#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9o s GLN 2 N 0.00 2.64 0.54 1.64 0.00 -1.26 -1.09 119.66 122.13 1b9o s GLN 2 Ca 0.00 -1.15 -0.10 0.00 -0.00 0.00 0.00 55.36 54.11 1b9o s GLN 2 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 33.01 29.61 1b9o s GLN 2 CO 0.00 -0.61 0.93 -0.06 0.00 0.00 0.00 175.29 175.55 1b9o s PHE 3 N 1.37 3.57 0.46 9.60 0.08 -0.60 -5.01 117.98 127.45 1b9o s PHE 3 Ca -0.02 1.17 -0.02 0.00 0.12 0.00 0.00 56.93 58.18 1b9o s PHE 3 Cb -0.19 -2.59 -0.02 0.00 -0.57 0.00 0.00 43.02 39.65 1b9o s PHE 3 CO 0.01 -0.47 0.71 0.95 -0.10 0.00 0.00 175.22 176.33 1b9o s THR 4 N -2.89 4.44 0.21 0.64 -4.23 -1.26 -4.83 115.64 107.72 1b9o s THR 4 Ca 0.53 -0.23 -0.09 0.00 -1.18 0.00 0.00 61.69 60.72 1b9o s THR 4 Cb -0.11 -3.67 0.14 0.00 1.34 0.00 0.00 72.50 70.21 1b9o s THR 4 CO 0.45 -0.54 1.76 0.50 -0.54 0.00 0.00 174.62 176.25 1b9o h LYS 5 N 0.35 0.46 -0.12 3.99 3.64 -1.98 -1.67 116.57 121.24 1b9o h LYS 5 Ca -0.47 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 58.74 1b9o h LYS 5 Cb 1.23 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1b9o h LYS 5 CO 0.60 0.31 -0.52 0.00 -2.27 0.00 0.00 179.45 177.57 1b9o h GLU 7 N 0.27 0.60 -0.29 0.00 5.08 -1.84 -2.32 114.58 116.08 1b9o h GLU 7 Ca 0.01 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1b9o h GLU 7 Cb 1.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1b9o h GLU 7 CO 0.09 0.43 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.12 1b9o h LEU 8 N 0.59 0.67 -0.94 1.33 3.38 -1.11 -1.85 115.31 117.39 1b9o h LEU 8 Ca 0.16 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 57.94 1b9o h LEU 8 Cb -0.01 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 1b9o h LEU 8 CO -0.03 0.96 0.58 -1.28 0.09 0.00 0.00 178.44 178.76 1b9o h SER 9 N 0.54 0.88 -0.51 -0.43 0.87 -1.02 0.31 113.55 114.20 1b9o h SER 9 Ca 0.06 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 1b9o h SER 9 Cb 0.84 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1b9o h SER 9 CO 0.07 0.52 -0.11 1.56 -0.53 0.00 0.00 176.83 178.33 1b9o h GLN 10 N 0.99 0.98 -0.16 2.24 1.08 -1.16 -1.81 115.11 117.27 1b9o h GLN 10 Ca 0.44 -0.37 -0.14 0.00 -1.45 0.00 0.00 58.65 57.12 1b9o h GLN 10 Cb 0.32 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1b9o h GLN 10 CO -0.22 1.04 -0.51 -0.07 -0.95 0.00 0.00 178.83 178.12 1b9o h LEU 11 N 0.84 0.49 -1.86 1.46 3.38 -0.48 -3.21 115.31 115.95 1b9o h LEU 11 Ca 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1b9o h LEU 11 Cb 0.68 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1b9o h LEU 11 CO 0.05 0.92 0.00 0.18 0.09 0.00 0.00 178.44 179.68 1b9o n LEU 12 N -3.96 2.79 -0.34 1.67 4.77 0.10 -4.55 117.00 117.47 1b9o n LEU 12 Ca -0.02 -1.16 0.16 0.00 -0.03 0.00 0.00 56.01 54.96 1b9o n LEU 12 Cb 0.57 -0.17 0.37 0.00 -2.33 0.00 0.00 43.42 41.86 1b9o n LEU 12 CO 0.45 0.58 1.19 0.07 -1.33 0.00 0.00 177.39 178.35 1b9o h LYS 13 N 3.73 0.62 0.00 3.23 2.10 -1.33 0.38 116.57 125.30 1b9o h LYS 13 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1b9o h LYS 13 Cb 0.82 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1b9o h LYS 13 CO 0.00 0.41 0.00 -0.25 -2.00 0.00 0.00 179.45 177.61 1b9o n ASP 14 N -4.77 0.36 -0.27 7.07 8.00 -1.26 -2.59 116.55 123.08 1b9o n ASP 14 Ca 0.25 0.54 0.14 0.00 0.71 0.00 0.00 54.79 56.42 1b9o n ASP 14 Cb 0.67 -0.63 0.54 0.00 -0.02 0.00 0.00 41.12 41.68 1b9o n ASP 14 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1b9o n ILE 15 N -1.84 0.00 -1.68 0.53 -5.35 0.12 -4.86 119.36 106.28 1b9o n ILE 15 Ca 0.06 -0.14 -0.45 0.00 -0.27 0.00 0.00 62.75 61.94 1b9o n ILE 15 Cb 0.35 0.23 -0.04 0.00 -1.74 0.00 0.00 39.64 38.44 1b9o n ILE 15 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1b9o n ASP 16 N -0.47 3.54 0.00 7.28 2.03 -1.07 -0.73 116.55 127.12 1b9o n ASP 16 Ca 0.16 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.49 1b9o n ASP 16 Cb 0.31 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 