#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqa s SER 2 N 0.00 4.12 0.77 1.61 0.01 -1.26 -5.11 113.70 113.84 1oqa s SER 2 Ca 0.00 -2.92 -0.11 0.00 1.31 0.00 0.00 55.95 54.23 1oqa s SER 2 Cb 0.00 -1.45 0.06 0.00 0.21 0.00 0.00 66.02 64.83 1oqa s SER 2 CO 0.00 -0.24 1.09 -1.10 0.41 0.00 0.00 173.24 173.40 1oqa s GLN 3 N -0.12 2.28 -0.15 12.44 1.11 -1.26 -5.01 119.66 128.96 1oqa s GLN 3 Ca 0.17 0.72 0.10 0.00 0.01 0.00 0.00 55.36 56.36 1oqa s GLN 3 Cb -0.25 -1.93 -0.16 0.00 -1.01 0.00 0.00 33.01 29.66 1oqa s GLN 3 CO -0.00 -1.50 0.00 -0.25 0.01 0.00 0.00 175.29 173.55 1oqa n ASP 4 N -3.36 1.82 -2.87 5.90 9.92 -1.26 -5.08 116.55 121.62 1oqa n ASP 4 Ca 0.07 -0.02 -0.08 0.00 -0.53 0.00 0.00 54.79 54.22 1oqa n ASP 4 Cb 0.56 0.58 0.01 0.00 -0.64 0.00 0.00 41.12 41.63 1oqa n ASP 4 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1oqa n ARG 5 N -2.63 -2.54 -2.69 -1.24 1.74 -1.26 -4.95 116.66 103.10 1oqa n ARG 5 Ca -0.25 2.19 -0.41 0.00 -0.77 0.00 0.00 57.85 58.62 1oqa n ARG 5 Cb 0.92 -5.33 -0.05 0.00 -1.02 0.00 0.00 32.46 26.98 1oqa n ARG 5 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1oqa s LYS 6 N -2.40 4.75 0.41 5.56 -0.14 -1.26 -4.95 119.74 121.71 1oqa s LYS 6 Ca 0.21 1.53 0.22 0.00 -1.36 0.00 0.00 55.97 56.57 1oqa s LYS 6 Cb -0.05 -3.31 0.36 0.00 -1.68 0.00 0.00 37.83 33.15 1oqa s LYS 6 CO 0.77 0.32 1.61 -0.84 -0.76 0.00 0.00 175.35 176.45 1oqa h ILE 7 N 3.55 0.20 0.04 2.17 -0.00 -1.03 -3.29 117.51 119.15 1oqa h ILE 7 Ca -0.44 -1.23 -0.35 0.00 -0.00 0.00 0.00 64.86 62.85 1oqa h ILE 7 Cb 1.21 2.05 -0.05 0.00 -0.00 0.00 0.00 36.82 40.03 1oqa h ILE 7 CO 0.70 0.11 -2.06 0.49 -0.00 0.00 0.00 178.15 177.39 1oqa n PHE 8 N -3.13 0.72 -2.16 0.16 3.72 0.24 -4.27 117.46 112.72 1oqa n PHE 8 Ca 0.03 0.20 -0.17 0.00 -0.05 0.00 0.00 57.45 57.47 1oqa n PHE 8 Cb 0.56 -1.11 0.02 0.00 -0.94 0.00 0.00 39.48 38.00 1oqa n PHE 8 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1oqa n ARG 9 N -3.16 -0.81 -0.98 -1.08 -4.01 -1.24 -3.96 116.66 101.41 1oqa n ARG 9 Ca -0.30 0.58 0.00 0.00 -1.04 0.00 0.00 57.85 57.09 1oqa n ARG 9 Cb 1.06 -0.86 0.00 0.00 -3.04 0.00 0.00 32.46 29.62 1oqa n ARG 9 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1oqa n GLY 10 N -0.16 0.03 3.12 2.89 0.00 -1.14 -4.87 105.19 105.06 1oqa n GLY 10 Ca -0.05 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.17 1.62 -0.12 0.99 0.20 -1.24 -2.38 118.68 116.58 1oqa s LEU 11 Ca 0.00 -0.36 -0.00 0.00 0.69 0.00 0.00 54.13 54.45 1oqa s LEU 11 Cb 0.00 0.69 0.03 0.00 -0.43 0.00 0.00 46.19 46.48 1oqa s LEU 11 CO 0.00 -0.46 -0.08 -1.61 -0.29 0.00 0.00 176.35 173.91 1oqa s GLU 12 N -2.06 1.59 -0.10 1.98 2.02 -0.51 0.16 118.70 121.78 1oqa s GLU 12 Ca -0.09 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.60 1oqa s GLU 12 Cb -0.04 -1.66 0.02 0.00 0.10 0.00 0.00 34.13 32.55 1oqa s GLU 12 CO -0.02 -0.28 -0.09 0.42 0.02 0.00 0.00 175.26 175.31 1oqa s ILE 13 N 1.68 1.08 -0.09 -1.63 1.01 -0.79 0.15 121.20 122.62 1oqa s ILE 13 Ca 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 1oqa s ILE 13 Cb -0.13 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1oqa s ILE 13 CO -0.08 0.37 -0.06 0.00 0.00 0.00 0.00 174.94 175.16 1oqa s TYR 16 N 2.37 3.13 0.00 0.00 5.04 -1.14 -4.92 117.35 121.83 1oqa s TYR 16 Ca 0.13 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1oqa s TYR 16 Cb -0.19 -3.09 0.00 0.00 0.35 0.00 0.00 41.96 39.03 1oqa s TYR 16 CO 0.12 -0.71 0.00 0.41 -1.34 0.00 0.00 175.55 174.03 1oqa n GLY 17 