#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqa n SER 2 N 0.00 0.60 -0.64 1.61 3.41 -1.26 -4.90 113.62 112.44 1oqa n SER 2 Ca 0.00 0.08 0.06 0.00 -0.26 0.00 0.00 58.87 58.75 1oqa n SER 2 Cb 0.00 -0.19 0.14 0.00 -0.26 0.00 0.00 64.21 63.90 1oqa n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oqa n GLN 3 N -3.04 1.09 -4.09 4.33 6.02 -1.26 -5.06 117.38 115.37 1oqa n GLN 3 Ca -0.00 -2.70 -0.14 0.00 -0.01 0.00 0.00 57.00 54.15 1oqa n GLN 3 Cb 0.01 -1.19 -0.05 0.00 1.02 0.00 0.00 30.24 30.03 1oqa n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1oqa s ASP 4 N -2.74 0.68 0.32 1.08 1.11 -1.26 -5.09 116.67 110.77 1oqa s ASP 4 Ca 0.33 -1.38 0.00 0.00 0.18 0.00 0.00 52.55 51.68 1oqa s ASP 4 Cb 0.32 0.62 0.00 0.00 1.07 0.00 0.00 42.92 44.93 1oqa s ASP 4 CO -0.06 -1.22 0.00 -1.14 1.18 0.00 0.00 175.17 173.93 1oqa n ARG 5 N -0.50 0.00 -1.48 8.23 0.63 -1.26 -4.41 116.66 117.87 1oqa n ARG 5 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1oqa n ARG 5 Cb 0.62 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.53 1oqa n ARG 5 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1oqa n LYS 6 N -3.16 -4.19 0.23 -0.14 4.76 -1.26 -4.47 118.16 109.93 1oqa n LYS 6 Ca 0.00 3.07 0.12 0.00 -2.87 0.00 0.00 58.31 58.63 1oqa n LYS 6 Cb 0.00 -3.41 0.32 0.00 -1.84 0.00 0.00 35.03 30.10 1oqa n LYS 6 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1oqa h ILE 7 N 2.02 0.17 0.01 -0.18 3.07 -1.35 -3.32 117.51 117.94 1oqa h ILE 7 Ca 0.00 -1.04 -0.33 0.00 1.55 0.00 0.00 64.86 65.04 1oqa h ILE 7 Cb 0.00 1.90 -0.05 0.00 -0.27 0.00 0.00 36.82 38.40 1oqa h ILE 7 CO 0.00 0.09 -1.83 0.49 -1.05 0.00 0.00 178.15 175.85 1oqa n PHE 8 N -3.15 0.66 -3.04 0.16 3.72 0.15 -4.22 117.46 111.74 1oqa n PHE 8 Ca 0.02 0.25 -0.00 0.00 -0.05 0.00 0.00 57.45 57.68 1oqa n PHE 8 Cb 0.48 -1.07 -0.00 0.00 -0.94 0.00 0.00 39.48 37.95 1oqa n PHE 8 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1oqa n ARG 9 N -4.20 -1.34 -2.13 -1.08 0.63 -1.24 -4.48 116.66 102.83 1oqa n ARG 9 Ca -0.40 1.41 -0.03 0.00 -0.92 0.00 0.00 57.85 57.91 1oqa n ARG 9 Cb 0.81 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.60 1oqa n ARG 9 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1oqa n GLY 10 N 1.37 -0.91 3.15 5.14 0.00 -1.13 -4.84 105.19 107.97 1oqa n GLY 10 Ca -0.02 0.40 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 1oqa n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oqa s LEU 11 N -2.01 1.82 -0.14 0.99 0.20 -1.24 -2.54 118.68 115.75 1oqa s LEU 11 Ca 0.08 -0.72 -0.03 0.00 0.69 0.00 0.00 54.13 54.15 1oqa s LEU 11 Cb -0.02 0.69 0.05 0.00 -0.43 0.00 0.00 46.19 46.48 1oqa s LEU 11 CO 0.34 -0.64 0.05 -1.61 -0.29 0.00 0.00 176.35 174.20 1oqa s GLU 12 N -3.58 0.39 -0.08 1.98 2.02 0.33 0.12 118.70 119.88 1oqa s GLU 12 Ca 0.03 -0.12 0.02 0.00 0.02 0.00 0.00 54.97 54.93 1oqa s GLU 12 Cb 0.04 -1.60 0.01 0.00 0.10 0.00 0.00 34.13 32.69 1oqa s GLU 12 CO -0.09 -0.54 -0.14 0.42 0.02 0.00 0.00 175.26 174.93 1oqa s ILE 13 N 2.00 1.30 -0.11 -1.63 1.01 -0.86 0.16 121.20 123.07 1oqa s ILE 13 Ca 0.02 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1oqa s ILE 13 Cb -0.15 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 1oqa s ILE 13 CO -0.07 0.39 -0.17 0.00 0.00 0.00 0.00 174.94 175.10 1oqa s TYR 16 N 2.13 3.49 0.00 0.00 5.04 -0.76 -4.95 117.35 122.30 1oqa s TYR 16 Ca 0.10 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 1oqa s TYR 16 Cb -0.21 -2.46 0.00 0.00 0.35 0.00 0.00 41.96 39.65 1oqa s TYR 16 CO 0.10 0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.92 1oqa n GLY 17 N 3.32 