#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqs h LEU 2 N 0.00 0.00 -0.60 -4.53 3.38 -1.74 -0.07 115.31 111.75 1oqs h LEU 2 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1oqs h LEU 2 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1oqs h LEU 2 CO 0.00 0.30 0.36 -0.26 0.09 0.00 0.00 178.44 178.94 1oqs h PHE 3 N 0.00 0.68 -0.20 1.13 0.04 -1.98 0.21 116.94 116.82 1oqs h PHE 3 Ca -0.00 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 1oqs h PHE 3 Cb 0.58 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 1oqs h PHE 3 CO 0.00 0.39 -0.34 1.96 -0.60 0.00 0.00 178.31 179.72 1oqs h GLN 4 N 0.72 0.58 -0.81 1.51 4.20 -1.51 -0.13 115.11 119.67 1oqs h GLN 4 Ca 0.24 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.62 1oqs h GLN 4 Cb 0.02 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 1oqs h GLN 4 CO -0.10 0.97 0.52 0.35 -0.67 0.00 0.00 178.83 179.90 1oqs h PHE 5 N 0.25 0.99 -0.61 2.96 3.57 -1.07 -1.64 116.94 121.39 1oqs h PHE 5 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1oqs h PHE 5 Cb 0.93 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1oqs h PHE 5 CO 0.09 0.59 0.38 0.78 -2.23 0.00 0.00 178.31 177.92 1oqs h GLY 6 N 1.04 0.86 1.25 2.40 0.00 0.06 -0.85 103.07 107.84 1oqs h GLY 6 Ca 0.31 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1oqs h GLY 6 CO -0.09 0.33 0.04 0.83 0.00 0.00 0.00 176.54 177.65 1oqs h GLU 7 N 0.83 0.92 -0.28 4.80 5.08 -0.58 -1.72 114.58 123.62 1oqs h GLU 7 Ca 0.22 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1oqs h GLU 7 Cb -0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1oqs h GLU 7 CO -0.04 0.88 -0.33 0.52 -1.00 0.00 0.00 179.01 179.03 1oqs h MET 8 N 0.86 0.61 -0.14 2.33 2.86 -0.43 -1.93 114.93 119.07 1oqs h MET 8 Ca 0.17 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1oqs h MET 8 Cb 0.45 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1oqs h MET 8 CO 0.02 0.86 -0.14 0.82 1.06 0.00 0.00 176.91 179.53 1oqs h ILE 9 N 0.52 1.35 -0.39 -1.22 2.04 -0.93 0.11 117.51 118.98 1oqs h ILE 9 Ca 0.06 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 64.64 1oqs h ILE 9 Cb 0.83 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1oqs h ILE 9 CO 0.07 0.38 0.23 0.25 0.00 0.00 0.00 178.15 179.08 1oqs h LEU 10 N -0.02 0.38 -0.18 1.44 5.85 -1.23 0.28 115.31 121.83 1oqs h LEU 10 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1oqs h LEU 10 Cb 0.67 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1oqs h LEU 10 CO 0.04 0.27 0.11 -0.61 -0.34 0.00 0.00 178.44 177.91 1oqs h GLN 11 N 0.47 0.24 0.00 1.25 5.75 -1.24 0.11 115.11 121.69 1oqs h GLN 11 Ca 0.16 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 1oqs h GLN 11 Cb 0.00 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.50 1oqs h GLN 11 CO -0.07 0.19 -0.28 0.87 -2.65 0.00 0.00 178.83 176.89 1oqs h LYS 12 N 0.22 0.00 0.00 1.69 1.79 -0.47 -3.39 116.57 116.42 1oqs h LYS 12 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1oqs h LYS 12 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1oqs h LYS 12 CO -0.01 0.12 -0.35 0.25 -1.08 0.00 0.00 179.45 178.38 1oqs n THR 13 N -3.07 0.00 -0.92 -0.16 -2.24 0.97 -4.39 114.28 104.47 1oqs n THR 13 Ca 0.03 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1oqs n THR 13 Cb 0.59 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1oqs n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oqs n GLY 14 N 1.49 0.88 3.48 3.38 0.00 0.37 -5.01 105.19 109.79 1oqs n GLY 14 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1oqs n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oqs s LYS 16 N -0.08 2.33 -0.22 1.61 1.02 -1.26 -5.01 119.74 118.14 1oqs s LYS 16 Ca 0.00 -0.82 -0.23 0.00 0.02 