1b9o n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b9o n GLY 17 N 3.99 1.13 3.72 0.27 0.00 -0.22 -4.93 105.19 109.16 1b9o n GLY 17 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1b9o n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1b9o n TYR 18 N -2.00 2.77 -1.28 1.61 4.19 0.09 -0.29 117.16 122.25 1b9o n TYR 18 Ca 0.00 0.06 -0.10 0.00 3.31 0.00 0.00 57.90 61.18 1b9o n TYR 18 Cb 0.00 -2.67 -0.04 0.00 0.49 0.00 0.00 39.34 37.12 1b9o n TYR 18 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1b9o n GLY 19 N 3.74 0.96 2.10 2.98 0.00 -1.26 -1.89 105.19 111.83 1b9o n GLY 19 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1b9o n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b9o n GLY 20 N -0.10 0.58 3.64 -0.02 0.00 0.60 -5.00 105.19 104.89 1b9o n GLY 20 Ca -0.10 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1b9o n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b9o s ILE 21 N -2.07 4.97 0.40 -0.61 -1.09 -0.79 -4.95 121.20 117.06 1b9o s ILE 21 Ca 0.00 0.03 -0.23 0.00 -2.23 0.00 0.00 60.65 58.22 1b9o s ILE 21 Cb 0.00 -3.26 -0.10 0.00 -1.58 0.00 0.00 42.46 37.52 1b9o s ILE 21 CO 0.00 0.43 0.99 0.00 -1.23 0.00 0.00 174.94 175.13 1b9o s ALA 22 N 0.59 3.08 0.22 9.38 0.00 -1.26 -1.06 121.76 132.71 1b9o s ALA 22 Ca 0.05 0.55 -0.13 0.00 0.00 0.00 0.00 51.96 52.43 1b9o s ALA 22 Cb -0.13 -3.21 0.26 0.00 0.00 0.00 0.00 23.12 20.05 1b9o s ALA 22 CO 0.01 -0.01 1.62 1.25 0.00 0.00 0.00 175.76 178.63 1b9o h LEU 23 N 2.39 -0.60 -1.50 0.00 5.85 -1.91 -0.23 115.31 119.32 1b9o h LEU 23 Ca -0.48 0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1b9o h LEU 23 Cb 1.20 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 1b9o h LEU 23 CO 0.62 -0.22 0.34 1.55 -0.34 0.00 0.00 178.44 180.40 1b9o h PRO 24 N 0.01 0.68 -0.72 5.25 0.13 -1.88 -0.35 132.00 135.11 1b9o h PRO 24 Ca 0.32 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.36 1b9o h PRO 24 Cb 0.50 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.44 1b9o h PRO 24 CO -0.68 0.45 0.23 1.49 -0.23 0.00 0.00 178.00 179.25 1b9o h GLU 25 N 0.70 1.11 -0.50 0.86 4.81 -1.39 -0.89 114.58 119.28 1b9o h GLU 25 Ca 0.19 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1b9o h GLU 25 Cb -0.08 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1b9o h GLU 25 CO -0.04 0.95 -0.18 1.25 -0.73 0.00 0.00 179.01 180.26 1b9o h LEU 26 N 1.06 1.03 -0.47 1.64 5.85 -0.64 -1.21 115.31 122.58 1b9o h LEU 26 Ca 0.23 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1b9o h LEU 26 Cb 0.30 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1b9o h LEU 26 CO -0.01 1.18 0.07 0.40 -0.34 0.00 0.00 178.44 179.75 1b9o h ILE 27 N 0.88 1.25 -0.42 4.05 2.04 -0.97 -0.05 117.51 124.29 1b9o h ILE 27 Ca 0.12 -0.91 0.08 0.00 1.00 0.00 0.00 64.86 65.15 1b9o h ILE 27 Cb 0.76 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.71 1b9o h ILE 27 CO 0.06 0.32 -0.07 0.00 0.00 0.00 0.00 178.15 178.46 1b9o h THR 29 N 0.03 1.10 -0.52 0.00 2.02 -0.68 -2.15 112.91 112.71 1b9o h THR 29 Ca 0.20 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 1b9o h THR 29 Cb 0.31 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1b9o h THR 29 CO -0.40 0.13 0.01 0.24 0.37 0.00 0.00 175.52 175.87 1b9o h MET 30 N 0.73 0.87 -0.03 6.66 2.07 -0.53 -1.93 114.93 122.78 1b9o h MET 30 Ca 0.22 -0.24 0.01 0.00 -2.07 0.00 0.00 59.70 57.62 1b9o h MET 30 Cb -0.03 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.60 1b9o h MET 30 CO -0.07 0.87 -0.02 0.35 1.07 0.00 0.00 176.91 179.10 1b9o h PHE 31 N 0.81 -0.05 -0.20 -0.22 3.57 -0.77 0.19 116.94 120.27 1b9o h PHE 31 Ca 0.16 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1b9o h PHE 31 Cb 0.47 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1b9o h PHE 31 CO 0.03 -0.03 0.11 0.45 -2.23 0.00 0.00 178.31 176.63 1b9o h HIS 32 N -0.02 0.25 0.01 0.41 3.86 -1.15 -1.90 115.15 116.61 1b9o h HIS 32 Ca 0.02 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.85 