1.90 0.13 8.97 0.00 -1.26 -4.40 105.19 113.86 1oqa n GLY 17 Ca -0.09 -1.94 0.13 0.00 0.00 0.00 0.00 46.02 44.11 1oqa n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oqa h PRO 18 N 0.00 0.00 0.00 1.61 0.13 -1.92 -3.48 132.00 128.34 1oqa h PRO 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1oqa h PRO 18 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1oqa h PRO 18 CO 0.00 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 178.96 1oqa n PHE 19 N -2.48 0.00 0.00 1.56 3.01 -1.26 -4.10 117.46 114.19 1oqa n PHE 19 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1oqa n PHE 19 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1oqa n PHE 19 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1oqa n THR 20 N 0.00 0.00 -2.67 4.37 -2.24 -1.26 -2.27 114.28 110.21 1oqa n THR 20 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1oqa n THR 20 Cb 0.00 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 1oqa n THR 20 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1oqa n ASN 21 N -1.30 -1.37 0.00 3.42 5.15 -1.26 -5.01 115.26 114.90 1oqa n ASN 21 Ca 0.00 -1.93 0.00 0.00 -0.60 0.00 0.00 54.58 52.05 1oqa n ASN 21 Cb 0.00 1.06 0.00 0.00 -0.53 0.00 0.00 39.78 40.31 1oqa n ASN 21 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1oqa n MET 22 N -0.40 0.00 -0.59 1.20 1.56 -1.26 -5.03 117.12 112.60 1oqa n MET 22 Ca -0.18 0.00 -0.25 0.00 -0.27 0.00 0.00 57.70 57.00 1oqa n MET 22 Cb 0.71 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 36.04 1oqa n MET 22 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1oqa n PRO 23 N 0.00 1.01 0.00 2.12 -0.02 -1.26 -3.41 135.00 133.43 1oqa n PRO 23 Ca 0.00 -1.20 0.00 0.00 -2.02 0.00 0.00 63.50 60.28 1oqa n PRO 23 Cb 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 1oqa n PRO 23 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1oqa n THR 24 N 5.34 0.00 0.01 3.45 -2.24 -1.26 -4.72 114.28 114.85 1oqa n THR 24 Ca 0.34 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.02 1oqa n THR 24 Cb 0.21 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.30 1oqa n THR 24 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1oqa h ASP 25 N 0.00 0.07 1.32 3.42 3.32 -2.01 -3.09 116.42 119.46 1oqa h ASP 25 Ca 0.00 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 1oqa h ASP 25 Cb 0.00 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1oqa h ASP 25 CO 0.00 1.11 -0.42 -0.61 -1.72 0.00 0.00 179.24 177.60 1oqa h GLN 26 N 0.01 0.00 -0.01 3.56 4.15 -1.92 -2.81 115.11 118.09 1oqa h GLN 26 Ca -0.23 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 1oqa h GLN 26 Cb 1.96 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.65 1oqa h GLN 26 CO 0.10 0.42 -0.11 1.25 -1.93 0.00 0.00 178.83 178.57 1oqa h LEU 27 N 0.00 0.12 -1.68 -2.39 5.85 -1.71 -2.26 115.31 113.24 1oqa h LEU 27 Ca -0.00 -0.70 -0.04 0.00 0.84 0.00 0.00 57.88 57.97 1oqa h LEU 27 Cb 1.20 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1oqa h LEU 27 CO 0.05 0.80 -0.19 1.05 -0.34 0.00 0.00 178.44 179.82 1oqa h GLU 28 N -0.56 0.00 -0.01 1.25 4.11 -1.60 -2.14 114.58 115.64 1oqa h GLU 28 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1oqa h GLU 28 Cb 0.