#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 6.35 0.00 1.61 0.15 -1.26 -4.68 113.70 115.87 1oqa s SER 2 Ca 0.00 -2.04 0.00 0.00 0.70 0.00 0.00 55.95 54.61 1oqa s SER 2 Cb 0.00 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1oqa s SER 2 CO 0.00 -0.78 0.00 0.00 1.20 0.00 0.00 173.24 173.66 1oqa n GLN 3 N 4.90 0.00 0.12 5.44 1.13 -1.26 -5.07 117.38 122.64 1oqa n GLN 3 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1oqa n GLN 3 Cb 0.42 -0.14 0.00 0.00 0.11 0.00 0.00 30.24 30.63 1oqa n GLN 3 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1oqa n ASP 4 N -2.20 -1.46 0.00 1.08 2.03 -1.26 -5.11 116.55 109.63 1oqa n ASP 4 Ca 0.00 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1oqa n ASP 4 Cb 0.00 1.53 0.00 0.00 -0.72 0.00 0.00 41.12 41.93 1oqa n ASP 4 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1oqa n ARG 5 N -3.06 0.00 -1.59 -0.67 0.00 -1.26 -5.17 116.66 104.91 1oqa n ARG 5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1oqa n ARG 5 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1oqa n ARG 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1oqa n LYS 6 N -1.99 -4.52 0.20 -0.14 4.76 -1.26 -4.46 118.16 110.75 1oqa n LYS 6 Ca 0.00 3.33 0.09 0.00 -2.87 0.00 0.00 58.31 58.85 1oqa n LYS 6 Cb 0.00 -3.71 0.26 0.00 -1.84 0.00 0.00 35.03 29.74 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 0.46 0.00 -0.18 3.07 -1.36 -3.33 117.51 118.19 1oqa h ILE 7 Ca 0.00 -1.39 -0.32 0.00 1.55 0.00 0.00 64.86 64.70 1oqa h ILE 7 Cb 0.00 2.02 -0.05 0.00 -0.27 0.00 0.00 36.82 38.52 1oqa h ILE 7 CO 0.00 0.23 -1.77 0.49 -1.05 0.00 0.00 178.15 176.05 1oqa n PHE 8 N -3.23 0.65 -3.07 0.16 3.72 0.16 -4.39 117.46 111.45 1oqa n PHE 8 Ca 0.02 0.27 -0.00 0.00 -0.05 0.00 0.00 57.45 57.69 1oqa n PHE 8 Cb 0.54 -1.07 -0.00 0.00 -0.94 0.00 0.00 39.48 38.02 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 -4.32 -1.11 -1.51 -1.08 0.63 -1.23 -4.57 116.66 103.46 1oqa n ARG 9 Ca -0.41 1.29 -0.00 0.00 -0.92 0.00 0.00 57.85 57.82 1oqa n ARG 9 Cb 0.77 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.62 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 1.20 -0.55 3.23 5.14 0.00 -1.22 -4.08 105.19 108.91 1oqa n GLY 10 Ca -0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.40 1.31 -0.18 0.99 1.43 -1.26 -2.77 118.68 116.81 1oqa s LEU 11 Ca 0.00 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 1oqa s LEU 11 Cb -0.00 1.09 0.07 0.00 0.03 0.00 0.00 46.19 47.38 1oqa s LEU 11 CO 0.01 -0.76 0.11 -1.61 0.23 0.00 0.00 176.35 174.33 1oqa s GLU 12 N -3.88 0.08 -0.13 1.70 2.02 0.22 0.12 118.70 118.83 1oqa s GLU 12 Ca 0.07 -0.05 0.03 0.00 0.02 0.00 0.00 54.97 55.04 1oqa s GLU 12 Cb 0.04 -1.72 0.01 0.00 0.10 0.00 0.00 34.13 32.56 1oqa s GLU 12 CO -0.09 -0.68 -0.22 0.42 0.02 0.00 0.00 175.26 174.71 1oqa s ILE 13 N 2.17 2.02 -0.01 -1.63 1.01 -0.75 0.15 121.20 124.15 1oqa s ILE 13 Ca 0.03 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.76 1oqa s ILE 13 Cb -0.16 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 1oqa s ILE 13 CO -0.10 0.54 -0.12 0.00 0.00 0.00 0.00 174.94 175.26 1oqa s TYR 16 N 1.59 3.22 0.23 0.00 6.14 -0.71 -4.90 117.35 122.92 1oqa s TYR 16 Ca 0.06 0.36 0.00 0.00 0.64 0.00 0.00 57.07 58.13 1oqa s TYR 16 Cb -0.15 -2.78 0.00 0.00 0.42 0.00 0.00 41.96 39.44 1oqa s TYR 16 CO 0.03 -0.39 0.00 0.41 0.64 0.00 0.00 175.55 176.23 1oqa n GLY 17 N 4.65 -3.42 3.57 8.97 0.00 -1.26 -4.53 105.19 113.18 1oqa