0.00 0.00 55.97 54.94 1oqs s LYS 16 Cb 0.00 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 1oqs s LYS 16 CO 0.00 0.59 0.75 -1.21 -0.92 0.00 0.00 175.35 174.55 1oqs s GLU 17 N -1.12 4.20 0.22 1.68 2.02 -1.26 -3.73 118.70 120.71 1oqs s GLU 17 Ca 0.14 0.81 -0.08 0.00 0.02 0.00 0.00 54.97 55.85 1oqs s GLU 17 Cb -0.11 -3.61 0.30 0.00 0.10 0.00 0.00 34.13 30.81 1oqs s GLU 17 CO 0.04 -0.39 1.78 -0.24 0.02 0.00 0.00 175.26 176.46 1oqs h VAL 18 N 5.32 0.85 0.00 2.63 3.04 -1.95 -2.44 116.25 123.70 1oqs h VAL 18 Ca -0.27 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1oqs h VAL 18 Cb 1.12 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1oqs h VAL 18 CO 0.82 0.10 0.00 -0.37 -1.01 0.00 0.00 177.57 177.12 1oqs h VAL 19 N 0.57 0.00 -0.02 1.51 -1.51 -1.97 -0.50 116.25 114.32 1oqs h VAL 19 Ca 0.33 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.69 1oqs h VAL 19 Cb 0.33 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1oqs h VAL 19 CO -0.26 0.00 -0.09 1.41 -1.23 0.00 0.00 177.57 177.40 1oqs n HIS 20 N -2.80 0.00 0.00 5.19 8.25 -0.93 -4.77 115.22 120.16 1oqs n HIS 20 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1oqs n HIS 20 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1oqs n HIS 20 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1oqs n SER 21 N 0.61 0.00 -0.04 0.41 3.41 -0.45 -4.90 113.62 112.65 1oqs n SER 21 Ca 0.09 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.80 1oqs n SER 21 Cb 0.38 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.83 1oqs n SER 21 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1oqs h TYR 22 N 0.00 0.41 0.00 7.33 0.05 -1.78 -0.41 116.97 122.57 1oqs h TYR 22 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1oqs h TYR 22 Cb 0.00 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.61 1oqs h TYR 22 CO 0.00 0.21 0.00 0.00 -1.05 0.00 0.00 178.16 177.32 1oqs h ALA 23 N 1.72 1.00 -0.08 3.88 0.00 -1.38 0.60 119.26 125.00 1oqs h ALA 23 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1oqs h ALA 23 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1oqs h ALA 23 CO -0.06 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.63 1oqs n ILE 24 N -2.97 1.83 -3.89 0.00 -5.35 -0.17 -4.13 119.36 104.67 1oqs n ILE 24 Ca -0.02 -1.95 -0.35 0.00 -0.27 0.00 0.00 62.75 60.16 1oqs n ILE 24 Cb 0.09 -0.11 -0.06 0.00 -1.74 0.00 0.00 39.64 37.82 1oqs n ILE 24 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1oqs s TYR 25 N -2.53 3.58 0.00 4.28 6.14 0.20 -0.11 117.35 128.91 1oqs s TYR 25 Ca 0.30 0.46 0.00 0.00 0.64 0.00 0.00 57.07 58.47 1oqs s TYR 25 Cb 0.25 -1.89 0.00 0.00 0.42 0.00 0.00 41.96 40.74 1oqs s TYR 25 CO 0.05 0.70 0.00 0.41 0.64 0.00 0.00 175.55 177.35 1oqs n GLY 26 N 1.55 0.65 0.01 8.97 0.00 0.06 -1.94 105.19 114.49 1oqs n GLY 26 Ca -0.16 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.13 1oqs n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oqs n TYR 28 N -1.30 0.00 0.02 0.00 4.01 -1.26 -0.84 117.16 117.79 1oqs n TYR 28 Ca 0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.71 1oqs n TYR 28 Cb 0.22 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.38 1oqs n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1oqs n GLY 30 N -0.02 1.73 3.46 0.00 0.00 -0.82 -4.51 105.19 105.03 1oqs n GLY 30 Ca -0.02 -1.74 -0.44 0.00 0.00 0.00 0.00 46.02 43.83 1oqs n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1oqs n TRP 31 N 0.00 4.88 0.00 1.61 7.02 -1.26 -4.70 117.44 124.99 1oqs n TRP 31 Ca 0.00 -3.28 0.00 0.00 -1.02 0.00 0.00 57.50 53.20 1oqs n TRP 31 Cb 0.00 -2.25 0.00 0.00 -2.42 0.00 0.00 31.31 26.64 1oqs n TRP 31 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1oqs n GLY 32 N 4.23 3.75 