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1oqa h GLU 28 CO 0.02 0.19 -0.01 2.35 0.07 0.00 0.00 179.01 181.64 1oqa h TRP 29 N 0.00 0.02 -0.39 2.06 7.01 -1.49 -0.96 115.95 122.19 1oqa h TRP 29 Ca -0.00 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.06 1oqa h TRP 29 Cb 0.40 -0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.40 1oqa h TRP 29 CO 0.00 0.49 0.03 0.52 -2.79 0.00 0.00 178.44 176.69 1oqa h MET 30 N -0.46 0.14 -0.42 2.65 2.86 -1.04 0.40 114.93 119.06 1oqa h MET 30 Ca 0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1oqa h MET 30 Cb 0.49 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1oqa h MET 30 CO 0.00 0.09 0.20 -0.39 1.06 0.00 0.00 176.91 177.88 1oqa h VAL 31 N 0.14 1.17 -0.73 -2.22 -1.51 -1.41 -1.90 116.25 109.79 1oqa h VAL 31 Ca 0.19 -0.49 0.06 0.00 -1.23 0.00 0.00 66.70 65.22 1oqa h VAL 31 Cb 0.25 0.73 -0.04 0.00 -2.13 0.00 0.00 31.29 30.10 1oqa h VAL 31 CO -0.29 0.19 0.48 1.56 -1.23 0.00 0.00 177.57 178.28 1oqa h GLN 32 N 0.54 0.77 0.00 5.19 1.08 -0.26 0.18 115.11 122.61 1oqa h GLN 32 Ca 0.14 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1oqa h GLN 32 Cb 0.11 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1oqa h GLN 32 CO -0.02 0.51 -0.06 1.25 -0.95 0.00 0.00 178.83 179.57 1oqa h LEU 33 N 0.80 0.00 -0.85 1.46 5.85 0.49 -2.52 115.31 120.54 1oqa h LEU 33 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1oqa h LEU 33 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1oqa h LEU 33 CO -0.10 0.06 -0.21 0.00 -0.34 0.00 0.00 178.44 177.85 1oqa n GLY 35 N 1.31 1.79 3.80 0.00 0.00 -0.91 0.33 105.19 111.52 1oqa n GLY 35 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1oqa n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oqa s ALA 36 N -2.10 1.55 -0.03 4.61 0.00 -0.42 -2.85 121.76 122.52 1oqa s ALA 36 Ca 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.75 1oqa s ALA 36 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1oqa s ALA 36 CO 0.00 -3.03 -0.09 0.45 0.00 0.00 0.00 175.76 173.09 1oqa s SER 37 N -4.60 1.18 -0.26 0.00 0.15 0.32 -3.98 113.70 106.51 1oqa s SER 37 Ca 0.75 -0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.93 1oqa s SER 37 Cb -0.04 -0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 63.93 1oqa s SER 37 CO 0.55 0.06 1.52 0.54 1.20 0.00 0.00 173.24 177.10 1oqa s VAL 38 N 0.20 3.83 -0.22 4.45 0.11 -1.26 -2.02 120.40 125.49 1oqa s VAL 38 Ca -0.03 0.93 -0.15 0.00 -2.93 0.00 0.00 61.98 59.79 1oqa s VAL 38 Cb -0.08 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 30.86 1oqa s VAL 38 CO 0.00 -0.38 0.37 -0.69 -3.33 0.00 0.00 175.10 171.07 1oqa s VAL 39 N 5.04 5.21 0.13 2.04 1.01 -1.15 -4.97 120.40 127.72 1oqa s VAL 39 Ca 0.67 0.62 -0.19 0.00 0.00 0.00 0.00 61.98 63.07 1oqa s VAL 39 Cb -0.22 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1oqa s VAL 39 CO 0.28 0.24 1.71 0.11 0.00 0.00 0.00 175.10 177.44 1oqa h LYS 40 N 7.58 0.05 0.00 2.72 6.56 -1.94 -3.41 116.57 128.13 1oqa h LYS 40 Ca -0.35 -0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 58.92 1oqa h LYS 40 Cb 1.16 -0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 32.73 1oqa h LYS 40 CO 0.69 0.03 -0.30 0.39 -2.06 0.00 0.00 179.45 178.21 1oqa n GLU 41 N -5.16 0.32 -0.04 3.15 1.02 -1.26 -4.97 120.64 113.70 1oqa n GLU 41 Ca -0.02 -2.31 -0.15 0.00 -0.02 0.00 0.00 57.16 54.66 1oqa n GLU 41 Cb 0.12 1.94 -0.03 0.00 -0.02 0.00 0.00 31.44 33.45 1oqa n GLU 41 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1oqa h LEU 42 N 0.00 0.88 0.00 -4.62 3.38 -1.97 -2.94 115.31 110.04 1oqa h LEU 42 Ca -0.17 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1oqa h LEU 42 Cb 0.85 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1oqa h LEU 42 CO 0.25 1.30 0.00 -1.20 0.09 0.00 0.00 178.44 178.88 1oqa n SER 43 N -3.96 0.00 0.21 -0.43 7.64 -1.26 -2.96 113.62 112.85 1oqa n SER 43 Ca -0.05 0.13 0.09 0.00 1.01 0.00 0.00 58.87 60.04 1oqa n SER 43 Cb 0.67 -0.35 0.35 0.00 -1.01 0.00 0.00 64.21 63.87 