#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 -3.21 -3.35 1.61 7.64 -1.26 -4.79 113.62 110.25 1oqa n SER 2 Ca 0.00 -0.53 -0.39 0.00 1.01 0.00 0.00 58.87 58.96 1oqa n SER 2 Cb 0.00 -0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.59 1oqa n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oqa n GLN 3 N -4.20 3.81 -0.04 1.43 6.02 -1.26 -4.10 117.38 119.03 1oqa n GLN 3 Ca 0.08 -2.39 -0.05 0.00 -0.01 0.00 0.00 57.00 54.63 1oqa n GLN 3 Cb 0.35 -2.79 -0.05 0.00 1.02 0.00 0.00 30.24 28.77 1oqa n GLN 3 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1oqa n ASP 4 N 3.39 3.23 0.01 1.08 -0.08 -1.26 -5.00 116.55 117.92 1oqa n ASP 4 Ca 0.76 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 54.02 1oqa n ASP 4 Cb 0.24 0.34 0.00 0.00 2.34 0.00 0.00 41.12 44.03 1oqa n ASP 4 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1oqa n ARG 5 N -2.48 0.00 -1.74 -0.67 1.74 -1.26 -5.15 116.66 107.11 1oqa n ARG 5 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1oqa n ARG 5 Cb 0.71 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.15 1oqa n ARG 5 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1oqa n LYS 6 N -2.55 -4.63 0.31 5.56 4.76 -1.26 -4.29 118.16 116.07 1oqa n LYS 6 Ca 0.00 3.35 0.20 0.00 -2.87 0.00 0.00 58.31 58.99 1oqa n LYS 6 Cb 0.00 -3.57 1.02 0.00 -1.84 0.00 0.00 35.03 30.64 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 3.29 0.07 0.00 -0.18 3.07 -1.66 -3.04 117.51 119.05 1oqa h ILE 7 Ca 0.00 -0.19 -0.33 0.00 1.55 0.00 0.00 64.86 65.89 1oqa h ILE 7 Cb 0.00 1.18 -0.05 0.00 -0.27 0.00 0.00 36.82 37.68 1oqa h ILE 7 CO 0.00 0.01 -1.78 0.49 -1.05 0.00 0.00 178.15 175.82 1oqa n PHE 8 N -3.16 0.63 -3.07 0.16 3.01 0.23 -4.26 117.46 111.00 1oqa n PHE 8 Ca -0.02 0.27 -0.00 0.00 1.01 0.00 0.00 57.45 58.71 1oqa n PHE 8 Cb 0.15 -1.06 -0.00 0.00 -0.01 0.00 0.00 39.48 38.56 1oqa n PHE 8 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1oqa n ARG 9 N -4.33 -1.12 -1.58 -1.08 0.63 -1.12 -4.56 116.66 103.50 1oqa n ARG 9 Ca -0.41 1.30 -0.00 0.00 -0.92 0.00 0.00 57.85 57.82 1oqa n ARG 9 Cb 0.77 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.55 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 1.15 -0.56 3.13 5.14 0.00 -0.83 -4.93 105.19 108.30 1oqa n GLY 10 Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.52 2.02 -0.19 0.99 1.43 -0.92 -1.92 118.68 118.57 1oqa s LEU 11 Ca 0.01 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1oqa s LEU 11 Cb -0.00 0.55 0.08 0.00 0.03 0.00 0.00 46.19 46.85 1oqa s LEU 11 CO 0.04 -0.63 0.15 -1.61 0.23 0.00 0.00 176.35 174.53 1oqa s GLU 12 N -3.72 0.12 -0.13 1.70 2.02 0.80 0.12 118.70 119.61 1oqa s GLU 12 Ca 0.05 0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.10 1oqa s GLU 12 Cb 0.06 -1.55 0.01 0.00 0.10 0.00 0.00 34.13 32.75 1oqa s GLU 12 CO -0.10 -0.67 -0.20 0.42 0.02 0.00 0.00 175.26 174.74 1oqa s ILE 13 N 2.22 1.85 -0.04 -1.63 1.01 -0.57 0.12 121.20 124.17 1oqa s ILE 13 Ca 0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 1oqa s ILE 13 Cb -0.16 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1oqa s ILE 13 CO -0.11 0.51 0.14 0.00 0.00 0.00 0.00 174.94 175.49 1oqa s TYR 16 N 1.57 3.63 0.00 0.00 5.04 -1.02 -4.93 117.35 121.65 1oqa s TYR 16 Ca 0.04 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.55 1oqa s TYR 16 Cb -0.26 -2.33 0.00 0.00 0.35 0.00 0.00 41.96 39.72 1oqa s TYR 16 CO 0.04 0.49 0.00 0.41 -1.34 0.00 0.00 175.55 175.15 1oqa n GLY 17 N 2.38 -1.12 0.00 8.97 0.00 -1.26 -4.33 105.19 109.82 1oqa n GLY 17 Ca -0.13 -1.38 0.05 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.10 0.01 0.00 1.61 -0.02 -1.26 -4.88 135.00 130.36 1oqa n PRO 18 Ca 0.00 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1oqa n PRO 18 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 -1.48 0.00 0.00 6.00 3.01 -1.26 -3.93 117.46 119.79 1oqa n PHE 19 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1oqa n PHE 19 Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 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 0.00 4.37 -2.24 -1.26 -1.75 114.28 113.40 1oqa n THR 20 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1oqa n THR 20 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.67 0.00 0.06 3.42 4.05 -1.25 -4.77 115.26 115.10 1oqa n ASN 21 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1oqa n ASN 21 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1oqa n ASN 21 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 1oqa n MET 22 N 0.00 0.00 -1.73 1.20 2.81 -1.26 -5.07 117.12 113.06 1oqa n MET 22 Ca 0.00 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.71 1oqa n MET 22 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.45 1oqa n MET 22 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1oqa s PRO 23 N -1.76 1.91 0.19 0.03 0.04 -1.26 -4.04 135.00 130.11 1oqa s PRO 23 Ca 0.00 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1oqa s PRO 23 Cb 0.00 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.65 1oqa s PRO 23 CO 0.00 -4.13 0.00 0.25 0.04 0.00 0.00 177.00 173.16 1oqa n THR 24 N 8.49 0.00 0.07 1.26 -2.24 -1.26 -4.73 114.28 115.87 1oqa n THR 24 Ca 0.44 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.21 1oqa n THR 24 Cb 0.44 -0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 1oqa n THR 24 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1oqa h ASP 25 N 0.00 0.00 1.04 3.42 2.03 -2.01 -3.12 116.42 117.78 1oqa h ASP 25 Ca 0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 1oqa h ASP 25 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1oqa h ASP 25 CO 0.00 0.71 -0.59 -0.61 -1.03 0.00 0.00 179.24 177.72 1oqa h GLN 26 N 0.00 0.00 -0.02 4.15 4.15 -1.91 -2.58 115.11 118.91 1oqa h GLN 26 Ca -0.10 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 1oqa h GLN 26 Cb 1.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.31 1oqa h GLN 26 CO 0.08 0.59 -0.10 1.25 -1.93 0.00 0.00 178.83 178.72 1oqa h LEU 27 N 0.00 0.11 -1.62 -2.39 7.12 -1.88 -1.91 115.31 114.73 1oqa h LEU 27 Ca -0.01 -0.69 -0.04 0.00 0.13 0.00 0.00 57.88 57.28 1oqa h LEU 27 Cb 1.26 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.35 1oqa h LEU 27 CO 0.08 0.78 -0.21 1.05 -0.13 0.00 0.00 178.44 180.01 1oqa h GLU 28 N -0.55 0.00 -0.01 1.25 4.11 -1.60 -1.84 114.58 115.94 1oqa h GLU 28 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1oqa h GLU 28 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1oqa h GLU 28 CO 0.02 0.21 -0.02 2.35 0.07 0.00 0.00 179.01 181.64 1oqa h TRP 29 N 0.00 0.04 -0.40 2.06 7.01 -1.46 -1.34 115.95 121.86 1oqa h TRP 29 Ca -0.00 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.05 1oqa h TRP 29 Cb 0.43 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.43 1oqa h TRP 29 CO 0.00 0.58 0.05 0.52 -2.79 0.00 0.00 178.44 176.80 1oqa h MET 30 N -0.52 0.16 -0.45 2.65 2.86 -1.03 0.38 114.93 118.99 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 0.57 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1oqa