0.39 6.99 0.00 -1.26 -4.95 105.19 114.34 1oqs n GLY 32 Ca 0.39 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1oqs n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oqs n GLY 33 N 0.90 0.89 3.47 -0.02 0.00 -0.02 -4.98 105.19 105.43 1oqs n GLY 33 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1oqs n GLY 33 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1oqs s GLN 34 N -0.53 1.31 0.95 1.61 -2.07 -1.25 -4.97 119.66 114.70 1oqs s GLN 34 Ca 0.00 -0.74 0.00 0.00 -1.82 0.00 0.00 55.36 52.80 1oqs s GLN 34 Cb 0.00 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.45 1oqs s GLN 34 CO 0.00 -0.55 0.00 0.41 -1.32 0.00 0.00 175.29 173.83 1oqs n GLY 35 N -0.33 -1.98 3.82 2.60 0.00 -1.18 -4.75 105.19 103.38 1oqs n GLY 35 Ca -0.13 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 1oqs n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oqs s ARG 36 N 0.00 4.16 0.15 1.61 3.52 -1.18 -2.87 118.95 124.34 1oqs s ARG 36 Ca 0.00 0.71 -0.31 0.00 -0.13 0.00 0.00 55.73 56.00 1oqs s ARG 36 Cb 0.00 -3.04 -0.11 0.00 -1.56 0.00 0.00 34.95 30.24 1oqs s ARG 36 CO 0.00 0.51 1.80 0.00 -0.81 0.00 0.00 175.30 176.81 1oqs s ALA 37 N -1.35 3.82 -0.12 6.12 0.00 -1.26 -4.64 121.76 124.33 1oqs s ALA 37 Ca 0.36 1.50 0.22 0.00 0.00 0.00 0.00 51.96 54.04 1oqs s ALA 37 Cb -0.17 -3.74 0.54 0.00 0.00 0.00 0.00 23.12 19.74 1oqs s ALA 37 CO 0.20 -1.13 1.66 1.96 0.00 0.00 0.00 175.76 178.45 1oqs h GLN 38 N 8.04 0.00 0.00 0.00 1.08 -1.95 -3.47 115.11 118.82 1oqs h GLN 38 Ca -0.45 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 56.87 1oqs h GLN 38 Cb 1.21 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.62 1oqs h GLN 38 CO 0.95 0.22 0.37 -0.40 -0.95 0.00 0.00 178.83 179.03 1oqs n ASP 39 N -3.23 -0.82 -0.27 1.46 5.75 -1.26 -5.01 116.55 113.16 1oqs n ASP 39 Ca 0.02 -1.36 -0.05 0.00 -0.01 0.00 0.00 54.79 53.39 1oqs n ASP 39 Cb 0.54 1.32 0.06 0.00 -1.03 0.00 0.00 41.12 42.01 1oqs n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1oqs h ALA 40 N 2.00 0.96 -0.04 2.12 0.00 -1.93 0.20 119.26 122.57 1oqs h ALA 40 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1oqs h ALA 40 Cb 0.63 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1oqs h ALA 40 CO 0.18 0.38 0.02 1.15 0.00 0.00 0.00 179.25 180.98 1oqs h THR 41 N 1.03 0.99 -0.62 0.00 2.02 -1.91 -0.21 112.91 114.21 1oqs h THR 41 Ca 0.28 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1oqs h THR 41 Cb -0.12 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1oqs h THR 41 CO -0.06 0.01 0.40 -0.78 0.37 0.00 0.00 175.52 175.45 1oqs h ASP 42 N 0.04 0.72 -0.42 4.18 3.58 -1.87 -1.64 116.42 121.01 1oqs h ASP 42 Ca 0.02 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 1oqs h ASP 42 Cb 0.01 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1oqs h ASP 42 CO -0.02 0.54 0.14 -0.09 -2.88 0.00 0.00 179.24 176.93 1oqs h ARG 43 N 0.83 0.72 -0.87 0.28 2.43 -0.26 -2.03 114.38 115.48 1oqs h ARG 43 Ca 0.22 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1oqs h ARG 43 Cb -0.07 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.30 1oqs h ARG 43 CO -0.05 0.63 0.54 0.00 -1.51 0.00 0.00 179.97 179.59 1oqs h PHE 46 N 0.65 0.84 -0.84 0.00 3.57 -0.93 0.90 116.94 121.14 1oqs h PHE 46 Ca 0.10 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.65 1oqs h PHE 46 Cb 0.71 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.12 1oqs h PHE 46 CO 0.05 0.63 0.49 0.28 -2.23 0.00 0.00 178.31 177.53 1oqs h VAL 47 N 0.80 0.93 -0.18 1.41 2.07 -0.80 -1.00 116.25 119.49 1oqs h VAL 47 Ca 0.21 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1oqs h VAL 47 Cb 0.09 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1oqs h VAL 47 CO -0.03 0.15 -0.31 -0.74 0.02 0.00 0.00 177.57 176.67 1oqs h HIS 48 N 0.84 0.40 -0.40 1.57 -0.00 0.04 0.63 115.15 118.23 1oqs h HIS 48 Ca 0.40 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.68 1oqs h HIS 48 Cb 0.34 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 1oqs h HIS 48 CO -0.05 0.63 0.26 -0.44 -0.00 0.00 0.00 177.93 178.33 1oqs h ASP 49 N 0.31 0.46 -0.52 3.26 3.32 0.38 0.41 116.42 124.04 1oqs h ASP 49 Ca 0.04 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1oqs h ASP 49 Cb 0.70 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1oqs h ASP 49 CO 0.05 0.33 0.04 0.00 -1.72 0.00 0.00 179.24 177.94 1oqs h TYR 52 N -0.42 0.72 -0.76 0.00 -1.99 -0.64 0.14 116.97 114.01 1oqs h TYR 52 Ca 0.06 0.02 0.19 0.00 2.00 0.00 0.00 58.73 61.00 1oqs h TYR 52 Cb 0.50 -0.22 -0.04 0.00 2.00 0.00 0.00 36.73 38.97 1oqs h TYR 52 CO -0.30 0.17 0.53 0.78 -0.00 0.00 0.00 178.16 179.34 1oqs h GLY 53 N 0.52 0.37 1.06 3.88 0.00 0.12 0.05 103.07 109.08 1oqs h GLY 53 Ca 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1oqs h GLY 53 CO -0.25 0.01 0.00 -1.30 0.00 0.00 0.00 176.54 175.01 1oqs n THR 54 N -4.41 0.00 -3.41 4.70 -2.24 0.49 -4.74 114.28 104.68 1oqs n THR 54 Ca 0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 1oqs n THR 54 Cb 0.70 -0.50 -0.09 0.00 -2.10 0.00 0.00 70.33 68.33 1oqs n THR 54 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1oqs s VAL 55 N -2.06 5.19 -0.23 2.28 1.01 0.00 -4.94 120.40 121.65 1oqs s VAL 55 Ca 0.46 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1oqs s VAL 55 Cb 0.22 -3.93 -0.19 0.00 0.00 0.00 0.00 36.38 32.48 1oqs s VAL 55 CO 0.38 -0.29 -0.12 0.59 0.00 0.00 0.00 175.10 175.66 1oqs n ASN 56 N 5.35 1.43 -0.78 3.32 3.02 -1.26 -4.73 115.26 121.61 1oqs n ASN 56 Ca -0.10 -0.09 0.12 0.00 -0.03 0.00 0.00 54.58 54.49 1oqs n ASN 56 Cb 0.48 0.09 0.31 0.00 -0.61 0.00 0.00 39.78 40.05 1oqs n ASN 56 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1oqs n ASP 58 N -3.04 2.37 -3.89 6.41 8.00 -1.26 -4.90 116.55 120.23 1oqs n ASP 58 Ca -0.39 -1.80 -0.09 0.00 0.71 0.00 0.00 54.79 53.21 1oqs n ASP 58 Cb 1.02 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.96 1oqs n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oqs s ASN 61 N -2.93 6.30 0.54 0.00 3.84 -1.26 -4.96 114.94 116.47 1oqs s ASN 61 Ca 0.13 -0.37 0.25 0.00 0.21 0.00 0.00 52.86 53.09 1oqs s ASN 61 Cb 0.03 -2.29 1.53 0.00 -0.55 0.00 0.00 41.25 39.96 1oqs s ASN 61 CO -0.03 -0.69 2.15 -0.65 -2.79 0.00 0.00 177.10 175.10 1oqs h PRO 68 N 8.78 0.00 -0.21 0.43 0.11 -1.93 0.12 132.00 139.30 1oqs h PRO 68 Ca -0.26 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.77 1oqs h PRO 68 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1oqs h PRO 68 CO 0.85 0.06 -0.21 -0.22 -0.21 0.00 0.00 178.00 178.28 1oqs h LYS 69 N 0.00 0.38 -0.00 1.05 3.11 -1.96 -3.36 116.57 115.78 1oqs h LYS 69 Ca -0.00 -0.12 0.00 0.00 -2.81 0.00 0.00 60.65 57.72 1oqs h LYS 69 Cb 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.33 1oqs h LYS 69 CO 0.01 0.57 -0.04 0.25 -2.81 0.00 0.00 179.45 177.43 1oqs n THR 70 N -4.17 0.00 -1.93 1.00 -2.24 -0.79 -2.61 114.28 103.54 1oqs n THR 70 Ca -0.00 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 1oqs n THR 70 Cb 0.36 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 1oqs n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oqs s ALA 71 N -0.92 3.63 -0.38 6.98 0.00 0.36 -4.67 121.76 126.75 1oqs s ALA 71 Ca 0.01 1.