n GLY 17 Ca -0.05 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 1oqa n GLY 17 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1oqa n PRO 18 N -1.63 0.72 0.00 1.61 -0.02 -1.26 -4.82 135.00 129.60 1oqa n PRO 18 Ca 0.00 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1oqa n PRO 18 Cb 0.13 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1oqa n PRO 18 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1oqa n PHE 19 N -1.87 0.00 -2.30 6.00 3.01 -1.26 -3.47 117.46 117.57 1oqa n PHE 19 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1oqa n PHE 19 Cb 0.48 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.94 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 -2.26 0.00 -3.58 4.37 -2.24 -1.26 -2.25 114.28 107.06 1oqa n THR 20 Ca 0.00 -0.60 -0.06 0.00 -2.27 0.00 0.00 64.05 61.11 1oqa n THR 20 Cb 0.00 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.00 1oqa n THR 20 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1oqa s ASN 21 N -1.58 -0.27 -0.12 3.42 3.84 -1.26 -5.07 114.94 113.90 1oqa s ASN 21 Ca 0.21 -0.11 -0.22 0.00 0.21 0.00 0.00 52.86 52.95 1oqa s ASN 21 Cb 0.24 0.37 -0.27 0.00 -0.55 0.00 0.00 41.25 41.04 1oqa s ASN 21 CO -0.10 -0.62 0.64 -0.03 -2.79 0.00 0.00 177.10 174.20 1oqa h MET 22 N 2.00 0.16 -0.06 0.43 4.05 -1.99 -3.40 114.93 116.11 1oqa h MET 22 Ca -0.22 -0.27 0.02 0.00 -0.28 0.00 0.00 59.70 58.95 1oqa h MET 22 Cb 1.23 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 32.09 1oqa h MET 22 CO 0.28 1.13 -0.29 -1.35 0.23 0.00 0.00 176.91 176.92 1oqa h PRO 23 N -0.61 -0.30 0.00 0.39 0.11 -2.06 -3.46 132.00 126.07 1oqa h PRO 23 Ca -0.19 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1oqa h PRO 23 Cb 1.46 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.64 1oqa h PRO 23 CO 0.02 -0.20 0.00 2.41 -0.21 0.00 0.00 178.00 180.02 1oqa n THR 24 N -4.07 0.00 0.13 -1.15 -1.04 -1.26 -4.81 114.28 102.08 1oqa n THR 24 Ca -0.03 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.00 1oqa n THR 24 Cb 0.20 -0.05 0.01 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 -0.25 8.00 3.32 -1.97 -3.15 116.42 122.36 1oqa h ASP 25 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 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 0.53 -0.19 -0.61 -1.72 0.00 0.00 179.24 177.25 1oqa h GLN 26 N 0.00 0.70 0.31 3.56 4.15 -1.98 0.11 115.11 121.96 1oqa h GLN 26 Ca -0.02 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.13 1oqa h GLN 26 Cb 1.42 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.07 1oqa h GLN 26 CO 0.07 0.85 -0.15 1.25 -1.93 0.00 0.00 178.83 178.91 1oqa h LEU 27 N 0.62 -0.35 -2.22 -2.39 5.85 -1.97 -2.37 115.31 112.49 1oqa h LEU 27 Ca 0.09 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1oqa h LEU 27 Cb 0.67 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1oqa h LEU 27 CO 0.05 0.08 -0.02 1.05 -0.34 0.00 0.00 178.44 179.26 1oqa h GLU 28 N -0.87 0.00 -0.05 1.25 4.11 -1.55 -1.71 114.58 115.75 1oqa h GLU 28 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 1oqa h GLU 28 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1oqa h GLU 28 CO 0.07 0.02 0.02 2.35 0.07 0.00 0.00 179.01 181.54 1oqa h TRP 29 N 0.00 0.08 -0.15 2.06 7.01 -0.64 -0.07 115.95 124.24 1oqa h TRP 29 Ca -0.00 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.04 1oqa h TRP 29 Cb 0.04 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.01 1oqa h TRP 29 CO 0.00 0.21 -0.33 0.52 -2.79 0.00 