq h GLN 65 Ca 0.09 -0.18 -0.61 0.00 0.06 0.00 0.00 58.65 58.00 1fkq h GLN 65 Cb 0.53 -0.08 -0.40 0.00 0.30 0.00 0.00 27.48 27.83 1fkq h GLN 65 CO 0.03 0.73 -0.72 1.21 -0.67 0.00 0.00 178.83 179.41 1fkq s ASN 66 N -6.09 3.67 0.00 1.46 2.47 -1.21 -4.92 114.94 110.33 1fkq s ASN 66 Ca -0.13 -2.94 0.18 0.00 0.42 0.00 0.00 52.86 50.38 1fkq s ASN 66 Cb 0.10 -1.14 0.93 0.00 -1.45 0.00 0.00 41.25 39.69 1fkq s ASN 66 CO 0.78 -0.22 1.52 -2.65 -3.72 0.00 0.00 177.10 172.81 1fkq n PRO 67 N 3.13 0.32 -0.13 0.43 -0.02 -1.24 -2.12 135.00 135.36 1fkq n PRO 67 Ca 0.13 0.10 0.10 0.00 -2.02 0.00 0.00 63.50 61.80 1fkq n PRO 67 Cb 0.36 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.64 1fkq n PRO 67 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1fkq n HIS 68 N -1.23 0.35 -1.68 6.00 8.25 -1.26 -4.96 115.22 120.69 1fkq n HIS 68 Ca 0.09 -0.18 -0.42 0.00 -0.26 0.00 0.00 57.72 56.95 1fkq n HIS 68 Cb 0.12 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.23 1fkq n HIS 68 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1fkq n SER 69 N 0.70 2.48 0.27 0.41 2.88 -0.90 -4.83 113.62 114.63 1fkq n SER 69 Ca 0.17 1.17 0.18 0.00 -1.33 0.00 0.00 58.87 59.06 1fkq n SER 69 Cb 0.41 -1.46 0.83 0.00 -0.75 0.00 0.00 64.21 63.24 1fkq n SER 69 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1fkq h ARG 70 N 2.34 0.00 -6.67 -1.46 2.43 -1.67 -3.47 114.38 105.88 1fkq h ARG 70 Ca -0.46 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.18 1fkq h ARG 70 Cb 1.29 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.78 1fkq h ARG 70 CO 0.61 0.00 -0.94 -1.71 -1.51 0.00 0.00 179.97 176.43 1fkq n ASN 71 N -2.90 -1.33 -0.08 -3.80 5.15 -1.08 -4.86 115.26 106.36 1fkq n ASN 71 Ca -0.01 -1.12 0.01 0.00 -0.60 0.00 0.00 54.58 52.86 1fkq n ASN 71 Cb 0.19 -2.53 0.31 0.00 -0.53 0.00 0.00 39.78 37.22 1fkq n ASN 71 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1fkq h ILE 72 N -1.96 1.17 -0.00 -1.44 2.04 -1.16 -0.61 117.51 115.55 1fkq h ILE 72 Ca -0.66 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1fkq h ILE 72 Cb 1.38 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1fkq h ILE 72 CO 0.61 0.19 -0.01 0.00 0.00 0.00 0.00 178.15 178.93 1fkq n ASN 74 N -1.10 -5.03 -3.45 0.00 4.05 -0.24 -4.98 115.26 104.51 1fkq n ASN 74 Ca 0.18 -0.96 -0.14 0.00 0.45 0.00 0.00 54.58 54.11 1fkq n ASN 74 Cb 0.20 -3.65 -0.03 0.00 1.23 0.00 0.00 39.78 37.53 1fkq n ASN 74 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1fkq s ILE 75 N -3.49 0.00 0.17 -1.44 2.07 -1.26 -5.08 121.20 112.17 1fkq s ILE 75 Ca 0.42 -0.01 -0.30 0.00 -1.41 0.00 0.00 60.65 59.36 1fkq s ILE 75 Cb -0.14 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.38 1fkq s ILE 75 CO 0.84 -0.00 1.00 -0.55 -1.91 0.00 0.00 174.94 174.32 1fkq s SER 76 N -2.35 7.47 0.38 4.50 0.15 -1.26 -1.58 113.70 121.01 1fkq s SER 76 Ca -0.02 1.93 0.06 0.00 0.70 0.00 0.00 55.95 58.62 1fkq s SER 76 Cb -0.01 -2.60 0.78 0.00 -1.71 0.00 0.00 66.02 62.48 1fkq s SER 76 CO -0.07 -0.05 