#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p97 s ALA 2 N 0.00 -0.53 -0.39 4.61 0.00 -1.26 -5.05 121.76 119.14 1p97 s ALA 2 Ca 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 1p97 s ALA 2 Cb 0.00 -0.51 0.13 0.00 0.00 0.00 0.00 23.12 22.74 1p97 s ALA 2 CO 0.00 -0.16 2.46 -1.33 0.00 0.00 0.00 175.76 176.74 1p97 n MET 3 N 3.73 2.15 0.00 0.00 0.00 -1.26 -4.27 117.12 117.47 1p97 n MET 3 Ca -0.20 -2.01 0.00 0.00 0.00 0.00 0.00 57.70 55.49 1p97 n MET 3 Cb 0.55 -1.92 0.00 0.00 0.00 0.00 0.00 33.22 31.85 1p97 n MET 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1p97 n ASP 4 N 0.65 0.00 -4.83 7.83 -0.08 -1.26 -5.10 116.55 113.77 1p97 n ASP 4 Ca 0.41 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.36 1p97 n ASP 4 Cb 0.58 0.01 -0.06 0.00 2.34 0.00 0.00 41.12 43.98 1p97 n ASP 4 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1p97 s SER 5 N -3.06 6.86 0.23 1.67 0.01 -1.26 -5.06 113.70 113.10 1p97 s SER 5 Ca 0.00 1.56 -0.11 0.00 1.31 0.00 0.00 55.95 58.71 1p97 s SER 5 Cb 0.00 -2.49 -0.07 0.00 0.21 0.00 0.00 66.02 63.67 1p97 s SER 5 CO 0.00 -0.34 0.58 -0.54 0.41 0.00 0.00 173.24 173.35 1p97 s LYS 6 N -3.21 3.86 -0.07 12.44 1.02 -1.24 -4.66 119.74 127.88 1p97 s LYS 6 Ca 0.59 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.96 1p97 s LYS 6 Cb -0.09 -2.65 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1p97 s LYS 6 CO 0.16 0.31 -0.06 0.99 -0.92 0.00 0.00 175.35 175.83 1p97 s THR 7 N -1.80 0.74 -0.09 2.17 2.01 -1.26 -1.57 115.64 115.85 1p97 s THR 7 Ca 0.47 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.33 1p97 s THR 7 Cb -0.12 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.62 1p97 s THR 7 CO 0.20 0.30 -0.20 0.72 -0.69 0.00 0.00 174.62 174.95 1p97 s PHE 8 N 1.32 2.17 0.36 4.92 -0.71 -0.94 -4.98 117.98 120.13 1p97 s PHE 8 Ca -0.04 -0.88 -0.25 0.00 -1.04 0.00 0.00 56.93 54.72 1p97 s PHE 8 Cb -0.14 -1.49 -0.09 0.00 -1.21 0.00 0.00 43.02 40.09 1p97 s PHE 8 CO -0.03 -0.38 1.02 -1.17 -1.34 0.00 0.00 175.22 173.33 1p97 s LEU 9 N 0.49 4.26 0.17 -1.99 1.98 -1.26 -2.57 118.68 119.76 1p97 s LEU 9 Ca -0.17 2.01 -0.08 0.00 -2.89 0.00 0.00 54.13 53.00 1p97 s LEU 9 Cb -0.17 -4.05 -0.01 0.00 0.66 0.00 0.00 46.19 42.62 1p97 s LEU 9 CO 0.07 -0.31 0.26 -0.94 -1.89 0.00 0.00 176.35 173.54 1p97 s SER 10 N -1.48 0.07 -0.11 3.68 1.04 0.10 -0.73 113.70 116.27 1p97 s SER 10 Ca 0.53 -0.96 -0.22 0.00 0.48 0.00 0.00 55.95 55.78 1p97 s SER 10 Cb -0.22 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.38 1p97 s SER 10 CO 0.28 -0.90 0.54 -0.60 0.98 0.00 0.00 173.24 173.55 1p97 s ARG 11 N -4.00 0.79 0.45 4.02 3.52 0.50 -0.31 118.95 123.92 1p97 s ARG 11 Ca 0.20 0.37 0.03 0.00 -0.13 0.00 0.00 55.73 56.20 1p97 s ARG 11 Cb 0.04 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.78 1p97 s ARG 11 CO 0.02 -0.19 0.07 -1.01 -0.81 0.00 0.00 175.30 173.38 1p97 s HIS 12 N -0.59 1.84 -0.04 5.12 3.76 0.76 -0.55 115.29 125.60 1p97 s HIS 12 Ca -0.07 -1.12 -0.02 0.00 -0.15 0.00 0.00 55.06 53.70 1p97 s HIS 12 Cb -0.03 -1.38 0.02 0.00 1.11 0.00 0.00 32.58 32.30 1p97 s HIS 12 CO 0.05 -0.04 0.09 0.45 -0.85 0.00 0.00 174.74 174.44 1p97 s SER 13 N -3.73 -0.05 0.00 1.40 0.15 -1.26 0.03 113.70 110.24 1p97 s SER 13 Ca 0.16 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1p97 s SER 13 Cb 0.02 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1p97 s SER 13 CO 0.09 -0.09 0.00 0.23 1.20 0.00 0.00 173.24 174.67 1p97 n MET 14 N 3.70 0.00 0.26 5.44 2.81 -1.25 -0.39 117.12 127.69 1p97 n MET 14 Ca -0.21 0.00 0.18 0.00 -1.81 0.00 0.00 57.70 55.86 1p97 n MET 14 Cb 0.55 0.00 0.92 0.00 -0.71 0.00 0.00 33.22 33.97 1p97 n MET 14 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1p97 h ASP 15 N 0.00 0.00 -3.19 7.83 3.58 -1.96 -3.46 