h MET 30 CO 0.00 0.11 0.23 -0.39 1.06 0.00 0.00 176.91 177.92 1oqa h VAL 31 N 0.17 1.17 -0.61 -2.22 -1.51 -1.38 -2.02 116.25 109.85 1oqa h VAL 31 Ca 0.19 -0.48 0.03 0.00 -1.23 0.00 0.00 66.70 65.22 1oqa h VAL 31 Cb 0.25 0.67 -0.03 0.00 -2.13 0.00 0.00 31.29 30.05 1oqa h VAL 31 CO -0.28 0.19 0.40 1.56 -1.23 0.00 0.00 177.57 178.21 1oqa h GLN 32 N 0.58 0.69 0.00 5.19 4.20 -0.32 0.07 115.11 125.52 1oqa h GLN 32 Ca 0.15 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1oqa h GLN 32 Cb 0.09 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1oqa h GLN 32 CO -0.02 0.46 -0.10 1.25 -0.67 0.00 0.00 178.83 179.75 1oqa h LEU 33 N 0.71 0.00 -0.89 1.46 5.85 0.42 -2.65 115.31 120.22 1oqa h LEU 33 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1oqa h LEU 33 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1oqa h LEU 33 CO -0.07 0.10 -0.24 0.00 -0.34 0.00 0.00 178.44 177.89 1oqa n GLY 35 N 1.33 1.86 3.77 0.00 0.00 -0.97 0.76 105.19 111.95 1oqa n GLY 35 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 3.96 -0.05 4.61 0.00 -0.43 -1.96 121.76 125.89 1oqa s ALA 36 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.78 1oqa s ALA 36 Cb 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1oqa s ALA 36 CO 0.00 -0.17 -0.07 0.45 0.00 0.00 0.00 175.76 175.98 1oqa s SER 37 N -3.96 1.27 -0.22 0.00 0.15 0.32 -4.08 113.70 107.18 1oqa s SER 37 Ca 0.24 -0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.41 1oqa s SER 37 Cb 0.02 -0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 63.74 1oqa s SER 37 CO 0.13 -0.04 1.49 0.54 1.20 0.00 0.00 173.24 176.57 1oqa s VAL 38 N 0.92 3.87 -0.26 4.45 0.11 -1.26 -1.51 120.40 126.72 1oqa s VAL 38 Ca -0.11 1.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.78 1oqa s VAL 38 Cb -0.15 -3.83 -0.03 0.00 -1.53 0.00 0.00 36.38 30.84 1oqa s VAL 38 CO 0.01 -0.30 0.45 -0.69 -3.33 0.00 0.00 175.10 171.24 1oqa s VAL 39 N 4.65 5.12 0.43 2.04 1.01 -1.17 -4.95 120.40 127.52 1oqa s VAL 39 Ca 0.66 0.75 0.12 0.00 0.00 0.00 0.00 61.98 63.51 1oqa s VAL 39 Cb -0.23 -3.77 0.31 0.00 0.00 0.00 0.00 36.38 32.69 1oqa s VAL 39 CO 0.26 0.12 2.00 0.11 0.00 0.00 0.00 175.10 177.59 1oqa h LYS 40 N 8.04 0.42 -3.42 2.72 6.56 -1.93 -3.40 116.57 125.56 1oqa h LYS 40 Ca -0.30 -0.03 -0.10 0.00 -1.06 0.00 0.00 60.65 59.16 1oqa h LYS 40 Cb 1.15 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.68 1oqa h LYS 40 CO 0.69 0.28 0.09 -1.21 -2.06 0.00 0.00 179.45 177.23 1oqa s GLU 41 N -5.41 2.05 0.15 3.15 2.02 -1.26 -4.98 118.70 114.43 1oqa s GLU 41 Ca -0.08 -1.50 -0.10 0.00 0.02 0.00 0.00 54.97 53.31 1oqa s GLU 41 Cb 0.19 0.55 -0.01 0.00 0.10 0.00 0.00 34.13 34.96 1oqa s GLU 41 CO 0.74 -0.92 1.52 -0.07 0.02 0.00 0.00 175.26 176.55 1oqa h LEU 42 N 2.05 1.02 -1.22 1.80 3.38 -1.97 -2.79 115.31 117.58 1oqa h LEU 42 Ca -0.29 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1oqa h LEU 42 Cb 1.25 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1oqa h LEU 42 CO 0.38 1.23 0.00 -1.28 0.09 0.00 0.00 178.44 178.86 1oqa h SER 43 N 0.82 0.00 0.37 -0.43 0.87 -1.96 -2.56 113.55 110.66 1oqa h SER 43 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1oqa h SER 43 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1oqa h SER 43 CO 0.08 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.18 1oqa n SER 44 N -2.85 0.00 -3.24 6.23 7.64 -1.05 -4.86 113.62 115.49 1oqa n SER 44 Ca 0.01 -0.27 -0.21 0.00 1.01 0.00 0.00 58.87 59.41 1oqa n SER 44 Cb 0.29 -0.22 0.20 