2.02 0.00 1.20 0.00 0.00 173.24 176.33 1fkq n ASP 78 N -4.46 0.53 0.03 0.00 3.85 -1.26 -0.10 116.55 115.15 1fkq n ASP 78 Ca 0.06 0.73 0.10 0.00 -0.71 0.00 0.00 54.79 54.97 1fkq n ASP 78 Cb 0.11 -0.78 0.42 0.00 -1.35 0.00 0.00 41.12 39.52 1fkq n ASP 78 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1fkq n LYS 79 N -2.24 0.06 -0.43 0.11 4.76 -0.62 -2.10 118.16 117.70 1fkq n LYS 79 Ca -0.01 0.23 0.11 0.00 -2.87 0.00 0.00 58.31 55.76 1fkq n LYS 79 Cb 0.09 -1.60 0.32 0.00 -1.84 0.00 0.00 35.03 32.00 1fkq n LYS 79 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1fkq n PHE 80 N -1.71 1.10 0.54 2.13 0.99 0.86 -4.18 117.46 117.19 1fkq n PHE 80 Ca 0.04 -0.50 0.07 0.00 -0.00 0.00 0.00 57.45 57.05 1fkq n PHE 80 Cb 0.24 -0.07 0.05 0.00 -1.00 0.00 0.00 39.48 38.70 1fkq n PHE 80 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1fkq n LEU 81 N 1.42 2.09 0.00 4.37 4.77 -0.89 -3.50 117.00 125.26 1fkq n LEU 81 Ca 0.24 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1fkq n LEU 81 Cb 0.68 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1fkq n LEU 81 CO 0.18 0.39 0.00 -0.90 -1.33 0.00 0.00 177.39 175.73 1fkq n ASP 82 N 0.73 0.00 -0.02 -1.43 5.68 -1.26 -4.41 116.55 115.85 1fkq n ASP 82 Ca 0.08 -0.84 0.12 0.00 -0.50 0.00 0.00 54.79 53.64 1fkq n ASP 82 Cb 0.33 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.52 1fkq n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1fkq n ASP 83 N -2.53 0.60 -4.52 -1.12 8.00 -1.26 -4.81 116.55 110.92 1fkq n ASP 83 Ca 0.00 -0.39 -0.43 0.00 0.71 0.00 0.00 54.79 54.68 1fkq n ASP 83 Cb 0.00 0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 41.36 1fkq n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fkq s ASP 84 N -2.96 6.34 0.00 -2.24 -1.08 -1.26 -4.93 116.67 110.53 1fkq s ASP 84 Ca 0.12 -0.34 0.27 0.00 -0.52 0.00 0.00 52.55 52.08 1fkq s ASP 84 Cb 0.17 -2.34 1.47 0.00 -1.46 0.00 0.00 42.92 40.76 1fkq s ASP 84 CO 0.70 -0.85 1.96 0.18 0.52 0.00 0.00 175.17 177.69 1fkq n LEU 85 N 6.43 0.34 -0.11 -1.34 4.32 -1.26 -4.33 117.00 121.04 1fkq n LEU 85 Ca -0.01 -0.12 -0.06 0.00 -0.02 0.00 0.00 56.01 55.79 1fkq n LEU 85 Cb 0.48 -0.01 0.02 0.00 -1.62 0.00 0.00 43.42 42.28 1fkq n LEU 85 CO 0.55 0.06 0.96 0.74 -1.22 0.00 0.00 177.39 178.48 1fkq h THR 86 N 0.50 0.92 -0.01 -5.08 2.02 -1.91 -0.85 112.91 108.50 1fkq h THR 86 Ca 0.00 -0.11 -0.17 0.00 0.77 0.00 0.00 66.41 66.90 1fkq h THR 86 Cb 0.11 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1fkq h THR 86 CO 0.00 0.06 -0.79 -2.24 0.37 0.00 0.00 175.52 172.92 1fkq h ASP 87 N 0.32 0.14 -0.34 4.18 3.04 -1.92 -2.70 116.42 119.14 1fkq h ASP 87 Ca 0.16 -0.10 0.03 0.00 -3.24 0.00 0.00 57.03 53.88 1fkq h ASP 87 Cb 0.12 -0.04 -0.03 0.00 -1.04 0.00 0.00 39.33 38.34 1fkq h ASP 87 CO -0.15 0.87 0.16 0.44 -2.04 0.00 0.00 179.24 178.52 1fkq h ASP 88 N 0.07 0.22 -0.83 4.15 3.32 -1.72 -1.85 116.42 119.78 1fkq h ASP 88 Ca -0.02 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1fkq h ASP 88 Cb 1.38 