N 4.96 0.72 0.09 8.97 0.00 -1.26 -4.48 105.19 114.20 1oqa n GLY 17 Ca -0.04 -1.88 0.15 0.00 0.00 0.00 0.00 46.02 44.25 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 1.06 1.07 0.00 1.61 -0.04 -1.26 -4.94 135.00 132.50 1oqa n PRO 18 Ca 0.00 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 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 -0.81 0.00 0.00 0.54 3.01 -1.26 -3.62 117.46 115.32 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 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 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 -2.66 4.37 -2.24 -1.26 -2.32 114.28 110.16 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 -0.20 0.06 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.98 -1.23 -3.77 3.42 5.15 -1.24 -4.67 115.26 110.94 1oqa n ASN 21 Ca 0.00 -1.34 -0.09 0.00 -0.60 0.00 0.00 54.58 52.54 1oqa n ASN 21 Cb 0.00 0.64 -0.04 0.00 -0.53 0.00 0.00 39.78 39.85 1oqa n ASN 21 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1oqa s MET 22 N 0.42 1.40 -0.35 1.20 -1.94 -1.26 -5.11 119.30 113.66 1oqa s MET 22 Ca 0.25 -0.91 -0.27 0.00 -1.71 0.00 0.00 55.69 53.05 1oqa s MET 22 Cb 0.18 0.51 -0.06 0.00 2.01 0.00 0.00 34.83 37.48 1oqa s MET 22 CO -0.09 -0.59 2.29 -1.25 -0.01 0.00 0.00 175.02 175.37 1oqa s PRO 23 N -3.89 2.66 0.48 2.03 0.04 -1.26 -4.81 135.00 130.25 1oqa s PRO 23 Ca 0.10 1.72 0.32 0.00 0.04 0.00 0.00 61.00 63.18 1oqa s PRO 23 Cb -0.01 -4.47 1.73 0.00 0.04 0.00 0.00 34.50 31.79 1oqa s PRO 23 CO -0.02 -2.65 1.99 1.15 0.04 0.00 0.00 177.00 177.52 1oqa h THR 24 N 7.39 0.00 0.00 1.26 2.02 -1.97 0.16 112.91 121.77 1oqa h THR 24 Ca -0.33 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1oqa h THR 24 Cb 1.25 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1oqa h THR 24 CO 1.05 0.00 -0.25 0.44 0.37 0.00 0.00 175.52 177.13 1oqa h ASP 25 N 0.00 0.00 0.65 4.18 5.19 -2.00 -3.12 116.42 121.32 1oqa h ASP 25 Ca 0.00 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.20 1oqa h ASP 25 Cb 0.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1oqa h ASP 25 CO 0.00 0.06 -0.93 -0.61 -3.12 0.00 0.00 179.24 174.64 1oqa h GLN 26 N 0.00 0.17 0.01 3.56 4.15 -1.07 -2.72 115.11 119.21 1oqa h GLN 26 Ca -0.00 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.21 1oqa h GLN 26 Cb 1.05 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1oqa h GLN 26 CO 0.01 0.98 -0.00 1.25 -1.93 0.00 0.00 178.83 179.13 1oqa h LEU 27 N 0.08 -0.01 -2.15 -2.39 5.85 -1.54 -2.77 115.31 112.38 1oqa h LEU 27 Ca -0.05 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1oqa h LEU 27 Cb 1.58 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 1oqa h LEU 27 CO 0.14 0.53 -0.03 1.05 -0.34 0.00 0.00 178.44 179.78 1oqa h GLU 28 N -0.54 0.00 0.03 1.25 4.11 -1.63 -2.06 114.58 115.74 1oqa h GLU 28 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1oqa h GLU 28 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1oqa h GLU 28 CO 0.00 0.03 -0.01 2.35 0.07 0.00 0.00 179.01 181.45 1oqa h TRP 29 N 0.00 -0.04 -0.34 2.06 7.01 -1.38 -0.26 115.95 123.01 1oqa h TRP 29 Ca -0.00 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.07 1oqa h TRP 29 Cb 0.07 0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 27.07 1oqa h TRP 29 CO 0.00 0.24 -0.17 0.52 -2.79 0.00 0.00 178.44 176.24 1oqa h MET 30 N -0.32 -0.12 -0.39 2.65 2.86 -1.09 0.62 114.93 119.15 1oqa h MET 30 Ca -0.00 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1oqa h MET 30 Cb 0.30 