#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 2.76 -2.31 1.61 3.41 -1.26 -5.01 113.62 112.82 1oqa n SER 2 Ca 0.00 -0.02 -0.20 0.00 -0.26 0.00 0.00 58.87 58.39 1oqa n SER 2 Cb 0.00 0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 64.39 1oqa n SER 2 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1oqa n GLN 3 N -2.52 -1.74 -4.41 4.33 7.27 -1.26 -4.97 117.38 114.08 1oqa n GLN 3 Ca -0.18 0.96 -0.23 0.00 0.07 0.00 0.00 57.00 57.63 1oqa n GLN 3 Cb 0.79 -5.58 -0.08 0.00 2.41 0.00 0.00 30.24 27.77 1oqa n GLN 3 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1oqa s ASP 4 N -2.13 2.29 -0.49 1.69 1.11 -1.26 -5.12 116.67 112.75 1oqa s ASP 4 Ca 0.01 -1.71 0.06 0.00 0.18 0.00 0.00 52.55 51.09 1oqa s ASP 4 Cb -0.01 0.54 0.21 0.00 1.07 0.00 0.00 42.92 44.74 1oqa s ASP 4 CO 0.02 -0.99 0.83 -1.14 1.18 0.00 0.00 175.17 175.06 1oqa n ARG 5 N -0.79 0.59 -2.69 8.23 0.63 -1.26 -5.15 116.66 116.23 1oqa n ARG 5 Ca -0.00 -1.81 -0.21 0.00 -0.92 0.00 0.00 57.85 54.91 1oqa n ARG 5 Cb 0.64 -1.34 0.04 0.00 0.45 0.00 0.00 32.46 32.25 1oqa n ARG 5 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1oqa s LYS 6 N 0.78 2.46 -0.01 -0.14 -2.85 -1.26 -5.03 119.74 113.70 1oqa s LYS 6 Ca 0.30 -0.91 0.09 0.00 -1.00 0.00 0.00 55.97 54.45 1oqa s LYS 6 Cb 0.10 -2.51 -0.13 0.00 -2.06 0.00 0.00 37.83 33.24 1oqa s LYS 6 CO -0.13 -0.76 0.27 0.44 0.10 0.00 0.00 175.35 175.28 1oqa n ILE 7 N -2.34 0.00 -0.07 3.79 -6.64 0.15 -4.67 119.36 109.58 1oqa n ILE 7 Ca 0.09 -0.24 -0.22 0.00 -1.77 0.00 0.00 62.75 60.61 1oqa n ILE 7 Cb 0.60 0.57 -0.12 0.00 -1.44 0.00 0.00 39.64 39.24 1oqa n ILE 7 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 1oqa n PHE 8 N -1.58 0.74 -2.94 4.28 3.72 0.37 -4.00 117.46 118.05 1oqa n PHE 8 Ca -0.00 0.21 -0.01 0.00 -0.05 0.00 0.00 57.45 57.60 1oqa n PHE 8 Cb 0.20 -1.09 -0.01 0.00 -0.94 0.00 0.00 39.48 37.65 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 -3.77 -2.06 -2.35 -1.08 0.63 -1.06 -4.54 116.66 102.43 1oqa n ARG 9 Ca -0.39 1.87 -0.03 0.00 -0.92 0.00 0.00 57.85 58.39 1oqa n ARG 9 Cb 0.93 -2.97 0.00 0.00 0.45 0.00 0.00 32.46 30.87 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 1.32 -0.96 3.12 5.14 0.00 -0.96 -4.78 105.19 108.07 1oqa n GLY 10 Ca -0.05 0.46 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 1oqa n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oqa s LEU 11 N -2.51 2.23 -0.19 0.99 1.43 -1.08 -1.95 118.68 117.60 1oqa s LEU 11 Ca 0.08 -1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 52.05 1oqa s LEU 11 Cb -0.02 0.21 0.08 0.00 0.03 0.00 0.00 46.19 46.49 1oqa s LEU 11 CO 0.45 -0.64 0.16 -1.61 0.23 0.00 0.00 176.35 174.94 1oqa s GLU 12 N -3.96 0.13 -0.15 1.70 2.02 0.10 0.14 118.70 118.68 1oqa s GLU 12 Ca 0.14 0.06 0.01 0.00 0.02 0.00 0.00 54.97 55.20 1oqa s GLU 12 Cb 0.08 -1.49 0.00 0.00 0.10 0.00 0.00 34.13 32.82 1oqa s GLU 12 CO -0.05 -0.67 -0.18 0.42 0.02 0.00 0.00 175.26 174.80 1oqa s ILE 13 N 2.24 2.38 -0.16 -1.63 1.01 -0.50 0.16 121.20 124.70 1oqa s ILE 13 Ca 0.05 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 1oqa s ILE 13 Cb -0.16 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1oqa s ILE 13 CO -0.11 0.53 -0.02 0.00 0.00 0.00 0.00 174.94 175.34 1oqa s TYR 16 N 2.00 3.08 0.00 0.00 5.04 -0.86 -4.92 117.35 121.69 1oqa s TYR 16 Ca 0.11 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 1oqa s TYR 16 Cb -0.17 -3.31 0.00 0.00 0.35 0.00 0.00 41.96 38.84 1oqa s TYR 16 CO 0.12 -0.88 0.00 0.41 -1.34 0.00 0.00 175.55 173.85 1oqa