1b9o h HIS 32 Cb 0.05 -0.08 -0.07 0.00 1.06 0.00 0.00 27.41 28.37 1b9o h HIS 32 CO -0.11 0.18 -2.45 0.25 0.86 0.00 0.00 177.93 176.66 1b9o n THR 33 N -4.49 1.51 -0.04 2.45 -2.24 -0.75 -4.69 114.28 106.03 1b9o n THR 33 Ca -0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1b9o n THR 33 Cb 0.09 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 1b9o n THR 33 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b9o n SER 34 N -3.27 0.28 -1.68 3.42 3.41 -0.01 -4.95 113.62 110.81 1b9o n SER 34 Ca -0.45 -0.62 -0.18 0.00 -0.26 0.00 0.00 58.87 57.36 1b9o n SER 34 Cb 1.00 0.60 -0.05 0.00 -0.26 0.00 0.00 64.21 65.50 1b9o n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b9o n GLY 35 N 0.60 0.90 2.22 5.00 0.00 -0.71 -2.39 105.19 110.81 1b9o n GLY 35 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1b9o n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b9o n TYR 36 N -3.10 -0.26 -3.95 1.61 4.01 -1.24 -4.82 117.16 109.41 1b9o n TYR 36 Ca -0.20 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.19 1b9o n TYR 36 Cb 0.63 -2.14 -0.13 0.00 -0.31 0.00 0.00 39.34 37.39 1b9o n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1b9o s ASP 37 N -2.71 4.78 0.55 7.72 -1.08 -1.00 -1.55 116.67 123.37 1b9o s ASP 37 Ca 0.00 -0.25 0.35 0.00 -0.52 0.00 0.00 52.55 52.13 1b9o s ASP 37 Cb 0.00 -1.83 1.60 0.00 -1.46 0.00 0.00 42.92 41.23 1b9o s ASP 37 CO 0.00 0.02 2.05 0.71 0.52 0.00 0.00 175.17 178.47 1b9o h THR 38 N 5.51 0.00 -0.59 1.71 1.35 -1.44 -2.88 112.91 116.57 1b9o h THR 38 Ca -0.38 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1b9o h THR 38 Cb 1.17 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1b9o h THR 38 CO 0.60 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.87 1b9o n GLN 39 N -3.00 2.66 -1.95 4.72 1.13 -1.26 -3.97 117.38 115.72 1b9o n GLN 39 Ca -0.00 -2.47 -0.41 0.00 -1.94 0.00 0.00 57.00 52.17 1b9o n GLN 39 Cb 0.23 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 1b9o n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1b9o s ALA 40 N -1.10 3.67 -0.08 -1.58 0.00 -1.09 -4.78 121.76 116.80 1b9o s ALA 40 Ca 0.42 1.39 -0.00 0.00 0.00 0.00 0.00 51.96 53.77 1b9o s ALA 40 Cb 0.23 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.79 1b9o s ALA 40 CO 0.30 -0.81 -0.04 0.42 0.00 0.00 0.00 175.76 175.64 1b9o s ILE 41 N 0.05 0.65 -0.23 0.00 1.01 -1.26 -0.17 121.20 121.25 1b9o s ILE 41 Ca 0.61 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 61.15 1b9o s ILE 41 Cb -0.43 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.31 1b9o s ILE 41 CO 0.44 0.29 -0.06 -0.69 0.00 0.00 0.00 174.94 174.92 1b9o s VAL 42 N 1.64 3.10 -0.23 2.92 1.01 -0.59 -5.00 120.40 123.25 1b9o s VAL 42 Ca 0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 1b9o s VAL 42 Cb -0.13 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1b9o s VAL 42 CO -0.05 0.35 0.14 -1.61 0.00 0.00 0.00 175.10 173.93 1b9o s GLU 43 N 1.41 4.04 0.37 2.72 2.02 -1.26 -1.12 118.70 126.87 1b9o s GLU 43 Ca 0.04 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 54.78 1b9o s GLU 43 Cb -0.15 -3.49 0.04 0.00 0.10 0.00 0.00 34.13 30.63 1b9o s GLU 43 CO -0.04 0.08 0.31 0.09 0.02 0.00 0.00 175.26 175.71 1b9o n ASN 44 N 4.22 2.04 -0.06 -0.19 3.02 0.51 -5.02 115.26 119.79 1b9o n ASN 44 Ca -0.15 -2.21 -0.08 0.00 -0.03 0.00 0.00 54.58 52.11 1b9o n ASN 44 Cb 0.52 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.61 1b9o n ASN 44 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1b9o h ASP 45 N 0.38 -0.24 0.00 6.41 3.32 -2.04 -3.33 116.42 120.91 1b9o h ASP 45 Ca -0.22 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1b9o h ASP 45 Cb 0.84 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1b9o h ASP 45 CO 0.34 -0.09 0.00 -0.62 -1.72 0.00 0.00 179.24 177.16 1b9o n GLU 46 N -5.23 1.33 -3.72 3.56 1.02 -1.26 -5.05 120.64 111.29 1b9o n GLU 46 Ca -0.01 -1.