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 1oqs s ALA 71 Cb 0.01 -3.75 0.01 0.00 0.00 0.00 0.00 23.12 19.39 1oqs s ALA 71 CO 0.04 -1.34 0.48 0.99 0.00 0.00 0.00 175.76 175.92 1oqs s THR 72 N 3.72 5.04 0.00 0.00 2.01 -1.26 0.67 115.64 125.82 1oqs s THR 72 Ca 0.76 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.78 1oqs s THR 72 Cb -0.37 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.15 1oqs s THR 72 CO 0.32 -0.32 0.00 0.00 -0.69 0.00 0.00 174.62 173.94 1oqs n TYR 73 N 5.70 -2.54 -4.60 4.92 0.18 -1.26 -4.92 117.16 114.63 1oqs n TYR 73 Ca -0.06 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.41 1oqs n TYR 73 Cb 0.48 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.28 1oqs n TYR 73 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1oqs s SER 74 N -0.99 2.92 0.22 9.48 0.01 -1.26 -4.98 113.70 119.09 1oqs s SER 74 Ca 0.00 -0.55 -0.13 0.00 1.31 0.00 0.00 55.95 56.57 1oqs s SER 74 Cb 0.00 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.89 1oqs s SER 74 CO 0.00 0.06 0.45 -0.72 0.41 0.00 0.00 173.24 173.44 1oqs s TYR 75 N 0.87 0.24 0.22 2.43 1.13 -1.26 -1.19 117.35 119.80 1oqs s TYR 75 Ca -0.07 -0.60 -0.13 0.00 -1.41 0.00 0.00 57.07 54.86 1oqs s TYR 75 Cb -0.15 0.19 -0.00 0.00 -1.10 0.00 0.00 41.96 40.90 1oqs s TYR 75 CO -0.02 -0.92 0.44 -1.54 -2.51 0.00 0.00 175.55 171.00 1oqs s SER 76 N -2.97 -0.09 -0.12 -0.18 1.04 -0.69 -4.96 113.70 105.74 1oqs s SER 76 Ca 0.18 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 1oqs s SER 76 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1oqs s SER 76 CO 0.04 -1.07 0.17 -0.36 0.98 0.00 0.00 173.24 173.00 1oqs s PHE 77 N -3.99 3.58 -0.16 5.02 0.08 -1.26 0.10 117.98 121.35 1oqs s PHE 77 Ca 0.20 0.55 -0.04 0.00 0.12 0.00 0.00 56.93 57.75 1oqs s PHE 77 Cb 0.00 -2.01 0.08 0.00 -0.57 0.00 0.00 43.02 40.52 1oqs s PHE 77 CO 0.05 0.66 0.20 -1.21 -0.10 0.00 0.00 175.22 174.82 1oqs s GLU 78 N -0.80 0.14 -1.43 0.44 0.41 0.45 -4.85 118.70 113.06 1oqs s GLU 78 Ca 0.15 0.33 -0.07 0.00 -0.41 0.00 0.00 54.97 54.97 1oqs s GLU 78 Cb -0.12 -0.90 0.04 0.00 -1.78 0.00 0.00 34.13 31.37 1oqs s GLU 78 CO 0.04 -0.53 0.60 0.09 -0.49 0.00 0.00 175.26 174.97 1oqs n ASN 79 N 5.32 -5.01 0.00 -0.19 3.02 -1.26 -0.89 115.26 116.25 1oqs n ASN 79 Ca -0.05 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1oqs n ASN 79 Cb 0.50 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 1oqs n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oqs n GLY 80 N -1.40 3.31 3.92 7.41 0.00 -1.26 -5.01 105.19 112.16 1oqs n GLY 80 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1oqs n GLY 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1oqs s ASP 81 N -1.02 5.86 -0.17 1.61 3.68 -0.07 -5.06 116.67 121.50 1oqs s ASP 81 Ca 0.00 0.77 -0.03 0.00 2.13 0.00 0.00 52.55 55.42 1oqs s ASP 81 Cb 0.00 -1.90 -0.02 0.00 -1.45 0.00 0.00 42.92 39.55 1oqs s ASP 81 CO 0.00 -0.86 -0.06 -0.63 0.13 0.00 0.00 175.17 173.75 1oqs s ILE 82 N -2.87 3.57 -0.27 4.11 1.01 -1.26 -0.41 121.20 125.07 1oqs s ILE 82 Ca 0.51 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 1oqs s ILE 82 Cb -0.10 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.81 1oqs s ILE 82 CO 0.45 0.47 0.00 -0.69 0.00 0.00 0.00 174.94 175.17 1oqs s VAL 83 N 0.72 3.42 -0.29 2.92 1.01 0.11 -4.96 120.40 123.34 1oqs s VAL 83 Ca -0.03 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 1oqs s VAL 83 Cb -0.15 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1oqs s VAL 83 CO 0.02 0.17 0.86 0.00 0.00 0.00 0.00 175.10 176.15 1oqs n GLY 85 N 3.97 0.54 3.86 0.00 0.00 -0.33 -5.00 105.19 108.23 1oqs n GLY 85 Ca 0.06 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1oqs n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oqs s ASP 86 N -2.20 6.05 -0.07 1.61 1.01 -1.26 -5.00 116.67 116.82 1oqs s ASP 86 Ca 0.25 1.48 -0.07 0.00 0.71 0.00 0.00 52.55 54.92 1oqs s ASP 86 Cb 0.19 -2.48 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 1oqs s ASP 