n GLY 17 N 5.09 0.87 0.00 8.97 0.00 -1.26 -4.55 105.19 114.30 1oqa n GLY 17 Ca -0.04 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.23 1oqa n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1oqa n PRO 18 N 1.26 0.87 0.00 1.61 -0.04 -1.26 -4.93 135.00 132.51 1oqa n PRO 18 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1oqa n PRO 18 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1oqa n PRO 18 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1oqa n PHE 19 N -1.05 0.00 0.00 0.54 3.01 -1.26 -3.63 117.46 115.07 1oqa n PHE 19 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.68 1oqa n PHE 19 Cb 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 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 -2.22 4.37 -2.24 -1.26 -2.18 114.28 110.75 1oqa n THR 20 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1oqa n THR 20 Cb 0.00 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 67.78 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 -1.20 -0.53 -4.90 3.42 5.15 -1.24 -4.54 115.26 111.42 1oqa n ASN 21 Ca 0.00 -2.03 -0.32 0.00 -0.60 0.00 0.00 54.58 51.63 1oqa n ASN 21 Cb 0.00 0.19 -0.05 0.00 -0.53 0.00 0.00 39.78 39.39 1oqa n ASN 21 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1oqa s MET 22 N -0.13 3.55 0.58 1.20 1.75 -1.25 -4.98 119.30 120.03 1oqa s MET 22 Ca 0.09 -0.19 0.33 0.00 -1.25 0.00 0.00 55.69 54.67 1oqa s MET 22 Cb 0.15 -2.99 1.80 0.00 2.84 0.00 0.00 34.83 36.63 1oqa s MET 22 CO -0.05 0.58 2.00 -1.35 -0.65 0.00 0.00 175.02 175.55 1oqa h PRO 23 N 3.34 0.00 0.00 4.11 0.11 -2.00 -3.45 132.00 134.10 1oqa h PRO 23 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1oqa h PRO 23 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1oqa h PRO 23 CO 0.71 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 180.91 1oqa n THR 24 N -2.79 0.00 0.07 -1.15 -1.04 -1.26 -4.78 114.28 103.33 1oqa n THR 24 Ca -0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1oqa n THR 24 Cb 0.20 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.67 1oqa n THR 24 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1oqa h ASP 25 N 0.00 0.00 0.72 8.00 3.32 -2.00 -3.12 116.42 123.34 1oqa h ASP 25 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1oqa h ASP 25 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1oqa h ASP 25 CO 0.00 0.52 -0.82 -0.61 -1.72 0.00 0.00 179.24 176.62 1oqa h GLN 26 N 0.00 0.07 0.02 3.56 4.15 -1.95 -2.54 115.11 118.42 1oqa h GLN 26 Ca -0.09 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 1oqa h GLN 26 Cb 1.48 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.19 1oqa h GLN 26 CO 0.05 0.85 -0.01 1.25 -1.93 0.00 0.00 178.83 179.04 1oqa h LEU 27 N 0.04 -0.03 -2.15 -2.39 5.85 -1.96 -2.91 115.31 111.76 1oqa h LEU 27 Ca -0.02 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 1oqa h LEU 27 Cb 1.43 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 1oqa h LEU 27 CO 0.11 0.58 -0.04 1.05 -0.34 0.00 0.00 178.44 179.81 1oqa h GLU 28 N -0.65 0.00 -0.06 1.25 4.11 -1.61 -1.91 114.58 115.71 1oqa h GLU 28 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1oqa h GLU 28 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1oqa h GLU 28 CO 0.01 0.04 0.02 2.35 0.07 0.00 0.00 179.01 181.49 1oqa h TRP 29 N 0.00 0.10 -0.09 2.06 7.01 -1.39 -0.58 115.95 123.07 1oqa h TRP 29 Ca -0.00 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.03 1oqa h TRP 29 Cb 0.07 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.05 1oqa h TRP 29 CO 0.00 0.26 -0.34 0.52 -2.79 0.00 0.00 178.44 176.09 1oqa h MET 30 N -0.09 -0.43 -0.64 2.65 2.86 -1.15 0.57 114.93 118.70 1oqa h MET 30 Ca 0.02 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1oqa h MET 30 Cb 0.21 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 1oqa h MET 30 CO -0.00 -0.29 0.36 -0.39 1.06 0.00 0.00 176.91 177.65 1oqa h VAL 31 N -0.45 0.98 -0.70 -2.22 -1.51 -1.46 -0.40 116.25 110.49 1oqa h VAL 31 Ca 0.08 -0.23 0.01 0.00 -1.23 0.00 0.00 66.70 65.33 1oqa h VAL 31 Cb 0.57 0.25 -0.04 0.00 -2.13 0.00 0.00 31.29 29.95 1oqa h VAL 31 CO -0.33 0.12 0.47 1.56 -1.23 0.00 0.00 177.57 178.15 1oqa h GLN 32 N 0.67 0.90 0.00 5.19 4.20 -0.03 0.63 115.11 126.67 1oqa h GLN 32 Ca 0.28 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1oqa h GLN 32 Cb 0.16 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1oqa h GLN 32 CO -0.17 0.60 -0.05 1.25 -0.67 0.00 0.00 178.83 179.79 1oqa h LEU 33 N 0.93 0.00 -0.85 1.46 5.85 0.17 -2.56 115.31 120.30 1oqa h LEU 33 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1oqa h LEU 33 Cb -0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1oqa h LEU 33 CO -0.06 0.05 -0.22 0.00 -0.34 0.00 0.00 178.44 177.87 1oqa n GLY 35 N 1.32 1.73 3.81 0.00 0.00 -0.90 0.14 105.19 111.29 1oqa n GLY 35 Ca 0.13 0.00 -0.31 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 -2.00 4.23 -0.04 4.61 0.00 -0.39 -2.27 121.76 125.89 1oqa s ALA 36 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1oqa s ALA 36 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1oqa s ALA 36 CO 0.00 -0.17 -0.09 0.45 0.00 0.00 0.00 175.76 175.95 1oqa s SER 37 N -4.02 1.32 -0.13 0.00 0.15 0.37 -4.03 113.70 107.35 1oqa s SER 37 Ca 0.16 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.31 1oqa s SER 37 Cb 0.00 -0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 63.78 1oqa s SER 37 CO 0.09 0.03 1.43 0.54 1.20 0.00 0.00 173.24 176.53 1oqa s VAL 38 N 0.51 3.98 -0.21 4.45 0.11 -1.26 -1.41 120.40 126.57 1oqa s VAL 38 Ca -0.09 1.18 -0.16 0.00 -2.93 0.00 0.00 61.98 59.98 1oqa s VAL 38 Cb -0.12 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.90 1oqa s VAL 38 CO 0.01 -0.14 0.42 -0.69 -3.33 0.00 0.00 175.10 171.38 1oqa s VAL 39 N 3.85 5.17 0.20 2.04 1.01 -1.18 -4.95 120.40 126.55 1oqa s VAL 39 Ca 0.63 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 63.24 1oqa s VAL 39 Cb -0.26 -3.75 0.12 0.00 0.00 0.00 0.00 36.38 32.49 1oqa s VAL 39 CO 0.21 0.22 1.77 0.11 0.00 0.00 0.00 175.10 177.41 1oqa h LYS 40 N 7.50 0.47 0.00 2.72 1.57 -1.93 -3.42 116.57 123.48 1oqa h LYS 40 Ca -0.35 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.09 1oqa h LYS 40 Cb 1.16 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.29 1oqa h LYS 40 CO 0.71 0.31 -0.21 0.39 -0.57 0.00 0.00 179.45 180.09 1oqa n GLU 41 N -4.92 0.61 -0.11 3.15 1.02 -1.26 -5.00 120.64 114.13 1oqa n GLU 41 Ca 0.07 -2.79 -0.11 0.00 -0.02 0.00 0.00 57.16 54.31 1oqa n GLU 41 Cb 0.20 2.59 -0.03 0.00 -0.02 0.00 0.00 31.44 34.18 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 0.62 -1.14 -4.62 3.38 -1.94 -2.74 115.31 108.86 1oqa h LEU 42 Ca -0.25 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1oqa h LEU 42 Cb 1.14 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1oqa h LEU 42 CO 0.35 0.83 0.00 -1.28 0.09 0.00 0.00 178.44 178.43 1oqa h SER 43 N 0.39 0.00 0.49 -0.43 0.87 -1.97 -2.77 113.55 110.13 1oqa h SER 43 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1oqa h SER 43 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1oqa