#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9c s ILE 2 N 0.00 4.54 -0.35 1.12 -1.09 -1.26 -4.94 121.20 119.22 1r9c s ILE 2 Ca 0.00 1.84 0.21 0.00 -2.23 0.00 0.00 60.65 60.47 1r9c s ILE 2 Cb 0.00 -4.18 0.23 0.00 -1.58 0.00 0.00 42.46 36.93 1r9c s ILE 2 CO 0.00 -0.04 1.49 -0.33 -1.23 0.00 0.00 174.94 174.84 1r9c h GLU 3 N 7.37 0.00 0.00 2.79 5.08 -2.10 -3.50 114.58 124.22 1r9c h GLU 3 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1r9c h GLU 3 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1r9c h GLU 3 CO 0.89 0.12 0.00 0.41 -1.00 0.00 0.00 179.01 179.43 1r9c n GLY 4 N 1.14 -0.05 3.74 -3.84 0.00 -1.26 -5.10 105.19 99.82 1r9c n GLY 4 Ca 0.03 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1r9c n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r9c s LEU 5 N 0.00 4.52 -0.08 0.99 2.96 -1.26 -4.98 118.68 120.83 1r9c s LEU 5 Ca 0.00 1.96 -0.04 0.00 -0.22 0.00 0.00 54.13 55.83 1r9c s LEU 5 Cb 0.00 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 1r9c s LEU 5 CO 0.00 -0.10 -0.08 -1.28 -1.32 0.00 0.00 176.35 173.56 1r9c h SER 6 N 5.12 0.00 -5.03 3.68 0.87 -1.99 -3.48 113.55 112.72 1r9c h SER 6 Ca -0.44 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 1r9c h SER 6 Cb 1.21 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.07 1r9c h SER 6 CO 0.71 0.44 0.13 -1.38 -0.53 0.00 0.00 176.83 176.21 1r9c s HIS 7 N -1.68 -0.32 -0.03 2.24 0.00 -1.26 -4.29 115.29 109.95 1r9c s HIS 7 Ca -0.07 0.01 0.07 0.00 -3.00 0.00 0.00 55.06 52.08 1r9c s HIS 7 Cb 0.01 0.51 -0.02 0.00 -4.00 0.00 0.00 32.58 29.08 1r9c s HIS 7 CO 0.10 -0.93 -0.25 0.00 -1.00 0.00 0.00 174.74 172.66 1r9c s MET 8 N -3.82 2.25 -0.11 -0.38 0.23 -0.66 -5.03 119.30 111.79 1r9c s MET 8 Ca 0.05 -0.91 0.03 0.00 -1.03 0.00 0.00 55.69 53.84 1r9c s MET 8 Cb -0.02 -2.10 0.01 0.00 -1.53 0.00 0.00 34.83 31.20 1r9c s MET 8 CO -0.06 0.52 -0.20 0.99 -2.03 0.00 0.00 175.02 174.23 1r9c s THR 9 N -0.50 1.84 -0.06 3.16 2.01 -1.26 -0.56 115.64 120.27 1r9c s THR 9 Ca 0.06 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.24 1r9c s THR 9 Cb -0.11 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1r9c s THR 9 CO 0.00 0.51 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.87 1r9c s PHE 10 N 0.64 2.55 -0.14 4.92 0.40 -0.18 -4.98 117.98 121.19 1r9c s PHE 10 Ca -0.13 -0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 55.52 1r9c s PHE 10 Cb -0.16 -1.63 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 1r9c s PHE 10 CO 0.03 -0.10 0.30 0.42 0.70 0.00 0.00 175.22 176.57 1r9c s ILE 11 N -0.27 5.29 0.02 0.64 -1.09 -1.26 -1.69 121.20 122.84 1r9c s ILE 11 Ca 0.00 0.58 -0.00 0.00 -2.23 0.00 0.00 60.65 59.00 1r9c s ILE 11 Cb -0.13 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 1r9c s ILE 11 CO 0.03 0.42 -0.02 0.68 -1.23 0.00 0.00 174.94 174.81 1r9c s VAL 12 N 0.24 0.10 0.18 2.92 -7.23 -0.41 -4.72 120.40 111.48 1r9c s VAL 12 Ca 0.18 -0.83 -0.02 0.00 -1.81 0.00 0.00 61.98 59.49 1r9c s VAL 12 Cb -0.13 -0.25 -0.08 0.00 0.56 0.00 0.00 36.38 36.48 1r9c s VAL 12 CO 0.05 -0.46 1.47 0.03 -0.31 0.00 0.00 175.10 175.88 1r9c h ARG 13 N 4.76 0.48 -3.61 4.82 3.08 -1.82 0.11 114.38 122.20 1r9c h ARG 13 Ca -0.31 -0.35 -0.60 0.00 0.07 0.00 0.00 59.98 58.79 1r9c h ARG 13 Cb 1.21 0.06 -0.40 0.00 0.08 0.00 0.00 29.97 30.92 1r9c h ARG 13 CO 0.42 0.97 -0.74 0.34 -1.07 0.00 0.00 179.97 179.88 1r9c s ASP 14 N -6.95 4.07 0.40 7.04 -1.08 -1.26 -4.68 116.67 114.20 1r9c s ASP 14 Ca -0.07 -1.96 0.09 0.00 -0.52 0.00 0.00 52.55 50.10 1r9c s ASP 14 Cb 0.11 -1.03 0.87 0.00 -1.46 0.00 0.00 42.92 41.40 1r9c s ASP 14 CO 0.84 -0.38 2.00 -0.07 0.52 0.00 0.00 175.17 178.08 1r9c h LEU 15 N 7.70 0.51 -0.06 -1.34 3.38 -1.94 -1.54 115.31 122.01 1r9c h LEU 15 Ca -0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1r9c h LEU 15 Cb 0.99 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1r9c h LEU 15 CO 0.48 0.34 -0.02 -0.33 0.09 0.00 0.00 178.44 179.00 1r9c h GLU 16 N 0.58 0.12 -0.57 1.13 3.07 -1.99 -1.27 114.58 115.66 1r9c h GLU 16 Ca 0.25 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.01 1r9c h GLU 16 Cb 0.24 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1r9c h GLU 16 CO -0.07 0.46 0.14 -0.09 -1.40 0.00 0.00 179.01 178.05 1r9c h ARG 17 N -0.22 0.90 -0.87 2.33 9.65 -1.94 -2.11 114.38 122.12 1r9c h ARG 17 Ca 0.02 