0.00 -1.01 0.00 0.00 64.21 63.48 1oqa n SER 44 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1oqa n PHE 45 N -1.22 -3.11 -3.21 1.43 3.72 -0.97 -4.51 117.46 109.60 1oqa n PHE 45 Ca 0.14 -0.48 -0.12 0.00 -0.05 0.00 0.00 57.45 56.94 1oqa n PHE 45 Cb 0.18 -1.03 0.01 0.00 -0.94 0.00 0.00 39.48 37.70 1oqa n PHE 45 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1oqa n THR 46 N -4.95 -4.18 -3.40 4.37 5.66 -1.26 -5.00 114.28 105.52 1oqa n THR 46 Ca 0.10 0.56 -0.18 0.00 -3.05 0.00 0.00 64.05 61.47 1oqa n THR 46 Cb 0.42 -3.84 -0.10 0.00 -1.55 0.00 0.00 70.33 65.26 1oqa n THR 46 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1oqa s LEU 47 N -1.57 -0.13 0.00 1.09 1.43 -1.26 -5.06 118.68 113.17 1oqa s LEU 47 Ca 0.12 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 1oqa s LEU 47 Cb -0.02 0.44 0.00 0.00 0.03 0.00 0.00 46.19 46.64 1oqa s LEU 47 CO 0.38 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1oqa n GLY 48 N 5.10 0.76 1.82 -3.19 0.00 -1.26 -4.95 105.19 103.47 1oqa n GLY 48 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1oqa n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1oqa n THR 49 N 0.00 0.08 -3.76 2.61 -1.04 -1.26 -5.04 114.28 105.87 1oqa n THR 49 Ca 0.00 0.03 -0.30 0.00 -2.04 0.00 0.00 64.05 61.74 1oqa n THR 49 Cb 0.00 -0.37 -0.13 0.00 -1.82 0.00 0.00 70.33 68.01 1oqa n THR 49 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1oqa s GLY 50 N -4.16 1.72 -0.01 3.41 0.00 -1.26 -5.09 107.32 101.93 1oqa s GLY 50 Ca 0.00 -2.58 0.03 0.00 0.00 0.00 0.00 44.72 42.16 1oqa s GLY 50 CO 0.00 1.45 -0.08 -1.34 0.00 0.00 0.00 173.10 173.13 1oqa s VAL 51 N 0.43 0.67 -0.16 1.40 -7.23 -1.26 -4.49 120.40 109.76 1oqa s VAL 51 Ca 0.16 -0.36 -0.16 0.00 -1.81 0.00 0.00 61.98 59.81 1oqa s VAL 51 Cb -0.24 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 1oqa s VAL 51 CO -0.03 0.19 0.40 -2.28 -0.31 0.00 0.00 175.10 173.08 1oqa s HIS 52 N -0.19 3.45 -0.07 2.82 5.65 -0.81 -4.85 115.29 121.29 1oqa s HIS 52 Ca 0.03 0.72 -0.29 0.00 0.25 0.00 0.00 55.06 55.78 1oqa s HIS 52 Cb -0.03 -2.49 -0.02 0.00 -1.18 0.00 0.00 32.58 28.86 1oqa s HIS 52 CO -0.00 0.12 0.96 -1.25 -0.65 0.00 0.00 174.74 173.92 1oqa s PRO 53 N 0.82 4.46 0.13 2.88 0.04 -1.26 -0.14 135.00 141.93 1oqa s PRO 53 Ca 0.21 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.60 1oqa s PRO 53 Cb -0.14 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 1oqa s PRO 53 CO 0.08 -0.19 -0.04 0.42 0.04 0.00 0.00 177.00 177.31 1oqa s ILE 54 N 1.55 0.74 -0.00 0.56 -1.09 0.33 -4.30 121.20 118.99 1oqa s ILE 54 Ca 0.48 -1.97 0.00 0.00 -2.23 0.00 0.00 60.65 56.94 1oqa s ILE 54 Cb -0.19 -1.87 -0.00 0.00 -1.58 0.00 0.00 42.46 38.82 1oqa s ILE 54 CO 0.21 -0.71 -0.01 -0.69 -1.23 0.00 0.00 174.94 172.51 1oqa s VAL 55 N -3.60 0.10 0.25 2.92 1.01 0.34 -2.11 120.40 119.30 1oqa s VAL 55 Ca 0.17 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1oqa s VAL 55 Cb 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 1oqa s VAL 55 CO -0.01 0.03 -0.09 -0.69 0.00 0.00 0.00 175.10 174.34 1oqa s VAL 56 N -0.00 3.05 0.31 2.92 1.01 0.12 0.24 120.40 128.05 1oqa s VAL 56 Ca 0.00 -2.02 -0.07 0.00 0.00 0.00 0.00 61.98 59.89 1oqa s VAL 56 Cb -0.01 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1oqa s VAL 56 CO -0.00 -0.32 0.50 0.68 0.00 0.00 0.00 175.10 175.96 1oqa s VAL 57 N -2.22 0.00 0.00 2.92 -7.23 0.32 -2.43 120.40 111.76 1oqa s VAL 57 Ca 0.29 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1oqa s VAL 57 Cb -0.07 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1oqa s VAL 57 CO 0.17 0.00 0.00 1.67 -0.31 0.00 0.00 175.10 176.63 1oqa n GLN 58 N -0.49 0.00 -1.57 4.82 0.00 -1.26 -3.61 117.38 115.28 1oqa n GLN 58 Ca -0.01 0.00 -0.53 0.00 -0.00 0.00 0.00 57.00 56.46 1oqa n GLN 58 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.79 1oqa n GLN 58 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1oqa n PRO 59 N 0.00 1.22 0.00 3.69 -0.02 -1.26 -4.20 135.00 134.43 1oqa n PRO 59 Ca 0.00 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1oqa n PRO 59 Cb 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1oqa n PRO 59 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1oqa n ASP 60 N 7.69 0.00 -2.07 2.55 9.92 -1.25 -4.95 116.55 128.43 1oqa n ASP 60 Ca 0.34 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.44 1oqa n ASP 60 Cb 0.19 0.02 0.22 0.00 -0.64 0.00 0.00 41.12 40.91 1oqa n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1oqa n ALA 61 N -0.96 5.03 -0.00 2.24 0.00 -0.72 -4.30 120.51 121.81 1oqa n ALA 61 Ca 0.00 -2.49 -0.19 0.00 0.00 0.00 0.00 53.44 50.75 1oqa n ALA 61 Cb 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.96 1oqa n ALA 61 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1oqa n TRP 62 N -0.66 1.17 -1.32 0.00 7.02 -1.26 -4.68 117.44 117.71 1oqa n TRP 62 Ca 0.49 0.27 0.17 0.00 -1.02 0.00 0.00 57.50 57.41 1oqa n TRP 62 Cb 1.49 -1.16 -0.05 0.00 -2.42 0.00 0.00 31.31 29.17 1oqa n TRP 62 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1oqa n THR 63 N -3.40 0.00 0.00 -0.99 -1.04 -1.26 -4.66 114.28 102.92 1oqa n THR 63 Ca -0.30 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1oqa n THR 63 Cb 1.05 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1oqa n THR 63 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1oqa n GLU 64 N -3.92 0.00 -4.23 -2.82 1.02 -1.26 -4.62 120.64 104.81 1oqa n GLU 64 Ca -0.01 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1oqa n GLU 64 Cb 0.66 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.98 1oqa n GLU 64 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1oqa s ASP 65 N -3.84 0.69 -0.04 1.62 -4.77 -1.26 -5.10 116.67 103.97 1oqa s ASP 65 Ca 0.00 -1.52 -0.00 0.00 -3.30 0.00 0.00 52.55 47.73 1oqa s ASP 65 Cb 0.00 0.45 -0.00 0.00 -1.09 0.00 0.00 42.92 42.28 1oqa s ASP 65 CO 0.00 -0.93 -0.00 -1.13 0.70 0.00 0.00 175.17 173.81 1oqa h ASN 66 N 2.44 0.00 -2.17 2.11 -1.24 -1.96 -3.46 115.58 111.29 1oqa h ASN 66 Ca -0.32 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.31 1oqa h ASN 66 Cb 1.24 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.24 1oqa h ASN 66 CO 0.47 0.21 -0.45 0.61 -1.29 0.00 0.00 177.43 176.99 1oqa n GLY 67 N 1.91 0.23 0.86 1.57 0.00 -1.26 -4.86 105.19 103.64 1oqa n GLY 67 Ca -0.00 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.57 0.50 -0.44 1.61 -0.00 -1.26 -4.33 117.46 109.96 1oqa n PHE 68 Ca -0.21 -0.25 -0.12 0.00 -0.00 0.00 0.00 57.45 56.86 1oqa n PHE 68 Cb 0.66 0.00 0.05 0.00 -0.00 0.00 0.00 39.48 40.19 1oqa n PHE 68 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1oqa n HIS 69 N 0.88 1.30 -1.93 -5.13 8.25 -1.26 -3.62 115.22 113.72 1oqa n HIS 69 Ca 0.17 -1.50 -0.03 0.00 -0.26 0.00 0.00 57.72 56.10 1oqa n HIS 69 Cb 0.43 -0.74 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 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 0.21 2.49 -0.04 -1.41 0.00 -1.26 -4.97 120.51 115.53 1oqa n ALA 70 Ca 0.25 -0.29 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1oqa