#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 -6.28 -4.27 1.61 7.64 -1.26 -4.97 113.62 106.09 1oqa n SER 2 Ca 0.00 -0.68 -0.43 0.00 1.01 0.00 0.00 58.87 58.77 1oqa n SER 2 Cb 0.00 -5.03 -0.07 0.00 -1.01 0.00 0.00 64.21 58.10 1oqa n SER 2 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1oqa s GLN 3 N -4.38 2.72 -0.16 1.43 -0.21 -1.26 -4.91 119.66 112.89 1oqa s GLN 3 Ca 0.42 -1.68 -0.17 0.00 0.02 0.00 0.00 55.36 53.95 1oqa s GLN 3 Cb -0.06 -4.06 -0.23 0.00 1.00 0.00 0.00 33.01 29.66 1oqa s GLN 3 CO 0.71 -1.21 0.38 0.22 -2.12 0.00 0.00 175.29 173.27 1oqa h ASP 4 N 8.63 0.20 0.00 5.90 1.82 -2.03 -3.49 116.42 127.45 1oqa h ASP 4 Ca -0.25 -0.73 0.00 0.00 -0.39 0.00 0.00 57.03 55.66 1oqa h ASP 4 Cb 1.09 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1oqa h ASP 4 CO 0.92 1.58 0.00 -1.14 -1.61 0.00 0.00 179.24 178.98 1oqa n ARG 5 N -4.10 0.00 -1.31 0.28 0.00 -1.26 -5.17 116.66 105.10 1oqa n ARG 5 Ca -0.29 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 57.72 1oqa n ARG 5 Cb 0.81 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.21 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 -1.56 -2.65 -0.00 -0.14 4.76 -1.26 -4.66 118.16 112.64 1oqa n LYS 6 Ca 0.00 1.99 0.05 0.00 -2.87 0.00 0.00 58.31 57.48 1oqa n LYS 6 Cb 0.00 -3.25 -0.08 0.00 -1.84 0.00 0.00 35.03 29.86 1oqa n LYS 6 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1oqa n ILE 7 N -3.95 0.00 -0.12 -0.18 -5.35 -0.42 -4.71 119.36 104.64 1oqa n ILE 7 Ca -0.03 -0.24 -0.24 0.00 -0.27 0.00 0.00 62.75 61.96 1oqa n ILE 7 Cb 0.65 0.27 -0.11 0.00 -1.74 0.00 0.00 39.64 38.72 1oqa n ILE 7 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1oqa n PHE 8 N -1.85 0.63 -2.99 4.28 3.72 0.27 -4.41 117.46 117.11 1oqa n PHE 8 Ca -0.02 0.27 -0.00 0.00 -0.05 0.00 0.00 57.45 57.65 1oqa n PHE 8 Cb 0.27 -1.05 -0.00 0.00 -0.94 0.00 0.00 39.48 37.76 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 -4.37 -1.72 -1.76 -1.08 0.63 -1.22 -4.59 116.66 102.54 1oqa n ARG 9 Ca -0.39 1.66 -0.01 0.00 -0.92 0.00 0.00 57.85 58.19 1oqa n ARG 9 Cb 0.74 -2.65 0.00 0.00 0.45 0.00 0.00 32.46 31.00 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 1.28 -0.68 3.22 5.14 0.00 -1.23 -4.89 105.19 108.04 1oqa n GLY 10 Ca -0.03 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.70 1.47 -0.19 0.99 1.43 -1.26 -1.74 118.68 117.69 1oqa s LEU 11 Ca 0.03 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.27 1oqa s LEU 11 Cb -0.01 0.89 0.08 0.00 0.03 0.00 0.00 46.19 47.18 1oqa s LEU 11 CO 0.14 -0.76 0.15 -1.61 0.23 0.00 0.00 176.35 174.50 1oqa s GLU 12 N -3.92 0.12 -0.08 1.70 8.01 0.19 0.12 118.70 124.84 1oqa s GLU 12 Ca 0.11 0.03 0.03 0.00 0.01 0.00 0.00 54.97 55.15 1oqa s GLU 12 Cb 0.05 -1.56 0.01 0.00 -4.31 0.00 0.00 34.13 28.32 1oqa s GLU 12 CO -0.07 -0.67 -0.17 0.42 0.01 0.00 0.00 175.26 174.78 1oqa s ILE 13 N 2.22 1.50 -0.01 -1.63 1.01 -0.79 0.13 121.20 123.63 1oqa s ILE 13 Ca 0.04 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1oqa s ILE 13 Cb -0.16 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 1oqa s ILE 13 CO -0.11 0.44 -0.07 0.00 0.00 0.00 0.00 174.94 175.19 1oqa s TYR 16 N 1.45 3.51 0.00 0.00 1.51 -1.17 -4.94 117.35 117.71 1oqa s TYR 16 Ca 0.02 0.77 0.00 0.00 -1.01 0.00 0.00 57.07 56.85 1oqa s TYR 16 Cb -0.22 -2.42 0.00 0.00 -0.11 0.00 0.00 41.96 39.21 1oqa s TYR 16 CO 0.03 0.26 0.00 0.41 -1.11 0.00 0.00 175.55 175.14 1oqa n GLY 17 N 3.14 -0.54 0.00 0.71 0.00 -1.26 -4.52 105.19 102.72 1oqa n GLY 