1oqa n SER 43 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1oqa h SER 44 N 0.00 0.00 -2.51 6.43 0.02 -1.92 -3.45 113.55 112.12 1oqa h SER 44 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 1oqa h SER 44 Cb 0.27 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.90 1oqa h SER 44 CO 0.00 0.26 0.45 0.49 -1.14 0.00 0.00 176.83 176.89 1oqa n PHE 45 N -3.32 1.84 -4.33 3.45 3.72 -1.16 -4.99 117.46 112.66 1oqa n PHE 45 Ca 0.01 0.54 -0.22 0.00 -0.05 0.00 0.00 57.45 57.73 1oqa n PHE 45 Cb 0.50 -2.38 -0.16 0.00 -0.94 0.00 0.00 39.48 36.49 1oqa n PHE 45 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1oqa s THR 46 N -0.31 0.78 -1.13 4.37 2.01 -1.26 -5.07 115.64 115.03 1oqa s THR 46 Ca 0.67 -0.27 -0.21 0.00 0.31 0.00 0.00 61.69 62.19 1oqa s THR 46 Cb -0.70 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.09 1oqa s THR 46 CO 0.53 0.28 1.63 -1.48 -0.69 0.00 0.00 174.62 174.88 1oqa s LEU 47 N 0.81 3.58 0.00 4.42 2.34 -1.26 -4.86 118.68 123.71 1oqa s LEU 47 Ca -0.13 -1.78 0.00 0.00 0.06 0.00 0.00 54.13 52.28 1oqa s LEU 47 Cb -0.15 -2.57 0.00 0.00 -0.56 0.00 0.00 46.19 42.91 1oqa s LEU 47 CO 0.02 -1.57 0.00 0.61 -1.06 0.00 0.00 176.35 174.35 1oqa n GLY 48 N 6.26 1.93 0.76 -3.48 0.00 -1.26 -5.03 105.19 104.36 1oqa n GLY 48 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1oqa n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oqa n THR 49 N 0.00 0.00 -2.32 2.61 -2.24 -1.26 -4.90 114.28 106.17 1oqa n THR 49 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1oqa n THR 49 Cb 0.00 -0.74 0.06 0.00 -2.10 0.00 0.00 70.33 67.55 1oqa n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oqa n GLY 50 N 2.54 1.87 3.33 3.38 0.00 -1.26 -5.04 105.19 110.01 1oqa n GLY 50 Ca 0.00 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 1oqa n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1oqa s VAL 51 N -0.70 4.13 -0.07 1.61 -7.23 -1.25 -4.24 120.40 112.66 1oqa s VAL 51 Ca 0.35 -0.89 -0.15 0.00 -1.81 0.00 0.00 61.98 59.48 1oqa s VAL 51 Cb 0.39 -3.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 1oqa s VAL 51 CO -0.15 -0.12 0.38 -1.00 -0.31 0.00 0.00 175.10 173.91 1oqa s HIS 52 N 1.49 3.61 0.14 2.82 0.09 -1.05 -4.57 115.29 117.81 1oqa s HIS 52 Ca 0.01 0.86 -0.28 0.00 -0.00 0.00 0.00 55.06 55.65 1oqa s HIS 52 Cb -0.19 -2.34 -0.07 0.00 -0.00 0.00 0.00 32.58 29.98 1oqa s HIS 52 CO 0.04 0.45 0.86 -1.25 -0.00 0.00 0.00 174.74 174.84 1oqa s PRO 53 N -0.33 4.65 0.02 8.40 0.04 -1.26 -0.51 135.00 146.01 1oqa s PRO 53 Ca 0.22 1.30 -0.07 0.00 0.04 0.00 0.00 61.00 62.49 1oqa s PRO 53 Cb -0.15 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.06 1oqa s PRO 53 CO 0.10 0.39 0.12 0.42 0.04 0.00 0.00 177.00 178.07 1oqa s ILE 54 N -0.56 0.11 0.10 0.56 -1.09 0.42 -4.30 121.20 116.43 1oqa s ILE 54 Ca 0.41 -0.88 0.06 0.00 -2.23 0.00 0.00 60.65 58.02 1oqa s ILE 54 Cb -0.23 -0.66 -0.03 0.00 -1.58 0.00 0.00 42.46 39.95 1oqa s ILE 54 CO 0.28 -0.48 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.65 1oqa s VAL 55 N -2.00 1.39 0.05 2.92 1.01 0.28 -2.38 120.40 121.67 1oqa s VAL 55 Ca -0.10 -1.49 0.06 0.00 0.00 0.00 0.00 61.98 60.44 1oqa s VAL 55 Cb -0.04 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1oqa s VAL 55 CO -0.01 -0.21 -0.16 -0.69 0.00 0.00 0.00 175.10 174.03 1oqa s VAL 56 N -1.44 1.23 0.21 2.92 1.01 0.79 0.80 120.40 125.93 1oqa s VAL 56 Ca 0.04 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 60.92 1oqa s VAL 56 Cb -0.09 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1oqa s VAL 56 CO 0.03 -0.03 0.17 1.33 0.00 0.00 0.00 175.10 176.60 1oqa