n ALA 70 Cb 0.75 -0.15 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 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 4.52 1.68 0.00 0.00 1.08 -1.86 -1.91 117.51 121.02 1oqa h ILE 71 Ca -0.24 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 61.84 1oqa h ILE 71 Cb 1.10 3.29 0.00 0.00 -3.07 0.00 0.00 36.82 38.14 1oqa h ILE 71 CO -0.12 0.62 0.00 1.23 -0.69 0.00 0.00 178.15 179.19 1oqa h GLY 72 N -0.83 0.00 0.23 5.37 0.00 -1.87 -1.65 103.07 104.32 1oqa h GLY 72 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1oqa h GLY 72 CO 0.03 0.00 -1.30 -1.06 0.00 0.00 0.00 176.54 174.21 1oqa n GLN 73 N -2.90 0.30 -0.03 4.80 6.02 -1.24 -4.27 117.38 120.06 1oqa n GLN 73 Ca 0.01 -0.06 -0.06 0.00 -0.01 0.00 0.00 57.00 56.88 1oqa n GLN 73 Cb 0.26 -1.54 -0.13 0.00 1.02 0.00 0.00 30.24 29.85 1oqa n GLN 73 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1oqa n MET 74 N -1.90 0.65 -4.35 -1.09 2.81 -0.72 -4.93 117.12 107.59 1oqa n MET 74 Ca 0.01 0.16 -0.30 0.00 -1.81 0.00 0.00 57.70 55.77 1oqa n MET 74 Cb 0.44 -1.70 -0.11 0.00 -0.71 0.00 0.00 33.22 31.13 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 0.90 2.12 -4.11 0.00 0.00 -1.26 -4.73 120.64 113.57 1oqa n GLU 76 Ca -0.15 -2.70 -0.09 0.00 0.00 0.00 0.00 57.16 54.21 1oqa n GLU 76 Cb 0.53 -2.06 -0.10 0.00 0.00 0.00 0.00 31.44 29.81 1oqa n GLU 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1oqa s ALA 77 N -2.96 0.66 0.13 4.31 0.00 -1.26 -5.02 121.76 117.62 1oqa s ALA 77 Ca 0.51 -1.33 -0.31 0.00 0.00 0.00 0.00 51.96 50.84 1oqa s ALA 77 Cb 0.43 0.77 -0.07 0.00 0.00 0.00 0.00 23.12 24.25 1oqa s ALA 77 CO 0.10 -0.49 1.29 -1.25 0.00 0.00 0.00 175.76 175.41 1oqa s PRO 78 N -4.01 4.39 -0.20 0.00 0.04 -1.26 -4.71 135.00 129.24 1oqa s PRO 78 Ca 0.20 1.96 -0.09 0.00 0.04 0.00 0.00 61.00 63.10 1oqa s PRO 78 Cb 0.07 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 1oqa s PRO 78 CO -0.01 -0.30 0.12 0.08 0.04 0.00 0.00 177.00 176.94 1oqa s VAL 79 N 0.71 5.22 0.04 -0.36 1.01 -1.24 0.13 120.40 125.90 1oqa s VAL 79 Ca 0.59 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 1oqa s VAL 79 Cb -0.34 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1oqa s VAL 79 CO 0.33 0.43 0.09 0.68 0.00 0.00 0.00 175.10 176.63 1oqa s VAL 80 N 0.51 0.13 0.00 2.92 -7.23 0.14 -2.54 120.40 114.33 1oqa s VAL 80 Ca 0.07 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1oqa s VAL 80 Cb -0.12 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.92 1oqa s VAL 80 CO -0.00 -0.61 0.00 0.35 -0.31 0.00 0.00 175.10 174.53 1oqa n THR 81 N 0.75 0.00 0.55 5.32 -2.24 0.17 0.12 114.28 118.95 1oqa n THR 81 Ca -0.19 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1oqa n THR 81 Cb 0.59 -0.25 0.16 0.00 -2.10 0.00 0.00 70.33 68.72 1oqa n THR 81 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1oqa h ARG 82 N 0.00 0.00 -0.71 -0.78 3.08 -1.90 -3.35 114.38 110.72 1oqa h ARG 82 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1oqa h ARG 82 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1oqa h ARG 82 CO 0.00 0.00 0.47 0.93 -1.07 0.00 0.00 179.97 180.30 1oqa h GLU 83 N 0.00 0.47 0.59 0.04 4.39 -1.93 -0.71 114.58 117.44 1oqa h GLU 83 Ca 0.00 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1oqa h GLU 83 Cb 0.75 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1oqa h GLU 83 CO 0.00 0.31 -0.38 2.35 -1.16 0.00 0.00 179.01 180.13 1oqa h TRP 84 N 0.49 -1.02 -0.25 4.33 7.01 -1.91 0.89 115.95 125.49 1oqa