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1oqa h MET 30 CO 0.01 -0.08 0.20 -0.39 1.06 0.00 0.00 176.91 177.71 1oqa h VAL 31 N -0.12 1.16 -0.62 -2.22 -1.51 -1.46 -2.00 116.25 109.48 1oqa h VAL 31 Ca 0.17 -0.42 0.04 0.00 -1.23 0.00 0.00 66.70 65.26 1oqa h VAL 31 Cb 0.38 0.73 -0.04 0.00 -2.13 0.00 0.00 31.29 30.24 1oqa h VAL 31 CO -0.41 0.16 0.41 1.56 -1.23 0.00 0.00 177.57 178.06 1oqa h GLN 32 N 0.49 0.69 0.00 5.19 1.08 -0.02 0.12 115.11 122.67 1oqa h GLN 32 Ca 0.13 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1oqa h GLN 32 Cb 0.08 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1oqa h GLN 32 CO -0.02 0.46 -0.05 1.25 -0.95 0.00 0.00 178.83 179.52 1oqa h LEU 33 N 0.71 0.00 -0.85 1.46 5.85 0.90 -2.60 115.31 120.78 1oqa h LEU 33 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1oqa h LEU 33 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1oqa h LEU 33 CO -0.07 0.05 -0.21 0.00 -0.34 0.00 0.00 178.44 177.87 1oqa n GLY 35 N 1.31 1.94 3.48 0.00 0.00 -0.98 0.80 105.19 111.75 1oqa n GLY 35 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1oqa n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oqa n ALA 36 N -0.18 -2.01 -3.16 4.61 0.00 -0.60 -2.88 120.51 116.29 1oqa n ALA 36 Ca 0.00 -1.58 -0.18 0.00 0.00 0.00 0.00 53.44 51.68 1oqa n ALA 36 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 19.45 19.21 1oqa n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1oqa s SER 37 N -5.11 0.81 -0.16 0.00 0.15 0.42 -4.02 113.70 105.80 1oqa s SER 37 Ca 0.69 -0.12 -0.29 0.00 0.70 0.00 0.00 55.95 56.93 1oqa s SER 37 Cb -0.03 -0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.01 1oqa s SER 37 CO 0.50 0.02 1.44 0.54 1.20 0.00 0.00 173.24 176.94 1oqa s VAL 38 N 0.34 3.96 -0.28 4.45 0.11 -1.26 -1.89 120.40 125.83 1oqa s VAL 38 Ca -0.04 1.14 -0.17 0.00 -2.93 0.00 0.00 61.98 59.98 1oqa s VAL 38 Cb -0.08 -3.80 -0.03 0.00 -1.53 0.00 0.00 36.38 30.94 1oqa s VAL 38 CO -0.00 -0.18 0.46 -0.69 -3.33 0.00 0.00 175.10 171.37 1oqa s VAL 39 N 4.05 5.09 0.22 2.04 1.01 -1.18 -4.96 120.40 126.68 1oqa s VAL 39 Ca 0.63 0.64 -0.08 0.00 0.00 0.00 0.00 61.98 63.17 1oqa s VAL 39 Cb -0.25 -3.81 0.17 0.00 0.00 0.00 0.00 36.38 32.49 1oqa s VAL 39 CO 0.22 0.04 1.85 0.50 0.00 0.00 0.00 175.10 177.71 1oqa h LYS 40 N 8.17 0.88 -4.04 2.72 1.63 -1.94 -3.42 116.57 120.58 1oqa h LYS 40 Ca -0.30 -0.05 -0.24 0.00 -0.85 0.00 0.00 60.65 59.21 1oqa h LYS 40 Cb 1.14 -0.20 -0.08 0.00 -0.60 0.00 0.00 32.23 32.50 1oqa h LYS 40 CO 0.70 0.59 -0.18 -1.21 -3.45 0.00 0.00 179.45 175.90 1oqa s GLU 41 N -6.10 1.86 0.06 1.90 0.41 -1.26 -5.01 118.70 110.57 1oqa s GLU 41 Ca -0.13 -1.69 -0.20 0.00 -0.41 0.00 0.00 54.97 52.55 1oqa s GLU 41 Cb 0.17 0.45 -0.11 0.00 -1.78 0.00 0.00 34.13 32.85 1oqa s GLU 41 CO 0.78 -0.77 1.45 -0.07 -0.49 0.00 0.00 175.26 176.16 1oqa h LEU 42 N 2.14 0.36 -2.44 1.80 3.38 -1.98 -2.75 115.31 115.83 1oqa h LEU 42 Ca -0.28 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.34 1oqa h LEU 42 Cb 1.24 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1oqa h LEU 42 CO 0.39 0.65 0.13 -1.28 0.09 0.00 0.00 178.44 178.41 1oqa h SER 43 N 0.08 0.00 0.42 -0.43 0.87 -1.97 0.39 113.55 112.91 1oqa h SER 43 Ca 0.05 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1oqa h SER 43 Cb 0.49 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1oqa h SER 43 CO 0.02 0.00 -0.12 0.28 -0.53 0.00 0.00 176.83 176.48 1oqa h SER 44 N 0.00 0.00 -2.28 6.23 0.02 -1.89 -3.43 113.55 112.19 1oqa h SER 44 Ca 0.04 