86 CO 0.41 -0.99 -0.13 0.59 0.21 0.00 0.00 175.17 175.26 1oqs n ASN 88 N -2.74 0.79 -3.16 0.27 3.02 -1.26 -4.77 115.26 107.41 1oqs n ASN 88 Ca 0.06 0.13 -0.45 0.00 -0.03 0.00 0.00 54.58 54.30 1oqs n ASN 88 Cb 0.54 -0.56 -0.09 0.00 -0.61 0.00 0.00 39.78 39.06 1oqs n ASN 88 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1oqs n ASP 89 N -3.29 0.59 -0.34 6.41 -0.08 -1.26 -4.67 116.55 113.91 1oqs n ASP 89 Ca -0.05 0.54 0.33 0.00 -1.51 0.00 0.00 54.79 54.10 1oqs n ASP 89 Cb 0.20 -0.66 0.70 0.00 2.34 0.00 0.00 41.12 43.70 1oqs n ASP 89 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 1oqs h LEU 90 N 6.25 0.11 0.21 -2.67 -0.00 -1.99 -1.87 115.31 115.35 1oqs h LEU 90 Ca -0.10 0.02 -0.29 0.00 -0.00 0.00 0.00 57.88 57.51 1oqs h LEU 90 Cb 1.04 0.01 0.03 0.00 -0.00 0.00 0.00 40.66 41.74 1oqs h LEU 90 CO 0.79 0.01 -1.27 0.00 -0.00 0.00 0.00 178.44 177.96 1oqs h LEU 92 N 0.04 1.03 -0.72 0.00 3.38 -1.71 -1.17 115.31 116.15 1oqs h LEU 92 Ca -0.22 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 1oqs h LEU 92 Cb 2.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 1oqs h LEU 92 CO 0.24 0.68 -0.61 -0.09 0.09 0.00 0.00 178.44 178.75 1oqs h ARG 93 N 1.18 0.00 -0.04 1.13 9.65 -1.35 -2.17 114.38 122.79 1oqs h ARG 93 Ca 0.40 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 59.04 1oqs h ARG 93 Cb 0.07 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.66 1oqs h ARG 93 CO -0.14 0.61 -0.95 1.15 2.80 0.00 0.00 179.97 183.44 1oqs h THR 94 N 0.00 1.31 0.09 0.20 2.02 -0.11 -1.66 112.91 114.75 1oqs h THR 94 Ca -0.01 -2.23 -0.00 0.00 0.77 0.00 0.00 66.41 64.94 1oqs h THR 94 Cb 1.12 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1oqs h THR 94 CO 0.08 0.69 -0.04 0.58 0.37 0.00 0.00 175.52 177.20 1oqs h VAL 95 N 0.38 0.97 -0.60 3.16 2.07 -1.08 -1.21 116.25 119.94 1oqs h VAL 95 Ca -0.10 -0.20 0.12 0.00 0.82 0.00 0.00 66.70 67.35 1oqs h VAL 95 Cb 1.59 1.10 -0.10 0.00 -1.52 0.00 0.00 31.29 32.36 1oqs h VAL 95 CO 0.18 0.05 0.04 0.00 0.02 0.00 0.00 177.57 177.86 1oqs h GLU 97 N 0.15 0.89 -0.52 0.00 4.39 -1.17 0.19 114.58 118.51 1oqs h GLU 97 Ca 0.32 -0.18 0.09 0.00 0.34 0.00 0.00 59.36 59.93 1oqs h GLU 97 Cb 0.50 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 28.95 1oqs h GLU 97 CO -0.48 0.79 0.12 0.00 -1.16 0.00 0.00 179.01 178.27 1oqs h ASP 99 N 0.26 0.63 0.44 0.00 3.32 -0.91 -2.00 116.42 118.16 1oqs h ASP 99 Ca 0.26 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1oqs h ASP 99 Cb 0.35 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1oqs h ASP 99 CO -0.33 0.96 -0.39 -0.09 -1.72 0.00 0.00 179.24 177.67 1oqs h ARG 100 N 0.31 -0.80 -1.00 3.56 2.43 -0.63 -0.27 114.38 117.97 1oqs h ARG 100 Ca 0.04 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.37 1oqs h ARG 100 Cb 0.77 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 30.42 1oqs h ARG 100 CO 0.06 -0.54 0.63 0.00 -1.51 0.00 0.00 179.97 178.61 1oqs h ALA 101 N -0.46 1.46 -0.24 2.80 0.00 -1.27 0.16 119.26 121.71 1oqs h ALA 101 Ca -0.04 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1oqs h ALA 101 Cb 0.73 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1oqs h ALA 101 CO -0.03 0.29 -0.47 0.00 0.00 0.00 0.00 179.25 179.03 1oqs h ALA 102 N 1.51 0.72 -0.19 0.00 0.00 -1.05 -0.28 119.26 119.97 1oqs h ALA 102 Ca 0.47 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1oqs h ALA 102 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1oqs h ALA 102 CO -0.24 0.67 -0.31 0.00 0.00 0.00 0.00 179.25 179.38 1oqs h ALA 103 N 0.98 1.11 -0.29 0.00 0.00 -0.64 0.37 119.26 120.78 1oqs h ALA 103 Ca 0.03 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 1oqs h ALA 103 Cb 1.