h SER 43 CO 0.03 0.00 0.00 0.28 -0.53 0.00 0.00 176.83 176.61 1oqa h SER 44 N 0.00 0.00 -1.34 6.23 0.02 -1.88 -3.43 113.55 113.14 1oqa h SER 44 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 1oqa h SER 44 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1oqa h SER 44 CO 0.00 0.00 1.29 0.49 -1.14 0.00 0.00 176.83 177.47 1oqa n PHE 45 N -2.67 1.80 -2.83 3.45 3.72 -1.05 -4.94 117.46 114.95 1oqa n PHE 45 Ca -0.00 0.26 -0.21 0.00 -0.05 0.00 0.00 57.45 57.44 1oqa n PHE 45 Cb 0.17 -2.55 0.08 0.00 -0.94 0.00 0.00 39.48 36.24 1oqa n PHE 45 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1oqa s THR 46 N 6.24 2.21 0.14 4.37 -4.23 -1.26 -5.12 115.64 117.98 1oqa s THR 46 Ca 1.05 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 1oqa s THR 46 Cb -0.85 -2.40 -0.00 0.00 1.34 0.00 0.00 72.50 70.59 1oqa s THR 46 CO 0.52 0.00 0.02 -0.11 -0.54 0.00 0.00 174.62 174.50 1oqa n LEU 47 N -2.48 0.00 0.00 4.79 7.94 -1.26 -4.87 117.00 121.12 1oqa n LEU 47 Ca 0.15 -0.94 0.00 0.00 -1.11 0.00 0.00 56.01 54.11 1oqa n LEU 47 Cb 0.61 0.19 0.00 0.00 0.53 0.00 0.00 43.42 44.74 1oqa n LEU 47 CO 0.41 -0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.16 1oqa n GLY 48 N 2.49 -0.20 1.29 -3.96 0.00 -1.26 -4.98 105.19 98.57 1oqa n GLY 48 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.20 -3.43 2.61 -2.24 -1.26 -4.93 114.28 105.23 1oqa n THR 49 Ca 0.00 0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.52 1oqa n THR 49 Cb 0.00 -1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 66.94 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 2.65 4.66 3.42 3.38 0.00 -1.26 -5.01 105.19 113.03 1oqa n GLY 50 Ca 0.00 -2.69 -0.13 0.00 0.00 0.00 0.00 46.02 43.20 1oqa n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oqa s VAL 51 N -2.20 -0.00 -0.10 1.61 1.01 -1.23 -4.21 120.40 115.28 1oqa s VAL 51 Ca 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1oqa s VAL 51 Cb 0.06 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1oqa s VAL 51 CO -0.03 0.00 -0.05 -2.28 0.00 0.00 0.00 175.10 172.75 1oqa s HIS 52 N 0.45 1.15 0.09 5.22 2.46 -0.82 -4.92 115.29 118.92 1oqa s HIS 52 Ca -0.01 -0.50 -0.30 0.00 0.47 0.00 0.00 55.06 54.71 1oqa s HIS 52 Cb -0.04 -1.06 -0.05 0.00 -0.13 0.00 0.00 32.58 31.30 1oqa s HIS 52 CO -0.02 -0.44 1.01 -1.25 -2.47 0.00 0.00 174.74 171.58 1oqa s PRO 53 N 1.80 4.62 0.01 2.88 0.04 -1.26 0.01 135.00 143.10 1oqa s PRO 53 Ca 0.05 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1oqa s PRO 53 Cb -0.12 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 1oqa s PRO 53 CO -0.07 0.08 -0.02 0.42 0.04 0.00 0.00 177.00 177.45 1oqa s ILE 54 N 0.32 0.10 -0.03 0.56 -1.09 0.42 -4.27 121.20 117.21 1oqa s ILE 54 Ca 0.50 -0.61 0.06 0.00 -2.23 0.00 0.00 60.65 58.36 1oqa s ILE 54 Cb -0.24 -0.19 -0.01 0.00 -1.58 0.00 0.00 42.46 40.43 1oqa s ILE 54 CO 0.30 -0.33 -0.20 -0.69 -1.23 0.00 0.00 174.94 172.80 1oqa s VAL 55 N -0.97 1.59 0.22 2.92 1.01 0.15 -0.83 120.40 124.48 1oqa s VAL 55 Ca -0.10 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1oqa s VAL 55 Cb -0.07 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1oqa s VAL 55 CO -0.01 0.45 -0.17 -0.69 0.00 0.00 0.00 175.10 174.68 1oqa s VAL 56 N -0.30 1.99 0.35 2.92 1.01 0.08 0.16 120.40 126.61 1oqa s VAL 56 Ca 0.03 -2.21 -0.09 0.00 0.00 0.00 0.00 61.98 59.72 1oqa s VAL 56 Cb -0.09 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1oqa s VAL 56 CO 0.00 -0.47 0.59 -0.69 0.00 0.00 0.00 175.10 174.53 1oqa s VAL 57 N -2.63 0.00 -0.31 2.92 1.01 0.52 -2.02 120.40 119.89 1oqa s VAL 57 Ca 0.23 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 1oqa s VAL 57 Cb -0.03 -2.67 0.20 0.00 0.00 0.00 0.00 36.38 33.88 1oqa s VAL 57 CO 0.09 0.00 1.15 -1.58 0.00 0.00 0.00 175.10 174.76 1oqa s GLN 58 N -2.91 0.04 -0.09 2.72 -0.44 -1.26 -3.01 119.66 114.71 1oqa s GLN 58 Ca 0.24 -0.02 -0.29 0.00 -2.50 0.00 0.00 55.36 52.79 1oqa s GLN 58 Cb -0.02 0.00 -0.06 0.00 -1.64 0.00 0.00 33.01 31.29 1oqa s GLN 58 CO 0.16 -0.05 1.87 -1.25 0.50 0.00 0.00 175.29 176.52 1oqa s PRO 59 N 1.68 3.87 0.00 1.67 0.04 -1.26 -4.27 135.00 136.74 1oqa s PRO 59 Ca 0.17 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1oqa s PRO 59 Cb 0.08 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1oqa s PRO 59 CO -0.15 -1.24 0.00 -3.47 0.04 0.00 0.00 177.00 172.18 1oqa n ASP 60 N 8.48 0.00 -1.10 6.66 2.03 -1.25 -4.97 116.55 126.40 1oqa n ASP 60 Ca 0.21 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.48 1oqa n ASP 60 Cb 0.43 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.99 1oqa n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oqa n ALA 61 N -0.49 4.21 0.08 -1.67 0.00 -0.93 -4.69 120.51 117.03 1oqa n ALA 61 Ca 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 53.44 49.96 1oqa n ALA 61 Cb 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 19.45 18.99 1oqa n ALA 61 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1oqa h TRP 62 N 1.30 0.29 0.00 0.00 4.06 -1.88 -3.44 115.95 116.28 1oqa h TRP 62 Ca 0.15 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1oqa h TRP 62 Cb 1.26 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 1oqa h TRP 62 CO 0.86 0.95 0.00 2.41 -3.56 0.00 0.00 178.44 179.10 1oqa n THR 63 N -3.68 0.00 -3.03 1.49 -1.04 -1.26 -4.78 114.28 101.98 1oqa n THR 63 Ca -0.03 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.58 1oqa n THR 63 Cb 0.79 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.25 1oqa n THR 63 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1oqa s GLU 64 N 0.00 4.44 -1.10 -2.82 0.41 -1.26 -5.00 118.70 113.36 1oqa s GLU 64 Ca 0.00 0.90 -0.08 0.00 -0.41 0.00 0.00 54.97 55.38 1oqa s GLU 64 Cb 0.00 -3.45 0.28 0.00 -1.78 0.00 0.00 34.13 29.19 1oqa s GLU 64 CO 0.00 0.06 1.19 -0.25 -0.49 0.00 0.00 175.26 175.76 1oqa n ASP 65 N 3.80 5.68 0.09 -0.19 8.00 -1.26 -4.79 116.55 127.88 1oqa n ASP 65 Ca -0.01 -3.12 -0.23 0.00 0.71 0.00 0.00 54.79 52.14 1oqa n ASP 65 Cb 0.51 -1.34 -0.15 0.00 -0.02 0.00 0.00 41.12 40.12 1oqa n ASP 65 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1oqa h ASN 66 N 6.36 0.66 0.00 -2.24 -0.73 -1.97 -3.49 115.58 114.17 1oqa h ASN 66 Ca 0.18 -0.93 0.00 0.00 1.87 0.00 0.00 56.30 57.43 1oqa h ASN 66 Cb 0.81 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.19 1oqa h ASN 66 CO 1.08 1.63 0.00 0.61 -0.37 0.00 0.00 177.43 180.38 1oqa n GLY 67 N 1.73 2.47 1.26 1.57 0.00 -1.26 -5.02 105.19 105.94 1oqa n GLY 67 Ca -0.18 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 0.71 -1.86 1.61 7.35 -1.26 -4.59 117.46 119.42 1oqa n PHE 68 Ca 0.00 -0.36 -0.35 0.00 -0.76 0.00 0.00 57.45 55.98 1oqa n PHE 68 Cb 0.00 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 1oqa n PHE 68 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1oqa n HIS 69 N 1.59 2.26 -2.02 -5.13 8.25 -1.26 -4.00 115.22 114.92 1oqa n HIS 69 Ca 0.22 -2.45 -0.01 0.00 -0.26 0.00 0.00 57.72 55.22 1oqa n HIS 69 Cb 0.62 -1.58 0.00 0.00 1.12 0.00 0.00 29.99 30.16 1oqa n HIS 69 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oqa