17 Ca -0.10 -1.62 0.15 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.24 0.96 0.00 1.61 -0.04 -1.26 -4.82 135.00 131.21 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 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.99 0.00 0.00 0.54 3.01 -1.26 -3.03 117.46 115.73 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 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1oqa n PHE 19 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1oqa n THR 20 N 0.00 0.00 0.00 4.37 5.66 -1.26 -1.81 114.28 121.23 1oqa n THR 20 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1oqa n THR 20 Cb 0.00 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 1oqa n THR 20 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1oqa n ASN 21 N -2.42 0.00 -2.68 1.09 5.03 -1.17 -4.90 115.26 110.21 1oqa n ASN 21 Ca 0.00 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.40 1oqa n ASN 21 Cb 0.00 -0.01 0.08 0.00 -1.02 0.00 0.00 39.78 38.82 1oqa n ASN 21 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.26 176.58 1oqa n MET 22 N -1.29 0.52 -0.24 3.52 0.00 -1.25 -4.97 117.12 113.42 1oqa n MET 22 Ca 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 57.70 56.57 1oqa n MET 22 Cb 0.00 -0.29 0.13 0.00 0.00 0.00 0.00 33.22 33.06 1oqa n MET 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1oqa n PRO 23 N 0.02 2.04 -0.19 3.17 -0.04 -1.26 -4.27 135.00 134.48 1oqa n PRO 23 Ca -0.08 -1.05 -0.07 0.00 -0.04 0.00 0.00 63.50 62.26 1oqa n PRO 23 Cb 0.73 -1.52 0.02 0.00 -0.04 0.00 0.00 33.50 32.70 1oqa n PRO 23 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1oqa h THR 24 N 1.48 1.17 0.00 0.52 1.35 -1.87 1.01 112.91 116.57 1oqa h THR 24 Ca 0.00 -0.40 -0.16 0.00 -0.55 0.00 0.00 66.41 65.30 1oqa h THR 24 Cb 0.72 0.45 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 1oqa h THR 24 CO 0.10 0.18 -1.31 -0.78 -0.25 0.00 0.00 175.52 173.45 1oqa h ASP 25 N 0.73 0.00 0.64 5.36 1.82 -1.99 -3.07 116.42 119.91 1oqa h ASP 25 Ca 0.19 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.61 1oqa h ASP 25 Cb 0.01 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 1oqa h ASP 25 CO -0.03 0.58 -1.02 -0.61 -1.61 0.00 0.00 179.24 176.54 1oqa h GLN 26 N 0.00 0.21 -0.03 0.28 4.15 -1.74 -2.34 115.11 115.64 1oqa h GLN 26 Ca -0.14 -0.29 -0.15 0.00 0.77 0.00 0.00 58.65 58.84 1oqa h GLN 26 Cb 1.57 0.09 0.01 0.00 0.21 0.00 0.00 27.48 29.36 1oqa h GLN 26 CO 0.05 1.06 -0.56 1.25 -1.93 0.00 0.00 178.83 178.70 1oqa h LEU 27 N 0.09 0.55 -1.46 -2.39 5.85 0.94 -2.58 115.31 116.31 1oqa h LEU 27 Ca -0.07 -0.72 -0.05 0.00 0.84 0.00 0.00 57.88 57.87 1oqa h LEU 27 Cb 1.71 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 1oqa h LEU 27 CO 0.16 1.19 -0.26 1.05 -0.34 0.00 0.00 178.44 180.24 1oqa h GLU 28 N -0.05 0.00 0.00 1.25 -0.00 -1.62 -2.06 114.58 112.10 1oqa h GLU 28 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.30 1oqa h GLU 28 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.00 1oqa h GLU 28 CO 0.11 0.26 -0.00 2.35 -0.00 0.00 0.00 179.01 181.73 1oqa h TRP 29 N 0.00 -0.00 -0.26 2.06 7.01 -1.40 -0.34 115.95 123.02 1oqa h TRP 29 Ca -0.00 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1oqa h TRP 29 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.58 1oqa h TRP 29 CO 0.00 0.46 0.06 0.52 -2.79 0.00 0.00 178.44 176.69 1oqa h MET 30 N -0.47 0.16 -0.47 2.65 2.86 -1.26 0.30 114.93 118.72 1oqa h MET 30 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1oqa h MET 30 Cb 0.46 