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.06 1b9o n GLU 46 Cb 0.15 -0.90 -0.02 0.00 -0.02 0.00 0.00 31.44 30.65 1b9o n GLU 46 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1b9o s SER 47 N -0.53 -0.30 0.02 1.62 1.04 -1.25 -4.89 113.70 109.40 1b9o s SER 47 Ca 0.00 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.07 1b9o s SER 47 Cb 0.00 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 1b9o s SER 47 CO 0.00 -1.09 -0.09 -0.89 0.98 0.00 0.00 173.24 172.15 1b9o s THR 48 N -3.63 0.70 -0.06 2.02 2.01 -1.26 -0.36 115.64 115.05 1b9o s THR 48 Ca 0.09 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.44 1b9o s THR 48 Cb -0.03 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1b9o s THR 48 CO 0.01 -0.02 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.12 1b9o s GLU 49 N -0.79 2.57 -0.04 4.92 2.02 -0.28 -1.73 118.70 125.37 1b9o s GLU 49 Ca -0.01 -0.77 0.06 0.00 0.02 0.00 0.00 54.97 54.27 1b9o s GLU 49 Cb -0.06 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 1b9o s GLU 49 CO 0.00 0.51 -0.22 0.71 0.02 0.00 0.00 175.26 176.29 1b9o s TYR 50 N -0.46 2.07 0.00 1.61 2.02 -0.39 -1.54 117.35 120.67 1b9o s TYR 50 Ca 0.05 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 1b9o s TYR 50 Cb -0.12 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.08 1b9o s TYR 50 CO 0.02 -0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 1b9o n GLY 51 N 2.90 -2.07 0.37 0.71 0.00 0.76 -1.72 105.19 106.14 1b9o n GLY 51 Ca -0.17 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.47 1b9o n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1b9o h LEU 52 N 0.00 0.96 -2.26 0.99 5.85 -1.67 -1.17 115.31 118.02 1b9o h LEU 52 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1b9o h LEU 52 Cb 0.00 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1b9o h LEU 52 CO 0.00 0.55 0.00 0.49 -0.34 0.00 0.00 178.44 179.14 1b9o n PHE 53 N -4.58 0.56 -3.79 1.25 3.72 -1.26 -4.44 117.46 108.92 1b9o n PHE 53 Ca 0.18 -0.28 -0.26 0.00 -0.05 0.00 0.00 57.45 57.04 1b9o n PHE 53 Cb 0.30 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.86 1b9o n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1b9o n GLN 54 N 1.40 -2.95 -2.86 -1.08 1.13 -0.44 -4.90 117.38 107.68 1b9o n GLN 54 Ca 0.20 0.48 -0.41 0.00 -1.94 0.00 0.00 57.00 55.33 1b9o n GLN 54 Cb 0.58 -4.56 -0.04 0.00 0.11 0.00 0.00 30.24 26.33 1b9o n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b9o s ILE 55 N -3.72 4.91 0.11 5.09 1.01 -0.70 -4.43 121.20 123.49 1b9o s ILE 55 Ca 0.17 1.76 -0.22 0.00 0.00 0.00 0.00 60.65 62.36 1b9o s ILE 55 Cb -0.06 -4.19 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 1b9o s ILE 55 CO 0.86 0.13 0.65 -0.55 0.00 0.00 0.00 174.94 176.03 1b9o s SER 56 N 1.00 7.19 0.00 3.58 0.15 -1.26 -1.26 113.70 123.11 1b9o s SER 56 Ca 0.43 1.42 0.20 0.00 0.70 0.00 0.00 55.95 58.69 1b9o s SER 56 Cb -0.18 -2.41 0.94 0.00 -1.71 0.00 0.00 66.02 62.65 1b9o s SER 56 CO 0.19 0.25 1.62 -0.46 1.20 0.00 0.00 173.24 176.04 1b9o n ASN 57 N 1.67 0.00 0.03 5.45 2.04 -0.70 -1.84 115.26 121.91 1b9o n ASN 57 Ca -0.09 0.17 -0.02 0.00 -0.44 0.00 0.00 54.58 54.20 1b9o n ASN 57 Cb 0.50 -0.36 0.23 0.00 -2.53 0.00 0.00 39.78 37.62 1b9o n ASN 57 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 1b9o h LYS 58 N 0.00 0.43 0.00 -3.83 1.57 -1.84 -3.40 116.57 109.50 1b9o h LYS 58 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1b9o h LYS 58 Cb 0.24 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1b9o h LYS 58 CO 0.00 0.65 -0.27 -0.11 -0.57 0.00 0.00 179.45 179.14 1b9o n LEU 59 N -4.13 0.00 -0.08 2.94 7.94 -1.22 -4.30 117.00 118.15 1b9o n LEU 59 Ca -0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 1b9o n LEU 59 Cb 0.39 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.19 1b9o n LEU 59 CO 0.41 0.00 -1.06 0.79 -1.11 0.00 0.00 177.39 176.42 1b9o n TRP 60 N -0.89 0.00 -3.99 1.96 7.02 -0.76 -1.12 117.44 119.66 1b9o n TRP 60 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1b9o n TRP 60 Cb 0.13 -0.86 -0.08 0.00 -2.42 0.00 0.00 