h TRP 84 Ca 0.33 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.35 1oqa h TRP 84 Cb 0.64 0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 28.04 1oqa h TRP 84 CO -0.00 -0.58 0.10 0.28 -2.79 0.00 0.00 178.44 175.45 1oqa h VAL 85 N -0.93 0.96 -0.41 2.65 2.07 -1.65 0.14 116.25 119.08 1oqa h VAL 85 Ca -0.07 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1oqa h VAL 85 Cb 0.76 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1oqa h VAL 85 CO 0.06 0.04 0.20 0.25 0.02 0.00 0.00 177.57 178.14 1oqa h LEU 86 N 0.22 0.54 -1.09 2.57 5.85 -1.01 0.57 115.31 122.97 1oqa h LEU 86 Ca 0.11 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1oqa h LEU 86 Cb 0.06 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1oqa h LEU 86 CO -0.09 0.51 0.12 -0.78 -0.34 0.00 0.00 178.44 177.86 1oqa h ASP 87 N 0.52 0.71 0.04 1.25 3.58 0.11 0.44 116.42 123.07 1oqa h ASP 87 Ca 0.14 -0.12 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 1oqa h ASP 87 Cb 0.12 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.00 1oqa h ASP 87 CO -0.02 0.71 -0.62 0.28 -2.88 0.00 0.00 179.24 176.71 1oqa h SER 88 N 0.74 0.48 0.75 2.28 0.02 -0.36 -2.72 113.55 114.74 1oqa h SER 88 Ca 0.17 -0.82 -0.08 0.00 -0.84 0.00 0.00 61.79 60.22 1oqa h SER 88 Cb 0.28 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1oqa h SER 88 CO -0.00 1.24 -0.37 0.58 -1.14 0.00 0.00 176.83 177.14 1oqa h VAL 89 N -0.23 0.94 0.08 2.27 2.07 0.27 1.20 116.25 122.84 1oqa h VAL 89 Ca -0.09 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 1oqa h VAL 89 Cb 1.37 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1oqa h VAL 89 CO 0.12 0.37 -0.04 0.00 0.02 0.00 0.00 177.57 178.04 1oqa h ALA 90 N 1.63 -0.10 -0.02 1.67 0.00 -0.18 -3.33 119.26 118.92 1oqa h ALA 90 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1oqa h ALA 90 Cb 0.85 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1oqa h ALA 90 CO 0.05 -0.20 -0.17 -0.11 0.00 0.00 0.00 179.25 178.82 1oqa n LEU 91 N -4.82 2.05 -2.95 0.00 7.94 -1.03 -5.01 117.00 113.18 1oqa n LEU 91 Ca -0.08 -0.69 -0.13 0.00 -1.11 0.00 0.00 56.01 54.00 1oqa n LEU 91 Cb 0.30 -0.02 0.01 0.00 0.53 0.00 0.00 43.42 44.24 1oqa n LEU 91 CO 0.28 0.36 -0.00 0.00 -1.11 0.00 0.00 177.39 176.91 1oqa n TYR 92 N 0.37 -3.38 -3.48 1.96 4.19 0.40 -5.04 117.16 112.18 1oqa n TYR 92 Ca 0.14 1.37 0.03 0.00 3.31 0.00 0.00 57.90 62.74 1oqa n TYR 92 Cb 0.46 -3.74 -0.05 0.00 0.49 0.00 0.00 39.34 36.50 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 -2.58 0.04 -0.86 2.98 0.74 -0.50 -4.97 119.66 114.51 1oqa s GLN 93 Ca 0.27 0.07 -0.26 0.00 0.05 0.00 0.00 55.36 55.50 1oqa s GLN 93 Cb -0.07 0.02 -0.17 0.00 1.10 0.00 0.00 33.01 33.90 1oqa s GLN 93 CO 0.79 -0.01 2.33 0.00 -0.55 0.00 0.00 175.29 177.85 1oqa s GLN 95 N 8.77 0.30 -0.00 0.00 -1.52 -1.26 -4.98 119.66 120.97 1oqa s GLN 95 Ca 0.91 0.85 -0.27 0.00 -1.95 0.00 0.00 55.36 54.90 1oqa s GLN 95 Cb -0.13 -1.70 -0.04 0.00 -0.22 0.00 0.00 33.01 30.93 1oqa s GLN 95 CO 0.12 -2.91 0.87 -1.83 -0.25 0.00 0.00 175.29 171.29 1oqa s GLU 96 N -4.75 4.53 0.41 2.91 -1.05 -1.26 -4.94 118.70 114.55 1oqa s GLU 96 Ca 0.66 1.22 0.15 0.00 -0.15 0.00 0.00 54.97 56.85 1oqa s GLU 96 Cb -0.21 -3.44 0.89 0.00 -0.44 0.00 0.00 34.13 30.93 1oqa s GLU 96 CO 0.60 0.05 1.90 -0.07 0.95 0.00 0.00 175.26 178.68 1oqa h LEU 97 N 6.54 0.00 -2.30 1.83 4.07 -1.96 -2.58 115.31 120.91 1oqa h LEU 97 Ca -0.42 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.58 1oqa h LEU 97 Cb 1.