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1oqa h MET 30 CO 0.00 0.11 0.29 -0.39 1.06 0.00 0.00 176.91 177.98 1oqa h VAL 31 N 0.17 1.14 -0.59 -2.22 -1.51 -1.40 -0.80 116.25 111.03 1oqa h VAL 31 Ca 0.12 -0.28 0.07 0.00 -1.23 0.00 0.00 66.70 65.37 1oqa h VAL 31 Cb 0.11 0.49 -0.04 0.00 -2.13 0.00 0.00 31.29 29.72 1oqa h VAL 31 CO -0.14 0.13 0.39 1.56 -1.23 0.00 0.00 177.57 178.29 1oqa h GLN 32 N 0.63 0.54 0.00 5.19 1.08 -0.41 0.28 115.11 122.41 1oqa h GLN 32 Ca 0.17 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1oqa h GLN 32 Cb -0.03 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1oqa h GLN 32 CO -0.03 0.35 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.06 1oqa h LEU 33 N 0.55 0.00 -0.90 1.46 -0.00 0.98 -2.56 115.31 114.84 1oqa h LEU 33 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 1oqa h LEU 33 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1oqa h LEU 33 CO -0.08 0.07 -0.21 0.00 -0.00 0.00 0.00 178.44 178.22 1oqa n GLY 35 N 1.32 2.00 3.51 0.00 0.00 -0.93 0.97 105.19 112.06 1oqa n GLY 35 Ca 0.14 0.00 -0.30 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 -1.97 0.19 -0.02 4.61 0.00 -0.76 -3.54 121.76 120.26 1oqa s ALA 36 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1oqa s ALA 36 Cb 0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1oqa s ALA 36 CO 0.00 -3.84 -0.13 0.45 0.00 0.00 0.00 175.76 172.23 1oqa s SER 37 N -3.58 1.59 -0.25 0.00 0.15 0.33 -3.97 113.70 107.96 1oqa s SER 37 Ca 0.70 -0.25 -0.29 0.00 0.70 0.00 0.00 55.95 56.81 1oqa s SER 37 Cb -0.12 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 1oqa s SER 37 CO 0.57 0.15 1.51 0.54 1.20 0.00 0.00 173.24 177.21 1oqa s VAL 38 N -0.17 3.84 -0.25 4.45 0.11 -1.26 -1.89 120.40 125.23 1oqa s VAL 38 Ca 0.02 0.95 -0.16 0.00 -2.93 0.00 0.00 61.98 59.86 1oqa s VAL 38 Cb -0.07 -3.87 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 1oqa s VAL 38 CO 0.00 -0.37 0.44 -0.69 -3.33 0.00 0.00 175.10 171.16 1oqa s VAL 39 N 4.95 5.13 0.15 2.04 1.01 -1.17 -4.96 120.40 127.55 1oqa s VAL 39 Ca 0.66 0.74 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 1oqa s VAL 39 Cb -0.22 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1oqa s VAL 39 CO 0.27 0.15 1.78 0.11 0.00 0.00 0.00 175.10 177.41 1oqa h LYS 40 N 7.93 0.35 -4.99 2.72 1.79 -1.93 -3.41 116.57 119.02 1oqa h LYS 40 Ca -0.31 -0.02 -0.49 0.00 -2.18 0.00 0.00 60.65 57.64 1oqa h LYS 40 Cb 1.15 -0.08 -0.14 0.00 -1.58 0.00 0.00 32.23 31.59 1oqa h LYS 40 CO 0.69 0.23 -0.54 -1.21 -1.08 0.00 0.00 179.45 177.54 1oqa s GLU 41 N -6.16 1.77 0.07 3.15 0.41 -1.26 -4.99 118.70 111.69 1oqa s GLU 41 Ca -0.13 -2.04 -0.17 0.00 -0.41 0.00 0.00 54.97 52.22 1oqa s GLU 41 Cb 0.11 -0.38 -0.12 0.00 -1.78 0.00 0.00 34.13 31.96 1oqa s GLU 41 CO 0.71 -0.45 1.35 -0.07 -0.49 0.00 0.00 175.26 176.31 1oqa h LEU 42 N 2.00 0.65 0.00 1.80 3.38 -1.95 -2.94 115.31 118.25 1oqa h LEU 42 Ca -0.34 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1oqa h LEU 42 Cb 1.