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.41 1oqa h SER 44 Cb 0.29 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.88 1oqa h SER 44 CO -0.00 0.12 0.86 0.49 -1.14 0.00 0.00 176.83 177.15 1oqa n PHE 45 N -3.58 2.32 -4.28 3.45 3.72 0.12 -4.98 117.46 114.23 1oqa n PHE 45 Ca -0.02 0.21 -0.22 0.00 -0.05 0.00 0.00 57.45 57.37 1oqa n PHE 45 Cb 0.25 -2.57 -0.16 0.00 -0.94 0.00 0.00 39.48 36.05 1oqa n PHE 45 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1oqa s THR 46 N 1.35 0.75 -1.28 4.37 -1.32 -1.26 -5.07 115.64 113.18 1oqa s THR 46 Ca 0.80 -0.24 -0.17 0.00 -1.21 0.00 0.00 61.69 60.87 1oqa s THR 46 Cb -0.66 -0.74 0.10 0.00 -1.51 0.00 0.00 72.50 69.69 1oqa s THR 46 CO 0.39 0.27 1.66 0.18 -2.21 0.00 0.00 174.62 174.92 1oqa n LEU 47 N 4.03 5.06 0.00 9.08 4.32 -1.26 -4.85 117.00 133.38 1oqa n LEU 47 Ca -0.23 -4.08 0.00 0.00 -0.02 0.00 0.00 56.01 51.68 1oqa n LEU 47 Cb 0.51 -1.71 0.00 0.00 -1.62 0.00 0.00 43.42 40.60 1oqa n LEU 47 CO 0.23 0.33 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 1oqa n GLY 48 N 5.00 -0.85 0.50 -0.72 0.00 -1.26 -5.03 105.19 102.83 1oqa n GLY 48 Ca 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 1oqa n GLY 48 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1oqa n THR 49 N 0.00 0.13 -1.65 2.61 5.66 -1.26 -4.82 114.28 114.95 1oqa n THR 49 Ca 0.00 -0.04 0.06 0.00 -3.05 0.00 0.00 64.05 61.02 1oqa n THR 49 Cb 0.00 -1.08 0.15 0.00 -1.55 0.00 0.00 70.33 67.85 1oqa n THR 49 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1oqa n GLY 50 N 3.11 4.21 3.09 1.09 0.00 -1.26 -4.99 105.19 110.43 1oqa n GLY 50 Ca -0.04 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.49 2.15 -0.18 1.61 -7.23 -1.25 -4.24 120.40 108.77 1oqa s VAL 51 Ca 0.34 -1.43 -0.15 0.00 -1.81 0.00 0.00 61.98 58.93 1oqa s VAL 51 Cb 0.33 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 1oqa s VAL 51 CO -0.06 0.14 0.34 -2.28 -0.31 0.00 0.00 175.10 172.93 1oqa s HIS 52 N 1.16 3.42 0.16 2.82 2.46 -1.00 -4.27 115.29 120.05 1oqa s HIS 52 Ca -0.05 0.60 -0.30 0.00 0.47 0.00 0.00 55.06 55.78 1oqa s HIS 52 Cb -0.18 -2.43 -0.07 0.00 -0.13 0.00 0.00 32.58 29.77 1oqa s HIS 52 CO -0.07 0.12 1.09 -1.25 -2.47 0.00 0.00 174.74 172.16 1oqa s PRO 53 N 0.86 4.59 0.02 2.88 0.04 -1.26 -1.42 135.00 140.70 1oqa s PRO 53 Ca 0.18 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.88 1oqa s PRO 53 Cb -0.14 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1oqa s PRO 53 CO 0.06 0.07 0.05 0.42 0.04 0.00 0.00 177.00 177.64 1oqa s ILE 54 N -0.15 0.11 0.06 0.56 -1.09 0.40 -4.25 121.20 116.85 1oqa s ILE 54 Ca 0.50 -0.88 0.05 0.00 -2.23 0.00 0.00 60.65 58.08 1oqa s ILE 54 Cb -0.29 -0.44 -0.03 0.00 -1.58 0.00 0.00 42.46 40.12 1oqa s ILE 54 CO 0.34 -0.48 -0.14 -0.69 -1.23 0.00 0.00 174.94 172.74 1oqa s VAL 55 N -1.65 1.06 0.27 2.92 1.01 0.36 -2.54 120.40 121.83 1oqa s VAL 55 Ca -0.13 -1.23 0.12 0.00 0.00 0.00 0.00 61.98 60.74 1oqa s VAL 55 Cb -0.07 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1oqa s VAL 55 CO -0.01 -0.20 -0.20 -0.69 0.00 0.00 0.00 175.10 174.01 1oqa s VAL 56 N -1.20 2.41 0.32 2.92 1.01 -0.02 -0.47 120.40 125.37 1oqa s VAL 56 Ca -0.02 -2.37 -0.02 0.00 0.00 0.00 0.00 61.98 59.57 1oqa s VAL 56 Cb -0.10 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1oqa s VAL 56 CO 0.02 -0.40 0.46 1.33 0.00 0.00 0.00 175.10 176.50 1oqa n VAL 57 N -0.55 0.00 0.00 2.92 0.24 0.41 -2.87 118.33 118.48 1oqa n VAL 57 Ca -0.06 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 