116.42 119.22 1p97 h ASP 15 Ca 0.00 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 1p97 h ASP 15 Cb 0.00 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.11 1p97 h ASP 15 CO 0.00 0.00 -0.32 0.80 -2.88 0.00 0.00 179.24 176.84 1p97 n MET 16 N -2.75 -3.62 0.10 0.28 0.00 0.48 -4.97 117.12 106.63 1p97 n MET 16 Ca -0.02 0.40 -0.05 0.00 -0.00 0.00 0.00 57.70 58.03 1p97 n MET 16 Cb 0.09 -4.15 -0.02 0.00 0.00 0.00 0.00 33.22 29.14 1p97 n MET 16 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 1p97 h LYS 17 N -1.21 -0.32 0.00 2.12 2.10 -1.83 -3.38 116.57 114.05 1p97 h LYS 17 Ca -0.27 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1p97 h LYS 17 Cb 1.18 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1p97 h LYS 17 CO 0.27 -0.21 0.00 1.19 -2.00 0.00 0.00 179.45 178.69 1p97 n PHE 18 N -4.70 0.00 0.19 0.07 3.72 -1.25 -2.32 117.46 113.16 1p97 n PHE 18 Ca -0.04 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.39 1p97 n PHE 18 Cb 0.13 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 1p97 n PHE 18 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1p97 n THR 19 N 0.00 0.00 -3.74 4.37 -2.24 0.29 0.21 114.28 113.17 1p97 n THR 19 Ca 0.00 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1p97 n THR 19 Cb 0.00 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 68.94 1p97 n THR 19 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1p97 s TYR 20 N -1.77 -0.40 -0.03 4.78 5.04 -0.05 -4.88 117.35 120.03 1p97 s TYR 20 Ca 0.01 0.93 0.01 0.00 -2.44 0.00 0.00 57.07 55.57 1p97 s TYR 20 Cb 0.04 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.51 1p97 s TYR 20 CO 0.23 -0.22 -0.01 0.00 -1.34 0.00 0.00 175.55 174.21 1p97 s ASP 22 N 0.95 5.77 0.56 0.00 2.15 0.09 -4.76 116.67 121.42 1p97 s ASP 22 Ca -0.10 2.19 0.29 0.00 0.43 0.00 0.00 52.55 55.36 1p97 s ASP 22 Cb -0.14 -2.58 1.65 0.00 -0.30 0.00 0.00 42.92 41.55 1p97 s ASP 22 CO -0.01 -1.18 2.16 0.44 -0.17 0.00 0.00 175.17 176.41 1p97 h ASP 23 N 1.30 0.00 0.13 -0.34 3.32 -2.00 -1.33 116.42 117.50 1p97 h ASP 23 Ca -0.50 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 1p97 h ASP 23 Cb 1.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1p97 h ASP 23 CO 0.57 0.06 -0.01 0.03 -1.72 0.00 0.00 179.24 178.17 1p97 h ARG 24 N 0.00 0.00 -0.10 3.56 3.08 -1.95 -2.57 114.38 116.41 1p97 h ARG 24 Ca -0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1p97 h ARG 24 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1p97 h ARG 24 CO 0.01 0.01 0.08 0.97 -1.07 0.00 0.00 179.97 179.97 1p97 h ILE 25 N 0.00 0.86 -0.71 2.04 2.10 -1.58 -0.26 117.51 119.95 1p97 h ILE 25 Ca -0.00 0.00 0.15 0.00 1.08 0.00 0.00 64.86 66.09 1p97 h ILE 25 Cb 0.09 0.95 -0.10 0.00 -1.09 0.00 0.00 36.82 36.66 1p97 h ILE 25 CO 0.00 0.00 0.19 0.71 -1.08 0.00 0.00 178.15 177.97 1p97 h THR 26 N 0.00 0.56 0.00 2.19 1.35 -1.50 0.35 112.91 115.86 1p97 h THR 26 Ca 0.05 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1p97 h THR 26 Cb 0.20 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 66.86 1p97 h THR 26 CO -0.00 0.05 -0.40 -0.33 -0.25 0.00 0.00 175.52 174.59 1p97 h GLU 27 N 0.30 0.00 0.00 4.72 5.08 -1.28 -3.05 114.58 120.35 1p97 h GLU 27 Ca 0.40 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.62 1p97 h GLU 27 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1p97 h GLU 27 CO -0.47 0.00 -1.37 1.28 -1.00 0.00 0.00 179.01 177.45 1p97 n LEU 28 N -2.43 1.93 -0.26 1.33 4.77 -0.52 -4.70 117.00 117.12 1p97 n LEU 28 Ca 0.03 0.37 0.09 0.00 -0.03 0.00 0.00 56.01 56.47 1p97 n LEU 28 Cb 0.47 -0.78 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1p97 n LEU 28 CO 0.35 -0.05 0.16 -0.38 -1.33 0.00 0.00 177.39 176.14 1p97 n ILE 29 N -4.42 0.00 0.00 -0.08 5.41 0.11 -4.95 119.36 115.43 1p97 n