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1oqa h LEU 42 CO 0.55 1.05 0.00 -0.24 0.09 0.00 0.00 178.44 179.88 1oqa n SER 43 N -4.30 0.00 0.16 -0.43 2.88 -1.26 -3.05 113.62 107.61 1oqa n SER 43 Ca -0.05 -0.15 0.13 0.00 -1.33 0.00 0.00 58.87 57.47 1oqa n SER 43 Cb 0.49 -0.25 0.48 0.00 -0.75 0.00 0.00 64.21 64.18 1oqa n SER 43 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1oqa h SER 44 N 0.00 0.00 -1.83 -3.46 0.02 -1.92 -3.45 113.55 102.91 1oqa h SER 44 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 1oqa h SER 44 Cb 0.20 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.78 1oqa h SER 44 CO 0.00 0.00 0.77 0.49 -1.14 0.00 0.00 176.83 176.95 1oqa n PHE 45 N -2.45 1.97 -0.12 3.45 3.72 -1.17 -4.84 117.46 118.02 1oqa n PHE 45 Ca 0.03 0.41 0.06 0.00 -0.05 0.00 0.00 57.45 57.91 1oqa n PHE 45 Cb 0.32 -2.47 0.39 0.00 -0.94 0.00 0.00 39.48 36.78 1oqa n PHE 45 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1oqa h THR 46 N 4.29 1.03 -3.34 4.37 2.02 -1.94 -3.46 112.91 115.89 1oqa h THR 46 Ca -0.47 -0.23 -0.39 0.00 0.77 0.00 0.00 66.41 66.09 1oqa h THR 46 Cb 1.30 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1oqa h THR 46 CO 0.88 0.12 -0.52 0.18 0.37 0.00 0.00 175.52 176.55 1oqa n LEU 47 N -4.47 -1.94 0.00 2.58 4.77 -1.26 -4.97 117.00 111.70 1oqa n LEU 47 Ca 0.08 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1oqa n LEU 47 Cb 0.20 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.44 1oqa n LEU 47 CO 0.34 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1oqa n GLY 48 N -1.06 0.74 0.03 -0.72 0.00 -1.26 -5.04 105.19 97.88 1oqa n GLY 48 Ca -0.22 -1.33 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 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 0.41 -1.34 2.61 -1.04 -1.26 -4.67 114.28 108.99 1oqa n THR 49 Ca 0.00 -0.20 -0.30 0.00 -2.04 0.00 0.00 64.05 61.51 1oqa n THR 49 Cb 0.00 -0.80 0.11 0.00 -1.82 0.00 0.00 70.33 67.82 1oqa n THR 49 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1oqa n GLY 50 N 2.91 5.42 3.28 3.41 0.00 -1.26 -4.88 105.19 114.08 1oqa n GLY 50 Ca -0.11 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 -4.26 -0.33 -0.27 1.61 1.01 -1.25 -4.38 120.40 112.53 1oqa s VAL 51 Ca 0.61 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.61 1oqa s VAL 51 Cb 0.49 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 1oqa s VAL 51 CO 0.03 0.05 0.17 -2.28 0.00 0.00 0.00 175.10 173.07 1oqa s HIS 52 N 1.99 3.21 0.11 5.22 5.65 -0.71 -4.48 115.29 126.28 1oqa s HIS 52 Ca -0.06 0.05 -0.30 0.00 0.25 0.00 0.00 55.06 55.00 1oqa s HIS 52 Cb -0.10 -2.34 -0.06 0.00 -1.18 0.00 0.00 32.58 28.90 1oqa s HIS 52 CO -0.13 -0.16 1.03 -1.25 -0.65 0.00 0.00 174.74 173.58 1oqa s PRO 53 N 1.65 4.62 0.10 2.88 0.04 -1.26 -0.64 135.00 142.38 1oqa s PRO 53 Ca 0.07 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.64 1oqa s PRO 53 Cb -0.16 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 1oqa s PRO 53 CO 0.09 0.08 0.08 0.42 0.04 0.00 0.00 177.00 177.71 1oqa s ILE 54 N 0.20 0.15 0.03 0.56 -1.09 0.35 -4.25 121.20 117.16 1oqa s ILE 54 Ca 0.50 -1.65 0.01 0.00 -2.23 0.00 0.00 60.65 57.28 1oqa s ILE 54 Cb -0.25 -1.68 -0.02 0.00 -1.58 0.00 0.00 42.46 38.92 1oqa s ILE 54 CO 0.31 -0.67 -0.05 -0.69 -1.23 0.00 0.00 174.94 172.60 1oqa s VAL 55 N -3.95 0.34 0.24 2.92 1.01 0.32 -2.61 120.40 118.66 1oqa s VAL 55 Ca 0.13 -1.06 0.11 0.00 0.00 0.00 0.00 61.98 61.16 1oqa s VAL 55 Cb 0.07 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 1oqa s VAL 55 CO -0.05 -0.48 -0.19 -0.69 0.00 0.00 0.00 175.10 173.68 1oqa s VAL 56 N -1.59 2.24 0.35 2.92 1.01 0.10 -0.08 120.40 125.35 1oqa s VAL 56 Ca -0.11 -2.25 -0.04 0.00 0.00 0.00 0.00 61.98 59.58 1oqa s VAL 56 Cb -0.09 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1oqa s VAL 56 CO -0.01 -0.38 0.53 1.33 0.00 0.00 0.00 175.10 176.57 1oqa n VAL 57 N -0.31 0.00 0.00 2.92 0.24 0.34 -3.02 118.33 118.49 1oqa n VAL 57 Ca -0.08 -1.63 0.00 0.00 -2.04 0.00 0.00 64.34 60.59 1oqa n VAL 