n VAL 57 N 1.68 0.00 -2.90 2.92 0.24 -1.11 -1.83 118.33 117.33 1oqa n VAL 57 Ca -0.19 -1.49 0.03 0.00 -2.04 0.00 0.00 64.34 60.65 1oqa n VAL 57 Cb 0.54 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 1oqa n VAL 57 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1oqa s GLN 58 N -2.84 0.17 -0.92 7.34 0.74 -1.26 -2.86 119.66 120.01 1oqa s GLN 58 Ca 0.23 0.00 -0.09 0.00 0.05 0.00 0.00 55.36 55.56 1oqa s GLN 58 Cb 0.01 0.03 -0.07 0.00 1.10 0.00 0.00 33.01 34.09 1oqa s GLN 58 CO 0.17 -0.26 2.10 -0.35 -0.55 0.00 0.00 175.29 176.40 1oqa n PRO 59 N 4.16 2.05 0.01 1.67 -0.04 -1.26 -4.11 135.00 137.48 1oqa n PRO 59 Ca 0.07 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1oqa n PRO 59 Cb 0.61 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1oqa n PRO 59 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1oqa n ASP 60 N 4.74 0.22 0.11 3.54 2.03 -1.26 -4.82 116.55 121.12 1oqa n ASP 60 Ca 0.46 0.03 0.04 0.00 0.52 0.00 0.00 54.79 55.84 1oqa n ASP 60 Cb 0.18 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1oqa n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oqa h ALA 61 N 0.00 0.68 -0.33 -1.67 0.00 -1.60 -3.29 119.26 113.05 1oqa h ALA 61 Ca 0.00 -0.47 0.09 0.00 0.00 0.00 0.00 54.91 54.53 1oqa h ALA 61 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1oqa h ALA 61 CO 0.00 0.57 0.24 -1.49 0.00 0.00 0.00 179.25 178.57 1oqa h TRP 62 N 0.00 0.00 -0.55 0.00 4.06 -1.84 -3.47 115.95 114.15 1oqa h TRP 62 Ca -0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.90 1oqa h TRP 62 Cb 1.36 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.52 1oqa h TRP 62 CO 0.00 0.00 0.00 -2.37 -3.56 0.00 0.00 178.44 172.51 1oqa n THR 63 N -4.42 0.00 -4.34 1.49 5.66 -1.24 -4.66 114.28 106.77 1oqa n THR 63 Ca 0.05 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.71 1oqa n THR 63 Cb 0.41 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.06 1oqa n THR 63 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1oqa s GLU 64 N 0.00 3.52 0.00 1.09 8.01 -1.26 -4.80 118.70 125.25 1oqa s GLU 64 Ca 0.00 -0.59 0.00 0.00 0.01 0.00 0.00 54.97 54.39 1oqa s GLU 64 Cb 0.00 -2.88 0.00 0.00 -4.31 0.00 0.00 34.13 26.94 1oqa s GLU 64 CO 0.00 0.10 0.00 -0.40 0.01 0.00 0.00 175.26 174.97 1oqa n ASP 65 N 3.92 0.00 -0.13 -0.19 5.75 -1.26 -5.00 116.55 119.64 1oqa n ASP 65 Ca -0.18 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.32 1oqa n ASP 65 Cb 0.52 0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 40.53 1oqa n ASP 65 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1oqa n ASN 66 N -1.04 1.93 0.00 -1.12 2.85 -1.26 -5.10 115.26 111.52 1oqa n ASN 66 Ca 0.00 0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 1oqa n ASN 66 Cb 0.00 -0.86 0.00 0.00 1.24 0.00 0.00 39.78 40.16 1oqa n ASN 66 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1oqa n GLY 67 N 1.30 3.14 1.13 8.20 0.00 -1.26 -5.01 105.19 112.68 1oqa n GLY 67 Ca -0.49 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 44.90 1oqa n GLY 67 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1oqa n PHE 68 N 0.00 0.64 -1.81 1.61 7.35 -1.26 -4.62 117.46 119.37 1oqa n PHE 68 Ca 0.00 -0.36 -0.34 0.00 -0.76 0.00 0.00 57.45 55.99 1oqa n PHE 68 Cb 0.00 -0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.80 1oqa n PHE 68 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 1oqa n HIS 69 N 1.39 2.18 -2.17 -5.13 -0.00 -1.26 -3.98 115.22 106.26 1oqa n HIS 69 Ca 0.20 -2.40 -0.01 0.00 0.46 0.00 0.00 57.72 55.97 1oqa n HIS 69 Cb 0.58 -1.57 0.01 0.00 -0.12 0.00 0.00 29.99 28.88 1oqa n HIS 69 