60.66 1oqa n VAL 57 Cb 0.60 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 1oqa n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1oqa n GLN 58 N -0.52 0.00 -2.15 7.34 1.13 -1.26 -2.97 117.38 118.95 1oqa n GLN 58 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 1oqa n GLN 58 Cb 0.53 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.86 1oqa n GLN 58 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1oqa s PRO 59 N 0.00 3.49 0.00 -1.09 0.04 -1.26 -4.16 135.00 132.02 1oqa s PRO 59 Ca 0.00 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1oqa s PRO 59 Cb 0.00 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1oqa s PRO 59 CO 0.00 -1.67 0.00 -3.47 0.04 0.00 0.00 177.00 171.90 1oqa n ASP 60 N 9.48 0.00 -1.83 6.66 2.03 -1.25 -4.97 116.55 126.67 1oqa n ASP 60 Ca 0.20 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.31 1oqa n ASP 60 Cb 0.47 0.03 0.06 0.00 -0.72 0.00 0.00 41.12 40.96 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 -1.07 4.95 0.23 -1.67 0.00 -0.98 -4.71 120.51 117.25 1oqa n ALA 61 Ca 0.00 -3.67 0.12 0.00 0.00 0.00 0.00 53.44 49.89 1oqa n ALA 61 Cb 0.00 -0.49 0.44 0.00 0.00 0.00 0.00 19.45 19.40 1oqa n ALA 61 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1oqa h TRP 62 N 1.95 0.00 0.00 0.00 7.01 -1.87 -3.42 115.95 119.62 1oqa h TRP 62 Ca 0.34 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.34 1oqa h TRP 62 Cb 1.41 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.47 1oqa h TRP 62 CO 0.91 0.15 0.00 2.41 -2.79 0.00 0.00 178.44 179.12 1oqa n THR 63 N -3.24 0.00 -2.41 2.65 -1.04 -1.26 -4.80 114.28 104.18 1oqa n THR 63 Ca 0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.77 1oqa n THR 63 Cb 0.44 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.99 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 2.61 -0.43 -2.82 0.41 -1.26 -5.06 118.70 112.15 1oqa s GLU 64 Ca 0.00 -0.26 0.07 0.00 -0.41 0.00 0.00 54.97 54.38 1oqa s GLU 64 Cb 0.00 -2.29 0.24 0.00 -1.78 0.00 0.00 34.13 30.30 1oqa s GLU 64 CO 0.00 -0.86 0.54 -0.25 -0.49 0.00 0.00 175.26 174.20 1oqa n ASP 65 N -2.63 0.68 -0.09 -0.19 8.00 -1.26 -4.94 116.55 116.13 1oqa n ASP 65 Ca 0.06 -2.79 -0.18 0.00 0.71 0.00 0.00 54.79 52.59 1oqa n ASP 65 Cb 0.59 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 40.93 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 4.14 0.00 0.00 -2.24 -0.73 -1.97 -3.48 115.58 111.30 1oqa h ASN 66 Ca 0.10 -0.74 0.00 0.00 1.87 0.00 0.00 56.30 57.53 1oqa h ASN 66 Cb 0.85 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.44 1oqa h ASN 66 CO 0.51 1.26 0.00 0.61 -0.37 0.00 0.00 177.43 179.44 1oqa n GLY 67 N 1.52 -0.47 0.24 1.57 0.00 -1.26 -5.03 105.19 101.76 1oqa n GLY 67 Ca -0.22 0.78 0.12 0.00 0.00 0.00 0.00 46.02 46.70 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 0.00 -1.30 1.61 -0.00 -1.26 -4.50 117.46 112.01 1oqa n PHE 68 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.15 1oqa n PHE 68 Cb 0.00 -0.11 -0.07 0.00 -0.00 0.00 0.00 39.48 39.30 1oqa n PHE 68 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.76 174.37 1oqa n HIS 69 N -0.71 1.66 -1.78 -5.13 1.44 -1.26 -3.53 115.22 105.91 1oqa n HIS 69 Ca 0.10 -2.52 -0.03 0.00 -2.01 0.00 0.00 57.72 53.26 1oqa n HIS 69 Cb 0.37 -2.09 -0.03 0.00 0.12 0.00 0.00 29.99 28.35 1oqa n HIS 69 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1oqa n ALA 70 N 2.90 1.15 0.10 1.59 0.00 -1.26 -4.98 120.51 120.01 1oqa n ALA 70 Ca 0.65 -0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.69 1oqa n ALA 70 Cb 0.46 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 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 2.52 0.00 0.00 0.00 1.08 -1.91 -2.57 117.51 116.63 1oqa h ILE 71 Ca -0.29 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.05 1oqa h ILE 71 Cb 0.97 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1oqa h ILE 71 CO -0.15 0.00 -0.05 1.23 -0.69 0.00 0.00 178.15 178.49 1oqa h GLY 72 N -0.39 0.00 2.00 5.37 0.00 -1.86 -2.30 103.07 105.89 1oqa h GLY 72 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1oqa h GLY 72 CO 0.04 0.00 -0.34 -1.61 0.00 0.00 0.00 176.54 174.64 1oqa h GLN 73 N 0.00 0.00 0.00 4.80 -0.00 -1.94 -3.16 115.11 114.82 1oqa h GLN 73 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.35 1oqa h GLN 73 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.96 1oqa h GLN 73 CO 0.01 0.34 -1.92 -1.33 0.00 0.00 0.00 178.83 175.92 1oqa n MET 74 N -3.49 0.65 -4.05 1.69 2.81 -0.97 -4.94 117.12 108.82 1oqa n MET 74 Ca -0.00 0.17 -0.25 0.00 -1.81 0.00 0.00 57.70 55.81 1oqa n MET 74 Cb 0.49 -1.69 -0.05 0.00 -0.71 0.00 0.00 33.22 31.26 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 -0.56 2.51 -4.10 0.00 4.07 -1.26 -4.72 120.64 116.58 1oqa n GLU 76 Ca -0.08 -3.21 -0.10 0.00 -0.06 0.00 0.00 57.16 53.71 1oqa n GLU 76 Cb 0.55 -2.22 -0.09 0.00 -0.06 0.00 0.00 31.44 29.62 1oqa n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1oqa s ALA 77 N -3.58 0.62 0.20 4.31 0.00 -1.26 -4.98 121.76 117.07 1oqa s ALA 77 Ca 0.60 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 1oqa s ALA 77 Cb 0.49 0.93 -0.08 0.00 0.00 0.00 0.00 23.12 24.46 1oqa s ALA 77 CO 0.04 -0.55 1.14 -1.25 0.00 0.00 0.00 175.76 175.14 1oqa s PRO 78 N -4.04 4.55 -0.20 0.00 0.04 -1.26 -4.72 135.00 129.38 1oqa s PRO 78 Ca 0.24 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 1oqa s PRO 78 Cb 0.06 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 1oqa s PRO 78 CO 0.03 0.02 0.04 0.08 0.04 0.00 0.00 177.00 177.21 1oqa s VAL 79 N -0.32 4.39 0.07 -0.36 1.01 -1.25 0.13 120.40 124.08 1oqa s VAL 79 Ca 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1oqa s VAL 79 Cb -0.31 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1oqa s VAL 79 CO 0.37 0.42 -0.05 0.68 0.00 0.00 0.00 175.10 176.52 1oqa s VAL 80 N 0.85 0.42 0.88 2.92 -7.23 0.38 -2.71 120.40 115.90 1oqa s VAL 80 Ca 0.02 -1.80 -0.12 0.00 -1.81 0.00 0.00 61.98 58.28 1oqa s VAL 80 Cb -0.14 -1.50 0.12 0.00 0.56 0.00 0.00 36.38 35.42 1oqa s VAL 80 CO 0.02 -0.91 1.10 0.42 -0.31 0.00 0.00 175.10 175.42 1oqa s THR 81 N -3.61 2.65 0.40 5.32 -4.23 -0.13 0.15 115.64 116.20 1oqa s THR 81 Ca 0.07 0.21 0.36 0.00 -1.18 0.00 0.00 61.69 61.16 1oqa s THR 81 Cb 0.06 -2.81 0.36 0.00 1.34 0.00 0.00 72.50 71.45 1oqa s THR 81 CO -0.07 -0.28 2.12 0.08 -0.54 0.00 0.00 174.62 175.93 1oqa h ARG 82 N -1.43 0.00 -0.92 3.99 -0.00 -1.89 -2.67 114.38 111.45 1oqa h ARG 82 Ca -0.49 0.00 0.22 0.00 -0.00 0.00 0.00 59.98 59.71 1oqa h ARG 82 Cb 1.29 0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 31.14 1oqa h ARG 82 CO 0.57 0.00 0.45 0.93 -0.00 0.00 0.00 179.97 181.92 1oqa h GLU 83 N 0.00 0.45 0.73 0.08 5.08 -1.90 0.29 114.58 119.30 1oqa h GLU 83 Ca 0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1oqa h GLU 83 Cb 0.05 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1oqa h GLU 83 CO 0.00 0.30 -0.35 2.35 -1.00 0.00 0.00 179.01 180.30 1oqa h TRP 84 N 0.46 -0.91 -0.85 4.33 7.01 -1.83 0.89 