31.31 28.08 1b9o n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1b9o s LYS 62 N -3.94 4.31 0.02 0.00 2.36 -0.31 -4.59 119.74 117.59 1b9o s LYS 62 Ca 0.13 0.51 -0.06 0.00 -2.55 0.00 0.00 55.97 53.99 1b9o s LYS 62 Cb 0.06 -3.48 -0.01 0.00 -1.05 0.00 0.00 37.83 33.35 1b9o s LYS 62 CO -0.05 0.05 0.10 -1.54 1.55 0.00 0.00 175.35 175.46 1b9o s SER 63 N 0.80 0.12 0.44 1.43 1.04 -1.26 -1.31 113.70 114.95 1b9o s SER 63 Ca 0.27 -0.39 0.30 0.00 0.48 0.00 0.00 55.95 56.61 1b9o s SER 63 Cb -0.16 0.21 1.31 0.00 0.10 0.00 0.00 66.02 67.48 1b9o s SER 63 CO 0.11 -0.43 1.90 0.77 0.98 0.00 0.00 173.24 176.57 1b9o h SER 64 N 4.00 0.00 -0.17 7.02 4.64 -1.98 -2.92 113.55 124.13 1b9o h SER 64 Ca -0.32 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.91 1b9o h SER 64 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1b9o h SER 64 CO 0.45 0.00 -0.19 -0.61 -0.87 0.00 0.00 176.83 175.62 1b9o h GLN 65 N 0.00 0.59 -2.61 4.77 4.15 -1.98 -3.37 115.11 116.66 1b9o h GLN 65 Ca 0.00 -0.21 -0.60 0.00 0.77 0.00 0.00 58.65 58.61 1b9o h GLN 65 Cb 0.38 -0.04 -0.40 0.00 0.21 0.00 0.00 27.48 27.63 1b9o h GLN 65 CO 0.00 0.75 -0.78 0.28 -1.93 0.00 0.00 178.83 177.15 1b9o n VAL 66 N -4.15 0.44 -0.03 2.39 0.31 -1.10 -4.98 118.33 111.22 1b9o n VAL 66 Ca 0.00 -4.29 0.15 0.00 -0.01 0.00 0.00 64.34 60.18 1b9o n VAL 66 Cb 0.38 -1.96 0.58 0.00 -0.91 0.00 0.00 33.84 31.93 1b9o n VAL 66 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1b9o h PRO 67 N 5.20 0.22 -0.11 5.55 0.13 -1.74 -1.98 132.00 139.28 1b9o h PRO 67 Ca 0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1b9o h PRO 67 Cb 0.81 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1b9o h PRO 67 CO 0.58 0.15 0.00 1.04 -0.23 0.00 0.00 178.00 179.54 1b9o n GLN 68 N -4.45 1.41 -1.74 0.86 6.02 -1.26 -4.95 117.38 113.27 1b9o n GLN 68 Ca 0.09 -0.62 -0.42 0.00 -0.01 0.00 0.00 57.00 56.04 1b9o n GLN 68 Cb 0.43 -1.31 -0.00 0.00 1.02 0.00 0.00 30.24 30.38 1b9o n GLN 68 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1b9o n SER 69 N -0.13 3.39 0.20 1.08 2.88 -0.74 -4.86 113.62 115.44 1b9o n SER 69 Ca 0.13 1.21 0.16 0.00 -1.33 0.00 0.00 58.87 59.05 1b9o n SER 69 Cb 0.20 -1.56 0.79 0.00 -0.75 0.00 0.00 64.21 62.89 1b9o n SER 69 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1b9o h ARG 70 N 2.93 0.00 -6.08 -1.46 2.47 -1.75 -3.47 114.38 107.02 1b9o h ARG 70 Ca -0.49 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 57.83 1b9o h ARG 70 Cb 1.26 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 29.65 1b9o h ARG 70 CO 0.65 0.00 -0.87 -1.71 0.56 0.00 0.00 179.97 178.59 1b9o n ASN 71 N -4.02 -3.10 -0.31 7.04 5.15 -0.54 -4.86 115.26 114.62 1b9o n ASN 71 Ca 0.01 -0.88 0.05 0.00 -0.60 0.00 0.00 54.58 53.16 1b9o n ASN 71 Cb 0.29 -3.92 0.25 0.00 -0.53 0.00 0.00 39.78 35.88 1b9o n ASN 71 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1b9o h ILE 72 N -1.77 1.02 -0.00 -1.44 1.08 -1.12 -1.30 117.51 113.98 1b9o h ILE 72 Ca -0.63 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1b9o h ILE 72 Cb 1.35 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 1b9o h ILE 72 CO 0.53 0.18 -0.03 0.00 -0.69 0.00 0.00 178.15 178.14 1b9o n ASP 74 N -0.91 -4.19 -3.54 0.00 2.03 -0.49 -4.98 116.55 104.46 1b9o n ASP 74 Ca 0.19 -0.79 -0.17 0.00 0.52 0.00 0.00 54.79 54.54 1b9o n ASP 74 Cb 0.21 -4.49 -0.06 0.00 -0.72 0.00 0.00 41.12 36.06 1b9o n ASP 74 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1b9o s ILE 75 N -3.48 0.01 0.29 5.18 2.07 -1.26 -5.07 121.20 118.95 1b9o s ILE 75 Ca 0.27 -0.07 -0.29 0.00 -1.41 0.00 0.00 60.65 59.15 1b9o s ILE 75 Cb -0.06 -0.96 -0.10 0.00 0.13 0.00 0.00 42.46 41.47 1b9o s ILE 75 CO 0.78 -0.04 1.13 -0.44 -1.91 0.00 0.00 174.94 174.47 1b9o s SER 76 N -1.38 7.16 0.60 4.50 0.01 -1.26 -1.17 113.70 122.16 1b9o s SER 76 Ca -0.10 2.33 0.37 0.00 1.31 0.00 0.00 55.95 59.87 1b9o s SER 76 Cb -0.01 -2.63 1.88 0.00 0.21 0.00 0.00 66.02 65.47 1b9o s SER 76 CO 0.07 -0.23 2.19 0.00 