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 1r9c h ARG 17 Cb 0.41 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 1r9c h ARG 17 CO 0.01 0.84 0.51 1.98 2.80 0.00 0.00 179.97 186.10 1r9c h MET 18 N 0.81 1.20 -0.47 0.20 4.05 -1.28 -0.65 114.93 118.78 1r9c h MET 18 Ca 0.18 -0.12 0.08 0.00 -0.28 0.00 0.00 59.70 59.56 1r9c h MET 18 Cb 0.34 -0.25 -0.06 0.00 -0.80 0.00 0.00 31.60 30.83 1r9c h MET 18 CO 0.00 0.85 0.10 1.15 0.23 0.00 0.00 176.91 179.24 1r9c h THR 19 N 1.21 0.75 -0.56 -0.77 2.02 -0.72 -0.28 112.91 114.56 1r9c h THR 19 Ca 0.31 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.32 1r9c h THR 19 Cb -0.02 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1r9c h THR 19 CO -0.06 0.04 0.02 0.03 0.37 0.00 0.00 175.52 175.93 1r9c h ARG 20 N 0.24 0.97 0.01 6.66 2.47 -0.65 0.20 114.38 124.28 1r9c h ARG 20 Ca 0.23 -0.30 0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1r9c h ARG 20 Cb 0.30 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1r9c h ARG 20 CO -0.30 0.97 -0.12 0.82 0.56 0.00 0.00 179.97 181.90 1r9c h ILE 21 N 0.86 0.70 -0.26 2.04 2.04 -0.81 0.38 117.51 122.45 1r9c h ILE 21 Ca 0.16 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.92 1r9c h ILE 21 Cb 0.52 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1r9c h ILE 21 CO 0.03 0.00 -0.26 -0.07 0.00 0.00 0.00 178.15 177.85 1r9c h LEU 22 N -0.22 0.51 -0.21 1.44 3.38 -0.72 0.47 115.31 119.96 1r9c h LEU 22 Ca 0.04 -0.18 -0.19 0.00 0.09 0.00 0.00 57.88 57.64 1r9c h LEU 22 Cb 0.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1r9c h LEU 22 CO -0.11 0.76 -0.61 -0.33 0.09 0.00 0.00 178.44 178.23 1r9c h GLU 23 N 0.45 0.80 -0.13 1.13 5.08 -0.87 -1.50 114.58 119.53 1r9c h GLU 23 Ca 0.06 -0.57 -0.13 0.00 -1.00 0.00 0.00 59.36 57.72 1r9c h GLU 23 Cb 0.69 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1r9c h GLU 23 CO 0.05 1.19 -0.44 0.78 -1.00 0.00 0.00 179.01 179.59 1r9c h GLY 24 N 0.54 0.59 0.25 -3.84 0.00 0.13 -1.97 103.07 98.77 1r9c h GLY 24 Ca -0.02 -0.77 -0.21 0.00 0.00 0.00 0.00 47.33 46.33 1r9c h GLY 24 CO 0.13 0.69 -1.10 -2.08 0.00 0.00 0.00 176.54 174.18 1r9c h VAL 25 N 0.16 1.12 -0.02 4.60 2.07 -1.03 -3.41 116.25 119.74 1r9c h VAL 25 Ca -0.02 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1r9c h VAL 25 Cb 1.07 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1r9c h VAL 25 CO 0.09 0.55 -0.00 0.49 0.02 0.00 0.00 177.57 178.72 1r9c n PHE 26 N -4.23 0.00 -3.27 1.57 3.01 -0.77 -4.95 117.46 108.82 1r9c n PHE 26 Ca -0.25 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 57.98 1r9c n PHE 26 Cb 0.74 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.23 1r9c n PHE 26 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1r9c n ASP 27 N 0.96 -4.88 -4.68 4.37 2.03 -0.74 -4.91 116.55 108.71 1r9c n ASP 27 Ca 0.10 -0.38 -0.39 0.00 0.52 0.00 0.00 54.79 54.64 1r9c n ASP 27 Cb 0.43 -3.97 0.03 0.00 -0.72 0.00 0.00 41.12 36.89 1r9c n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r9c n ALA 28 N -3.67 0.93 -3.40 -1.67 0.00 -0.64 -4.87 120.51 107.20 1r9c n ALA 28 Ca -0.05 0.15 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 1r9c n ALA 28 Cb 0.57 -2.23 -0.14 0.00 0.00 0.00 0.00 19.45 17.66 1r9c n ALA 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1r9c s ARG 29 N -2.51 3.42 -0.10 0.00 3.52 0.31 -4.44 118.95 119.14 1r9c s ARG 29 Ca 0.68 -0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 55.37 1r9c s ARG 29 Cb -0.47 -2.98 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1r9c s ARG 29 CO 0.52 -0.12 1.32 -2.00 -0.81 0.00 0.00 175.30 174.21 1r9c s GLU 30 N 1.29 4.26 -0.00 5.12 2.12 -1.26 -0.69 118.70 129.54 1r9c s GLU 30 Ca 0.03 1.78 0.10 0.00 0.36 0.00 0.00 54.97 57.25 1r9c s GLU 30 Cb -0.14 -3.71 -0.11 0.00 0.26 0.00 0.00 34.13 30.42 1r9c s GLU 30 CO -0.02 -0.64 0.45 1.33 -0.54 0.00 0.00 175.26 175.84 1r9c n VAL 31 N 5.09 0.00 -3.61 3.70 0.24 0.01 -4.97 118.33 118.79 1r9c n VAL 31 Ca 0.13 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.34 62.04 1r9c n VAL 31 Cb 0.45 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.75 1r9c n VAL 31 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1r9c s TYR 32 N -2.00 -0.77 -0.03 6.34 5.04 -1.13 -4.95 117.35 119.85 1r9c s TYR 32 Ca 0.04 1.79 -0.01 0.00 -2.44 0.00 0.00 57.07 56.45 1r9c s TYR 32 Cb 0.08 