57 Cb 0.59 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 1oqa n VAL 57 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1oqa n GLN 58 N -0.56 0.00 -1.53 7.34 7.27 -1.26 -3.08 117.38 125.56 1oqa n GLN 58 Ca -0.01 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.80 1oqa n GLN 58 Cb 0.58 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.12 1oqa n GLN 58 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1oqa n PRO 59 N 0.00 0.49 0.00 3.69 -0.02 -1.26 -4.00 135.00 133.90 1oqa n PRO 59 Ca 0.00 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 1oqa n PRO 59 Cb 0.00 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 30.76 1oqa n PRO 59 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1oqa n ASP 60 N 13.92 0.00 -1.96 2.55 -0.08 -1.26 -4.95 116.55 124.76 1oqa n ASP 60 Ca 0.52 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.56 1oqa n ASP 60 Cb 0.34 0.27 0.05 0.00 2.34 0.00 0.00 41.12 44.11 1oqa n ASP 60 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1oqa n ALA 61 N -2.05 5.16 0.01 -1.67 0.00 -0.75 -4.66 120.51 116.56 1oqa n ALA 61 Ca 0.00 -3.68 -0.09 0.00 0.00 0.00 0.00 53.44 49.67 1oqa n ALA 61 Cb 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 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 2.03 0.05 0.00 0.00 4.06 -1.86 -3.40 115.95 116.83 1oqa h TRP 62 Ca 0.39 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.30 1oqa h TRP 62 Cb 1.39 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.55 1oqa h TRP 62 CO 0.96 1.06 0.00 2.41 -3.56 0.00 0.00 178.44 179.31 1oqa n THR 63 N -3.19 0.00 -2.98 1.49 -1.04 -1.26 -4.44 114.28 102.86 1oqa n THR 63 Ca -0.12 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.83 1oqa n THR 63 Cb 1.02 -0.02 0.01 0.00 -1.82 0.00 0.00 70.33 69.51 1oqa n THR 63 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1oqa n GLU 64 N -2.00 -2.13 0.09 -2.82 2.13 -1.26 -4.99 120.64 109.66 1oqa n GLU 64 Ca 0.00 1.90 0.00 0.00 0.66 0.00 0.00 57.16 59.72 1oqa n GLU 64 Cb 0.00 -3.65 0.00 0.00 0.27 0.00 0.00 31.44 28.06 1oqa n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1oqa n ASP 65 N 0.62 -0.12 0.06 4.31 8.00 -1.26 -4.90 116.55 123.26 1oqa n ASP 65 Ca 0.01 0.32 -0.06 0.00 0.71 0.00 0.00 54.79 55.76 1oqa n ASP 65 Cb 0.31 0.27 -0.11 0.00 -0.02 0.00 0.00 41.12 41.57 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 0.00 0.00 0.00 -2.24 -0.73 -1.94 -3.50 115.58 107.18 1oqa h ASN 66 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1oqa h ASN 66 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1oqa h ASN 66 CO 0.00 0.95 0.00 0.61 -0.37 0.00 0.00 177.43 178.62 1oqa n GLY 67 N 1.36 1.45 0.22 1.57 0.00 -1.26 -4.94 105.19 103.58 1oqa n GLY 67 Ca -0.02 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 45.07 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 2.34 0.00 -1.47 1.61 7.35 -1.26 -4.37 117.46 121.66 1oqa n PHE 68 Ca 0.00 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.36 1oqa n PHE 68 Cb 0.00 -0.08 -0.05 0.00 0.35 0.00 0.00 39.48 39.70 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 -0.59 1.93 -2.34 -5.13 8.25 -1.26 -3.67 115.22 112.40 1oqa n HIS 69 Ca 0.18 -2.58 -0.00 0.00 -0.26 0.00 0.00 57.72 55.05 1oqa n HIS 69 Cb 0.27 -2.00 0.00 0.00 1.12 0.00 0.00 29.99 29.38 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 2.51 -1.66 0.06 -1.41 0.00 -1.26 -5.01 120.51 113.74 1oqa n ALA 70 Ca 0.64 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 54.00 1oqa n ALA 