115.95 125.05 1oqa h TRP 84 Ca 0.57 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.67 1oqa h TRP 84 Cb 1.08 0.30 -0.06 0.00 -2.10 0.00 0.00 29.16 28.37 1oqa h TRP 84 CO -0.10 -0.56 0.55 0.28 -2.79 0.00 0.00 178.44 175.82 1oqa h VAL 85 N -1.00 0.89 0.07 2.65 2.07 -1.36 0.30 116.25 119.86 1oqa h VAL 85 Ca -0.10 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1oqa h VAL 85 Cb 0.76 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1oqa h VAL 85 CO 0.16 0.13 -0.03 0.25 0.02 0.00 0.00 177.57 178.10 1oqa h LEU 86 N 0.72 -0.08 -1.89 2.57 6.46 -0.21 -1.87 115.31 121.01 1oqa h LEU 86 Ca 0.41 -0.46 0.09 0.00 -0.12 0.00 0.00 57.88 57.80 1oqa h LEU 86 Cb 0.58 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1oqa h LEU 86 CO -0.17 0.60 0.27 -0.78 -0.62 0.00 0.00 178.44 177.74 1oqa h ASP 87 N -0.94 0.12 0.00 1.25 3.58 0.10 0.73 116.42 121.26 1oqa h ASP 87 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1oqa h ASP 87 Cb 0.53 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1oqa h ASP 87 CO 0.02 0.07 -0.00 0.28 -2.88 0.00 0.00 179.24 176.73 1oqa h SER 88 N 0.13 -0.00 0.79 2.28 0.02 -0.48 -2.85 113.55 113.43 1oqa h SER 88 Ca 0.18 -0.85 -0.07 0.00 -0.84 0.00 0.00 61.79 60.21 1oqa h SER 88 Cb 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1oqa h SER 88 CO -0.02 0.85 -0.34 0.58 -1.14 0.00 0.00 176.83 176.76 1oqa h VAL 89 N -0.86 0.84 0.27 2.27 2.07 -0.87 1.16 116.25 121.13 1oqa h VAL 89 Ca -0.00 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1oqa h VAL 89 Cb 0.85 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1oqa h VAL 89 CO 0.00 0.33 -0.13 0.00 0.02 0.00 0.00 177.57 177.79 1oqa h ALA 90 N 1.66 -0.36 0.00 1.67 0.00 0.38 -3.33 119.26 119.28 1oqa h ALA 90 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1oqa h ALA 90 Cb 0.82 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1oqa h ALA 90 CO 0.04 -0.40 -0.70 -0.11 0.00 0.00 0.00 179.25 178.09 1oqa n LEU 91 N -5.02 0.63 -2.28 0.00 7.94 -1.08 -5.02 117.00 112.18 1oqa n LEU 91 Ca -0.07 0.12 -0.04 0.00 -1.11 0.00 0.00 56.01 54.91 1oqa n LEU 91 Cb 0.24 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.02 1oqa n LEU 91 CO 0.22 0.01 -0.02 0.00 -1.11 0.00 0.00 177.39 176.48 1oqa n TYR 92 N -1.95 -2.10 -3.65 1.96 4.19 0.39 -5.06 117.16 110.95 1oqa n TYR 92 Ca 0.03 0.86 -0.02 0.00 3.31 0.00 0.00 57.90 62.09 1oqa n TYR 92 Cb 0.42 -3.01 -0.07 0.00 0.49 0.00 0.00 39.34 37.16 1oqa n TYR 92 CO 0.00 0.00 0.00 -1.14 0.91 0.00 0.00 176.86 176.63 1oqa s GLN 93 N -1.78 0.06 -0.99 2.98 -0.44 -0.63 -4.99 119.66 113.89 1oqa s GLN 93 Ca 0.12 0.08 -0.25 0.00 -2.50 0.00 0.00 55.36 52.81 1oqa s GLN 93 Cb -0.03 0.03 -0.13 0.00 -1.64 0.00 0.00 33.01 31.24 1oqa s GLN 93 CO 0.45 -0.01 2.11 0.00 0.50 0.00 0.00 175.29 178.34 1oqa n GLN 95 N 8.54 -2.64 -3.23 0.00 1.13 -1.26 -4.95 117.38 114.97 1oqa n GLN 95 Ca 0.43 -0.75 -0.40 0.00 -1.94 0.00 0.00 57.00 54.34 1oqa n GLN 95 Cb 0.46 -2.07 -0.08 0.00 0.11 0.00 0.00 30.24 28.66 1oqa n GLN 95 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1oqa s GLU 96 N -4.26 3.95 0.35 -1.09 1.03 -1.26 -4.95 118.70 112.47 1oqa s GLU 96 Ca 0.67 0.20 0.03 0.00 0.03 0.00 0.00 54.97 55.90 1oqa s GLU 96 Cb -0.23 -3.70 0.65 0.00 -0.80 0.00 0.00 34.13 30.05 1oqa s GLU 96 CO 0.66 -0.44 1.98 -0.07 -1.33 0.00 0.00 175.26 176.05 1oqa h LEU 97 N 8.90 0.64 -2.02 1.83 4.07 -1.95 -1.92 115.31 124.85 1oqa h LEU 97 Ca -0.29 -0.04 0.08 0.00 0.08 0.00 0.00 57.88 57.71 1oqa h LEU 97 Cb 1.13 