ILE 29 Ca -0.25 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.27 1p97 n ILE 29 Cb 0.60 1.14 0.00 0.00 -0.71 0.00 0.00 39.64 40.66 1p97 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1p97 n GLY 30 N 1.30 3.06 2.91 7.39 0.00 -0.95 -1.65 105.19 117.25 1p97 n GLY 30 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1p97 n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p97 n TYR 31 N -1.67 -3.93 -3.93 1.61 4.01 -1.26 -4.83 117.16 107.17 1p97 n TYR 31 Ca 0.00 -0.92 -0.33 0.00 -0.16 0.00 0.00 57.90 56.49 1p97 n TYR 31 Cb 0.00 -0.76 -0.05 0.00 -0.31 0.00 0.00 39.34 38.22 1p97 n TYR 31 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1p97 s HIS 32 N -3.12 3.51 0.20 -0.72 2.46 -1.26 -3.55 115.29 112.81 1p97 s HIS 32 Ca 0.56 0.33 -0.13 0.00 0.47 0.00 0.00 55.06 56.30 1p97 s HIS 32 Cb -0.02 -1.81 0.23 0.00 -0.13 0.00 0.00 32.58 30.85 1p97 s HIS 32 CO 0.39 0.63 1.68 -1.35 -2.47 0.00 0.00 174.74 173.62 1p97 h PRO 33 N 3.81 0.12 0.00 2.88 0.11 -1.85 0.94 132.00 138.01 1p97 h PRO 33 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1p97 h PRO 33 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1p97 h PRO 33 CO 0.68 0.08 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 1p97 n GLU 34 N -5.24 0.09 -0.04 1.05 0.00 -1.26 -1.85 120.64 113.39 1p97 n GLU 34 Ca 0.07 0.27 -0.13 0.00 0.00 0.00 0.00 57.16 57.36 1p97 n GLU 34 Cb 0.30 -1.65 -0.11 0.00 0.00 0.00 0.00 31.44 29.98 1p97 n GLU 34 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1p97 h GLU 35 N 0.00 -0.02 0.00 3.44 4.22 -1.22 -3.19 114.58 117.82 1p97 h GLU 35 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1p97 h GLU 35 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1p97 h GLU 35 CO 0.00 0.70 0.00 -0.07 -2.18 0.00 0.00 179.01 177.46 1p97 h LEU 36 N -0.77 0.00 -8.25 1.64 4.07 -1.11 -3.43 115.31 107.46 1p97 h LEU 36 Ca -0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 1p97 h LEU 36 Cb 0.73 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 1p97 h LEU 36 CO 0.00 0.00 0.27 -0.76 -1.08 0.00 0.00 178.44 176.88 1p97 s LEU 37 N -6.14 2.88 0.00 1.67 1.43 -0.77 -2.34 118.68 115.41 1p97 s LEU 37 Ca 0.02 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1p97 s LEU 37 Cb 0.08 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1p97 s LEU 37 CO 0.56 -3.68 0.00 0.61 0.23 0.00 0.00 176.35 174.07 1p97 n GLY 38 N 6.67 1.52 2.77 -3.19 0.00 0.13 -4.98 105.19 108.12 1p97 n GLY 38 Ca 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 1p97 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1p97 s ARG 39 N -0.21 -0.03 -0.71 1.61 1.70 -0.99 -5.00 118.95 115.32 1p97 s ARG 39 Ca 0.00 0.21 -0.37 0.00 -0.47 0.00 0.00 55.73 55.11 1p97 s ARG 39 Cb 0.00 -0.26 -0.20 0.00 -0.57 0.00 0.00 34.95 33.92 1p97 s ARG 39 CO 0.00 -0.18 2.32 0.43 -1.08 0.00 0.00 175.30 176.79 1p97 n SER 40 N 4.25 0.51 -0.18 -2.89 7.64 -1.26 -3.92 113.62 117.78 1p97 n SER 40 Ca -0.27 0.43 -0.01 0.00 1.01 0.00 0.00 58.87 60.04 1p97 n SER 40 Cb 0.50 -0.88 0.09 0.00 -1.01 0.00 0.00 64.21 62.91 1p97 n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p97 h ALA 41 N 10.06 0.62 0.00 -0.43 0.00 -1.65 -2.82 119.26 125.04 1p97 h ALA 41 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1p97 h ALA 41 Cb 1.32 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1p97 h ALA 41 CO 1.19 -0.33 0.10 0.66 0.00 0.00 0.00 179.25 180.87 1p97 n TYR 42 N -5.15 0.14 0.57 0.00 4.01 -1.26 0.40 117.16 115.86 1p97 n TYR 42 Ca 0.07 0.07 0.11 0.00 -0.16 0.00 0.00 57.90 57.99 1p97 n TYR 42 Cb 0.29 -0.53 0.43 0.00 -0.31 0.00 0.00 39.34 39.23 1p97 n TYR 42 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1p97 n GLU 43 N -1.59 0.10 0.00 -0.72 -0.58 -1.06 -3.91 120.64 112.88 1p97 n GLU 43 Ca -0.00 