70 Cb 0.40 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 1oqa n ALA 70 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1oqa h ILE 71 N 0.22 0.00 0.00 0.00 1.08 -1.90 -2.60 117.51 114.31 1oqa h ILE 71 Ca -0.02 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 1oqa h ILE 71 Cb 0.94 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1oqa h ILE 71 CO -0.01 0.00 -0.13 1.23 -0.69 0.00 0.00 178.15 178.55 1oqa h GLY 72 N -0.30 0.00 2.00 5.37 0.00 -1.88 -0.47 103.07 107.79 1oqa h GLY 72 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 1oqa h GLY 72 CO 0.03 0.00 -0.43 1.46 0.00 0.00 0.00 176.54 177.60 1oqa h GLN 73 N 0.00 0.00 0.07 4.80 4.20 -1.96 -3.26 115.11 118.97 1oqa h GLN 73 Ca -0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 1oqa h GLN 73 Cb 0.40 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1oqa h GLN 73 CO 0.02 0.43 -2.16 -1.33 -0.67 0.00 0.00 178.83 175.11 1oqa n MET 74 N -3.72 0.72 -3.82 1.46 2.81 -0.85 -4.94 117.12 108.78 1oqa n MET 74 Ca -0.01 0.22 -0.33 0.00 -1.81 0.00 0.00 57.70 55.77 1oqa n MET 74 Cb 0.50 -1.64 -0.05 0.00 -0.71 0.00 0.00 33.22 31.32 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 0.72 2.64 -4.06 0.00 4.07 -1.26 -4.57 120.64 118.18 1oqa n GLU 76 Ca -0.08 -3.26 -0.10 0.00 -0.06 0.00 0.00 57.16 53.66 1oqa n GLU 76 Cb 0.52 -2.27 -0.07 0.00 -0.06 0.00 0.00 31.44 29.56 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 -3.76 0.26 -0.04 4.31 0.00 -1.26 -5.01 121.76 116.27 1oqa s ALA 77 Ca 0.64 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 1oqa s ALA 77 Cb 0.50 1.14 -0.04 0.00 0.00 0.00 0.00 23.12 24.73 1oqa s ALA 77 CO 0.01 -0.74 1.21 -1.25 0.00 0.00 0.00 175.76 174.99 1oqa s PRO 78 N -4.06 4.36 -0.12 0.00 0.04 -1.26 -4.72 135.00 129.25 1oqa s PRO 78 Ca 0.27 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 1oqa s PRO 78 Cb 0.02 -3.53 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 1oqa s PRO 78 CO 0.09 -0.43 0.22 0.08 0.04 0.00 0.00 177.00 176.99 1oqa s VAL 79 N 2.07 5.36 0.09 -0.36 1.01 -1.25 0.12 120.40 127.44 1oqa s VAL 79 Ca 0.57 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 1oqa s VAL 79 Cb -0.26 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1oqa s VAL 79 CO 0.23 0.54 0.21 0.68 0.00 0.00 0.00 175.10 176.76 1oqa s VAL 80 N -0.55 0.13 0.70 2.92 -7.23 0.89 -2.91 120.40 114.36 1oqa s VAL 80 Ca 0.16 -1.10 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 1oqa s VAL 80 Cb -0.13 -1.29 0.01 0.00 0.56 0.00 0.00 36.38 35.54 1oqa s VAL 80 CO 0.05 -0.61 1.07 0.42 -0.31 0.00 0.00 175.10 175.72 1oqa s THR 81 N -3.75 3.84 0.63 5.32 -4.23 0.97 0.13 115.64 118.55 1oqa s THR 81 Ca 0.04 0.63 0.30 0.00 -1.18 0.00 0.00 61.69 61.48 1oqa s THR 81 Cb 0.04 -3.29 0.34 0.00 1.34 0.00 0.00 72.50 70.93 1oqa s THR 81 CO -0.11 -0.75 1.94 0.08 -0.54 0.00 0.00 174.62 175.25 1oqa h ARG 82 N -0.66 0.00 -1.07 3.99 -0.00 -1.89 -1.74 114.38 113.00 1oqa h ARG 82 Ca -0.44 0.00 0.31 0.00 -0.00 0.00 0.00 59.98 59.85 1oqa h ARG 82 Cb 1.22 0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 31.06 1oqa h ARG 82 CO 0.56 0.00 0.66 0.93 -0.00 0.00 0.00 179.97 182.11 1oqa h GLU 83 N 0.00 0.35 0.61 0.08 4.39 -1.90 0.32 114.58 118.42 1oqa h GLU 83 Ca 0.08 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1oqa h GLU 83 Cb 0.79 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1oqa h GLU 83 CO -0.00 0.23 -0.29 2.35 -1.16 0.00 0.00 179.01 180.14 1oqa h TRP 84 N 0.36 -0.76 -0.97 4.33 7.01 -1.67 0.94 