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1oqa n ALA 70 N 1.16 -0.86 0.12 1.57 0.00 -1.26 -5.02 120.51 116.21 1oqa n ALA 70 Ca 0.55 -0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.77 1oqa n ALA 70 Cb 0.38 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 1oqa n ALA 70 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1oqa h ILE 71 N 0.82 0.00 -0.06 0.00 1.08 -1.92 -2.40 117.51 115.02 1oqa h ILE 71 Ca -0.09 -0.37 0.02 0.00 -0.39 0.00 0.00 64.86 64.03 1oqa h ILE 71 Cb 0.91 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1oqa h ILE 71 CO -0.04 0.00 0.07 1.23 -0.69 0.00 0.00 178.15 178.72 1oqa h GLY 72 N -0.72 0.00 2.00 5.37 0.00 -1.88 0.17 103.07 108.00 1oqa h GLY 72 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1oqa h GLY 72 CO 0.06 0.00 -0.42 -1.61 0.00 0.00 0.00 176.54 174.57 1oqa h GLN 73 N 0.00 0.00 0.01 4.80 4.15 -1.96 -3.27 115.11 118.84 1oqa h GLN 73 Ca 0.03 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.12 1oqa h GLN 73 Cb 0.17 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 1oqa h GLN 73 CO -0.00 0.42 -1.99 -1.33 -1.93 0.00 0.00 178.83 174.00 1oqa n MET 74 N -3.30 0.66 -4.08 1.69 2.81 0.03 -4.93 117.12 110.00 1oqa n MET 74 Ca 0.01 0.19 -0.30 0.00 -1.81 0.00 0.00 57.70 55.79 1oqa n MET 74 Cb 0.64 -1.68 -0.07 0.00 -0.71 0.00 0.00 33.22 31.40 1oqa n MET 74 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1oqa n GLU 76 N 0.39 2.28 -4.10 0.00 2.13 -1.26 -4.63 120.64 115.46 1oqa n GLU 76 Ca -0.09 -3.09 -0.11 0.00 0.66 0.00 0.00 57.16 54.53 1oqa n GLU 76 Cb 0.52 -2.15 -0.08 0.00 0.27 0.00 0.00 31.44 29.99 1oqa n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1oqa s ALA 77 N -3.38 0.55 -0.12 4.31 0.00 -1.26 -5.01 121.76 116.85 1oqa s ALA 77 Ca 0.57 -1.31 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 1oqa s ALA 77 Cb 0.47 1.15 -0.02 0.00 0.00 0.00 0.00 23.12 24.72 1oqa s ALA 77 CO 0.08 -0.66 1.26 -1.25 0.00 0.00 0.00 175.76 175.19 1oqa s PRO 78 N -4.08 4.27 -0.21 0.00 0.04 -1.26 -4.68 135.00 129.08 1oqa s PRO 78 Ca 0.29 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 1oqa s PRO 78 Cb 0.04 -3.70 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 1oqa s PRO 78 CO 0.08 -0.63 0.47 0.08 0.04 0.00 0.00 177.00 177.04 1oqa s VAL 79 N 3.09 5.14 -0.03 -0.36 1.01 -1.25 1.00 120.40 129.01 1oqa s VAL 79 Ca 0.56 0.84 0.01 0.00 0.00 0.00 0.00 61.98 63.39 1oqa s VAL 79 Cb -0.23 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1oqa s VAL 79 CO 0.18 0.19 -0.01 0.68 0.00 0.00 0.00 175.10 176.14 1oqa s VAL 80 N 1.60 0.25 0.85 2.92 -7.23 0.24 -3.01 120.40 116.02 1oqa s VAL 80 Ca 0.22 0.01 -0.15 0.00 -1.81 0.00 0.00 61.98 60.25 1oqa s VAL 80 Cb -0.15 -0.31 -0.01 0.00 0.56 0.00 0.00 36.38 36.47 1oqa s VAL 80 CO 0.09 0.14 0.37 0.35 -0.31 0.00 0.00 175.10 175.74 1oqa n THR 81 N 3.90 0.76 0.10 5.32 -2.24 0.07 -2.77 114.28 119.42 1oqa n THR 81 Ca -0.24 -0.30 0.20 0.00 -2.27 0.00 0.00 64.05 61.43 1oqa n THR 81 Cb 0.52 -0.62 0.67 0.00 -2.10 0.00 0.00 70.33 68.80 1oqa n THR 81 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1oqa h ARG 82 N -1.00 0.00 -1.01 -0.78 -0.00 -1.88 -1.12 114.38 108.59 1oqa h ARG 82 Ca -0.44 0.00 0.31 0.00 -0.00 0.00 0.00 59.98 59.85 1oqa h ARG 82 Cb 1.31 0.00 -0.14 0.00 -0.00 0.00 0.00 29.97 31.14 1oqa h ARG 82 CO 0.37 0.00 0.58 1.49 -0.00 0.00 0.00 179.97 182.41 1oqa h GLU 83 N 0.00 0.36 0.72 0.08 4.57 -1.90 0.28 114.58 118.69 1oqa h GLU 83 Ca 0.20 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1oqa h GLU 83 Cb 1.36 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.88 1oqa h GLU 83 