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1oqs h ALA 103 CO 0.09 0.56 -0.50 0.82 0.00 0.00 0.00 179.25 180.22 1oqs h ILE 104 N 0.34 1.28 -0.43 0.00 2.04 -0.50 -1.13 117.51 119.11 1oqs h ILE 104 Ca 0.04 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.19 1oqs h ILE 104 Cb 0.71 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1oqs h ILE 104 CO 0.05 0.55 0.16 0.00 0.00 0.00 0.00 178.15 178.91 1oqs h LEU 106 N 0.56 0.30 -1.21 0.00 3.38 -0.10 -2.12 115.31 116.11 1oqs h LEU 106 Ca 0.14 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1oqs h LEU 106 Cb 0.22 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1oqs h LEU 106 CO -0.01 0.21 0.47 1.23 0.09 0.00 0.00 178.44 180.43 1oqs h GLY 107 N 0.44 1.07 2.00 0.83 0.00 -0.89 -0.91 103.07 105.62 1oqs h GLY 107 Ca 0.23 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1oqs h GLY 107 CO -0.19 0.41 0.00 1.46 0.00 0.00 0.00 176.54 178.22 1oqs h GLN 108 N 1.03 0.00 0.00 4.80 4.20 -0.66 -3.18 115.11 121.30 1oqs h GLN 108 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1oqs h GLN 108 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1oqs h GLN 108 CO -0.05 0.00 -0.02 0.09 -0.67 0.00 0.00 178.83 178.18 1oqs n ASN 109 N -2.46 1.74 0.25 1.46 3.02 -0.73 -4.67 115.26 113.86 1oqs n ASN 109 Ca 0.01 -2.05 0.12 0.00 -0.03 0.00 0.00 54.58 52.62 1oqs n ASN 109 Cb 0.20 -0.08 0.66 0.00 -0.61 0.00 0.00 39.78 39.95 1oqs n ASN 109 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1oqs h VAL 110 N 0.61 0.61 0.00 2.41 -1.51 -1.18 -2.21 116.25 114.98 1oqs h VAL 110 Ca 0.00 -0.67 -0.00 0.00 -1.23 0.00 0.00 66.70 64.80 1oqs h VAL 110 Cb 0.68 1.43 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1oqs h VAL 110 CO 0.00 0.15 -0.02 -0.55 -1.23 0.00 0.00 177.57 175.91 1oqs h ASN 111 N 0.00 0.00 -0.40 4.19 -1.07 -1.83 0.17 115.58 116.64 1oqs h ASN 111 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1oqs h ASN 111 Cb 0.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 1oqs h ASN 111 CO 0.02 0.02 0.00 0.35 0.07 0.00 0.00 177.43 177.89 1oqs n THR 112 N -3.73 2.35 -1.70 6.14 -2.24 -0.84 -5.00 114.28 109.27 1oqs n THR 112 Ca -0.03 -1.63 -0.44 0.00 -2.27 0.00 0.00 64.05 59.69 1oqs n THR 112 Cb 0.11 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 1oqs n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oqs n TYR 113 N 0.04 2.43 -3.86 4.78 4.19 0.04 -4.95 117.16 119.84 1oqs n TYR 113 Ca 0.23 0.35 -0.29 0.00 3.31 0.00 0.00 57.90 61.50 1oqs n TYR 113 Cb 0.97 -2.52 -0.16 0.00 0.49 0.00 0.00 39.34 38.13 1oqs n TYR 113 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1oqs s ASP 114 N 0.42 3.49 0.63 2.98 -1.08 -1.26 -4.97 116.67 116.88 1oqs s ASP 114 Ca 0.67 -1.05 0.23 0.00 -0.52 0.00 0.00 52.55 51.88 1oqs s ASP 114 Cb -0.59 -0.95 1.13 0.00 -1.46 0.00 0.00 42.92 41.05 1oqs s ASP 114 CO 0.48 -0.27 1.62 0.11 0.52 0.00 0.00 175.17 177.63 1oqs h LYS 115 N 8.07 0.00 0.00 4.34 1.57 -1.99 0.19 116.57 128.75 1oqs h LYS 115 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1oqs h LYS 115 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1oqs h LYS 115 CO 0.38 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.35 1oqs n ASN 116 N -3.10 0.00 -0.66 0.86 3.02 -1.26 -0.59 115.26 113.53 1oqs n ASN 116 Ca 0.06 0.40 0.12 0.00 -0.03 0.00 0.00 54.58 55.13 1oqs n ASN 116 Cb 0.79 -0.46 0.37 0.00 -0.61 0.00 0.00 39.78 39.87 1oqs n ASN 116 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1oqs n TYR 117 N -1.46 0.14 -2.44 3.10 4.01 0.68 -4.72 117.16 116.47 1oqs n TYR 117 Ca 0.05 -0.07 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1oqs n TYR 117 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 1oqs n TYR 117 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1oqs