115.95 125.18 1oqa h TRP 84 Ca 0.69 -0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.80 1oqa h TRP 84 Cb 1.69 0.25 -0.08 0.00 -2.10 0.00 0.00 29.16 28.92 1oqa h TRP 84 CO -0.01 -0.42 0.62 0.28 -2.79 0.00 0.00 178.44 176.12 1oqa h VAL 85 N -0.99 0.89 0.01 2.65 2.07 -1.03 0.47 116.25 120.32 1oqa h VAL 85 Ca -0.08 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1oqa h VAL 85 Cb 0.68 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1oqa h VAL 85 CO 0.14 0.16 -0.18 0.25 0.02 0.00 0.00 177.57 177.96 1oqa h LEU 86 N 0.90 0.14 -1.41 2.57 6.46 -0.36 -1.13 115.31 122.47 1oqa h LEU 86 Ca 0.49 -0.84 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 1oqa h LEU 86 Cb 0.57 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 1oqa h LEU 86 CO -0.26 0.96 0.36 -0.78 -0.62 0.00 0.00 178.44 178.11 1oqa h ASP 87 N -0.67 0.66 0.02 1.25 1.82 0.13 0.80 116.42 120.43 1oqa h ASP 87 Ca -0.03 -0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.53 1oqa h ASP 87 Cb 1.00 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 40.85 1oqa h ASP 87 CO 0.03 0.49 -0.25 0.28 -1.61 0.00 0.00 179.24 178.19 1oqa h SER 88 N 0.77 0.19 0.79 2.28 0.02 -0.13 -2.93 113.55 114.54 1oqa h SER 88 Ca 0.21 -0.84 -0.07 0.00 -0.84 0.00 0.00 61.79 60.25 1oqa h SER 88 Cb -0.07 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1oqa h SER 88 CO -0.04 1.01 -0.33 0.58 -1.14 0.00 0.00 176.83 176.91 1oqa h VAL 89 N -0.61 0.82 0.47 2.27 2.07 -1.00 1.12 116.25 121.39 1oqa h VAL 89 Ca -0.03 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 1oqa h VAL 89 Cb 1.06 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1oqa h VAL 89 CO 0.05 0.32 -0.22 0.00 0.02 0.00 0.00 177.57 177.74 1oqa h ALA 90 N 1.67 -0.65 0.00 1.67 0.00 0.54 -3.33 119.26 119.17 1oqa h ALA 90 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1oqa h ALA 90 Cb 0.81 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1oqa h ALA 90 CO 0.04 -0.60 -0.47 1.25 0.00 0.00 0.00 179.25 179.47 1oqa h LEU 91 N -1.12 0.00 -2.77 0.00 5.85 -1.59 -3.49 115.31 112.19 1oqa h LEU 91 Ca -0.06 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1oqa h LEU 91 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1oqa h LEU 91 CO 0.10 0.02 -0.13 0.00 -0.34 0.00 0.00 178.44 178.09 1oqa n TYR 92 N -2.68 -1.11 -3.65 1.25 4.19 0.38 -5.07 117.16 110.47 1oqa n TYR 92 Ca 0.03 0.44 -0.01 0.00 3.31 0.00 0.00 57.90 61.67 1oqa n TYR 92 Cb 0.51 -2.35 -0.07 0.00 0.49 0.00 0.00 39.34 37.92 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 -1.83 0.10 -0.92 2.98 2.00 -0.50 -4.98 119.66 116.52 1oqa s GLN 93 Ca 0.07 0.14 -0.26 0.00 -2.00 0.00 0.00 55.36 53.30 1oqa s GLN 93 Cb -0.02 0.04 -0.16 0.00 0.80 0.00 0.00 33.01 33.67 1oqa s GLN 93 CO 0.25 -0.02 2.26 0.00 -0.50 0.00 0.00 175.29 177.29 1oqa s GLN 95 N 8.56 1.24 0.28 0.00 -1.52 -1.26 -4.98 119.66 121.98 1oqa s GLN 95 Ca 0.87 1.03 -0.29 0.00 -1.95 0.00 0.00 55.36 55.01 1oqa s GLN 95 Cb -0.09 -1.79 -0.10 0.00 -0.22 0.00 0.00 33.01 30.81 1oqa s GLN 95 CO 0.11 -2.31 1.11 -1.83 -0.25 0.00 0.00 175.29 172.12 1oqa s GLU 96 N -4.83 4.62 0.08 2.91 1.03 -1.26 -4.95 118.70 116.29 1oqa s GLU 96 Ca 0.64 1.82 0.10 0.00 0.03 0.00 0.00 54.97 57.55 1oqa s GLU 96 Cb -0.19 -3.17 -0.20 0.00 -0.80 0.00 0.00 34.13 29.77 1oqa s GLU 96 CO 0.58 0.19 1.09 -0.07 -1.33 0.00 0.00 175.26 175.72 1oqa h LEU 97 N 3.77 0.00 -2.06 1.83 4.07 -1.96 -3.30 115.31 117.66 1oqa h LEU 97 Ca -0.47 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.54 