n ALA 70 N 1.13 -0.36 0.02 -1.41 0.00 -1.26 -5.03 120.51 113.60 1oqa n ALA 70 Ca 0.56 -0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.67 1oqa n ALA 70 Cb 0.36 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 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 1.21 1.00 0.00 0.00 1.08 -1.92 -1.67 117.51 117.21 1oqa h ILE 71 Ca -0.14 -1.32 -0.01 0.00 -0.39 0.00 0.00 64.86 63.00 1oqa h ILE 71 Cb 0.89 1.73 -0.00 0.00 -3.07 0.00 0.00 36.82 36.36 1oqa h ILE 71 CO -0.07 0.28 -0.05 1.23 -0.69 0.00 0.00 178.15 178.85 1oqa h GLY 72 N -0.85 0.00 1.16 5.37 0.00 -1.89 -0.34 103.07 106.52 1oqa h GLY 72 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1oqa h GLY 72 CO 0.02 0.00 -0.56 0.61 0.00 0.00 0.00 176.54 176.61 1oqa n GLN 73 N -4.17 0.21 -0.04 4.80 10.64 -1.23 -3.91 117.38 123.68 1oqa n GLN 73 Ca -0.03 0.06 -0.07 0.00 -1.83 0.00 0.00 57.00 55.14 1oqa n GLN 73 Cb 0.14 -1.63 -0.14 0.00 -0.86 0.00 0.00 30.24 27.75 1oqa n GLN 73 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 1oqa n MET 74 N -1.93 0.65 -4.38 2.61 2.81 -0.39 -4.95 117.12 111.53 1oqa n MET 74 Ca 0.04 0.17 -0.25 0.00 -1.81 0.00 0.00 57.70 55.84 1oqa n MET 74 Cb 0.41 -1.70 -0.10 0.00 -0.71 0.00 0.00 33.22 31.12 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 -0.29 3.01 -3.82 0.00 1.02 -1.26 -4.73 120.64 114.58 1oqa n GLU 76 Ca -0.09 -3.65 -0.09 0.00 -0.02 0.00 0.00 57.16 53.31 1oqa n GLU 76 Cb 0.58 -2.28 -0.04 0.00 -0.02 0.00 0.00 31.44 29.67 1oqa n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1oqa s ALA 77 N -3.78 -0.73 0.05 0.62 0.00 -1.26 -5.00 121.76 111.66 1oqa s ALA 77 Ca 0.58 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 1oqa s ALA 77 Cb 0.47 0.89 -0.08 0.00 0.00 0.00 0.00 23.12 24.40 1oqa s ALA 77 CO -0.06 -0.81 1.64 -1.25 0.00 0.00 0.00 175.76 175.28 1oqa s PRO 78 N -3.91 4.20 -0.15 0.00 0.04 -1.26 -4.63 135.00 129.30 1oqa s PRO 78 Ca 0.12 2.28 -0.18 0.00 0.04 0.00 0.00 61.00 63.27 1oqa s PRO 78 Cb -0.01 -3.66 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1oqa s PRO 78 CO 0.00 -0.74 0.46 0.08 0.04 0.00 0.00 177.00 176.84 1oqa s VAL 79 N 2.85 5.19 0.31 -0.36 1.01 -1.24 0.30 120.40 128.46 1oqa s VAL 79 Ca 0.73 0.88 0.02 0.00 0.00 0.00 0.00 61.98 63.62 1oqa s VAL 79 Cb -0.38 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1oqa s VAL 79 CO 0.32 0.30 0.33 0.68 0.00 0.00 0.00 175.10 176.72 1oqa s VAL 80 N 0.88 0.00 0.37 2.92 -7.23 0.12 -2.38 120.40 115.09 1oqa s VAL 80 Ca 0.24 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 1oqa s VAL 80 Cb -0.15 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1oqa s VAL 80 CO 0.09 0.00 0.55 0.42 -0.31 0.00 0.00 175.10 175.85 1oqa s THR 81 N -3.46 4.24 0.58 5.32 -4.23 -0.32 0.19 115.64 117.97 1oqa s THR 81 Ca 0.36 -0.75 0.36 0.00 -1.18 0.00 0.00 61.69 60.48 1oqa s THR 81 Cb 0.02 -3.52 0.36 0.00 1.34 0.00 0.00 72.50 70.70 1oqa s THR 81 CO 0.22 -0.28 2.09 0.08 -0.54 0.00 0.00 174.62 176.19 1oqa h ARG 82 N 0.71 0.00 -0.80 3.99 0.11 -1.90 -2.42 114.38 114.07 1oqa h ARG 82 Ca -0.47 0.00 0.19 0.00 0.10 0.00 0.00 59.98 59.80 1oqa h ARG 82 Cb 1.25 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.21 1oqa h ARG 82 CO 0.56 0.00 0.21 1.49 0.10 0.00 0.00 179.97 182.33 1oqa h GLU 83 N 0.00 0.26 0.39 0.08 4.81 -1.93 0.22 114.58 118.41 1oqa h GLU 83 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1oqa h GLU 83 Cb 0.30 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1oqa h GLU 83 CO 0.00 0.17 -0.38 2.35 -0.73 0.00 0.00 