0.29 0.03 0.00 0.35 0.00 0.00 41.96 42.71 1r9c s TYR 32 CO 0.43 -0.42 0.04 0.00 -1.34 0.00 0.00 175.55 174.27 1r9c s ALA 33 N 0.12 0.20 0.54 3.97 0.00 -1.26 -1.45 121.76 123.89 1r9c s ALA 33 Ca -0.02 0.22 0.41 0.00 0.00 0.00 0.00 51.96 52.57 1r9c s ALA 33 Cb -0.04 -0.47 2.15 0.00 0.00 0.00 0.00 23.12 24.76 1r9c s ALA 33 CO 0.02 -0.32 2.28 0.66 0.00 0.00 0.00 175.76 178.40 1r9c h SER 34 N 7.95 0.00 0.21 0.00 4.64 -1.55 -2.18 113.55 122.62 1r9c h SER 34 Ca -0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1r9c h SER 34 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1r9c h SER 34 CO 0.30 0.01 -0.00 0.44 -0.87 0.00 0.00 176.83 176.70 1r9c h ASP 35 N 0.00 0.00 0.24 4.97 3.32 -1.89 -0.92 116.42 122.14 1r9c h ASP 35 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r9c h ASP 35 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1r9c h ASP 35 CO 0.00 0.00 0.00 0.41 -1.72 0.00 0.00 179.24 177.93 1r9c n THR 36 N -3.10 0.61 -3.84 0.35 -1.04 -0.82 -4.76 114.28 101.67 1r9c n THR 36 Ca -0.02 0.15 -0.31 0.00 -2.04 0.00 0.00 64.05 61.82 1r9c n THR 36 Cb 0.12 -0.93 -0.04 0.00 -1.82 0.00 0.00 70.33 67.66 1r9c n THR 36 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1r9c s GLU 37 N -2.55 3.50 0.47 -2.82 2.02 -0.35 -5.10 118.70 113.86 1r9c s GLU 37 Ca 0.13 -0.31 -0.20 0.00 0.02 0.00 0.00 54.97 54.61 1r9c s GLU 37 Cb 0.09 -2.98 -0.10 0.00 0.10 0.00 0.00 34.13 31.24 1r9c s GLU 37 CO 0.20 0.57 0.98 1.14 0.02 0.00 0.00 175.26 178.17 1r9c s GLN 38 N -2.50 4.06 -0.76 1.61 1.03 -1.26 -4.29 119.66 117.54 1r9c s GLN 38 Ca 0.36 1.12 -0.11 0.00 0.04 0.00 0.00 55.36 56.78 1r9c s GLN 38 Cb -0.13 -2.15 0.01 0.00 0.03 0.00 0.00 33.01 30.78 1r9c s GLN 38 CO 0.26 -0.18 0.20 1.19 -2.54 0.00 0.00 175.29 174.22 1r9c n PHE 39 N -0.97 -0.73 -3.87 9.60 3.01 -1.26 -4.92 117.46 118.32 1r9c n PHE 39 Ca 0.07 0.17 -0.35 0.00 1.01 0.00 0.00 57.45 58.35 1r9c n PHE 39 Cb 0.54 -1.54 -0.14 0.00 -0.01 0.00 0.00 39.48 38.33 1r9c n PHE 39 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1r9c s SER 40 N -3.99 4.52 -0.02 4.37 0.15 -1.26 -5.01 113.70 112.46 1r9c s SER 40 Ca 0.15 -0.34 -0.21 0.00 0.70 0.00 0.00 55.95 56.25 1r9c s SER 40 Cb -0.08 -1.79 -0.26 0.00 -1.71 0.00 0.00 66.02 62.18 1r9c s SER 40 CO 0.55 -0.02 1.02 -0.07 1.20 0.00 0.00 173.24 175.92 1r9c h LEU 41 N 8.15 0.50-10.00 3.45 3.38 -1.97 -3.45 115.31 115.37 1r9c h LEU 41 Ca -0.41 -0.83 -0.48 0.00 0.09 0.00 0.00 57.88 56.25 1r9c h LEU 41 Cb 1.16 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 41.78 1r9c h LEU 41 CO 0.60 1.28 0.41 -0.94 0.09 0.00 0.00 178.44 179.88 1r9c s SER 42 N -6.82 6.55 -0.17 -0.43 1.04 -1.26 -5.04 113.70 107.58 1r9c s SER 42 Ca -0.13 2.04 0.01 0.00 0.48 0.00 0.00 55.95 58.35 1r9c s SER 42 Cb 0.02 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.58 1r9c s SER 42 CO 0.82 -0.64 -0.20 -0.13 0.98 0.00 0.00 173.24 174.08 1r9c s ARG 43 N -2.74 3.01 0.05 4.02 0.52 -1.26 -4.85 118.95 117.70 1r9c s ARG 43 Ca 0.61 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1r9c s ARG 43 Cb -0.21 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 1r9c s ARG 43 CO 0.26 -0.15 -0.05 -1.83 0.02 0.00 0.00 175.30 173.56 1r9c s GLU 44 N 1.15 0.56 0.04 3.54 -1.05 -1.26 -1.53 118.70 120.15 1r9c s GLU 44 Ca 0.01 -1.01 0.02 0.00 -0.15 0.00 0.00 54.97 53.85 1r9c s GLU 44 Cb -0.14 0.01 -0.02 0.00 -0.44 0.00 0.00 34.13 33.54 1r9c s GLU 44 CO -0.09 -0.05 -0.07 0.15 0.95 0.00 0.00 175.26 176.14 1r9c s LYS 45 N -2.86 0.51 -0.05 -4.83 1.02 -0.04 -1.27 119.74 112.22 1r9c s LYS 45 Ca -0.01 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.29 1r9c s LYS 45 Cb -0.00 -0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.00 1r9c s LYS 45 CO -0.05 0.05 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.23 1r9c s PHE 46 N -1.34 2.70 0.14 3.18 2.99 -0.53 -0.87 117.98 124.25 1r9c s PHE 46 Ca -0.10 -0.16 0.06 0.00 0.00 0.00 0.00 56.93 56.73 1r9c s PHE 46 Cb -0.10 -1.63 -0.04 0.00 0.00 0.00 0.00 43.02 41.26 1r9c s PHE 46 CO 0.00 0.18 -0.14 -0.06 -0.00 0.00 0.00 175.22 175.21 1r9c s PHE 47 N -0.73 1.42 -0.10 0.36 0.40 0.89 -0.81 117.98 119.41 1r9c s PHE 47 Ca 0.11 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 1r9c s PHE 47 Cb -0.11 -0.73 -0.02 0.00 0.51 0.00 0.00 43.02 42.68 1r9c s PHE 47 CO 0.00 0.16 -0.14 -0.51 0.70 0.00 0.00 