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 0.67 0.95 0.13 -2.24 -1.08 0.00 0.00 178.44 176.87 1oqa h ASP 98 N 0.00 0.00 1.05 -0.43 3.04 -1.93 0.91 116.42 119.06 1oqa h ASP 98 Ca -0.10 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.69 1oqa h ASP 98 Cb 1.81 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.10 1oqa h ASP 98 CO 0.11 0.00 0.00 0.71 -2.04 0.00 0.00 179.24 178.02 1oqa h THR 99 N 0.00 0.00 0.00 1.15 1.35 -1.98 -3.22 112.91 110.21 1oqa h THR 99 Ca 0.08 -0.45 -0.04 0.00 -0.55 0.00 0.00 66.41 65.45 1oqa h THR 99 Cb 0.34 1.35 -0.08 0.00 -1.73 0.00 0.00 68.15 68.03 1oqa h THR 99 CO -0.00 0.00 -0.57 -1.22 -0.25 0.00 0.00 175.52 173.48 1oqa n TYR 100 N -2.69 0.00 -2.97 4.73 4.01 0.18 -5.05 117.16 115.38 1oqa n TYR 100 Ca 0.02 -0.22 -0.41 0.00 -0.16 0.00 0.00 57.90 57.13 1oqa n TYR 100 Cb 0.31 -0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 39.21 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 -0.32 4.12 -0.37 7.72 0.20 0.29 -0.02 118.68 130.30 1oqa s LEU 101 Ca 0.11 0.99 -0.29 0.00 0.69 0.00 0.00 54.13 55.63 1oqa s LEU 101 Cb 0.11 -3.09 0.01 0.00 -0.43 0.00 0.00 46.19 42.79 1oqa s LEU 101 CO -0.03 -0.40 1.26 -0.63 -0.29 0.00 0.00 176.35 176.25 1oqa s ILE 102 N 2.35 4.15 0.00 6.68 -1.09 -1.15 -4.97 121.20 127.17 1oqa s ILE 102 Ca 0.33 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 60.00 1oqa s ILE 102 Cb -0.16 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 1oqa s ILE 102 CO 0.10 -0.67 0.00 -2.65 -1.23 0.00 0.00 174.94 170.48 1oqa n PRO 103 N 7.57 1.12 0.00 2.79 -0.02 -1.26 -4.91 135.00 140.29 1oqa n PRO 103 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1oqa n PRO 103 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 1oqa n PRO 103 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1oqa n GLN 104 N 0.00 0.00 -2.39 -0.52 3.00 -1.26 -4.99 117.38 111.22 1oqa n GLN 104 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1oqa n GLN 104 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 1oqa n GLN 104 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1oqa s ILE 105 N -1.97 4.05 0.30 5.09 -4.36 -1.26 -4.91 121.20 118.15 1oqa s ILE 105 Ca 0.00 1.15 0.06 0.00 -0.26 0.00 0.00 60.65 61.60 1oqa s ILE 105 Cb 0.00 -4.15 0.30 0.00 1.25 0.00 0.00 42.46 39.86 1oqa s ILE 105 CO 0.00 -0.56 1.78 -0.65 0.24 0.00 0.00 174.94 175.76 1oqa h PRO 106 N 9.78 0.75 -5.61 0.37 0.11 -2.06 -3.41 132.00 131.93 1oqa h PRO 106 Ca -0.27 -0.05 -0.51 0.00 0.11 0.00 0.00 66.00 65.28 1oqa h PRO 106 Cb 1.10 -0.17 -0.27 0.00 0.11 0.00 0.00 31.00 31.77 1oqa h PRO 106 CO 1.05 0.50 -0.82 -1.58 -0.21 0.00 0.00 178.00 176.94 1oqa s HIS 107 N -5.85 1.48 -0.31 0.65 2.46 -1.26 -5.12 115.29 107.34 1oqa s HIS 107 Ca -0.11 -0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.10 1oqa s HIS 107 Cb 0.25 -0.91 0.10 0.00 -0.13 0.00 0.00 32.58 31.88 1oqa s HIS 107 CO 0.80 0.02 0.08 0.45 -2.47 0.00 0.00 174.74 173.63 1oqa s SER 108 N -0.81 4.17 -0.45 9.88 0.15 -1.26 -5.08 113.70 120.29 1oqa s SER 108 Ca 0.05 -1.72 -0.27 0.00 0.70 0.00 0.00 55.95 54.70 1oqa s SER 108 Cb -0.07 -1.04 -0.02 0.00 -1.71 0.00 0.00 66.02 63.17 1oqa s SER 108 CO 0.01 -0.40 1.87 -2.28 1.20 0.00 0.00 173.24 173.63 1oqa s HIS 109 N 1.45 1.70 0.00 3.44 2.46 -1.26 -5.26 115.29 117.82 1oqa s HIS 109 Ca 0.09 0.76 0.00 0.00 0.47 0.00 0.00 55.06 56.38 1oqa s HIS 109 Cb -0.18 -4.07 0.00 0.00 -0.13 0.00 0.00 32.58 28.20 1oqa s HIS 109 CO -0.20 -2.67 0.00 0.98 -2.47 0.00 0.00 174.74 170.38