0.41 0.00 0.00 173.24 175.68 1b9o h ASP 78 N 0.00 0.00 0.36 0.00 2.03 -1.92 -1.28 116.42 115.61 1b9o h ASP 78 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1b9o h ASP 78 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1b9o h ASP 78 CO 0.00 0.03 0.00 0.11 -1.03 0.00 0.00 179.24 178.36 1b9o h LYS 79 N 0.00 0.00 -0.48 4.15 1.79 -1.77 -1.73 116.57 118.54 1b9o h LYS 79 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1b9o h LYS 79 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1b9o h LYS 79 CO 0.00 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.56 1b9o n PHE 80 N -2.66 0.67 -0.37 -1.35 3.72 -0.48 -3.99 117.46 113.00 1b9o n PHE 80 Ca -0.01 -0.31 0.03 0.00 -0.05 0.00 0.00 57.45 57.12 1b9o n PHE 80 Cb 0.14 -0.05 0.05 0.00 -0.94 0.00 0.00 39.48 38.68 1b9o n PHE 80 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1b9o n LEU 81 N 0.71 2.09 0.00 4.37 4.77 -0.65 -3.46 117.00 124.84 1b9o n LEU 81 Ca 0.15 -2.34 -0.22 0.00 -0.03 0.00 0.00 56.01 53.57 1b9o n LEU 81 Cb 0.43 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1b9o n LEU 81 CO 0.11 0.56 0.14 -0.90 -1.33 0.00 0.00 177.39 175.97 1b9o n ASP 82 N -0.80 2.42 -0.52 -1.43 5.68 -1.26 -4.70 116.55 115.94 1b9o n ASP 82 Ca 0.05 -2.64 0.12 0.00 -0.50 0.00 0.00 54.79 51.82 1b9o n ASP 82 Cb 0.38 -0.13 0.43 0.00 -1.14 0.00 0.00 41.12 40.66 1b9o n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1b9o n ASP 83 N -1.99 1.59 -4.35 -1.12 8.00 -1.26 -4.73 116.55 112.69 1b9o n ASP 83 Ca 0.03 -1.63 -0.40 0.00 0.71 0.00 0.00 54.79 53.50 1b9o n ASP 83 Cb 0.56 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 1b9o n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1b9o s ASP 84 N -1.73 5.64 -0.04 -2.24 2.15 -1.26 -4.95 116.67 114.23 1b9o s ASP 84 Ca 0.34 -1.06 0.09 0.00 0.43 0.00 0.00 52.55 52.36 1b9o s ASP 84 Cb 0.19 -1.99 0.35 0.00 -0.30 0.00 0.00 42.92 41.17 1b9o s ASP 84 CO 0.29 -0.38 1.20 2.30 -0.17 0.00 0.00 175.17 178.41 1b9o n ILE 85 N 4.95 0.82 0.01 4.11 -5.35 -1.26 -4.30 119.36 118.34 1b9o n ILE 85 Ca -0.12 -0.56 -0.12 0.00 -0.27 0.00 0.00 62.75 61.68 1b9o n ILE 85 Cb 0.45 -0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.28 1b9o n ILE 85 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1b9o h THR 86 N 2.05 1.14 -0.08 7.28 2.02 -1.96 0.43 112.91 123.78 1b9o h THR 86 Ca 0.00 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 66.65 1b9o h THR 86 Cb 0.77 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1b9o h THR 86 CO 0.09 0.11 -0.50 -2.24 0.37 0.00 0.00 175.52 173.36 1b9o h ASP 87 N -0.10 0.22 -0.47 4.18 3.04 -1.92 -1.85 116.42 119.51 1b9o h ASP 87 Ca 0.01 -0.11 0.03 0.00 -3.24 0.00 0.00 57.03 53.72 1b9o h ASP 87 Cb 0.17 -0.06 -0.03 0.00 -1.04 0.00 0.00 39.33 38.36 1b9o h ASP 87 CO -0.00 0.68 0.27 0.44 -2.04 0.00 0.00 179.24 178.59 1b9o h ASP 88 N 0.16 0.42 -0.56 4.15 5.19 -1.71 -1.74 116.42 122.34 1b9o h ASP 88 Ca 0.01 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 1b9o h ASP 88 Cb 0.94 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.35 1b9o h ASP 88 CO 0.07 0.30 0.12 0.40 -3.12 0.00 0.00 179.24 177.01 1b9o h ILE 89 N 0.53 1.25 -0.57 0.35 2.04 -0.66 0.13 117.51 120.57 1b9o h ILE 89 Ca 0.20 -0.91 0.10 0.00 1.00 0.00 0.00 64.86 65.25 1b9o h ILE 89 Cb 0.05 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 1b9o h ILE 89 CO -0.10 0.33 0.13 -0.03 0.00 0.00 0.00 178.15 178.48 1b9o h MET 90 N 0.81 0.26 -0.10 2.37 4.05 -0.98 -0.41 114.93 120.93 1b9o h MET 90 Ca 0.17 -0.02 -0.22 0.00 -0.28 0.00 0.00 59.70 59.35 1b9o h MET 90 Cb 0.37 -0.06 0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1b9o h MET 90 CO 0.00 0.17 -0.83 0.00 0.23 0.00 0.00 176.91 176.48 1b9o h ALA 92 N 0.63 1.49 -0.85 0.00 0.00 -0.34 -1.03 119.26 119.16 1b9o h ALA 92 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1b9o h ALA 92 Cb 1.46 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1b9o h ALA 92 CO 0.16 0.42 0.44 0.87 0.00 0.00 0.00 