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1p97 n GLU 43 Cb 0.10 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 1p97 n GLU 43 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1p97 n PHE 44 N -1.84 0.00 -1.05 -0.32 -1.74 0.49 -5.00 117.46 107.99 1p97 n PHE 44 Ca 0.04 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.51 1p97 n PHE 44 Cb 0.25 0.03 -0.06 0.00 1.52 0.00 0.00 39.48 41.22 1p97 n PHE 44 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 1p97 n TYR 45 N 0.00 1.64 -1.98 2.97 9.36 0.16 -2.66 117.16 126.65 1p97 n TYR 45 Ca 0.00 -1.68 -0.02 0.00 3.32 0.00 0.00 57.90 59.52 1p97 n TYR 45 Cb 0.19 -1.60 -0.02 0.00 -0.63 0.00 0.00 39.34 37.28 1p97 n TYR 45 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1p97 n HIS 46 N 7.38 -2.63 0.15 2.98 8.25 -1.24 -3.39 115.22 126.73 1p97 n HIS 46 Ca 0.49 1.54 -0.16 0.00 -0.26 0.00 0.00 57.72 59.33 1p97 n HIS 46 Cb 0.38 -2.94 -0.09 0.00 1.12 0.00 0.00 29.99 28.46 1p97 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p97 h ALA 47 N 2.35 -1.02 0.00 -1.41 0.00 -1.79 0.44 119.26 117.82 1p97 h ALA 47 Ca -0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1p97 h ALA 47 Cb 0.46 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1p97 h ALA 47 CO 0.00 -1.12 -0.78 1.37 0.00 0.00 0.00 179.25 178.72 1p97 h LEU 48 N -0.78 0.00 -0.52 0.00 -0.00 -1.91 -3.34 115.31 108.76 1p97 h LEU 48 Ca -0.02 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1p97 h LEU 48 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 1p97 h LEU 48 CO -0.22 0.07 -0.55 0.47 -0.00 0.00 0.00 178.44 178.22 1p97 n ASP 49 N -2.35 1.35 -0.28 0.17 8.00 -1.09 -4.00 116.55 118.35 1p97 n ASP 49 Ca 0.02 -1.08 0.09 0.00 0.71 0.00 0.00 54.79 54.52 1p97 n ASP 49 Cb 0.48 0.48 0.32 0.00 -0.02 0.00 0.00 41.12 42.39 1p97 n ASP 49 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1p97 h SER 50 N 1.26 0.76 -0.74 -2.24 0.87 -0.13 0.14 113.55 113.48 1p97 h SER 50 Ca 0.00 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 1p97 h SER 50 Cb 0.60 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1p97 h SER 50 CO 0.00 0.43 0.27 -0.08 -0.53 0.00 0.00 176.83 176.92 1p97 h GLU 51 N 0.83 1.12 -0.28 2.24 4.22 -1.83 0.58 114.58 121.46 1p97 h GLU 51 Ca 0.43 -0.22 -0.07 0.00 0.08 0.00 0.00 59.36 59.58 1p97 h GLU 51 Cb 0.51 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1p97 h GLU 51 CO -0.19 0.93 -0.14 -0.91 -2.18 0.00 0.00 179.01 176.52 1p97 h ASN 52 N 1.08 0.46 1.27 1.04 -0.26 -1.39 -0.89 115.58 116.89 1p97 h ASN 52 Ca 0.24 -0.12 -0.08 0.00 -0.56 0.00 0.00 56.30 55.78 1p97 h ASN 52 Cb 0.25 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1p97 h ASN 52 CO -0.02 0.63 -0.36 0.24 -1.06 0.00 0.00 177.43 176.87 1p97 h MET 53 N 0.44 0.00 0.07 0.81 2.86 0.07 0.25 114.93 119.42 1p97 h MET 53 Ca 0.08 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1p97 h MET 53 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1p97 h MET 53 CO 0.03 0.36 -0.03 1.15 1.06 0.00 0.00 176.91 179.48 1p97 h THR 54 N 0.00 1.07 -0.22 2.22 2.02 0.86 0.40 112.91 119.26 1p97 h THR 54 Ca -0.00 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.72 1p97 h THR 54 Cb 1.09 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1p97 h THR 54 CO 0.05 0.12 0.14 0.11 0.37 0.00 0.00 175.52 176.31 1p97 h LYS 55 N -0.29 0.25 0.14 6.66 6.56 -1.00 0.83 116.57 129.71 1p97 h LYS 55 Ca -0.01 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 1p97 h LYS 55 Cb 0.26 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 1p97 h LYS 55 CO 0.01 0.16 -0.07 1.03 -2.06 0.00 0.00 179.45 178.53 1p97 h SER 56 N 0.26 -0.16 -0.84 0.86 0.87 -0.02 -0.14 113.55 114.38 1p97 h SER 56 Ca 0.08 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1p97 h SER 56 Cb 