175.22 175.44 1r9c s LEU 48 N -2.66 2.72 -0.46 -0.37 1.43 0.14 -1.04 118.68 118.43 1r9c s LEU 48 Ca 0.12 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1r9c s LEU 48 Cb -0.03 -1.59 0.12 0.00 0.03 0.00 0.00 46.19 44.72 1r9c s LEU 48 CO 0.03 0.23 0.24 -0.63 0.23 0.00 0.00 176.35 176.45 1r9c s ILE 49 N -0.04 3.12 0.00 -0.59 1.01 -0.27 -0.53 121.20 123.89 1r9c s ILE 49 Ca -0.03 -2.50 0.00 0.00 0.00 0.00 0.00 60.65 58.12 1r9c s ILE 49 Cb -0.14 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1r9c s ILE 49 CO 0.04 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 174.85 1r9c n GLY 50 N 4.06 2.90 1.07 6.18 0.00 -1.26 -1.07 105.19 117.07 1r9c n GLY 50 Ca 0.02 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1r9c n GLY 50 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1r9c n ASP 51 N 9.86 3.71 -4.66 1.61 5.68 -1.26 -4.96 116.55 126.53 1r9c n ASP 51 Ca 0.00 -2.20 -0.40 0.00 -0.50 0.00 0.00 54.79 51.70 1r9c n ASP 51 Cb 0.00 -0.41 -0.06 0.00 -1.14 0.00 0.00 41.12 39.51 1r9c n ASP 51 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1r9c s ILE 52 N -1.36 5.05 -0.28 2.12 1.01 -0.23 -5.03 121.20 122.48 1r9c s ILE 52 Ca 0.38 1.12 -0.23 0.00 0.00 0.00 0.00 60.65 61.92 1r9c s ILE 52 Cb 0.22 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 1r9c s ILE 52 CO 0.22 0.14 0.78 0.86 0.00 0.00 0.00 174.94 176.94 1r9c s TRP 53 N 1.76 3.24 -0.13 3.97 -0.00 -1.26 -1.11 118.94 125.40 1r9c s TRP 53 Ca 0.28 0.90 -0.01 0.00 -0.00 0.00 0.00 56.10 57.27 1r9c s TRP 53 Cb -0.16 -3.14 -0.02 0.00 -0.00 0.00 0.00 33.47 30.16 1r9c s TRP 53 CO 0.10 -0.50 -0.10 0.08 -0.00 0.00 0.00 176.95 176.53 1r9c s VAL 54 N 2.88 3.30 -0.08 5.86 1.01 -0.21 -1.65 120.40 131.52 1r9c s VAL 54 Ca 0.32 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1r9c s VAL 54 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1r9c s VAL 54 CO 0.11 0.52 -0.13 0.00 0.00 0.00 0.00 175.10 175.60 1r9c s ALA 55 N 0.28 2.71 0.03 5.51 0.00 0.28 -0.08 121.76 130.49 1r9c s ALA 55 Ca -0.08 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.03 1r9c s ALA 55 Cb -0.15 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1r9c s ALA 55 CO 0.05 0.46 -0.24 0.96 0.00 0.00 0.00 175.76 176.98 1r9c s ILE 56 N -0.39 1.96 0.00 0.00 -4.36 -0.05 -1.01 121.20 117.36 1r9c s ILE 56 Ca 0.04 -1.26 0.03 0.00 -0.26 0.00 0.00 60.65 59.20 1r9c s ILE 56 Cb -0.12 -1.67 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 1r9c s ILE 56 CO 0.02 0.36 -0.09 -0.04 0.24 0.00 0.00 174.94 175.43 1r9c s MET 57 N -1.08 0.70 0.10 0.37 -1.94 -0.68 -0.86 119.30 115.92 1r9c s MET 57 Ca 0.10 -0.39 -0.30 0.00 -1.71 0.00 0.00 55.69 53.38 1r9c s MET 57 Cb -0.09 -0.67 -0.07 0.00 2.01 0.00 0.00 34.83 36.01 1r9c s MET 57 CO 0.01 0.18 1.22 -1.14 -0.01 0.00 0.00 175.02 175.28 1r9c s GLN 58 N -0.42 4.44 0.00 2.03 0.74 -0.58 -1.29 119.66 124.58 1r9c s GLN 58 Ca 0.02 1.83 0.00 0.00 0.05 0.00 0.00 55.36 57.26 1r9c s GLN 58 Cb -0.04 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.76 1r9c s GLN 58 CO -0.00 -0.22 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 1r9c n GLY 59 N 2.93 1.41 3.85 2.59 0.00 0.37 -4.82 105.19 111.52 1r9c n GLY 59 Ca 0.08 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 1r9c n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r9c s GLU 60 N 1.53 3.99 0.80 1.61 0.41 -1.26 -3.13 118.70 122.65 1r9c s GLU 60 Ca 0.00 0.71 -0.11 0.00 -0.41 0.00 0.00 54.97 55.16 1r9c s GLU 60 Cb 0.00 -2.37 0.07 0.00 -1.78 0.00 0.00 34.13 30.04 1r9c s GLU 60 CO 0.00 0.08 1.09 -1.59 -0.49 0.00 0.00 175.26 174.35 1r9c s LYS 61 N -3.20 2.09 0.31 1.61 -2.85 -1.26 -4.37 119.74 112.07 1r9c s LYS 61 Ca 0.55 0.77 -0.29 0.00 -1.00 0.00 0.00 55.97 56.00 1r9c s LYS 61 Cb -0.10 -1.91 -0.11 0.00 -2.06 0.00 0.00 37.83 33.66 1r9c s LYS 61 CO 0.20 -1.65 1.45 -0.51 0.10 0.00 0.00 175.35 174.94 1r9c s LEU 62 N -5.83 4.37 0.14 2.77 1.43 -0.91 -4.93 118.68 115.73 1r9c s LEU 62 Ca 0.61 2.83 -0.21 0.00 -1.03 0.00 0.00 54.13 56.34 1r9c s LEU 62 Cb -0.15 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.44 1r9c s LEU 62 CO 0.55 -0.75 1.66 0.00 0.23 0.00 0.00 176.35 178.04 1r9c h ALA 63 N 4.01 0.02 -2.41 4.21 0.00 -1.95 -3.43 119.26 119.71 1r9c h ALA 63 Ca -0.48 0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.18 1r9c h ALA 63 Cb 1.23 0.33 -0.16 0.00 0.00 