0.00 178.44 176.05 1oqa h MET 30 N -0.07 -0.38 -0.53 2.65 2.86 -0.77 0.58 114.93 119.27 1oqa h MET 30 Ca 0.02 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1oqa h MET 30 Cb 0.16 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1oqa h MET 30 CO -0.00 -0.25 0.32 -0.39 1.06 0.00 0.00 176.91 177.65 1oqa h VAL 31 N -0.39 1.06 -0.41 -2.22 -1.51 -1.45 -1.13 116.25 110.20 1oqa h VAL 31 Ca 0.10 -0.22 0.01 0.00 -1.23 0.00 0.00 66.70 65.36 1oqa h VAL 31 Cb 0.55 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.06 1oqa h VAL 31 CO -0.37 0.12 0.27 1.56 -1.23 0.00 0.00 177.57 177.92 1oqa h GLN 32 N 0.64 0.49 0.00 5.19 1.08 -0.01 0.66 115.11 123.16 1oqa h GLN 32 Ca 0.21 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1oqa h GLN 32 Cb 0.01 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1oqa h GLN 32 CO -0.09 0.32 -0.06 1.25 -0.95 0.00 0.00 178.83 179.31 1oqa h LEU 33 N 0.51 0.00 -0.88 1.46 5.85 0.14 -2.54 115.31 119.85 1oqa h LEU 33 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1oqa h LEU 33 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1oqa h LEU 33 CO -0.04 0.06 -0.21 0.00 -0.34 0.00 0.00 178.44 177.91 1oqa n GLY 35 N 1.32 2.00 3.53 0.00 0.00 -0.96 0.35 105.19 111.44 1oqa n GLY 35 Ca 0.13 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 -1.92 0.31 -0.03 4.61 0.00 -0.74 -3.40 121.76 120.59 1oqa s ALA 36 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1oqa s ALA 36 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1oqa s ALA 36 CO 0.00 -3.81 -0.09 0.45 0.00 0.00 0.00 175.76 172.30 1oqa s SER 37 N -3.74 1.27 -0.17 0.00 0.15 0.32 -4.02 113.70 107.51 1oqa s SER 37 Ca 0.71 -0.20 -0.29 0.00 0.70 0.00 0.00 55.95 56.87 1oqa s SER 37 Cb -0.10 -0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 1oqa s SER 37 CO 0.56 0.06 1.46 0.54 1.20 0.00 0.00 173.24 177.06 1oqa s VAL 38 N 0.24 3.93 -0.21 4.45 0.11 -1.26 -1.81 120.40 125.86 1oqa s VAL 38 Ca -0.04 1.10 -0.16 0.00 -2.93 0.00 0.00 61.98 59.95 1oqa s VAL 38 Cb -0.09 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 30.91 1oqa s VAL 38 CO 0.01 -0.21 0.42 -0.69 -3.33 0.00 0.00 175.10 171.30 1oqa s VAL 39 N 4.21 5.17 0.59 2.04 1.01 -1.18 -4.95 120.40 127.30 1oqa s VAL 39 Ca 0.64 0.75 0.29 0.00 0.00 0.00 0.00 61.98 63.66 1oqa s VAL 39 Cb -0.25 -3.75 0.36 0.00 0.00 0.00 0.00 36.38 32.75 1oqa s VAL 39 CO 0.23 0.22 2.06 0.50 0.00 0.00 0.00 175.10 178.12 1oqa h LYS 40 N 7.47 0.00 0.00 2.72 1.63 -1.93 -3.43 116.57 123.03 1oqa h LYS 40 Ca -0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1oqa h LYS 40 Cb 1.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1oqa h LYS 40 CO 0.72 0.00 0.00 -1.91 -3.45 0.00 0.00 179.45 174.81 1oqa n GLU 41 N -3.76 -2.05 -0.09 1.90 4.07 -1.26 -4.97 120.64 114.47 1oqa n GLU 41 Ca 0.03 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.03 1oqa n GLU 41 Cb 0.38 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.74 1oqa n GLU 41 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1oqa h LEU 42 N 0.00 0.41 -0.22 4.31 3.38 -1.97 -2.13 115.31 119.09 1oqa h LEU 42 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1oqa h LEU 42 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1oqa h LEU 42 CO 0.00 0.45 0.00 -1.20 0.09 0.00 0.00 178.44 177.78 1oqa n SER 43 N -4.75 0.20 -1.80 -0.43 7.64 -1.26 -2.43 113.62 110.79 1oqa n SER 43 Ca -0.02 0.55 -0.06 0.00 1.01 0.00 0.00 58.87 60.35 1oqa n SER 43 Cb 0.13 -0.59 0.24 