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1oqa h LEU 97 CO 0.74 0.52 0.38 -0.78 -1.08 0.00 0.00 178.44 178.22 1oqa h ASP 98 N 0.73 0.00 1.92 -0.43 3.58 -1.95 0.55 116.42 120.81 1oqa h ASP 98 Ca 0.19 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1oqa h ASP 98 Cb 0.02 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1oqa h ASP 98 CO -0.03 0.00 -0.09 0.74 -2.88 0.00 0.00 179.24 176.98 1oqa h THR 99 N 0.00 0.04 -0.14 2.25 2.02 -1.77 -3.33 112.91 111.98 1oqa h THR 99 Ca 0.13 -1.05 -0.19 0.00 0.77 0.00 0.00 66.41 66.07 1oqa h THR 99 Cb 0.90 1.99 -0.32 0.00 -1.74 0.00 0.00 68.15 68.97 1oqa h THR 99 CO -0.00 0.02 -0.94 -1.22 0.37 0.00 0.00 175.52 173.75 1oqa n TYR 100 N -3.08 0.46 -3.09 3.16 4.01 0.15 -5.08 117.16 113.68 1oqa n TYR 100 Ca 0.04 -1.15 -0.19 0.00 -0.16 0.00 0.00 57.90 56.43 1oqa n TYR 100 Cb 0.54 -0.20 0.04 0.00 -0.31 0.00 0.00 39.34 39.41 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 -1.66 3.28 -0.48 7.72 0.20 0.13 -0.95 118.68 126.92 1oqa s LEU 101 Ca 0.35 -0.72 0.03 0.00 0.69 0.00 0.00 54.13 54.48 1oqa s LEU 101 Cb 0.37 -1.97 0.15 0.00 -0.43 0.00 0.00 46.19 44.31 1oqa s LEU 101 CO -0.11 -1.10 0.33 -0.63 -0.29 0.00 0.00 176.35 174.54 1oqa s ILE 102 N -2.56 1.27 0.00 6.68 1.09 -1.10 -4.92 121.20 121.65 1oqa s ILE 102 Ca 0.57 -2.90 0.00 0.00 -1.10 0.00 0.00 60.65 57.23 1oqa s ILE 102 Cb -0.07 -1.87 0.00 0.00 -1.06 0.00 0.00 42.46 39.46 1oqa s ILE 102 CO 0.36 -1.04 0.00 -0.81 -0.10 0.00 0.00 174.94 173.34 1oqa n PRO 103 N 3.00 0.40 0.00 2.79 -0.04 -1.26 -4.94 135.00 134.95 1oqa n PRO 103 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1oqa n PRO 103 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1oqa n PRO 103 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1oqa n GLN 104 N -0.82 0.00 -1.74 0.54 7.27 -1.26 -5.13 117.38 116.24 1oqa n GLN 104 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1oqa n GLN 104 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 1oqa n GLN 104 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 1oqa n ILE 105 N -0.89 1.43 0.03 1.69 -6.64 -1.26 -4.94 119.36 108.78 1oqa n ILE 105 Ca 0.00 -0.36 -0.19 0.00 -1.77 0.00 0.00 62.75 60.43 1oqa n ILE 105 Cb 0.00 -1.84 -0.13 0.00 -1.44 0.00 0.00 39.64 36.23 1oqa n ILE 105 CO 0.00 0.00 0.00 1.55 -1.77 0.00 0.00 176.55 176.33 1oqa h PRO 106 N 3.86 0.34 0.00 6.28 0.13 -2.07 -3.48 132.00 137.06 1oqa h PRO 106 Ca -0.48 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1oqa h PRO 106 Cb 1.25 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1oqa h PRO 106 CO 0.72 1.18 0.00 1.58 -0.23 0.00 0.00 178.00 181.25 1oqa n HIS 107 N -4.17 0.00 -4.13 1.56 -0.00 -1.26 -5.17 115.22 102.05 1oqa n HIS 107 Ca -0.12 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 57.88 1oqa n HIS 107 Cb 0.76 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.48 1oqa n HIS 107 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1oqa s SER 108 N -0.81 0.68 -0.14 0.26 0.01 -1.26 -5.14 113.70 107.30 1oqa s SER 108 Ca 0.00 -0.10 -0.03 0.00 1.31 0.00 0.00 55.95 57.13 1oqa s SER 108 Cb 0.00 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 1oqa s SER 108 CO 0.00 0.01 -0.02 -1.00 0.41 0.00 0.00 173.24 172.63 1oqa s HIS 109 N 0.36 3.07 -2.42 2.43 3.76 -1.26 -5.31 115.29 115.92 1oqa s HIS 109 Ca -0.04 -0.13 0.19 0.00 -0.15 0.00 0.00 55.06 54.94 1oqa s HIS 109 Cb -0.08 -1.92 0.15 0.00 1.11 0.00 0.00 32.58 31.85 1oqa s HIS 109 CO -0.00 0.12 1.11 0.98 -0.85 0.00 0.00 174.74 176.10