0.00 0.00 17.79 19.19 1r9c h ALA 63 CO 0.71 -0.56 -0.72 -1.21 0.00 0.00 0.00 179.25 177.46 1r9c s GLU 64 N -6.16 0.99 0.40 0.00 0.41 -1.26 -5.09 118.70 107.99 1r9c s GLU 64 Ca -0.14 -1.36 -0.24 0.00 -0.41 0.00 0.00 54.97 52.83 1r9c s GLU 64 Cb 0.12 -0.61 -0.09 0.00 -1.78 0.00 0.00 34.13 31.77 1r9c s GLU 64 CO 0.69 0.08 1.02 1.03 -0.49 0.00 0.00 175.26 177.58 1r9c s ARG 65 N -3.42 4.22 0.34 1.61 0.52 -1.26 -4.93 118.95 116.03 1r9c s ARG 65 Ca 0.13 1.41 0.03 0.00 -0.52 0.00 0.00 55.73 56.79 1r9c s ARG 65 Cb 0.01 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.96 1r9c s ARG 65 CO 0.00 -0.07 0.37 -1.13 0.02 0.00 0.00 175.30 174.49 1r9c n SER 66 N -0.11 -1.00 -1.27 0.23 3.41 -1.26 -5.05 113.62 108.57 1r9c n SER 66 Ca 0.05 -3.05 0.12 0.00 -0.26 0.00 0.00 58.87 55.73 1r9c n SER 66 Cb 0.51 2.05 0.28 0.00 -0.26 0.00 0.00 64.21 66.79 1r9c n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r9c n TYR 67 N -0.61 0.78 -1.85 7.33 9.36 -1.26 -4.77 117.16 126.14 1r9c n TYR 67 Ca 0.05 -0.39 -0.41 0.00 3.32 0.00 0.00 57.90 60.46 1r9c n TYR 67 Cb 0.59 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.28 1r9c n TYR 67 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1r9c s ASN 68 N -1.21 6.46 0.07 2.98 0.01 -1.26 -4.98 114.94 117.01 1r9c s ASN 68 Ca 0.45 2.85 -0.23 0.00 -0.71 0.00 0.00 52.86 55.21 1r9c s ASN 68 Cb 0.24 -2.63 0.06 0.00 0.41 0.00 0.00 41.25 39.33 1r9c s ASN 68 CO 0.33 -0.85 0.56 -1.38 -1.51 0.00 0.00 177.10 174.25 1r9c s HIS 69 N 0.11 -0.48 -0.10 2.20 -3.43 -1.26 -4.29 115.29 108.05 1r9c s HIS 69 Ca 0.63 0.50 0.03 0.00 -0.80 0.00 0.00 55.06 55.41 1r9c s HIS 69 Cb -0.46 0.41 -0.01 0.00 -1.43 0.00 0.00 32.58 31.08 1r9c s HIS 69 CO 0.45 -0.70 -0.18 0.42 -2.00 0.00 0.00 174.74 172.74 1r9c s ILE 70 N -2.69 2.69 -0.11 -5.38 -1.09 -1.16 -5.01 121.20 108.44 1r9c s ILE 70 Ca -0.04 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 57.60 1r9c s ILE 70 Cb -0.00 -2.07 -0.00 0.00 -1.58 0.00 0.00 42.46 38.80 1r9c s ILE 70 CO -0.04 0.55 -0.22 0.00 -1.23 0.00 0.00 174.94 174.01 1r9c s ALA 71 N 0.04 2.27 0.10 9.38 0.00 -1.26 -1.36 121.76 130.92 1r9c s ALA 71 Ca -0.07 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1r9c s ALA 71 Cb -0.15 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1r9c s ALA 71 CO 0.05 0.23 0.16 -0.06 0.00 0.00 0.00 175.76 176.14 1r9c s PHE 72 N 0.42 3.33 -0.08 0.00 0.40 -0.03 -4.96 117.98 117.06 1r9c s PHE 72 Ca -0.16 0.12 -0.17 0.00 -0.60 0.00 0.00 56.93 56.12 1r9c s PHE 72 Cb -0.17 -1.65 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 1r9c s PHE 72 CO 0.07 0.54 0.46 0.21 0.70 0.00 0.00 175.22 177.19 1r9c s LYS 73 N -2.69 4.23 0.25 0.44 2.47 -1.26 -1.32 119.74 121.86 1r9c s LYS 73 Ca 0.32 0.44 0.02 0.00 -1.56 0.00 0.00 55.97 55.19 1r9c s LYS 73 Cb -0.12 -3.37 -0.05 0.00 -1.46 0.00 0.00 37.83 32.83 1r9c s LYS 73 CO 0.25 0.32 0.08 0.96 0.16 0.00 0.00 175.35 177.12 1r9c s ILE 74 N 0.09 0.63 0.14 5.43 -4.36 -0.79 -4.91 121.20 117.43 1r9c s ILE 74 Ca 0.25 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.48 1r9c s ILE 74 Cb -0.16 -2.57 -0.07 0.00 1.25 0.00 0.00 42.46 40.91 1r9c s ILE 74 CO 0.11 -0.07 0.58 -0.62 0.24 0.00 0.00 174.94 175.18 1r9c s ASP 75 N -3.31 6.90 0.46 4.36 -1.08 -1.26 -4.06 116.67 118.69 1r9c s ASP 75 Ca 0.36 1.16 0.23 0.00 -0.52 0.00 0.00 52.55 53.77 1r9c s ASP 75 Cb 0.08 -2.32 1.23 0.00 -1.46 0.00 0.00 42.92 40.45 1r9c s ASP 75 CO 0.12 0.13 1.87 -0.78 0.52 0.00 0.00 175.17 177.03 1r9c h ASP 76 N 3.73 0.26 0.44 -0.34 1.82 -1.95 -0.95 116.42 119.44 1r9c h ASP 76 Ca -0.49 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.16 1r9c h ASP 76 Cb 1.20 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 41.19 1r9c h ASP 76 CO 0.65 0.10 -0.10 0.00 -1.61 0.00 0.00 179.24 178.28 1r9c h ALA 77 N 1.60 1.20 -0.25 -0.78 0.00 -1.99 -2.53 119.26 116.51 1r9c h ALA 77 Ca 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1r9c h ALA 77 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1r9c h ALA 77 CO -0.12 0.12 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1r9c n ASP 78 N -3.49 2.73 -0.03 0.00 8.00 -0.36 -4.55 116.55 118.85 1r9c n ASP 78 Ca -0.01 -1.88 -0.08 0.00 0.71 0.00 0.00 54.79 53.52 1r9c n ASP 78 Cb 0.24 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 1r9c n ASP 78 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1r9c