179.01 180.42 1oqa h TRP 84 N 0.26 -1.04 -0.78 0.92 7.01 -1.78 1.00 115.95 121.55 1oqa h TRP 84 Ca 0.47 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.59 1oqa h TRP 84 Cb 0.86 0.40 -0.08 0.00 -2.10 0.00 0.00 29.16 28.25 1oqa h TRP 84 CO -0.26 -0.54 0.41 0.28 -2.79 0.00 0.00 178.44 175.55 1oqa h VAL 85 N -0.80 0.83 0.02 2.65 2.07 -1.33 0.47 116.25 120.17 1oqa h VAL 85 Ca -0.03 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1oqa h VAL 85 Cb 0.71 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1oqa h VAL 85 CO -0.06 0.12 -0.01 0.25 0.02 0.00 0.00 177.57 177.89 1oqa h LEU 86 N 0.66 -0.03 -1.71 2.57 5.85 -0.20 0.39 115.31 122.84 1oqa h LEU 86 Ca 0.40 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1oqa h LEU 86 Cb 0.45 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1oqa h LEU 86 CO -0.29 0.49 0.18 -0.78 -0.34 0.00 0.00 178.44 177.70 1oqa h ASP 87 N -0.55 0.33 0.01 1.25 1.82 0.14 0.69 116.42 120.12 1oqa h ASP 87 Ca -0.00 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.58 1oqa h ASP 87 Cb 0.52 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1oqa h ASP 87 CO 0.01 0.24 -0.18 0.28 -1.61 0.00 0.00 179.24 177.98 1oqa h SER 88 N 0.39 0.14 0.78 2.28 0.02 -0.04 -2.84 113.55 114.27 1oqa h SER 88 Ca 0.10 -0.84 -0.07 0.00 -0.84 0.00 0.00 61.79 60.14 1oqa h SER 88 Cb -0.04 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1oqa h SER 88 CO -0.02 0.96 -0.33 0.58 -1.14 0.00 0.00 176.83 176.89 1oqa h VAL 89 N -0.67 0.82 0.22 2.27 2.07 -0.64 1.07 116.25 121.39 1oqa h VAL 89 Ca -0.03 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1oqa h VAL 89 Cb 1.00 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1oqa h VAL 89 CO 0.03 0.32 -0.10 0.00 0.02 0.00 0.00 177.57 177.84 1oqa h ALA 90 N 1.67 -0.29 -0.22 1.67 0.00 0.32 -3.32 119.26 119.10 1oqa h ALA 90 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1oqa h ALA 90 Cb 0.80 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1oqa h ALA 90 CO 0.04 -0.37 0.00 -0.11 0.00 0.00 0.00 179.25 178.81 1oqa n LEU 91 N -4.99 2.98 -3.01 0.00 0.00 -1.07 -5.02 117.00 105.89 1oqa n LEU 91 Ca -0.08 -1.17 -0.13 0.00 0.00 0.00 0.00 56.01 54.63 1oqa n LEU 91 Cb 0.26 -0.13 0.01 0.00 0.00 0.00 0.00 43.42 43.56 1oqa n LEU 91 CO 0.25 0.58 -0.19 -1.22 0.00 0.00 0.00 177.39 176.81 1oqa n TYR 92 N 1.23 -3.07 -3.65 1.96 4.01 0.36 -5.04 117.16 112.96 1oqa n TYR 92 Ca 0.17 1.28 0.02 0.00 -0.16 0.00 0.00 57.90 59.21 1oqa n TYR 92 Cb 0.56 -3.23 -0.06 0.00 -0.31 0.00 0.00 39.34 36.30 1oqa n TYR 92 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1oqa s GLN 93 N -2.21 0.04 -1.13 -0.72 -0.44 -0.55 -4.97 119.66 109.69 1oqa s GLN 93 Ca 0.21 0.07 -0.23 0.00 -2.50 0.00 0.00 55.36 52.91 1oqa s GLN 93 Cb -0.04 0.01 -0.12 0.00 -1.64 0.00 0.00 33.01 31.22 1oqa s GLN 93 CO 0.72 -0.01 1.95 0.00 0.50 0.00 0.00 175.29 178.45 1oqa s GLN 95 N 6.60 -1.66 0.53 0.00 -1.52 -1.26 -4.98 119.66 117.37 1oqa s GLN 95 Ca 0.69 0.54 -0.17 0.00 -1.95 0.00 0.00 55.36 54.47 1oqa s GLN 95 Cb 0.00 -1.49 -0.07 0.00 -0.22 0.00 0.00 33.01 31.23 1oqa s GLN 95 CO 0.14 -4.14 1.02 -1.21 -0.25 0.00 0.00 175.29 170.85 1oqa s GLU 96 N -4.70 3.71 -0.05 2.91 0.41 -1.26 -4.98 118.70 114.73 1oqa s GLU 96 Ca 0.69 1.13 0.17 0.00 -0.41 0.00 0.00 54.97 56.54 1oqa s GLU 96 Cb -0.20 -2.09 -0.21 0.00 -1.78 0.00 0.00 34.13 29.84 1oqa s GLU 96 CO 0.62 -0.48 0.53 1.28 -0.49 0.00 0.00 175.26 176.72 1oqa n LEU 97 N -1.58 0.52 0.09 1.80 4.32 -1.26 -4.13 117.00 116.77 1oqa n LEU 97 Ca 0.08 0.24 0.09 