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 1oqa h LEU 97 CO 0.74 0.29 0.17 -0.78 -1.08 0.00 0.00 178.44 177.78 1oqa h ASP 98 N 0.00 0.00 1.19 -0.43 3.58 -1.95 0.44 116.42 119.24 1oqa h ASP 98 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1oqa h ASP 98 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1oqa h ASP 98 CO 0.04 0.00 -0.02 0.41 -2.88 0.00 0.00 179.24 176.79 1oqa n THR 99 N -3.70 0.25 -2.44 2.25 -1.04 -0.97 -3.82 114.28 104.81 1oqa n THR 99 Ca 0.00 -0.12 0.03 0.00 -2.04 0.00 0.00 64.05 61.92 1oqa n THR 99 Cb 0.28 -0.52 0.01 0.00 -1.82 0.00 0.00 70.33 68.28 1oqa n THR 99 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1oqa n TYR 100 N -1.82 0.00 -3.50 -1.42 4.01 0.70 -5.03 117.16 110.10 1oqa n TYR 100 Ca 0.06 -0.49 -0.31 0.00 -0.16 0.00 0.00 57.90 57.00 1oqa n TYR 100 Cb 0.38 -0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 39.28 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 0.00 4.19 -0.49 7.72 0.20 0.12 -0.66 118.68 129.76 1oqa s LEU 101 Ca 0.30 0.77 0.02 0.00 0.69 0.00 0.00 54.13 55.91 1oqa s LEU 101 Cb 0.34 -3.53 0.13 0.00 -0.43 0.00 0.00 46.19 42.70 1oqa s LEU 101 CO -0.15 -0.04 0.24 -0.63 -0.29 0.00 0.00 176.35 175.48 1oqa s ILE 102 N -1.79 2.78 0.00 6.68 1.01 -1.05 -4.93 121.20 123.90 1oqa s ILE 102 Ca 0.45 -2.96 0.00 0.00 0.00 0.00 0.00 60.65 58.14 1oqa s ILE 102 Cb -0.11 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1oqa s ILE 102 CO 0.23 -0.76 0.00 -0.81 0.00 0.00 0.00 174.94 173.60 1oqa n PRO 103 N 3.53 0.05 -3.56 2.79 -0.04 -1.26 -4.90 135.00 131.61 1oqa n PRO 103 Ca 0.05 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.14 1oqa n PRO 103 Cb 0.36 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.74 1oqa n PRO 103 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1oqa s GLN 104 N -2.53 4.20 -0.22 0.54 -0.21 -1.26 -4.75 119.66 115.44 1oqa s GLN 104 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 55.36 55.29 1oqa s GLN 104 Cb 0.00 -3.47 0.04 0.00 1.00 0.00 0.00 33.01 30.58 1oqa s GLN 104 CO 0.00 0.16 0.19 -0.89 -2.12 0.00 0.00 175.29 172.63 1oqa n ILE 105 N 3.86-12.69 0.04 1.08 -0.00 -1.26 -4.90 119.36 105.49 1oqa n ILE 105 Ca -0.12 2.57 -0.16 0.00 -0.00 0.00 0.00 62.75 65.04 1oqa n ILE 105 Cb 0.52 -6.63 -0.10 0.00 -0.00 0.00 0.00 39.64 33.42 1oqa n ILE 105 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 1oqa h PRO 106 N 3.89 -0.63 -4.82 0.38 0.11 -2.02 -3.35 132.00 125.56 1oqa h PRO 106 Ca -0.44 0.04 -0.69 0.00 0.11 0.00 0.00 66.00 65.02 1oqa h PRO 106 Cb 0.99 0.14 -0.19 0.00 0.11 0.00 0.00 31.00 32.05 1oqa h PRO 106 CO 0.03 -0.42 0.12 -1.01 -0.21 0.00 0.00 178.00 176.52 1oqa s HIS 107 N -5.73 2.99 0.00 0.65 3.76 -1.26 -4.63 115.29 111.07 1oqa s HIS 107 Ca -0.16 -0.80 0.00 0.00 -0.15 0.00 0.00 55.06 53.95 1oqa s HIS 107 Cb 0.07 -3.89 0.00 0.00 1.11 0.00 0.00 32.58 29.87 1oqa s HIS 107 CO 0.61 -1.24 0.00 0.45 -0.85 0.00 0.00 174.74 173.71 1oqa n SER 108 N 6.38 0.00 0.15 1.40 2.88 -1.26 -5.07 113.62 118.10 1oqa n SER 108 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1oqa n SER 108 Cb 0.43 0.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1oqa n SER 108 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1oqa n HIS 109 N -2.22 -3.39 1.04 0.66 8.25 -1.26 -5.23 115.22 113.07 1oqa n HIS 109 Ca 0.00 0.92 0.12 0.00 -0.26 0.00 0.00 57.72 58.50 1oqa n HIS 109 Cb 0.00 2.27 0.14 0.00 1.12 0.00 0.00 29.99 33.51 1oqa n HIS 109 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64