0.00 -1.01 0.00 0.00 64.21 62.98 1oqa n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1oqa n SER 44 N -1.72 4.25 -4.48 6.43 7.64 -0.80 -4.86 113.62 120.07 1oqa n SER 44 Ca 0.03 -3.01 -0.42 0.00 1.01 0.00 0.00 58.87 56.48 1oqa n SER 44 Cb 0.18 -0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 1oqa n SER 44 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1oqa s PHE 45 N -2.53 2.62 0.83 1.43 0.08 -1.02 -4.65 117.98 114.75 1oqa s PHE 45 Ca 0.45 -0.56 -0.10 0.00 0.12 0.00 0.00 56.93 56.84 1oqa s PHE 45 Cb 0.36 -4.41 0.09 0.00 -0.57 0.00 0.00 43.02 38.49 1oqa s PHE 45 CO 0.11 -1.76 1.12 0.99 -0.10 0.00 0.00 175.22 175.58 1oqa s THR 46 N 4.37 2.80 -0.45 0.64 2.01 -1.26 -5.02 115.64 118.74 1oqa s THR 46 Ca 0.28 0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.62 1oqa s THR 46 Cb -0.12 -2.57 0.23 0.00 0.01 0.00 0.00 72.50 70.06 1oqa s THR 46 CO 0.07 -0.33 0.52 0.18 -0.69 0.00 0.00 174.62 174.37 1oqa n LEU 47 N -3.77 0.74 0.00 4.42 4.77 -1.26 -4.91 117.00 116.99 1oqa n LEU 47 Ca 0.10 -4.77 0.00 0.00 -0.03 0.00 0.00 56.01 51.31 1oqa n LEU 47 Cb 0.53 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1oqa n LEU 47 CO 0.51 2.02 0.00 0.61 -1.33 0.00 0.00 177.39 179.20 1oqa n GLY 48 N 1.60 0.09 1.04 -0.72 0.00 -1.26 -4.98 105.19 100.95 1oqa n GLY 48 Ca 0.24 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.00 2.61 5.66 -1.26 -4.89 114.28 116.40 1oqa n THR 49 Ca 0.00 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 1oqa n THR 49 Cb 0.00 0.76 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 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 0.27 0.00 2.89 1.09 0.00 -1.26 -5.14 105.19 103.04 1oqa n GLY 50 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 1.07 -0.06 1.61 -7.23 -1.25 -4.19 120.40 110.35 1oqa s VAL 51 Ca 0.00 -0.52 -0.15 0.00 -1.81 0.00 0.00 61.98 59.50 1oqa s VAL 51 Cb 0.00 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 1oqa s VAL 51 CO 0.00 0.20 0.38 -1.00 -0.31 0.00 0.00 175.10 174.37 1oqa s HIS 52 N 1.66 3.63 0.03 2.82 0.09 -1.11 -4.77 115.29 117.63 1oqa s HIS 52 Ca 0.02 0.86 -0.27 0.00 -0.00 0.00 0.00 55.06 55.68 1oqa s HIS 52 Cb -0.14 -2.32 -0.05 0.00 -0.00 0.00 0.00 32.58 30.07 1oqa s HIS 52 CO -0.08 0.49 0.84 -1.25 -0.00 0.00 0.00 174.74 174.73 1oqa s PRO 53 N -0.47 4.54 0.04 8.40 0.04 -1.26 -0.61 135.00 145.69 1oqa s PRO 53 Ca 0.22 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.45 1oqa s PRO 53 Cb -0.15 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 1oqa s PRO 53 CO 0.10 0.17 -0.06 0.42 0.04 0.00 0.00 177.00 177.67 1oqa s ILE 54 N 0.31 0.38 0.08 0.56 -1.09 0.39 -4.23 121.20 117.59 1oqa s ILE 54 Ca 0.43 -1.17 0.06 0.00 -2.23 0.00 0.00 60.65 57.74 1oqa s ILE 54 Cb -0.21 -0.67 -0.03 0.00 -1.58 0.00 0.00 42.46 39.97 1oqa s ILE 54 CO 0.25 -0.52 -0.16 -0.69 -1.23 0.00 0.00 174.94 172.58 1oqa s VAL 55 N -1.84 1.28 0.05 2.92 1.01 0.30 -1.39 120.40 122.72 1oqa s VAL 55 Ca -0.09 -1.37 0.06 0.00 0.00 0.00 0.00 61.98 60.58 1oqa s VAL 55 Cb -0.07 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1oqa s VAL 55 CO -0.01 -0.18 -0.16 -0.69 0.00 0.00 0.00 175.10 174.06 1oqa s VAL 56 N -1.24 1.31 0.31 2.92 1.01 0.15 0.28 120.40 125.15 1oqa s VAL 56 Ca 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.90 1oqa s VAL 56 Cb -0.10 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1oqa s VAL 56 CO 0.03 0.04 0.12 0.68 0.00 0.00 0.00 175.10 175.97 1oqa s VAL 57 N -0.88 