h PHE 79 N 3.69 -0.43 -0.53 1.24 3.57 -1.50 -0.37 116.94 122.62 1r9c h PHE 79 Ca 0.00 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1r9c h PHE 79 Cb 0.81 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1r9c h PHE 79 CO 0.15 -0.24 0.00 -0.44 -2.23 0.00 0.00 178.31 175.55 1r9c h ASP 80 N -0.18 0.92 -0.56 0.41 3.32 -1.83 -1.72 116.42 116.78 1r9c h ASP 80 Ca 0.12 -0.31 0.11 0.00 0.02 0.00 0.00 57.03 56.98 1r9c h ASP 80 Cb 0.36 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 39.56 1r9c h ASP 80 CO -0.30 1.00 -0.03 -0.09 -1.72 0.00 0.00 179.24 178.10 1r9c h ARG 81 N 0.81 0.09 -0.18 3.56 2.43 -1.78 -1.28 114.38 118.02 1r9c h ARG 81 Ca 0.15 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 1r9c h ARG 81 Cb 0.53 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1r9c h ARG 81 CO 0.03 0.06 -0.40 1.88 -1.51 0.00 0.00 179.97 180.03 1r9c h TYR 82 N 0.09 0.50 -0.71 2.20 -1.99 -0.77 -0.89 116.97 115.40 1r9c h TYR 82 Ca 0.29 -0.14 -0.05 0.00 2.00 0.00 0.00 58.73 60.82 1r9c h TYR 82 Cb 0.45 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 39.04 1r9c h TYR 82 CO -0.36 0.76 0.24 0.00 -0.00 0.00 0.00 178.16 178.79 1r9c h ALA 83 N 1.22 0.93 -0.25 3.88 0.00 -0.98 -1.65 119.26 122.41 1r9c h ALA 83 Ca 0.03 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1r9c h ALA 83 Cb 0.86 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1r9c h ALA 83 CO 0.07 0.59 -0.01 0.93 0.00 0.00 0.00 179.25 180.84 1r9c h GLU 84 N 1.04 0.06 -0.34 0.00 5.08 -1.00 -0.56 114.58 118.87 1r9c h GLU 84 Ca 0.23 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1r9c h GLU 84 Cb 0.28 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1r9c h GLU 84 CO -0.01 0.04 0.16 0.00 -1.00 0.00 0.00 179.01 178.21 1r9c h ARG 85 N 0.07 0.33 -0.61 2.33 3.08 -0.82 0.68 114.38 119.44 1r9c h ARG 85 Ca 0.12 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.19 1r9c h ARG 85 Cb 0.15 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1r9c h ARG 85 CO -0.20 0.22 0.36 0.28 -1.07 0.00 0.00 179.97 179.55 1r9c h VAL 86 N 0.34 1.02 -0.34 2.04 2.07 -1.18 -2.40 116.25 117.80 1r9c h VAL 86 Ca 0.14 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1r9c h VAL 86 Cb 0.06 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 1r9c h VAL 86 CO -0.10 0.13 -0.15 1.23 0.02 0.00 0.00 177.57 178.69 1r9c h GLY 87 N 0.69 0.12 2.00 2.17 0.00 -0.31 -2.73 103.07 105.00 1r9c h GLY 87 Ca 0.26 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.76 1r9c h GLY 87 CO -0.13 -0.17 -0.13 0.07 0.00 0.00 0.00 176.54 176.18 1r9c h LYS 88 N -0.10 0.00 0.00 4.80 2.10 -0.39 -1.27 116.57 121.71 1r9c h LYS 88 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1r9c h LYS 88 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1r9c h LYS 88 CO -0.41 0.13 -0.15 1.28 -2.00 0.00 0.00 179.45 178.30 1r9c n LEU 89 N -3.56 0.36 -0.34 7.07 4.77 -1.05 -4.95 117.00 119.30 1r9c n LEU 89 Ca -0.01 0.41 -0.03 0.00 -0.03 0.00 0.00 56.01 56.34 1r9c n LEU 89 Cb 0.26 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1r9c n LEU 89 CO 0.30 -0.03 -0.04 0.61 -1.33 0.00 0.00 177.39 176.90 1r9c n GLY 90 N 1.44 0.35 3.79 -0.72 0.00 -0.48 -5.03 105.19 104.54 1r9c n GLY 90 Ca 0.06 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 1r9c n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r9c s LEU 91 N -0.88 4.50 0.49 0.99 1.43 -1.18 -5.04 118.68 118.99 1r9c s LEU 91 Ca 0.00 1.53 -0.23 0.00 -1.03 0.00 0.00 54.13 54.40 1r9c s LEU 91 Cb 0.00 -3.35 -0.07 0.00 0.03 0.00 0.00 46.19 42.81 1r9c s LEU 91 CO 0.00 0.16 1.27 -1.81 0.23 0.00 0.00 176.35 176.20 1r9c s ASP 92 N -1.31 5.81 0.05 2.29 1.01 -1.26 -4.83 116.67 118.43 1r9c s ASP 92 Ca 0.37 2.57 -0.02 0.00 0.71 0.00 0.00 52.55 56.18 1r9c s ASP 92 Cb -0.21 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.07 1r9c s ASP 92 CO 0.24 -1.19 -0.00 0.00 0.21 0.00 0.00 175.17 174.43 1r9c s MET 93 N -2.71 0.60 0.50 8.23 0.23 -1.26 -1.71 119.30 123.17 1r9c s MET 93 Ca 0.66 -1.10 -0.18 0.00 -1.03 0.00 0.00 55.69 54.03 1r9c s MET 93 Cb -0.35 0.21 -0.08 0.00 -1.53 0.00 0.00 34.83 33.08 1r9c s MET 93 CO 0.43 -0.12 1.00 1.03 -2.03 0.00 0.00 175.02 175.33 1r9c s ARG 94 N -3.56 3.90 0.36 3.16 1.81 -0.27 -4.98 118.95 119.37 1r9c s ARG 94 Ca 0.04 1.13 -0.27 0.00 -1.72 0.00 0.00 55.73 54.90 1r9c