0.02 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 1p97 h SER 56 CO -0.02 0.22 0.48 -0.74 -0.53 0.00 0.00 176.83 176.24 1p97 h HIS 57 N -0.56 1.14 -0.01 2.24 -0.00 0.09 0.74 115.15 118.80 1p97 h HIS 57 Ca -0.02 -0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.26 1p97 h HIS 57 Cb 0.43 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1p97 h HIS 57 CO 0.04 0.78 -0.36 0.37 -0.00 0.00 0.00 177.93 178.76 1p97 h GLN 58 N 1.18 0.01 0.06 5.26 4.15 -0.81 -0.21 115.11 124.75 1p97 h GLN 58 Ca 0.30 -0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.52 1p97 h GLN 58 Cb -0.00 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1p97 h GLN 58 CO -0.05 0.37 -0.99 -0.97 -1.93 0.00 0.00 178.83 175.26 1p97 h ASN 59 N 0.01 0.21 0.13 -0.69 -1.24 -0.15 -3.36 115.58 110.50 1p97 h ASN 59 Ca -0.00 -0.82 -0.03 0.00 0.71 0.00 0.00 56.30 56.16 1p97 h ASN 59 Cb 0.63 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 1p97 h ASN 59 CO 0.05 1.42 -0.15 0.25 -1.29 0.00 0.00 177.43 177.71 1p97 h LEU 60 N -0.63 0.03 -0.59 0.34 5.85 0.51 -1.69 115.31 119.14 1p97 h LEU 60 Ca -0.23 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.59 1p97 h LEU 60 Cb 1.47 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.41 1p97 h LEU 60 CO -0.01 0.19 0.15 0.00 -0.34 0.00 0.00 178.44 178.43 1p97 n THR 62 N -5.09 0.26 0.27 0.00 -1.04 -1.19 -4.49 114.28 103.00 1p97 n THR 62 Ca 0.08 -0.51 0.11 0.00 -2.04 0.00 0.00 64.05 61.70 1p97 n THR 62 Cb 0.30 1.03 -0.02 0.00 -1.82 0.00 0.00 70.33 69.82 1p97 n THR 62 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1p97 n LYS 63 N -0.13 0.49 0.00 -2.82 4.76 -0.64 -4.97 118.16 114.85 1p97 n LYS 63 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1p97 n LYS 63 Cb 0.15 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 1p97 n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p97 n GLY 64 N 1.27 2.45 3.53 0.72 0.00 -0.78 -4.93 105.19 107.46 1p97 n GLY 64 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1p97 n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1p97 s GLN 65 N -0.26 0.80 0.01 1.61 0.74 -1.26 -2.09 119.66 119.22 1p97 s GLN 65 Ca 0.00 -0.01 -0.23 0.00 0.05 0.00 0.00 55.36 55.17 1p97 s GLN 65 Cb 0.00 0.37 0.05 0.00 1.10 0.00 0.00 33.01 34.53 1p97 s GLN 65 CO 0.00 -0.29 0.53 0.54 -0.55 0.00 0.00 175.29 175.52 1p97 s VAL 66 N -1.91 0.03 -0.38 1.34 0.11 -0.08 -4.59 120.40 114.92 1p97 s VAL 66 Ca -0.01 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1p97 s VAL 66 Cb -0.01 -0.93 0.13 0.00 -1.53 0.00 0.00 36.38 34.04 1p97 s VAL 66 CO -0.01 -0.12 0.19 -0.69 -3.33 0.00 0.00 175.10 171.14 1p97 s VAL 67 N -1.99 0.98 0.44 2.04 1.01 -1.26 0.74 120.40 122.36 1p97 s VAL 67 Ca -0.08 -2.02 -0.18 0.00 0.00 0.00 0.00 61.98 59.70 1p97 s VAL 67 Cb -0.01 -1.70 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 1p97 s VAL 67 CO 0.02 -0.85 0.92 -0.44 0.00 0.00 0.00 175.10 174.75 1p97 s SER 68 N 0.89 6.77 0.00 3.32 0.01 -0.05 -4.97 113.70 119.68 1p97 s SER 68 Ca 0.15 1.54 0.00 0.00 1.31 0.00 0.00 55.95 58.95 1p97 s SER 68 Cb -0.22 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1p97 s SER 68 CO -0.07 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1p97 n GLY 69 N -0.98 1.96 3.49 3.44 0.00 -1.26 -1.86 105.19 109.97 1p97 n GLY 69 Ca 0.06 -2.12 -0.52 0.00 0.00 0.00 0.00 46.02 43.44 1p97 n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p97 n GLN 70 N -0.85 1.09 -4.69 1.61 6.02 -1.20 -4.30 117.38 115.05 1p97 n GLN 70 Ca 0.00 0.32 -0.31 0.00 -0.01 0.00 0.00 57.00 57.01 1p97 n GLN 70 Cb 0.00 -2.36 -0.09 0.00 1.02 0.00 0.00 30.24 28.82 1p97 n GLN 70 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1p97 s TYR 71 N 6.48 2.00 -0.33 1.08 -0.85 0.31 -4.84 117.35 121.19 1p97 s TYR 71 Ca 1.08 -0.94 -0.09 0.00 -0.52 0.00 0.00 57.07 56.60 1p97 s TYR 71 Cb -0.92 -1.58 0.01 0.00 0.38 0.00 0.00 41.96 39.85 1p97 s TYR 71 CO 0.53 0.20 0.14 1.03 -1.52 0.00 0.00 175.55 175.93 1p97 s ARG 72 N -3.82 3.05 -0.12 -3.49 3.00 -1.26 -1.72 118.95 114.60 1p97 s ARG 72 Ca 0.15 -0.90 -0.09 0.00 0.00 0.00 0.00 55.73 54.89 1p97 s ARG 72 Cb 0.04 -3.54 -0.04 0.00 0.00 0.00 0.00 34.95 31.41 1p97 s ARG 72 CO 0.08 -0.52 0.18 1.41 0.00 0.00 0.00 175.30 176.45 1p97 s MET 73 N 1.54 3.65 -0.01 3.54 1.75 0.74 -3.71 119.30 126.80 1p97 s MET 73 Ca 0.03 -0.06 -0.30 0.00 -1.25 0.00 0.00 55.69 54.10 1p97 s MET 73 Cb -0.18 -3.24 -0.06 0.00 2.84 0.00 0.00 34.83 34.19 1p97 s MET 73 CO 0.05 0.67 1.52 -1.17 -0.65 0.00 0.00 175.02 175.45 1p97 s LEU 74 N -0.77 4.32 0.54 4.11 2.96 -1.09 -0.59 118.68 128.16 1p97 s LEU 74 Ca 0.15 2.21 -0.05 0.00 -0.22 0.00 0.00 54.13 56.22 1p97 s LEU 74 Cb -0.12 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 1p97 s LEU 74 CO 0.04 -0.82 0.84 0.00 -1.32 0.00 0.00 176.35 175.10 1p97 s ALA 75 N 2.98 3.36 0.63 5.97 0.00 0.71 -4.86 121.76 130.55 1p97 s ALA 75 Ca 0.68 -0.61 0.18 0.00 0.00 0.00 0.00 51.96 52.21 1p97 s ALA 75 Cb -0.33 -2.59 0.78 0.00 0.00 0.00 0.00 23.12 20.97 1p97 s ALA 75 CO 0.28 -0.58 1.37 -0.22 0.00 0.00 0.00 175.76 176.61 1p97 h LYS 76 N 0.02 0.00 -0.11 0.00 3.64 -1.63 0.18 116.57 118.67 1p97 h LYS 76 Ca -0.46 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 1p97 h LYS 76 Cb 1.23 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.98 1p97 h LYS 76 CO 0.61 0.00 -0.56 -2.39 -2.27 0.00 0.00 179.45 174.84 1p97 n HIS 77 N -2.99 0.39 -1.20 1.91 1.44 -1.26 -4.91 115.22 108.60 1p97 n HIS 77 Ca 0.09 -1.58 -0.07 0.00 -2.01 0.00 0.00 57.72 54.15 1p97 n HIS 77 Cb 1.05 -0.26 -0.03 0.00 0.12 0.00 0.00 29.99 30.87 1p97 n HIS 77 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1p97 n GLY 78 N -1.03 0.90 3.96 -1.39 0.00 0.61 -5.01 105.19 103.23 1p97 n GLY 78 Ca 0.22 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 1p97 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p97 s GLY 79 N -2.86 1.79 -0.07 -0.02 0.00 -1.18 -4.74 107.32 100.23 1p97 s GLY 79 Ca 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 44.72 43.25 1p97 s GLY 79 CO 0.00 -0.71 0.04 -0.19 0.00 0.00 0.00 173.10 172.23 1p97 s TYR 80 N -3.69 0.39 -0.10 1.90 2.02 -0.42 -0.21 117.35 117.24 1p97 s TYR 80 Ca 0.73 -0.03 -0.02 0.00 -0.37 0.00 0.00 57.07 57.39 1p97 s TYR 80 Cb -0.03 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.83 1p97 s TYR 80 CO 0.51 -0.30 -0.04 0.14 -1.57 0.00 0.00 175.55 174.29 1p97 s VAL 81 N 2.06 3.96 -0.22 0.71 -7.23 0.24 0.66 120.40 120.59 1p97 s VAL 81 Ca 0.04 -0.36 -0.23 0.00 -1.81 0.00 0.00 61.98 59.62 1p97 s VAL 81 Cb -0.13 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1p97 s VAL 81 CO -0.05 0.56 0.73 0.26 -0.31 0.00 0.00 175.10 176.30 1p97 s TRP 82 N -0.44 3.34 0.03 2.82 0.52 -1.22 -0.18 118.94 123.82 1p97 s TRP 82 Ca 0.07 1.04 0.01 0.00 0.02 0.00 0.00 56.10 57.24 1p97 s TRP 82 Cb -0.12 -2.93 -0.02 0.00 -1.15 0.00 0.00 33.47 29.25 1p97 s TRP 82 CO 0.02 -0.29 -0.05 -0.51 0.02 0.00 0.00 176.95 176.14 1p97 s LEU 83 N 2.38 2.25 -0.07 2.99 1.02 -0.70 -1.32 118.68 125.24 1p97 s LEU 83 Ca 0.32 -0.53 0.02 0.00 0.02 0.00 0.00 54.13 53.95 1p97 s LEU 83 Cb -0.16 -0.01 -0.03 0.00 0.02 0.00 0.00 46.19 46.01 1p97 s LEU 83 CO 0.09 -0.26 -0.10 -0.70 0.02 0.00 0.00 176.35 175.40 1p97 s GLU 84 N -1.56 2.77 -0.15 1.70 2.12 -0.40 -0.53 118.70 122.66 1p97 s GLU 84 Ca -0.13 -0.62 -0.00 0.00 0.36 0.00 0.00 54.97 54.58 1p97 s GLU 84 Cb -0.10 -2.53 0.03 0.00 0.26 0.00 0.00 34.13 31.79 1p97 s GLU 84 CO -0.01 0.58 -0.08 0.99 -0.54 0.00 0.00 175.26 176.21 1p97 s THR 85 N -0.59 1.20 -0.46 -1.70 2.01 -0.78 -0.07 115.64 115.25 