0.59 -0.32 2.92 -7.23 -1.06 -1.73 120.40 112.68 1oqa s VAL 57 Ca 0.03 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.10 1oqa s VAL 57 Cb -0.08 -2.57 0.19 0.00 0.56 0.00 0.00 36.38 34.48 1oqa s VAL 57 CO 0.02 0.00 1.09 -1.58 -0.31 0.00 0.00 175.10 174.31 1oqa s GLN 58 N -3.87 0.13 -0.91 4.82 -0.44 -1.26 -3.36 119.66 114.77 1oqa s GLN 58 Ca 0.34 -0.06 -0.12 0.00 -2.50 0.00 0.00 55.36 53.02 1oqa s GLN 58 Cb 0.06 0.01 -0.09 0.00 -1.64 0.00 0.00 33.01 31.36 1oqa s GLN 58 CO 0.16 -0.19 2.07 -0.35 0.50 0.00 0.00 175.29 177.48 1oqa n PRO 59 N 3.43 1.96 0.03 1.67 -0.04 -1.26 -3.99 135.00 136.81 1oqa n PRO 59 Ca 0.06 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 1oqa n PRO 59 Cb 0.64 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 5.44 0.07 -1.95 3.54 2.03 -1.26 -4.88 116.55 119.53 1oqa n ASP 60 Ca 0.48 0.11 -0.05 0.00 0.52 0.00 0.00 54.79 55.84 1oqa n ASP 60 Cb 0.24 0.05 0.30 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 -2.77 4.45 0.32 -1.67 0.00 -0.95 -4.43 120.51 115.45 1oqa n ALA 61 Ca 0.00 -2.17 0.14 0.00 0.00 0.00 0.00 53.44 51.42 1oqa n ALA 61 Cb 0.00 -1.24 0.64 0.00 0.00 0.00 0.00 19.45 18.85 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 2.67 0.00 -0.57 0.00 4.06 -1.73 -3.39 115.95 116.99 1oqa h TRP 62 Ca 0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.19 1oqa h TRP 62 Cb 2.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.40 1oqa h TRP 62 CO 1.22 0.00 0.00 -2.37 -3.56 0.00 0.00 178.44 173.73 1oqa n THR 63 N -2.56 0.00 -1.72 1.49 5.66 -1.26 -4.53 114.28 111.35 1oqa n THR 63 Ca 0.01 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1oqa n THR 63 Cb 0.20 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.96 1oqa n THR 63 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1oqa n GLU 64 N -0.53 2.66 -3.24 1.09 1.02 -1.26 -4.98 120.64 115.40 1oqa n GLU 64 Ca 0.00 0.95 -0.10 0.00 -0.02 0.00 0.00 57.16 58.00 1oqa n GLU 64 Cb 0.00 -2.76 -0.01 0.00 -0.02 0.00 0.00 31.44 28.65 1oqa n GLU 64 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1oqa n ASP 65 N 3.10 -1.16 -0.01 1.62 2.03 -1.26 -5.08 116.55 115.79 1oqa n ASP 65 Ca 0.13 -2.33 -0.17 0.00 0.52 0.00 0.00 54.79 52.95 1oqa n ASP 65 Cb 0.35 2.08 -0.13 0.00 -0.72 0.00 0.00 41.12 42.69 1oqa n ASP 65 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1oqa h ASN 66 N 1.44 0.23 0.00 1.67 7.08 -1.97 -3.49 115.58 120.54 1oqa h ASN 66 Ca -0.21 -0.95 0.00 0.00 -3.08 0.00 0.00 56.30 52.06 1oqa h ASN 66 Cb 0.87 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.04 1oqa h ASN 66 CO 0.28 1.16 0.00 0.61 -2.08 0.00 0.00 177.43 177.40 1oqa n GLY 67 N 1.55 1.76 0.44 9.14 0.00 -1.26 -5.03 105.19 111.79 1oqa n GLY 67 Ca -0.12 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.18 0.00 -1.37 1.61 7.35 -1.26 -4.63 117.46 118.99 1oqa n PHE 68 Ca 0.00 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.37 1oqa n PHE 68 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 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 -0.09 1.82 -2.10 -5.13 -0.00 -1.26 -3.60 115.22 104.85 1oqa n HIS 69 Ca 0.08 -2.59 -0.01 0.00 0.46 0.00 0.00 57.72 55.65 1oqa n HIS 69 Cb 0.42 -2.09 0.01 0.00 -0.12 0.00 0.00 29.99 28.21 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 2.81 -0.09 0.14 1.57 0.00 -1.26 -4.98 120.51 118.70 1oqa n ALA 70 Ca 0.66 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.76 1oqa n ALA 70 Cb 0.42 