s ARG 94 Cb 0.05 -2.12 -0.09 0.00 -0.45 0.00 0.00 34.95 32.34 1r9c s ARG 94 CO -0.09 -0.32 1.17 -2.14 -0.68 0.00 0.00 175.30 173.25 1r9c s PRO 95 N -3.64 4.26 0.07 3.54 0.02 -1.26 -4.62 135.00 133.37 1r9c s PRO 95 Ca 0.62 1.88 -0.31 0.00 0.02 0.00 0.00 61.00 63.22 1r9c s PRO 95 Cb -0.12 -2.87 -0.07 0.00 0.02 0.00 0.00 34.50 31.46 1r9c s PRO 95 CO 0.24 -0.16 1.39 -1.25 -0.33 0.00 0.00 177.00 176.90 1r9c s PRO 96 N -2.01 4.31 0.48 5.54 0.04 -1.26 -4.98 135.00 137.12 1r9c s PRO 96 Ca 0.52 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 63.38 1r9c s PRO 96 Cb -0.32 -3.38 -0.07 0.00 0.04 0.00 0.00 34.50 30.76 1r9c s PRO 96 CO 0.41 -0.49 1.11 1.03 0.04 0.00 0.00 177.00 179.11 1r9c s ARG 97 N 1.61 3.71 0.00 4.56 3.00 -1.26 -5.18 118.95 125.39 1r9c s ARG 97 Ca 0.64 1.61 -0.02 0.00 0.00 0.00 0.00 55.73 57.97 1r9c s ARG 97 Cb -0.35 -2.26 -0.09 0.00 0.00 0.00 0.00 34.95 32.25 1r9c s ARG 97 CO 0.29 -0.55 2.34 -0.35 0.00 0.00 0.00 175.30 177.02 1r9c n PRO 98 N -0.74 1.22 0.00 3.54 -0.04 -1.26 -5.05 135.00 132.67 1r9c n PRO 98 Ca 0.09 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1r9c n PRO 98 Cb 0.50 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1r9c n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r9c n GLY 104 N 1.96 0.00 3.23 0.55 0.00 -1.26 -5.17 105.19 104.50 1r9c n GLY 104 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1r9c n GLY 104 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1r9c s ARG 105 N 0.00 1.08 0.04 1.61 1.70 -1.26 -4.88 118.95 117.23 1r9c s ARG 105 Ca 0.00 -1.52 0.01 0.00 -0.47 0.00 0.00 55.73 53.75 1r9c s ARG 105 Cb 0.00 -0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.16 1r9c s ARG 105 CO 0.00 -0.14 -0.05 -1.12 -1.08 0.00 0.00 175.30 172.91 1r9c s SER 106 N -3.15 0.53 -0.16 -2.89 0.01 -1.26 -1.32 113.70 105.45 1r9c s SER 106 Ca 0.24 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 1r9c s SER 106 Cb 0.06 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 1r9c s SER 106 CO 0.03 -0.33 -0.08 -0.63 0.41 0.00 0.00 173.24 172.65 1r9c s ILE 107 N -1.96 3.39 -0.10 1.44 1.01 0.14 -4.72 121.20 120.41 1r9c s ILE 107 Ca -0.09 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1r9c s ILE 107 Cb -0.06 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1r9c s ILE 107 CO -0.02 0.49 -0.16 -0.31 0.00 0.00 0.00 174.94 174.93 1r9c s TYR 108 N 0.65 2.70 0.17 3.97 1.51 -1.26 -0.60 117.35 124.49 1r9c s TYR 108 Ca -0.04 -0.57 -0.06 0.00 -1.01 0.00 0.00 57.07 55.39 1r9c s TYR 108 Cb -0.15 -1.74 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1r9c s TYR 108 CO 0.02 -0.13 0.21 -0.59 -1.11 0.00 0.00 175.55 173.96 1r9c s PHE 109 N -0.01 0.66 0.08 2.71 -0.12 -0.67 -1.11 117.98 119.52 1r9c s PHE 109 Ca -0.05 -1.00 0.09 0.00 -0.05 0.00 0.00 56.93 55.92 1r9c s PHE 109 Cb -0.14 -0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 41.97 1r9c s PHE 109 CO 0.04 -0.68 -0.24 0.71 -0.05 0.00 0.00 175.22 175.00 1r9c s TYR 110 N -4.03 2.39 0.00 3.49 1.51 -0.69 -0.75 117.35 119.27 1r9c s TYR 110 Ca 0.24 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1r9c s TYR 110 Cb 0.05 -1.36 0.00 0.00 -0.11 0.00 0.00 41.96 40.54 1r9c s TYR 110 CO 0.04 0.24 0.00 -0.40 -1.11 0.00 0.00 175.55 174.32 1r9c n ASP 111 N 1.37 0.00 -0.58 2.29 3.85 -0.66 -4.21 116.55 118.60 1r9c n ASP 111 Ca -0.17 0.00 0.12 0.00 -0.71 0.00 0.00 54.79 54.03 1r9c n ASP 111 Cb 0.52 0.00 0.40 0.00 -1.35 0.00 0.00 41.12 40.70 1r9c n ASP 111 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1r9c n ASP 112 N 0.00 1.77 -1.26 -1.12 8.00 -1.26 -4.10 116.55 118.57 1r9c n ASP 112 Ca 0.00 -1.67 0.03 0.00 0.71 0.00 0.00 54.79 53.86 1r9c n ASP 112 Cb 0.00 -0.08 0.10 0.00 -0.02 0.00 0.00 41.12 41.12 1r9c n ASP 112 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1r9c n ASP 113 N 0.38 1.51 -0.26 -2.24 8.00 -1.26 -4.95 116.55 117.72 1r9c n ASP 113 Ca 0.17 -2.83 -0.03 0.00 0.71 0.00 0.00 54.79 52.80 1r9c n ASP 113 Cb 0.36 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 1r9c n ASP 113 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1r9c n ASN 114 N -0.26 -5.35 -4.72 -2.24 3.02 -1.26 -2.13 115.26 102.32 1r9c n ASN 114 Ca 0.13 0.09 -0.41 0.00 -0.03 0.00 0.00 54.58 54.35 1r9c n ASN 114 Cb 0.94 -3.15 -0.04 0.00 -0.61 0.00 0.00 39.78 36.92 1r9c n ASN 114 