0.00 -0.02 0.00 0.00 56.01 56.39 1oqa n LEU 97 Cb 0.53 0.21 0.56 0.00 -1.62 0.00 0.00 43.42 43.10 1oqa n LEU 97 CO 0.45 0.29 1.13 -0.78 -1.22 0.00 0.00 177.39 177.26 1oqa h ASP 98 N 0.00 0.21 1.07 -1.43 3.58 -1.94 0.73 116.42 118.64 1oqa h ASP 98 Ca -0.29 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1oqa h ASP 98 Cb 1.81 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.81 1oqa h ASP 98 CO 0.04 0.14 0.00 0.74 -2.88 0.00 0.00 179.24 177.29 1oqa h THR 99 N 0.24 0.00 0.00 2.25 2.02 -1.99 -3.18 112.91 112.25 1oqa h THR 99 Ca 0.12 -0.43 -0.13 0.00 0.77 0.00 0.00 66.41 66.74 1oqa h THR 99 Cb 0.18 1.31 -0.29 0.00 -1.74 0.00 0.00 68.15 67.62 1oqa h THR 99 CO -0.02 0.00 -0.89 -1.22 0.37 0.00 0.00 175.52 173.75 1oqa n TYR 100 N -2.56 0.00 -3.23 3.16 4.01 0.26 -5.08 117.16 113.73 1oqa n TYR 100 Ca 0.03 -0.71 -0.20 0.00 -0.16 0.00 0.00 57.90 56.86 1oqa n TYR 100 Cb 0.32 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 -0.74 3.80 -0.34 7.72 0.20 0.23 -1.18 118.68 128.38 1oqa s LEU 101 Ca 0.34 -0.03 -0.01 0.00 0.69 0.00 0.00 54.13 55.12 1oqa s LEU 101 Cb 0.37 -2.89 0.12 0.00 -0.43 0.00 0.00 46.19 43.35 1oqa s LEU 101 CO -0.14 -0.59 0.16 0.27 -0.29 0.00 0.00 176.35 175.76 1oqa s ILE 102 N -2.35 0.71 0.00 6.68 -4.36 -1.00 -4.93 121.20 115.95 1oqa s ILE 102 Ca 0.47 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 1oqa s ILE 102 Cb -0.10 -1.53 0.00 0.00 1.25 0.00 0.00 42.46 42.08 1oqa s ILE 102 CO 0.34 -0.79 0.00 -0.81 0.24 0.00 0.00 174.94 173.92 1oqa n PRO 103 N 4.47 -0.07 -3.68 0.37 -0.04 -1.26 -4.87 135.00 129.93 1oqa n PRO 103 Ca 0.02 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.26 1oqa n PRO 103 Cb 0.39 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.82 1oqa n PRO 103 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1oqa s GLN 104 N -2.44 2.46 -0.26 0.54 2.00 -1.26 -5.05 119.66 115.66 1oqa s GLN 104 Ca 0.00 -1.62 0.01 0.00 -2.00 0.00 0.00 55.36 51.75 1oqa s GLN 104 Cb 0.00 -2.29 0.07 0.00 0.80 0.00 0.00 33.01 31.59 1oqa s GLN 104 CO 0.00 -0.21 -0.02 0.96 -0.50 0.00 0.00 175.29 175.53 1oqa s ILE 105 N -2.51 1.50 0.51 -2.34 -4.36 -1.26 -5.12 121.20 107.62 1oqa s ILE 105 Ca 0.46 -1.37 -0.20 0.00 -0.26 0.00 0.00 60.65 59.28 1oqa s ILE 105 Cb -0.02 -1.86 -0.09 0.00 1.25 0.00 0.00 42.46 41.74 1oqa s ILE 105 CO 0.27 -0.25 0.70 -2.65 0.24 0.00 0.00 174.94 173.24 1oqa n PRO 106 N 4.66 0.75 0.05 0.37 -0.02 -1.26 -4.82 135.00 134.73 1oqa n PRO 106 Ca -0.08 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1oqa n PRO 106 Cb 0.44 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1oqa n PRO 106 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1oqa n HIS 107 N -1.28 -2.30 -3.61 6.00 -0.00 -1.26 -5.17 115.22 107.60 1oqa n HIS 107 Ca 0.11 0.37 -0.01 0.00 0.46 0.00 0.00 57.72 58.66 1oqa n HIS 107 Cb 0.44 1.17 -0.01 0.00 -0.12 0.00 0.00 29.99 31.47 1oqa n HIS 107 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1oqa s SER 108 N -2.00 -0.08 0.20 0.26 1.04 -1.26 -5.14 113.70 106.72 1oqa s SER 108 Ca 0.00 -0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.06 1oqa s SER 108 Cb 0.00 0.13 -0.09 0.00 0.10 0.00 0.00 66.02 66.16 1oqa s SER 108 CO 0.00 -0.23 1.35 -1.38 0.98 0.00 0.00 173.24 173.96 1oqa s HIS 109 N -2.36 3.20 0.00 5.02 -3.43 -1.26 -5.19 115.29 111.26 1oqa s HIS 109 Ca 0.12 1.14 0.00 0.00 -0.80 0.00 0.00 55.06 55.52 1oqa s HIS 109 Cb 0.02 -3.67 0.00 0.00 -1.43 0.00 0.00 32.58 27.51 1oqa s HIS 109 CO -0.04 -2.14 0.08 0.98 -2.00 0.00 0.00 174.74 171.62