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.88 1fkq h ASP 88 CO 0.11 0.17 0.40 0.40 -1.72 0.00 0.00 179.24 178.60 1fkq h ILE 89 N 0.33 1.26 -0.57 0.35 2.04 -1.11 0.15 117.51 119.94 1fkq h ILE 89 Ca 0.14 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 1fkq h ILE 89 Cb 0.07 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1fkq h ILE 89 CO -0.11 0.31 0.21 0.58 0.00 0.00 0.00 178.15 179.14 1fkq h VAL 90 N 1.19 1.23 -0.39 1.67 2.07 -1.13 -1.89 116.25 118.99 1fkq h VAL 90 Ca 0.29 -0.74 -0.15 0.00 0.82 0.00 0.00 66.70 66.92 1fkq h VAL 90 Cb 0.12 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1fkq h VAL 90 CO -0.04 0.28 -0.33 0.00 0.02 0.00 0.00 177.57 177.50 1fkq h ALA 92 N 0.78 1.67 -0.50 0.00 0.00 -0.47 -1.30 119.26 119.44 1fkq h ALA 92 Ca 0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1fkq h ALA 92 Cb 0.92 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1fkq h ALA 92 CO 0.09 0.28 -0.10 0.87 0.00 0.00 0.00 179.25 180.39 1fkq h LYS 93 N 0.67 0.92 -0.66 0.00 1.57 -1.25 -1.09 116.57 116.74 1fkq h LYS 93 Ca 0.21 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1fkq h LYS 93 Cb 0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1fkq h LYS 93 CO -0.05 0.97 0.20 0.87 -0.57 0.00 0.00 179.45 180.87 1fkq h LYS 94 N 0.83 1.02 -0.07 3.15 1.57 -1.19 -0.29 116.57 121.59 1fkq h LYS 94 Ca 0.13 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1fkq h LYS 94 Cb 0.63 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1fkq h LYS 94 CO 0.04 0.87 -0.02 0.82 -0.57 0.00 0.00 179.45 180.60 1fkq h ILE 95 N 0.98 1.29 -0.73 1.86 2.04 -0.96 -1.12 117.51 120.86 1fkq h ILE 95 Ca 0.22 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.20 1fkq h ILE 95 Cb 0.28 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1fkq h ILE 95 CO -0.01 0.25 0.45 0.25 0.00 0.00 0.00 178.15 179.10 1fkq h LEU 96 N -0.20 0.71 -0.63 1.44 5.85 -1.03 0.16 115.31 121.62 1fkq h LEU 96 Ca 0.02 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1fkq h LEU 96 Cb 0.41 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1fkq h LEU 96 CO 0.01 0.48 0.32 0.44 -0.34 0.00 0.00 178.44 179.35 1fkq h ASP 97 N 0.85 0.81 0.21 1.25 3.45 -0.93 -1.85 116.42 120.21 1fkq h ASP 97 Ca 0.31 -0.11 -0.35 0.00 0.43 0.00 0.00 57.03 57.31 1fkq h ASP 97 Cb 0.09 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 1fkq h ASP 97 CO -0.14 0.69 -1.76 0.11 -1.57 0.00 0.00 179.24 176.57 1fkq h LYS 98 N 0.86 0.36 0.00 3.56 6.56 -0.77 -3.42 116.57 123.72 1fkq h LYS 98 Ca 0.22 -0.62 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 1fkq h LYS 98 Cb 0.08 0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1fkq h LYS 98 CO -0.03 1.28 -0.30 1.33 -2.06 0.00 0.00 179.45 179.67 1fkq n VAL 99 N -3.56 0.00 0.00 0.50 0.24 0.54 -5.09 118.33 110.96 1fkq n VAL 99 Ca -0.25 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1fkq n VAL 99 Cb 1.07 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 34.28 1fkq