CO -0.00 0.24 -0.34 2.35 -1.18 0.00 0.00 179.01 180.07 1oqa h TRP 84 N 0.37 -0.89 -0.90 0.92 7.01 -1.50 0.82 115.95 121.78 1oqa h TRP 84 Ca 0.72 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.81 1oqa h TRP 84 Cb 1.60 0.30 -0.08 0.00 -2.10 0.00 0.00 29.16 28.87 1oqa h TRP 84 CO -0.01 -0.55 0.53 0.28 -2.79 0.00 0.00 178.44 175.91 1oqa h VAL 85 N -1.00 0.87 0.02 2.65 2.07 -0.94 0.45 116.25 120.37 1oqa h VAL 85 Ca -0.10 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1oqa h VAL 85 Cb 0.75 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1oqa h VAL 85 CO 0.16 0.15 -0.01 0.25 0.02 0.00 0.00 177.57 178.14 1oqa h LEU 86 N 0.83 -0.02 -1.69 2.57 5.85 -0.39 -0.30 115.31 122.16 1oqa h LEU 86 Ca 0.45 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1oqa h LEU 86 Cb 0.49 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1oqa h LEU 86 CO -0.28 0.58 0.20 -0.78 -0.34 0.00 0.00 178.44 177.82 1oqa h ASP 87 N -0.63 0.36 0.02 1.25 3.58 0.11 0.57 116.42 121.67 1oqa h ASP 87 Ca -0.00 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.36 1oqa h ASP 87 Cb 0.60 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.57 1oqa h ASP 87 CO 0.00 0.26 -0.30 0.28 -2.88 0.00 0.00 179.24 176.60 1oqa h SER 88 N 0.42 0.23 0.77 2.28 0.02 -0.11 -3.05 113.55 114.10 1oqa h SER 88 Ca 0.11 -0.84 -0.07 0.00 -0.84 0.00 0.00 61.79 60.15 1oqa h SER 88 Cb -0.05 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1oqa h SER 88 CO -0.02 1.04 -0.35 0.58 -1.14 0.00 0.00 176.83 176.94 1oqa h VAL 89 N -0.55 0.87 0.53 2.27 2.07 -0.76 1.23 116.25 121.91 1oqa h VAL 89 Ca -0.04 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.05 1oqa h VAL 89 Cb 1.11 1.85 0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1oqa h VAL 89 CO 0.06 0.34 -0.26 0.00 0.02 0.00 0.00 177.57 177.73 1oqa h ALA 90 N 1.65 -0.72 0.00 1.67 0.00 0.08 -3.31 119.26 118.64 1oqa h ALA 90 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1oqa h ALA 90 Cb 0.82 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1oqa h ALA 90 CO 0.05 -0.71 -0.73 -0.11 0.00 0.00 0.00 179.25 177.75 1oqa n LEU 91 N -5.27 0.62 -2.22 0.00 7.94 -1.15 -5.02 117.00 111.90 1oqa n LEU 91 Ca -0.10 0.08 -0.04 0.00 -1.11 0.00 0.00 56.01 54.84 1oqa n LEU 91 Cb 0.31 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1oqa n LEU 91 CO 0.26 0.03 -0.00 0.00 -1.11 0.00 0.00 177.39 176.57 1oqa n TYR 92 N -1.89 -1.91 0.00 1.96 4.19 0.41 -5.07 117.16 114.85 1oqa n TYR 92 Ca 0.03 0.78 0.00 0.00 3.31 0.00 0.00 57.90 62.02 1oqa n TYR 92 Cb 0.41 -2.90 0.00 0.00 0.49 0.00 0.00 39.34 37.34 1oqa n TYR 92 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1oqa n GLN 93 N -0.32 0.00 -1.61 2.98 6.02 -0.53 -4.96 117.38 118.95 1oqa n GLN 93 Ca 0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.90 1oqa n GLN 93 Cb 0.23 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.40 1oqa n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1oqa s GLN 95 N 8.63 2.21 0.06 0.00 -1.52 -1.26 -4.94 119.66 122.84 1oqa s GLN 95 Ca 0.87 1.26 -0.31 0.00 -1.95 0.00 0.00 55.36 55.23 1oqa s GLN 95 Cb -0.10 -1.89 -0.08 0.00 -0.22 0.00 0.00 33.01 30.73 1oqa s GLN 95 CO 0.11 -1.69 1.55 -1.83 -0.25 0.00 0.00 175.29 173.19 1oqa s GLU 96 N -4.73 4.23 0.35 2.91 -1.05 -1.26 -4.90 118.70 114.26 1oqa s GLU 96 Ca 0.63 2.21 0.08 0.00 -0.15 0.00 0.00 54.97 57.75 1oqa s GLU 96 Cb -0.19 -3.52 0.66 0.00 -0.44 0.00 0.00 34.13 30.65 1oqa s GLU 96 CO 0.54 -0.65 1.84 -0.07 0.95 0.00 0.00 175.26 177.86 1oqa h LEU 97 N 8.17 0.23 -2.09 1.83 4.07 -1.98 -2.67 115.31 122.87 1oqa h LEU 97 Ca -0.41 -0.06 