s GLU 118 N -1.86 4.44 -1.62 -0.72 2.02 0.24 -0.76 118.70 120.44 1oqs s GLU 118 Ca 0.35 1.75 0.00 0.00 0.02 0.00 0.00 54.97 57.08 1oqs s GLU 118 Cb 0.20 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1oqs s GLU 118 CO 0.30 -0.25 0.00 0.66 0.02 0.00 0.00 175.26 175.99 1oqs n TYR 119 N 3.95 -0.36 0.24 1.61 4.01 0.85 -4.89 117.16 122.57 1oqs n TYR 119 Ca 0.09 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.92 1oqs n TYR 119 Cb 0.47 -3.11 0.58 0.00 -0.31 0.00 0.00 39.34 36.97 1oqs n TYR 119 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1oqs h TYR 120 N 0.00 0.00 0.00 -0.72 3.20 -1.70 -2.45 116.97 115.30 1oqs h TYR 120 Ca -0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1oqs h TYR 120 Cb 1.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1oqs h TYR 120 CO 0.46 0.20 0.00 -1.13 -1.64 0.00 0.00 178.16 176.05 1oqs n SER 121 N -3.72 0.00 -0.09 -2.11 3.41 -1.25 -1.88 113.62 107.98 1oqs n SER 121 Ca -0.01 -0.41 -0.11 0.00 -0.26 0.00 0.00 58.87 58.07 1oqs n SER 121 Cb 0.31 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1oqs n SER 121 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1oqs h ILE 122 N 0.00 1.28 -0.00 -1.33 2.10 -1.81 -3.38 117.51 114.37 1oqs h ILE 122 Ca 0.00 -1.56 0.00 0.00 1.08 0.00 0.00 64.86 64.38 1oqs h ILE 122 Cb 0.15 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 1oqs h ILE 122 CO 0.00 0.51 0.00 -1.20 -1.08 0.00 0.00 178.15 176.38 1oqs n SER 124 N -4.05 1.34 -0.32 2.19 7.64 -1.19 -5.05 113.62 114.19 1oqs n SER 124 Ca -0.02 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.52 1oqs n SER 124 Cb 0.54 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1oqs n SER 124 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1oqs n HIS 125 N -0.17 0.00 -2.63 1.43 8.25 -0.79 -4.90 115.22 116.41 1oqs n HIS 125 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1oqs n HIS 125 Cb 0.09 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.21 1oqs n HIS 125 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oqs n THR 127 N -4.05 0.00 -2.26 0.00 5.66 -1.26 -3.11 114.28 109.27 1oqs n THR 127 Ca -0.09 -0.50 -0.10 0.00 -3.05 0.00 0.00 64.05 60.31 1oqs n THR 127 Cb 0.59 1.33 0.06 0.00 -1.55 0.00 0.00 70.33 70.75 1oqs n THR 127 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1oqs n GLU 128 N 0.87 0.18 -1.55 1.09 0.00 -1.26 -4.91 120.64 115.05 1oqs n GLU 128 Ca 0.09 -1.13 -0.50 0.00 0.00 0.00 0.00 57.16 55.61 1oqs n GLU 128 Cb 0.40 -0.33 -0.05 0.00 0.00 0.00 0.00 31.44 31.46 1oqs n GLU 128 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1oqs n GLU 129 N -1.86 0.92 -2.45 3.44 2.13 -1.26 -3.52 120.64 118.04 1oqs n GLU 129 Ca 0.07 0.33 -0.26 0.00 0.66 0.00 0.00 57.16 57.95 1oqs n GLU 129 Cb 0.25 -1.80 0.03 0.00 0.27 0.00 0.00 31.44 30.19 1oqs n GLU 129 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1oqs s SER 130 N -0.04 5.67 0.53 4.31 0.01 -1.26 -3.10 113.70 119.83 1oqs s SER 130 Ca 0.76 0.71 -0.18 0.00 1.31 0.00 0.00 55.95 58.55 1oqs s SER 130 Cb -0.92 -1.75 -0.06 0.00 0.21 0.00 0.00 66.02 63.50 1oqs s SER 130 CO 0.53 -1.00 1.05 -1.61 0.41 0.00 0.00 173.24 172.62 1oqs s GLU 131 N -4.94 3.58 0.01 12.44 0.41 -1.14 -4.87 118.70 124.19 1oqs s GLU 131 Ca 0.53 1.30 0.06 0.00 -0.41 0.00 0.00 54.97 56.46 1oqs s GLU 131 Cb -0.10 -2.07 -0.02 0.00 -1.78 0.00 0.00 34.13 30.16 1oqs s GLU 131 CO 0.45 -0.60 -0.20 -0.65 -0.49 0.00 0.00 175.26 173.77 1oqs s GLN 132 N -3.60 1.46 0.00 1.61 -1.52 -1.26 -5.02 119.66 111.33 1oqs s GLN 132 Ca 0.66 -0.80 0.11 0.00 -1.95 0.00 0.00 55.36 53.38 1oqs s GLN 132 Cb -0.16 -1.48 0.63 0.00 -0.22 0.00 0.00 33.01 31.77 1oqs s GLN 132 CO 0.27 0.39 1.07 0.00 -0.25 0.00 0.00 175.29 176.78