n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fkq n GLY 100 N 1.41 -0.28 0.21 7.63 0.00 -0.70 -4.50 105.19 108.97 1fkq n GLY 100 Ca 0.00 -1.82 0.15 0.00 0.00 0.00 0.00 46.02 44.35 1fkq n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fkq h ILE 101 N 0.00 0.00 0.00 -0.61 6.09 -1.90 -2.72 117.51 118.37 1fkq h ILE 101 Ca 0.00 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1fkq h ILE 101 Cb 0.00 0.76 0.00 0.00 0.47 0.00 0.00 36.82 38.05 1fkq h ILE 101 CO 0.00 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.67 1fkq n ASN 102 N -2.53 0.00 -0.22 2.19 3.02 -1.26 -1.35 115.26 115.11 1fkq n ASN 102 Ca -0.01 0.08 -0.09 0.00 -0.03 0.00 0.00 54.58 54.53 1fkq n ASN 102 Cb 0.09 -0.29 0.03 0.00 -0.61 0.00 0.00 39.78 39.00 1fkq n ASN 102 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1fkq h TYR 103 N 0.00 1.12 0.01 3.10 3.20 -1.75 -3.33 116.97 119.32 1fkq h TYR 103 Ca 0.00 -0.17 -0.38 0.00 3.14 0.00 0.00 58.73 61.32 1fkq h TYR 103 Cb 0.15 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 1fkq h TYR 103 CO 0.00 0.97 -2.37 0.91 -1.64 0.00 0.00 178.16 176.04 1fkq n TRP 104 N -4.24 0.17 -4.43 -3.82 8.01 -0.84 -4.97 117.44 107.31 1fkq n TRP 104 Ca 0.03 0.04 -0.34 0.00 -1.31 0.00 0.00 57.50 55.93 1fkq n TRP 104 Cb 0.31 -1.02 -0.13 0.00 -2.01 0.00 0.00 31.31 28.46 1fkq n TRP 104 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1fkq s LEU 105 N -6.21 3.12 0.32 -0.99 1.43 -0.46 -4.86 118.68 111.04 1fkq s LEU 105 Ca -0.24 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1fkq s LEU 105 Cb 0.08 -1.75 0.55 0.00 0.03 0.00 0.00 46.19 45.10 1fkq s LEU 105 CO 0.70 0.15 1.91 0.00 0.23 0.00 0.00 176.35 179.35 1fkq h ALA 106 N 6.82 1.39 -2.88 4.21 0.00 -1.88 -3.37 119.26 123.55 1fkq h ALA 106 Ca -0.31 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 1fkq h ALA 106 Cb 1.19 -0.21 -0.30 0.00 0.00 0.00 0.00 17.79 18.48 1fkq h ALA 106 CO 0.61 0.46 -0.46 -1.01 0.00 0.00 0.00 179.25 178.85 1fkq s HIS 107 N -5.32 -0.44 0.62 0.00 3.76 -1.26 -5.03 115.29 107.61 1fkq s HIS 107 Ca -0.09 0.98 0.34 0.00 -0.15 0.00 0.00 55.06 56.13 1fkq s HIS 107 Cb 0.16 0.08 1.95 0.00 1.11 0.00 0.00 32.58 35.88 1fkq s HIS 107 CO 0.78 -0.30 2.24 1.57 -0.85 0.00 0.00 174.74 178.17 1fkq h LYS 108 N 7.57 0.00 -0.09 1.40 2.10 -1.94 -1.34 116.57 124.28 1fkq h LYS 108 Ca -0.31 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.37 1fkq h LYS 108 Cb 1.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1fkq h LYS 108 CO 0.27 0.00 0.10 0.00 -2.00 0.00 0.00 179.45 177.82 1fkq h ALA 109 N 1.92 1.67 -0.98 0.07 0.00 -1.96 0.16 119.26 120.13 1fkq h ALA 109 Ca 0.02 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.08 1fkq h ALA 109 Cb 0.13 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1fkq h ALA 109 CO -0.00 -0.15 0.61 -0.07 0.00 0.00 0.00 179.25 179.65 1fkq h LEU 110 N 0.00 0.79 -0.63 0.00 3.38 -1.65 -3.17 115.31 114.03 1fkq h LEU 110 Ca 0.04 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1fkq h LEU 110 Cb 0.24 