179.25 181.14 1b9o h LYS 93 N 1.03 1.20 -0.59 0.00 1.57 -0.99 -0.04 116.57 118.76 1b9o h LYS 93 Ca 0.33 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1b9o h LYS 93 Cb 0.04 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1b9o h LYS 93 CO -0.10 0.90 0.35 0.87 -0.57 0.00 0.00 179.45 180.90 1b9o h LYS 94 N 1.20 0.80 -0.53 3.15 1.57 -1.13 -0.95 116.57 120.68 1b9o h LYS 94 Ca 0.30 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1b9o h LYS 94 Cb 0.07 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1b9o h LYS 94 CO -0.04 0.58 0.34 0.82 -0.57 0.00 0.00 179.45 180.58 1b9o h ILE 95 N 0.79 1.15 -0.67 1.86 2.04 -0.75 -1.45 117.51 120.47 1b9o h ILE 95 Ca 0.21 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1b9o h ILE 95 Cb -0.02 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1b9o h ILE 95 CO -0.04 0.14 0.39 -0.07 0.00 0.00 0.00 178.15 178.58 1b9o h LEU 96 N 0.72 0.81 -0.65 1.44 3.38 -0.70 0.22 115.31 120.53 1b9o h LEU 96 Ca 0.19 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1b9o h LEU 96 Cb -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1b9o h LEU 96 CO -0.04 0.64 -0.18 0.44 0.09 0.00 0.00 178.44 179.39 1b9o h ASP 97 N 0.93 0.88 0.02 -0.43 3.32 -0.72 -2.65 116.42 117.76 1b9o h ASP 97 Ca 0.24 -0.30 -0.37 0.00 0.02 0.00 0.00 57.03 56.62 1b9o h ASP 97 Cb -0.01 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 1b9o h ASP 97 CO -0.04 1.04 -2.08 -0.38 -1.72 0.00 0.00 179.24 176.06 1b9o n ILE 98 N -4.13 1.56 -0.02 0.35 5.41 -0.59 -4.69 119.36 117.26 1b9o n ILE 98 Ca 0.01 -0.34 0.04 0.00 1.00 0.00 0.00 62.75 63.46 1b9o n ILE 98 Cb 0.42 -1.84 -0.11 0.00 -0.71 0.00 0.00 39.64 37.40 1b9o n ILE 98 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1b9o n LYS 99 N -4.06 0.70 0.00 0.38 4.76 0.69 -5.09 118.16 115.53 1b9o n LYS 99 Ca -0.44 -0.10 0.00 0.00 -2.87 0.00 0.00 58.31 54.90 1b9o n LYS 99 Cb 0.86 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1b9o n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b9o n GLY 100 N 1.81 -1.53 0.32 0.72 0.00 -0.72 -4.01 105.19 101.78 1b9o n GLY 100 Ca -0.06 -1.23 0.20 0.00 0.00 0.00 0.00 46.02 44.92 1b9o n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b9o h ILE 101 N 0.00 0.19 0.00 -0.61 2.10 -1.88 -2.49 117.51 114.81 1b9o h ILE 101 Ca 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.85 1b9o h ILE 101 Cb 0.00 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1b9o h ILE 101 CO 0.00 0.01 0.00 0.47 -1.08 0.00 0.00 178.15 177.55 1b9o n ASP 102 N -3.34 0.13 -0.24 2.19 8.00 -1.26 -1.71 116.55 120.33 1b9o n ASP 102 Ca -0.03 0.53 0.04 0.00 0.71 0.00 0.00 54.79 56.05 1b9o n ASP 102 Cb 0.11 -0.56 0.17 0.00 -0.02 0.00 0.00 41.12 40.81 1b9o n ASP 102 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1b9o h TYR 103 N 0.00 0.42 0.06 1.24 3.20 -1.61 -0.46 116.97 119.83 1b9o h TYR 103 Ca 0.00 0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.72 1b9o h TYR 103 Cb 0.26 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1b9o h TYR 103 CO 0.00 0.03 -0.98 -1.49 -1.64 0.00 0.00 178.16 174.07 1b9o h TRP 104 N 0.38 0.24 0.00 -3.82 6.55 -1.57 -3.41 115.95 114.32 1b9o h TRP 104 Ca 0.39 -0.18 0.00 0.00 0.95 0.00 0.00 58.89 60.06 1b9o h TRP 104 Cb 0.60 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.89 1b9o h TRP 104 CO -0.19 1.38 -1.11 1.28 -1.05 0.00 0.00 178.44 178.75 1b9o n LEU 105 N -4.23 0.60 -3.73 -4.49 4.77 -0.84 -4.99 117.00 104.09 1b9o n LEU 105 Ca -0.22 -0.08 -0.26 0.00 -0.03 0.00 0.00 56.01 55.42 1b9o n LEU 105 Cb 0.74 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.81 1b9o n LEU 105 CO 0.35 0.06 0.17 0.00 -1.33 0.00 0.00 177.39 176.64 1b9o n ALA 106 N -1.83 -1.36 -1.94 -1.18 0.00 -0.19 -1.36 120.51 112.66 1b9o n ALA 106 Ca 0.02 0.27 -0.19 0.00 0.00 0.00 0.00 53.44 53.54 1b9o n ALA 106 Cb 0.44 -4.80 -0.05 0.00 0.00 0.00 0.00 19.45 15.04 1b9o n ALA 106 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1b9o n HIS 107 N -4.81 -0.44 -3.41 0.00 -0.00 -1.26 -4.99 115.22 100.31 1b9o n HIS 107 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.48 1b9o n HIS 107 Cb 0.56 -3.48 -0.01 0.00 -0.00 0.00 0.00 29.99 27.06 1b9o n HIS 107 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1b9o s LYS 108 N -4.26 3.46 -0.01 -0.41 1.02 -0.46 -4.99 119.74 114.08 1b9o s LYS 108 Ca 0.00 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.62 1b9o s LYS 108 Cb 0.00 -2.68 0.06 0.00 -0.52 0.00 0.00 37.83 34.69 1b9o s LYS 108 CO 0.00 0.15 0.82 0.00 -0.92 0.00 0.00 175.35 175.41 1b9o n ALA 109 N -1.77 2.55 -1.68 5.17 0.00 -1.26 -4.89 120.51 118.63 1b9o n ALA 109 Ca -0.05 -0.13 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 1b9o n ALA 109 Cb 0.56 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 19.05 1b9o n ALA 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1b9o n LEU 110 N -0.13 4.52 -3.64 0.00 4.77 -1.26 -3.41 117.00 117.85 1b9o n LEU 110 Ca 0.02 0.91 -0.24 0.00 -0.03 0.00 0.00 56.01 56.68 1b9o n LEU 110 Cb 0.19 -1.48 0.07 0.00 -2.33 0.00 0.00 43.42 39.87 1b9o n LEU 110 CO 0.02 -1.19 0.19 0.00 -1.33 0.00 0.00 177.39 175.08 1b9o n THR 112 N -4.79 0.00 -4.36 0.00 -2.24 -1.22 -4.90 114.28 96.78 1b9o n THR 112 Ca -0.05 -0.12 -0.25 0.00 -2.27 0.00 0.00 64.05 61.37 1b9o n THR 112 Cb 0.58 0.53 -0.12 0.00 -2.10 0.00 0.00 70.33 69.22 1b9o n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1b9o s GLU 113 N -2.02 1.33 -1.47 -0.78 2.02 -1.26 -4.79 118.70 111.72 1b9o s GLU 113 Ca -0.01 -1.38 -0.05 0.00 0.02 0.00 0.00 54.97 53.55 1b9o s GLU 113 Cb 0.02 -1.57 0.04 0.00 0.10 0.00 0.00 34.13 32.71 1b9o s GLU 113 CO 0.10 0.34 0.57 1.63 0.02 0.00 0.00 175.26 177.93 1b9o n LYS 114 N 0.54 -3.64 0.31 1.61 5.02 -1.26 -4.82 118.16 115.91 1b9o n LYS 114 Ca -0.15 0.44 0.20 0.00 -2.02 0.00 0.00 58.31 56.78 1b9o n LYS 114 Cb 0.55 -4.80 1.01 0.00 -0.02 0.00 0.00 35.03 31.77 1b9o n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1b9o h LEU 115 N -1.80 0.00 -2.52 -0.35 3.38 -1.95 -2.07 115.31 110.00 1b9o h LEU 115 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1b9o h LEU 115 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1b9o h LEU 115 CO 0.66 0.00 0.00 1.05 0.09 0.00 0.00 178.44 180.24 1b9o h GLU 116 N 0.00 0.00 0.00 1.13 9.09 -1.97 -1.64 114.58 121.19 1b9o h GLU 116 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 1b9o h GLU 116 Cb 0.17 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.27 1b9o h GLU 116 CO 0.00 0.00 -0.00 -0.56 0.05 0.00 0.00 179.01 178.50 1b9o h GLN 117 N 0.00 0.00 -0.11 1.06 3.07 -1.73 -2.59 115.11 114.81 1b9o h GLN 117 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1b9o h GLN 117 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.69 1b9o h GLN 117 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.83 1b9o n TRP 118 N -3.09 0.12 -2.52 0.06 7.02 -0.62 -4.92 117.44 113.49 1b9o n TRP 118 Ca -0.02 -0.06 -0.32 0.00 -1.02 0.00 0.00 57.50 56.08 1b9o n TRP 118 Cb 0.15 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.00 1b9o n TRP 118 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b9o s LEU 119 N -1.81 3.70 -0.15 -0.99 1.43 -0.98 -4.81 118.68 115.07 1b9o s LEU 119 Ca 0.35 1.55 -0.24 0.00 -1.03 0.00 0.00 54.13 54.75 1b9o s LEU 119 Cb 0.20 -4.46 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 1b9o s LEU 119 CO 0.30 -0.52 0.77 0.00 0.23 0.00 0.00 176.35 177.13 1b9o n GLU 121 N 4.91 1.21 0.14 0.00 -0.58 -1.26 -4.73 120.64 120.34 1b9o n GLU 121 Ca 0.02 -1.46 0.09 0.00 -0.42 0.00 0.00 57.16 55.39 1b9o n GLU 121 Cb 0.49 -1.29 0.05 0.00 -0.57 0.00 0.00 31.44 30.12 1b9o n GLU 121 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1b9o h LYS 122 N 2.93 0.00 -0.01 3.49 2.10 -2.02 -3.55 116.57 119.51 1b9o h LYS 122 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1b9o h LYS 122 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1b9o h LYS 122 CO 0.00 0.11 0.00 1.28 -2.00 0.00 0.00 179.45 178.84