1p97 s THR 85 Ca 0.09 -0.56 -0.26 0.00 0.31 0.00 0.00 61.69 61.26 1p97 s THR 85 Cb -0.12 -1.28 0.03 0.00 0.01 0.00 0.00 72.50 71.14 1p97 s THR 85 CO 0.02 0.25 0.97 -1.58 -0.69 0.00 0.00 174.62 173.59 1p97 s GLN 86 N 1.61 3.59 0.08 4.92 0.74 0.35 -0.87 119.66 130.09 1p97 s GLN 86 Ca 0.02 0.27 0.02 0.00 0.05 0.00 0.00 55.36 55.72 1p97 s GLN 86 Cb -0.14 -3.92 -0.04 0.00 1.10 0.00 0.00 33.01 30.01 1p97 s GLN 86 CO -0.08 -1.25 0.16 0.20 -0.55 0.00 0.00 175.29 173.77 1p97 s GLY 87 N 2.29 2.04 -0.18 2.59 0.00 0.23 -0.85 107.32 113.44 1p97 s GLY 87 Ca 0.39 -0.96 -0.16 0.00 0.00 0.00 0.00 44.72 44.00 1p97 s GLY 87 CO 0.27 -0.94 0.46 -1.59 0.00 0.00 0.00 173.10 171.31 1p97 s THR 88 N -1.50 -0.00 -0.30 0.90 2.01 -0.55 -0.90 115.64 115.30 1p97 s THR 88 Ca 0.32 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.24 1p97 s THR 88 Cb -0.12 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 1p97 s THR 88 CO 0.25 0.00 0.14 -0.69 -0.69 0.00 0.00 174.62 173.63 1p97 s VAL 89 N 0.30 4.57 -0.42 3.82 1.01 -0.89 -0.01 120.40 128.78 1p97 s VAL 89 Ca -0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 1p97 s VAL 89 Cb -0.03 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.08 1p97 s VAL 89 CO -0.00 0.13 0.77 -0.51 0.00 0.00 0.00 175.10 175.49 1p97 s ILE 90 N 1.62 4.69 0.37 2.22 2.07 0.11 -4.88 121.20 127.39 1p97 s ILE 90 Ca 0.05 0.52 -0.09 0.00 -1.41 0.00 0.00 60.65 59.72 1p97 s ILE 90 Cb -0.17 -4.28 -0.06 0.00 0.13 0.00 0.00 42.46 38.09 1p97 s ILE 90 CO 0.06 -0.62 0.71 -0.31 -1.91 0.00 0.00 174.94 172.86 1p97 s TYR 91 N 3.19 3.47 0.12 3.50 1.51 -1.26 -0.89 117.35 126.98 1p97 s TYR 91 Ca 0.29 0.93 -0.31 0.00 -1.01 0.00 0.00 57.07 56.98 1p97 s TYR 91 Cb -0.13 -2.35 -0.08 0.00 -0.11 0.00 0.00 41.96 39.30 1p97 s TYR 91 CO 0.21 -0.02 1.37 -0.80 -1.11 0.00 0.00 175.55 175.20 1p97 s ASN 92 N -3.13 6.84 0.24 2.29 -0.87 -0.08 -4.69 114.94 115.54 1p97 s ASN 92 Ca 0.49 2.31 -0.02 0.00 -1.57 0.00 0.00 52.86 54.07 1p97 s ASN 92 Cb -0.10 -2.59 0.29 0.00 -0.02 0.00 0.00 41.25 38.83 1p97 s ASN 92 CO 0.30 -0.63 1.71 1.55 -2.57 0.00 0.00 177.10 177.46 1p97 h PRO 93 N 6.69 0.76 0.00 -0.60 0.13 -1.96 0.82 132.00 137.84 1p97 h PRO 93 Ca -0.42 -0.25 -0.28 0.00 -0.87 0.00 0.00 66.00 64.18 1p97 h PRO 93 Cb 1.21 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 1p97 h PRO 93 CO 0.85 0.84 -1.74 0.54 -0.23 0.00 0.00 178.00 178.26 1p97 n ARG 94 N -4.17 0.64 -0.02 0.86 1.74 -1.26 -4.30 116.66 110.14 1p97 n ARG 94 Ca 0.01 0.25 0.04 0.00 -0.77 0.00 0.00 57.85 57.38 1p97 n ARG 94 Cb 0.36 -1.76 -0.14 0.00 -1.02 0.00 0.00 32.46 29.89 1p97 n ARG 94 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1p97 n ASN 95 N -2.98 0.18 -0.47 0.55 4.13 -1.21 -4.96 115.26 110.50 1p97 n ASN 95 Ca -0.17 0.08 -0.05 0.00 1.68 0.00 0.00 54.58 56.11 1p97 n ASN 95 Cb 1.03 1.35 -0.02 0.00 -1.54 0.00 0.00 39.78 40.59 1p97 n ASN 95 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1p97 n LEU 96 N -2.52 0.17 -4.89 3.41 7.99 0.29 -4.93 117.00 116.51 1p97 n LEU 96 Ca -0.13 0.13 -0.30 0.00 -0.01 0.00 0.00 56.01 55.71 1p97 n LEU 96 Cb 0.77 -2.21 0.04 0.00 -0.11 0.00 0.00 43.42 41.91 1p97 n LEU 96 CO 0.44 -0.83 0.71 -1.10 -1.51 0.00 0.00 177.39 175.10 1p97 s GLN 97 N -2.18 2.95 -0.63 3.23 -1.52 -1.26 -4.67 119.66 115.58 1p97 s GLN 97 Ca 0.00 0.42 -0.26 0.00 -1.95 0.00 0.00 55.36 53.57 1p97 s GLN 97 Cb 0.00 -2.07 -0.05 0.00 -0.22 0.00 0.00 33.01 30.67 1p97 s GLN 97 CO 0.00 -0.93 2.11 -1.25 -0.25 0.00 0.00 175.29 174.97 1p97 s PRO 98 N -5.28 2.34 0.02 2.91 0.04 -1.26 -0.91 135.00 132.86 1p97 s PRO 98 Ca 0.57 0.