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1fkq h LEU 110 CO -0.00 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.89 1fkq n SER 112 N -0.18 3.97 -4.11 0.00 3.41 0.44 -4.63 113.62 112.52 1fkq n SER 112 Ca 0.00 -2.56 -0.11 0.00 -0.26 0.00 0.00 58.87 55.94 1fkq n SER 112 Cb 0.04 -0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 63.28 1fkq n SER 112 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1fkq s GLU 113 N -2.09 0.67 -1.44 4.33 8.01 -1.25 -4.88 118.70 122.06 1fkq s GLU 113 Ca 0.35 -1.06 -0.04 0.00 0.01 0.00 0.00 54.97 54.23 1fkq s GLU 113 Cb 0.26 -0.20 0.00 0.00 -4.31 0.00 0.00 34.13 29.89 1fkq s GLU 113 CO 0.11 0.00 0.28 1.63 0.01 0.00 0.00 175.26 177.30 1fkq n LYS 114 N 0.65 -1.94 0.22 1.61 5.02 -1.26 -4.86 118.16 117.60 1fkq n LYS 114 Ca -0.17 0.25 0.07 0.00 -2.02 0.00 0.00 58.31 56.44 1fkq n LYS 114 Cb 0.58 -3.94 0.53 0.00 -0.02 0.00 0.00 35.03 32.18 1fkq n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1fkq h LEU 115 N -1.89 0.00 -2.63 -0.35 3.38 -1.89 -3.22 115.31 108.70 1fkq h LEU 115 Ca -0.65 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.32 1fkq h LEU 115 Cb 1.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1fkq h LEU 115 CO 0.64 0.22 0.11 -0.78 0.09 0.00 0.00 178.44 178.72 1fkq h ASP 116 N 0.00 0.00 0.92 -0.43 3.58 -1.98 -0.23 116.42 118.27 1fkq h ASP 116 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1fkq h ASP 116 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1fkq h ASP 116 CO 0.03 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.39 1fkq n GLN 117 N -3.14 0.07 -0.08 0.28 10.64 -1.22 -3.02 117.38 120.90 1fkq n GLN 117 Ca -0.02 0.16 0.12 0.00 -1.83 0.00 0.00 57.00 55.42 1fkq n GLN 117 Cb 0.18 -1.60 0.21 0.00 -0.86 0.00 0.00 30.24 28.17 1fkq n GLN 117 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1fkq n TRP 118 N -1.72 0.21 -3.18 2.61 7.02 -0.10 -4.92 117.44 117.36 1fkq n TRP 118 Ca 0.05 -0.11 -0.39 0.00 -1.02 0.00 0.00 57.50 56.04 1fkq n TRP 118 Cb 0.30 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.13 1fkq n TRP 118 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1fkq s LEU 119 N -1.76 4.38 -0.23 -0.99 1.02 -1.17 -4.79 118.68 115.15 1fkq s LEU 119 Ca 0.34 1.13 -0.29 0.00 0.02 0.00 0.00 54.13 55.32 1fkq s LEU 119 Cb 0.21 -2.93 -0.02 0.00 0.02 0.00 0.00 46.19 43.47 1fkq s LEU 119 CO 0.31 0.05 1.52 0.00 0.02 0.00 0.00 176.35 178.24 1fkq h GLU 121 N 10.18 0.28 -0.81 0.00 3.07 -1.96 -2.99 114.58 122.34 1fkq h GLU 121 Ca -0.32 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1fkq h GLU 121 Cb 1.14 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1fkq h GLU 121 CO 1.01 0.43 0.00 1.63 -1.40 0.00 0.00 179.01 180.68 1fkq n LYS 122 N -4.24 1.83 0.00 2.33 4.76 -1.26 -5.26 118.16 116.32 1fkq n LYS 122 Ca -0.00 -0.71 0.04 0.00 -2.87 0.00 0.00 58.31 54.77 1fkq n LYS 122 Cb 0.29 -1.61 0.03 0.00 -1.84 0.00 0.00 35.03 31.90 1fkq n LYS 122 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31