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.40 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 1.47 0.00 0.00 0.00 1.08 -1.92 -2.58 117.51 115.56 1oqa h ILE 71 Ca -0.17 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1oqa h ILE 71 Cb 0.94 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1oqa h ILE 71 CO -0.08 0.00 0.00 1.23 -0.69 0.00 0.00 178.15 178.61 1oqa h GLY 72 N -0.64 0.00 2.00 5.37 0.00 -1.89 -2.76 103.07 105.14 1oqa h GLY 72 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1oqa h GLY 72 CO 0.07 0.00 -0.40 1.46 0.00 0.00 0.00 176.54 177.66 1oqa h GLN 73 N 0.00 0.00 0.00 4.80 1.08 -1.94 -3.28 115.11 115.77 1oqa h GLN 73 Ca 0.00 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 1oqa h GLN 73 Cb 0.59 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.98 1oqa h GLN 73 CO 0.00 0.40 -1.82 -1.33 -0.95 0.00 0.00 178.83 175.14 1oqa n MET 74 N -3.23 0.65 -4.41 1.46 2.81 -0.97 -4.95 117.12 108.47 1oqa n MET 74 Ca 0.02 0.13 -0.26 0.00 -1.81 0.00 0.00 57.70 55.78 1oqa n MET 74 Cb 0.67 -1.69 -0.11 0.00 -0.71 0.00 0.00 33.22 31.38 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 -0.08 2.27 -4.53 0.00 0.28 -1.26 -4.61 120.64 112.71 1oqa n GLU 76 Ca -0.10 -3.20 -0.25 0.00 -0.16 0.00 0.00 57.16 53.45 1oqa n GLU 76 Cb 0.57 -2.08 -0.10 0.00 1.43 0.00 0.00 31.44 31.26 1oqa n GLU 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1oqa s ALA 77 N -3.39 2.83 -0.09 -1.84 0.00 -1.26 -5.08 121.76 112.93 1oqa s ALA 77 Ca 0.54 -1.78 -0.27 0.00 0.00 0.00 0.00 51.96 50.45 1oqa s ALA 77 Cb 0.46 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 1oqa s ALA 77 CO 0.05 -0.24 0.88 -1.25 0.00 0.00 0.00 175.76 175.20 1oqa s PRO 78 N -3.82 4.43 -0.18 0.00 0.04 -1.26 -4.80 135.00 129.40 1oqa s PRO 78 Ca 0.31 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 1oqa s PRO 78 Cb 0.07 -3.51 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 1oqa s PRO 78 CO 0.14 -0.17 0.19 0.08 0.04 0.00 0.00 177.00 177.29 1oqa s VAL 79 N 1.53 5.37 -0.08 -0.36 1.01 -1.25 0.11 120.40 126.73 1oqa s VAL 79 Ca 0.44 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 1oqa s VAL 79 Cb -0.18 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1oqa s VAL 79 CO 0.19 0.44 0.19 0.68 0.00 0.00 0.00 175.10 176.60 1oqa s VAL 80 N 0.27 -0.01 1.09 2.92 -7.23 0.14 -2.35 120.40 115.22 1oqa s VAL 80 Ca 0.12 0.05 -0.19 0.00 -1.81 0.00 0.00 61.98 60.15 1oqa s VAL 80 Cb -0.12 -0.29 0.07 0.00 0.56 0.00 0.00 36.38 36.60 1oqa s VAL 80 CO 0.01 0.02 -0.11 0.35 -0.31 0.00 0.00 175.10 175.06 1oqa n THR 81 N 3.37 0.00 0.27 5.32 -2.24 0.13 -2.56 114.28 118.57 1oqa n THR 81 Ca -0.17 -0.26 0.14 0.00 -2.27 0.00 0.00 64.05 61.49 1oqa n THR 81 Cb 0.57 -0.54 0.70 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.90 0.00 -1.00 -0.78 0.11 -1.91 -2.80 114.38 106.11 1oqa h ARG 82 Ca -0.51 0.00 0.20 0.00 0.10 0.00 0.00 59.98 59.77 1oqa h ARG 82 Cb 1.35 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.33 1oqa h ARG 82 CO 0.36 0.00 0.61 0.93 0.10 0.00 0.00 179.97 181.97 1oqa h GLU 83 N 0.00 0.68 0.64 0.08 4.39 -1.92 0.33 114.58 118.78 1oqa h GLU 83 Ca 0.00 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1oqa h GLU 83 Cb 0.16 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1oqa h GLU 83 CO 0.00 0.45 -0.31 2.35 -1.16 0.00 0.00 179.01 180.34 1oqa h TRP 84 N 0.70 -0.80 -0.92 4.33 7.01 -1.81 0.96 115.95 125.41 1oqa h TRP 84 Ca 0.57 -0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.68 