0.05 0.00 0.08 0.00 0.00 57.88 57.54 1oqa h LEU 97 Cb 1.20 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 1oqa h LEU 97 CO 0.92 0.48 0.33 0.44 -1.08 0.00 0.00 178.44 179.52 1oqa h ASP 98 N 0.22 0.00 1.53 -0.43 5.19 -1.95 0.42 116.42 121.40 1oqa h ASP 98 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1oqa h ASP 98 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1oqa h ASP 98 CO 0.04 0.00 0.00 0.74 -3.12 0.00 0.00 179.24 176.90 1oqa h THR 99 N 0.00 0.00 0.00 0.35 2.02 -1.87 -3.28 112.91 110.12 1oqa h THR 99 Ca 0.09 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1oqa h THR 99 Cb 0.75 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1oqa h THR 99 CO -0.00 0.00 -0.36 -1.22 0.37 0.00 0.00 175.52 174.31 1oqa n TYR 100 N -3.06 0.00 -2.28 3.16 4.01 0.92 -5.06 117.16 114.86 1oqa n TYR 100 Ca 0.02 -0.26 -0.26 0.00 -0.16 0.00 0.00 57.90 57.24 1oqa n TYR 100 Cb 0.42 -0.08 0.10 0.00 -0.31 0.00 0.00 39.34 39.48 1oqa n TYR 100 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1oqa s LEU 101 N -0.76 2.87 -0.22 7.72 0.20 0.11 -0.75 118.68 127.85 1oqa s LEU 101 Ca 0.08 0.16 -0.28 0.00 0.69 0.00 0.00 54.13 54.78 1oqa s LEU 101 Cb 0.07 -2.62 -0.05 0.00 -0.43 0.00 0.00 46.19 43.16 1oqa s LEU 101 CO 0.01 -1.87 2.23 -0.38 -0.29 0.00 0.00 176.35 176.05 1oqa n ILE 102 N -3.03 0.34 0.24 6.68 5.41 -1.16 -4.89 119.36 122.95 1oqa n ILE 102 Ca 0.11 -0.47 -0.12 0.00 1.00 0.00 0.00 62.75 63.28 1oqa n ILE 102 Cb 0.60 -2.58 -0.06 0.00 -0.71 0.00 0.00 39.64 36.89 1oqa n ILE 102 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1oqa h PRO 103 N 15.13 -0.68 -5.38 0.38 0.11 -1.94 -3.49 132.00 136.13 1oqa h PRO 103 Ca -0.41 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1oqa h PRO 103 Cb 1.24 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1oqa h PRO 103 CO 0.96 -0.46 -0.96 0.94 -0.21 0.00 0.00 178.00 178.27 1oqa n GLN 104 N -4.27 -2.88 -4.00 1.05 0.00 -1.26 -5.06 117.38 100.95 1oqa n GLN 104 Ca -0.09 2.41 -0.08 0.00 -0.00 0.00 0.00 57.00 59.24 1oqa n GLN 104 Cb 0.30 -4.66 -0.10 0.00 0.00 0.00 0.00 30.24 25.78 1oqa n GLN 104 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1oqa s ILE 105 N -1.62 0.16 0.75 1.69 -4.36 -1.26 -5.15 121.20 111.41 1oqa s ILE 105 Ca 0.03 -1.36 -0.15 0.00 -0.26 0.00 0.00 60.65 58.91 1oqa s ILE 105 Cb -0.01 -1.04 0.05 0.00 1.25 0.00 0.00 42.46 42.71 1oqa s ILE 105 CO 0.66 -0.75 1.21 -2.16 0.24 0.00 0.00 174.94 174.14 1oqa s PRO 106 N -2.98 2.01 1.17 0.37 0.04 -1.26 -4.79 135.00 129.55 1oqa s PRO 106 Ca -0.02 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1oqa s PRO 106 Cb 0.01 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1oqa s PRO 106 CO -0.06 -1.94 0.00 0.72 0.04 0.00 0.00 177.00 175.76 1oqa n HIS 107 N -2.86 -2.68 0.17 0.56 8.25 -1.26 -4.99 115.22 112.42 1oqa n HIS 107 Ca 0.14 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 1oqa n HIS 107 Cb 0.50 -1.31 0.00 0.00 1.12 0.00 0.00 29.99 30.30 1oqa n HIS 107 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1oqa n SER 108 N -3.31 -2.30 -4.16 0.41 2.88 -1.26 -5.09 113.62 100.78 1oqa n SER 108 Ca 0.00 0.63 -0.34 0.00 -1.33 0.00 0.00 58.87 57.84 1oqa n SER 108 Cb 0.29 2.26 -0.15 0.00 -0.75 0.00 0.00 64.21 65.86 1oqa n SER 108 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1oqa s HIS 109 N -2.00 3.02 0.00 0.66 3.76 -1.26 -5.22 115.29 114.25 1oqa s HIS 109 Ca 0.00 -1.67 0.00 0.00 -0.15 0.00 0.00 55.06 53.24 1oqa s HIS 109 Cb 0.00 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.68 1oqa s HIS 109 CO 0.00 -0.76 0.00 2.48 -0.85 0.00 0.00 174.74 175.61