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1r9c s HIS 115 N -1.48 3.64 -0.08 3.10 3.76 -1.26 -4.55 115.29 118.42 1r9c s HIS 115 Ca 0.00 1.62 -0.14 0.00 -0.15 0.00 0.00 55.06 56.39 1r9c s HIS 115 Cb 0.00 -3.20 -0.05 0.00 1.11 0.00 0.00 32.58 30.44 1r9c s HIS 115 CO 0.00 -0.35 0.35 1.41 -0.85 0.00 0.00 174.74 175.29 1r9c s MET 116 N 0.39 4.01 0.24 1.40 1.75 -1.26 -1.65 119.30 124.18 1r9c s MET 116 Ca 0.51 0.25 0.09 0.00 -1.25 0.00 0.00 55.69 55.29 1r9c s MET 116 Cb -0.25 -3.31 -0.05 0.00 2.84 0.00 0.00 34.83 34.06 1r9c s MET 116 CO 0.30 0.50 -0.16 -0.06 -0.65 0.00 0.00 175.02 174.95 1r9c s PHE 117 N -0.38 1.96 -0.00 4.11 0.40 0.07 -2.96 117.98 121.18 1r9c s PHE 117 Ca 0.21 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1r9c s PHE 117 Cb -0.15 -0.91 -0.00 0.00 0.51 0.00 0.00 43.02 42.47 1r9c s PHE 117 CO 0.09 0.49 -0.03 -2.00 0.70 0.00 0.00 175.22 174.47 1r9c s GLU 118 N -3.60 0.29 -0.22 0.44 2.12 -0.47 -1.67 118.70 115.60 1r9c s GLU 118 Ca 0.26 -0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.43 1r9c s GLU 118 Cb -0.02 -0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.08 1r9c s GLU 118 CO 0.11 0.07 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.34 1r9c s LEU 119 N -0.06 2.88 -0.07 2.70 1.43 0.23 -0.85 118.68 124.94 1r9c s LEU 119 Ca 0.01 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1r9c s LEU 119 Cb -0.02 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1r9c s LEU 119 CO -0.00 -0.02 -0.19 -2.28 0.23 0.00 0.00 176.35 174.09 1r9c s HIS 120 N 1.46 1.99 -1.30 0.29 2.46 -0.44 -0.69 115.29 119.07 1r9c s HIS 120 Ca 0.06 -0.70 0.25 0.00 0.47 0.00 0.00 55.06 55.14 1r9c s HIS 120 Cb -0.14 -1.36 0.51 0.00 -0.13 0.00 0.00 32.58 31.47 1r9c s HIS 120 CO -0.03 -0.28 1.41 0.25 -2.47 0.00 0.00 174.74 173.62 1r9c n THR 121 N 3.40 0.00 -3.44 0.89 -2.24 -0.44 -1.88 114.28 110.58 1r9c n THR 121 Ca -0.20 -0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 1r9c n THR 121 Cb 0.52 0.40 0.03 0.00 -2.10 0.00 0.00 70.33 69.19 1r9c n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r9c n GLY 122 N 1.44 2.36 3.48 3.38 0.00 -1.26 -4.54 105.19 110.05 1r9c n GLY 122 Ca 0.08 -2.25 -0.23 0.00 0.00 0.00 0.00 46.02 43.62 1r9c n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r9c s THR 123 N -2.43 1.58 0.17 2.61 -4.23 -1.26 -4.98 115.64 107.09 1r9c s THR 123 Ca 0.43 -2.06 -0.15 0.00 -1.18 0.00 0.00 61.69 58.73 1r9c s THR 123 Cb -0.03 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 71.16 1r9c s THR 123 CO 0.27 -0.13 1.83 0.25 -0.54 0.00 0.00 174.62 176.30 1r9c h LEU 124 N 2.11 0.55 -0.82 4.79 5.85 -2.01 -0.43 115.31 125.34 1r9c h LEU 124 Ca -0.41 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.33 1r9c h LEU 124 Cb 1.24 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1r9c h LEU 124 CO 0.71 0.40 0.52 0.74 -0.34 0.00 0.00 178.44 180.47 1r9c h THR 125 N 0.65 1.09 -0.09 1.05 2.02 -1.99 0.40 112.91 116.04 1r9c h THR 125 Ca 0.17 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1r9c h THR 125 Cb -0.07 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.35 1r9c h THR 125 CO -0.04 0.18 0.01 -0.33 0.37 0.00 0.00 175.52 175.71 1r9c h GLU 126 N 0.99 0.16 -0.68 6.66 5.08 -1.92 -2.32 114.58 122.56 1r9c h GLU 126 Ca 0.34 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.74 1r9c h GLU 126 Cb 0.07 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1r9c h GLU 126 CO -0.14 0.40 0.33 -0.09 -1.00 0.00 0.00 179.01 178.51 1r9c h ARG 127 N -0.10 0.55 0.00 2.33 9.65 -0.36 -2.04 114.38 124.42 1r9c h ARG 127 Ca 0.03 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.78 1r9c h ARG 127 Cb 0.32 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 1r9c h ARG 127 CO 0.00 0.37 -0.43 -0.07 2.80 0.00 0.00 179.97 182.64 1r9c h LEU 128 N 0.57 0.00 -0.39 3.80 3.38 -0.88 -3.09 115.31 118.70 1r9c h LEU 128 Ca 0.33 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.18 1r9c h LEU 128 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1r9c h LEU 128 CO -0.26 0.43 -0.59 0.00 0.09 0.00 0.00 178.44 178.12 1r9c h ALA 129 N 1.57 0.74 -0.01 1.53 0.00 -0.99 -3.51 119.26 118.59 1r9c h ALA 129 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1r9c h ALA 129 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1r9c h ALA 129 CO 0.06 0.74 0.00 2.89 0.00 0.00 0.00 179.25 182.93