1oqa h TRP 84 Cb 0.98 0.26 -0.07 0.00 -2.10 0.00 0.00 29.16 28.23 1oqa h TRP 84 CO -0.00 -0.46 0.59 0.28 -2.79 0.00 0.00 178.44 176.05 1oqa h VAL 85 N -1.00 0.89 0.02 2.65 2.07 -1.42 0.38 116.25 119.83 1oqa h VAL 85 Ca -0.09 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1oqa h VAL 85 Cb 0.70 -0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1oqa h VAL 85 CO 0.15 0.15 -0.26 0.25 0.02 0.00 0.00 177.57 177.88 1oqa h LEU 86 N 0.82 0.20 -1.58 2.57 5.85 -0.22 -1.50 115.31 121.45 1oqa h LEU 86 Ca 0.45 -0.84 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1oqa h LEU 86 Cb 0.58 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1oqa h LEU 86 CO -0.22 1.02 0.18 -0.78 -0.34 0.00 0.00 178.44 178.30 1oqa h ASP 87 N -0.59 0.40 0.00 1.25 1.82 0.14 0.89 116.42 120.34 1oqa h ASP 87 Ca -0.04 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.57 1oqa h ASP 87 Cb 1.07 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.98 1oqa h ASP 87 CO 0.05 0.33 -0.06 0.28 -1.61 0.00 0.00 179.24 178.24 1oqa h SER 88 N 0.47 0.04 0.70 2.28 0.02 -0.32 -3.03 113.55 113.71 1oqa h SER 88 Ca 0.12 -0.85 -0.09 0.00 -0.84 0.00 0.00 61.79 60.13 1oqa h SER 88 Cb 0.02 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1oqa h SER 88 CO -0.02 0.89 -0.44 0.58 -1.14 0.00 0.00 176.83 176.71 1oqa h VAL 89 N -0.80 1.08 0.35 2.27 2.07 -1.07 1.13 116.25 121.28 1oqa h VAL 89 Ca -0.01 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 1oqa h VAL 89 Cb 0.90 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1oqa h VAL 89 CO 0.01 0.43 -0.17 0.00 0.02 0.00 0.00 177.57 177.86 1oqa h ALA 90 N 1.56 -0.47 -0.02 1.67 0.00 0.72 -3.25 119.26 119.47 1oqa h ALA 90 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1oqa h ALA 90 Cb 0.90 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1oqa h ALA 90 CO 0.06 -0.61 -0.24 -0.11 0.00 0.00 0.00 179.25 178.35 1oqa n LEU 91 N -5.17 1.87 -3.00 0.00 0.00 -1.14 -5.01 117.00 104.54 1oqa n LEU 91 Ca -0.10 -0.63 -0.09 0.00 0.00 0.00 0.00 56.01 55.20 1oqa n LEU 91 Cb 0.27 -0.03 0.01 0.00 0.00 0.00 0.00 43.42 43.67 1oqa n LEU 91 CO 0.31 0.33 0.10 0.00 0.00 0.00 0.00 177.39 178.13 1oqa n TYR 92 N 0.12 -3.23 -3.65 1.96 9.36 0.38 -5.05 117.16 117.05 1oqa n TYR 92 Ca 0.13 1.28 -0.01 0.00 3.32 0.00 0.00 57.90 62.62 1oqa n TYR 92 Cb 0.44 -3.87 -0.06 0.00 -0.63 0.00 0.00 39.34 35.22 1oqa n TYR 92 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1oqa s GLN 93 N -2.81 0.13 -0.57 2.98 2.00 -0.27 -4.95 119.66 116.17 1oqa s GLN 93 Ca 0.18 0.19 -0.26 0.00 -2.00 0.00 0.00 55.36 53.47 1oqa s GLN 93 Cb -0.04 0.04 -0.09 0.00 0.80 0.00 0.00 33.01 33.72 1oqa s GLN 93 CO 0.78 -0.02 2.43 0.00 -0.50 0.00 0.00 175.29 177.97 1oqa s GLN 95 N 8.44 3.02 0.35 0.00 -1.52 -1.26 -5.03 119.66 123.65 1oqa s GLN 95 Ca 0.99 0.40 -0.27 0.00 -1.95 0.00 0.00 55.36 54.52 1oqa s GLN 95 Cb -0.20 -2.10 -0.09 0.00 -0.22 0.00 0.00 33.01 30.40 1oqa s GLN 95 CO 0.23 -0.86 1.16 -1.83 -0.25 0.00 0.00 175.29 173.75 1oqa s GLU 96 N -5.23 4.32 -0.03 2.91 1.03 -1.26 -4.96 118.70 115.48 1oqa s GLU 96 Ca 0.56 1.87 0.02 0.00 0.03 0.00 0.00 54.97 57.45 1oqa s GLU 96 Cb -0.11 -2.91 -0.25 0.00 -0.80 0.00 0.00 34.13 30.06 1oqa s GLU 96 CO 0.50 -0.10 0.73 -0.07 -1.33 0.00 0.00 175.26 174.99 1oqa h LEU 97 N 3.16 0.24 -2.31 1.83 4.07 -1.97 -3.33 115.31 116.99 1oqa h LEU 97 Ca -0.48 -0.41 0.03 0.00 0.08 0.00 0.00 57.88 57.10 1oqa h LEU 97 Cb 1.22 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.88 1oqa h LEU 97 CO 0.64 1.35 0.21 -0.78 -1.08 0.00 0.00 178.44 178.79 1oqa h ASP 98 N 0.04 0.00 1.24 -0.43 1.82 -1.95 0.39 116.42 117.53 1oqa h ASP 98 Ca -0.28 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 1oqa h ASP 98 Cb 2.