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.12 1p97 s PRO 98 Cb -0.11 -4.59 -0.16 0.00 0.04 0.00 0.00 34.50 29.68 1p97 s PRO 98 CO 0.51 -3.18 1.30 0.37 0.04 0.00 0.00 177.00 176.04 1p97 h GLN 99 N 15.72 0.27 -2.87 4.56 5.75 -1.29 -3.33 115.11 133.92 1p97 h GLN 99 Ca -0.18 -0.16 0.06 0.00 -0.15 0.00 0.00 58.65 58.23 1p97 h GLN 99 Cb 1.16 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.64 1p97 h GLN 99 CO 1.18 0.71 0.27 0.00 -2.65 0.00 0.00 178.83 178.35 1p97 s ILE 101 N -3.75 3.03 -0.34 0.00 1.09 0.10 -0.71 121.20 120.63 1p97 s ILE 101 Ca 0.08 -0.67 -0.08 0.00 -1.10 0.00 0.00 60.65 58.88 1p97 s ILE 101 Cb -0.04 -2.26 0.03 0.00 -1.06 0.00 0.00 42.46 39.13 1p97 s ILE 101 CO 0.00 0.53 0.13 -0.04 -0.10 0.00 0.00 174.94 175.46 1p97 s MET 102 N 0.29 2.80 -0.23 2.79 -1.94 0.99 -0.17 119.30 123.82 1p97 s MET 102 Ca -0.10 -1.07 -0.06 0.00 -1.71 0.00 0.00 55.69 52.75 1p97 s MET 102 Cb -0.16 -3.52 -0.02 0.00 2.01 0.00 0.00 34.83 33.14 1p97 s MET 102 CO 0.06 -0.62 0.04 0.00 -0.01 0.00 0.00 175.02 174.48 1p97 s VAL 104 N 1.47 5.24 -0.08 0.00 1.01 -0.03 -0.72 120.40 127.29 1p97 s VAL 104 Ca 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1p97 s VAL 104 Cb -0.15 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1p97 s VAL 104 CO 0.02 -0.01 -0.10 0.20 0.00 0.00 0.00 175.10 175.21 1p97 s ASN 105 N 1.73 4.36 -0.31 3.32 0.01 -1.06 -0.49 114.94 122.49 1p97 s ASN 105 Ca 0.09 -0.14 0.03 0.00 -0.71 0.00 0.00 52.86 52.13 1p97 s ASN 105 Cb -0.17 -1.19 0.09 0.00 0.41 0.00 0.00 41.25 40.39 1p97 s ASN 105 CO 0.11 0.31 0.02 -0.31 -1.51 0.00 0.00 177.10 175.71 1p97 s TYR 106 N -0.49 3.32 -0.30 2.20 2.02 0.91 -2.21 117.35 122.79 1p97 s TYR 106 Ca 0.07 -2.62 -0.29 0.00 -0.37 0.00 0.00 57.07 53.85 1p97 s TYR 106 Cb -0.12 -2.48 0.01 0.00 -0.40 0.00 0.00 41.96 38.97 1p97 s TYR 106 CO 0.02 -0.91 1.24 0.54 -1.57 0.00 0.00 175.55 174.86 1p97 s VAL 107 N 1.06 4.24 -0.07 0.71 0.11 -0.61 -1.28 120.40 124.57 1p97 s VAL 107 Ca 0.06 1.41 -0.08 0.00 -2.93 0.00 0.00 61.98 60.44 1p97 s VAL 107 Cb -0.19 -4.23 -0.03 0.00 -1.53 0.00 0.00 36.38 30.40 1p97 s VAL 107 CO -0.09 -0.48 -0.15 0.18 -3.33 0.00 0.00 175.10 171.23 1p97 n LEU 108 N 7.39 0.89 -4.94 2.54 4.77 -0.43 -3.60 117.00 123.62 1p97 n LEU 108 Ca 0.14 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 56.01 1p97 n LEU 108 Cb 0.47 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1p97 n LEU 108 CO 0.62 -0.42 0.05 -0.55 -1.33 0.00 0.00 177.39 175.76 1p97 s SER 109 N -4.99 6.35 0.71 -1.43 0.15 -1.19 -5.01 113.70 108.30 1p97 s SER 109 Ca -0.12 0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1p97 s SER 109 Cb 0.02 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1p97 s SER 109 CO 0.18 -0.10 0.00 -1.84 1.20 0.00 0.00 173.24 172.68 1p97 n GLU 110 N -1.05 0.32 -1.64 5.44 0.28 -1.26 -3.38 120.64 119.35 1p97 n GLU 110 Ca -0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.52 1p97 n GLU 110 Cb 0.55 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.39 1p97 n GLU 110 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1p97 s ILE 111 N -0.62 3.03 0.03 3.84 1.01 -1.26 -4.18 121.20 123.04 1p97 s ILE 111 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.73 1p97 s ILE 111 Cb 0.00 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 1p97 s ILE 111 CO 0.00 -0.02 -0.12 -1.61 0.00 0.00 0.00 174.94 173.19 1p97 s GLU 112 N 5.79 2.30 -0.52 2.79 0.41 0.21 -4.93 118.70 124.76 1p97 s GLU 112 Ca 0.96 -0.86 0.06 0.00 -0.41 0.00 0.00 54.97 54.72 1p97 s GLU 112 Cb -0.35 -2.34 0.21 0.00 -1.78 0.00 0.00 34.13 29.87 1p97 s GLU 112 CO 0.37 0.57 0.51 1.63 -0.49 0.00 0.00 175.26 177.84 1p97 n LYS 113 N 1.51 1.18 0.00 1.61 5.02 -1.26 -1.29 118.16 124.92 1p97 n LYS 113 Ca -0.16 -3.78 0.00 0.00 -2.02 0.00 0.00 58.31 52.35 1p97 n LYS 113 Cb 0.52 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1p97 n LYS 113 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97