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.01 1oqa h ASP 98 CO 0.12 0.00 0.00 0.71 -1.61 0.00 0.00 179.24 178.46 1oqa h THR 99 N 0.00 0.00 0.00 2.25 1.35 -1.98 -3.28 112.91 111.24 1oqa h THR 99 Ca 0.05 -0.43 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1oqa h THR 99 Cb 0.47 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1oqa h THR 99 CO -0.00 0.00 -0.52 -1.22 -0.25 0.00 0.00 175.52 173.53 1oqa n TYR 100 N -2.34 0.00 -1.99 4.73 4.01 0.67 -5.07 117.16 117.17 1oqa n TYR 100 Ca 0.04 -0.06 -0.30 0.00 -0.16 0.00 0.00 57.90 57.43 1oqa n TYR 100 Cb 0.36 -0.06 0.03 0.00 -0.31 0.00 0.00 39.34 39.37 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 -0.09 3.05 0.28 7.72 0.20 0.10 -0.70 118.68 129.24 1oqa s LEU 101 Ca 0.03 1.12 -0.29 0.00 0.69 0.00 0.00 54.13 55.67 1oqa s LEU 101 Cb 0.03 -3.98 -0.10 0.00 -0.43 0.00 0.00 46.19 41.72 1oqa s LEU 101 CO -0.01 -1.17 1.27 0.27 -0.29 0.00 0.00 176.35 176.42 1oqa s ILE 102 N -3.24 3.02 0.95 6.68 -5.25 -0.99 -4.89 121.20 117.48 1oqa s ILE 102 Ca 0.56 0.96 -0.16 0.00 -0.99 0.00 0.00 60.65 61.02 1oqa s ILE 102 Cb -0.11 -3.61 0.23 0.00 2.95 0.00 0.00 42.46 41.92 1oqa s ILE 102 CO 0.51 0.20 1.03 -0.81 -1.79 0.00 0.00 174.94 174.08 1oqa n PRO 103 N 1.50 -2.03 0.09 0.37 -0.04 -1.26 -5.05 135.00 128.58 1oqa n PRO 103 Ca 0.02 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 1oqa n PRO 103 Cb 0.43 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -3.91 0.00 -3.42 0.54 -0.06 -1.26 -5.11 117.38 104.16 1oqa n GLN 104 Ca 0.14 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 55.01 1oqa n GLN 104 Cb 0.50 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.58 1oqa n GLN 104 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 1oqa s ILE 105 N -1.55 -0.49 -0.86 1.69 1.10 -1.26 -5.08 121.20 114.74 1oqa s ILE 105 Ca 0.00 -0.07 -0.20 0.00 -0.51 0.00 0.00 60.65 59.88 1oqa s ILE 105 Cb 0.00 -0.75 -0.22 0.00 0.15 0.00 0.00 42.46 41.65 1oqa s ILE 105 CO 0.00 -0.14 2.33 -2.65 -2.11 0.00 0.00 174.94 172.37 1oqa n PRO 106 N 5.35 0.34 -3.32 3.50 -0.02 -1.26 -4.75 135.00 134.84 1oqa n PRO 106 Ca -0.04 -0.44 0.03 0.00 -2.02 0.00 0.00 63.50 61.02 1oqa n PRO 106 Cb 0.50 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 1oqa n PRO 106 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1oqa s HIS 107 N 8.72 -0.21 -0.40 6.00 2.46 -1.26 -5.12 115.29 125.48 1oqa s HIS 107 Ca 1.10 0.38 0.03 0.00 0.47 0.00 0.00 55.06 57.04 1oqa s HIS 107 Cb -0.46 0.13 0.16 0.00 -0.13 0.00 0.00 32.58 32.28 1oqa s HIS 107 CO 0.30 -0.10 0.36 -1.12 -2.47 0.00 0.00 174.74 171.71 1oqa s SER 108 N 1.92 1.35 0.00 9.88 0.01 -1.26 -4.98 113.70 120.62 1oqa s SER 108 Ca -0.02 -2.48 0.00 0.00 1.31 0.00 0.00 55.95 54.76 1oqa s SER 108 Cb -0.02 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1oqa s SER 108 CO -0.15 -0.20 0.00 1.57 0.41 0.00 0.00 173.24 174.87 1oqa n HIS 109 N 3.34 -0.55 1.16 2.43 -0.00 -1.26 -5.33 115.22 115.01 1oqa n HIS 109 Ca 0.22 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.49 1oqa n HIS 109 Cb 0.46 0.41 0.55 0.00 -0.12 0.00 0.00 29.99 31.30 1oqa n HIS 109 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78