#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p97 n ALA 2 N 0.00 1.85 -0.67 4.61 0.00 -1.26 -5.15 120.51 119.90 1p97 n ALA 2 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1p97 n ALA 2 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 1p97 n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1p97 n MET 3 N -1.79 -0.42 -4.47 0.00 2.00 -1.26 -4.94 117.12 106.24 1p97 n MET 3 Ca 0.00 0.28 -0.25 0.00 0.00 0.00 0.00 57.70 57.72 1p97 n MET 3 Cb 0.26 -0.51 -0.10 0.00 0.00 0.00 0.00 33.22 32.87 1p97 n MET 3 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1p97 s ASP 4 N -4.27 3.88 0.00 7.83 -4.77 -1.26 -5.15 116.67 112.93 1p97 s ASP 4 Ca 0.00 -1.12 0.00 0.00 -3.30 0.00 0.00 52.55 48.13 1p97 s ASP 4 Cb 0.00 -0.41 0.00 0.00 -1.09 0.00 0.00 42.92 41.42 1p97 s ASP 4 CO 0.00 -0.20 0.00 -1.20 0.70 0.00 0.00 175.17 174.47 1p97 n SER 5 N -0.84 0.00 -4.46 2.11 7.64 -1.26 -5.08 113.62 111.74 1p97 n SER 5 Ca -0.05 -0.90 -0.43 0.00 1.01 0.00 0.00 58.87 58.50 1p97 n SER 5 Cb 0.63 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.80 1p97 n SER 5 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1p97 s LYS 6 N -1.71 3.40 -0.12 1.43 1.02 -1.26 -4.98 119.74 117.52 1p97 s LYS 6 Ca 0.00 -1.36 0.02 0.00 0.02 0.00 0.00 55.97 54.65 1p97 s LYS 6 Cb 0.00 -4.66 0.01 0.00 -0.52 0.00 0.00 37.83 32.66 1p97 s LYS 6 CO 0.00 -1.81 -0.18 0.99 -0.92 0.00 0.00 175.35 173.43 1p97 s THR 7 N 3.35 1.73 -0.05 2.17 2.01 -1.26 -0.28 115.64 123.31 1p97 s THR 7 Ca 0.29 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1p97 s THR 7 Cb -0.10 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.86 1p97 s THR 7 CO -0.02 0.49 -0.16 0.72 -0.69 0.00 0.00 174.62 174.96 1p97 s PHE 8 N 0.89 1.66 0.33 4.92 -0.12 -0.93 -4.96 117.98 119.77 1p97 s PHE 8 Ca -0.07 -0.53 -0.27 0.00 -0.05 0.00 0.00 56.93 56.01 1p97 s PHE 8 Cb -0.15 -1.15 -0.09 0.00 -0.63 0.00 0.00 43.02 41.00 1p97 s PHE 8 CO -0.01 -0.21 1.04 -1.17 -0.05 0.00 0.00 175.22 174.81 1p97 s LEU 9 N 0.25 4.36 0.19 -1.99 1.98 -1.26 -2.33 118.68 119.88 1p97 s LEU 9 Ca -0.08 2.08 -0.10 0.00 -2.89 0.00 0.00 54.13 53.14 1p97 s LEU 9 Cb -0.13 -3.92 -0.01 0.00 0.66 0.00 0.00 46.19 42.79 1p97 s LEU 9 CO 0.03 -0.25 0.34 -0.94 -1.89 0.00 0.00 176.35 173.64 1p97 s SER 10 N -1.30 -0.00 -0.06 3.68 1.04 -0.05 -0.64 113.70 116.37 1p97 s SER 10 Ca 0.51 -0.91 -0.25 0.00 0.48 0.00 0.00 55.95 55.78 1p97 s SER 10 Cb -0.25 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.40 1p97 s SER 10 CO 0.32 -0.96 0.56 0.00 0.98 0.00 0.00 173.24 174.13 1p97 s ARG 11 N -3.99 0.89 0.45 4.02 1.70 0.64 -0.58 118.95 122.07 1p97 s ARG 11 Ca 0.20 0.19 0.03 0.00 -0.47 0.00 0.00 55.73 55.68 1p97 s ARG 11 Cb 0.02 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.80 1p97 s ARG 11 CO 0.03 -0.25 0.07 -1.01 -1.08 0.00 0.00 175.30 173.06 1p97 s HIS 12 N -1.05 1.85 -0.03 5.89 3.76 0.77 -0.21 115.29 126.27 1p97 s HIS 12 Ca -0.10 -1.12 0.01 0.00 -0.15 0.00 0.00 55.06 53.70 1p97 s HIS 12 Cb -0.02 -1.36 0.01 0.00 1.11 0.00 0.00 32.58 32.32 1p97 s HIS 12 CO 0.07 -0.05 -0.04 -1.54 -0.85 0.00 0.00 174.74 172.33 1p97 s SER 13 N -3.71 0.78 0.00 1.40 1.04 -1.26 0.10 113.70 112.04 1p97 s SER 13 Ca 0.18 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1p97 s SER 13 Cb 0.03 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1p97 s SER 13 CO 0.10 -0.02 0.00 0.23 0.98 0.00 0.00 173.24 174.53 1p97 n MET 14 N 3.70 0.00 0.05 4.02 2.81 -1.25 -0.10 117.12 126.35 1p97 n MET 14 Ca -0.22 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.75 1p97 n MET 14 Cb 0.53 0.00 0.36 0.00 -0.71 0.00 0.00 33.22 33.40 1p97 n MET 14 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1p97 n ASP 15 N 1.24 0.25 -0.57 7.83 5.68 -1.26 -4.87 116.55 124.85 1p97 n ASP 15 Ca 0.00 0.57 -0.03 0.00 -0.50 0.00 0.00 54.79 54.83 1p97 n ASP 15 Cb 0.00 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 1p97 n ASP 15 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1p97 n MET 16 N -1.79 -0.58 0.45 0.11 0.00 0.85 -4.95 117.12 111.21 1p97 n MET 16 Ca 0.02 0.13 -0.18 0.00 -0.00 0.00 0.00 57.70 57.68 1p97 n MET 16 Cb 0.17 -3.48 -0.08 0.00 0.00 0.00 0.00 33.22 29.83 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 -0.15 -1.11 0.00 2.12 2.10 -1.81 -3.37 116.57 114.34 1p97 h LYS 17 Ca -0.07 0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1p97 h LYS 17 Cb 1.05 0.25 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1p97 h LYS 17 CO 0.08 -0.74 0.00 1.19 -2.00 0.00 0.00 179.45 177.98 1p97 n PHE 18 N -5.45 0.00 0.24 0.07 3.72 -1.25 -1.21 117.46 113.59 1p97 n PHE 18 Ca -0.14 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.29 1p97 n PHE 18 Cb 0.45 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.95 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 -3.75 4.37 -2.24 0.70 0.50 114.28 113.87 1p97 n THR 19 Ca 0.00 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1p97 n THR 19 Cb 0.00 0.86 -0.12 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.80 -0.33 -0.03 4.78 5.04 -0.29 -4.83 117.35 119.89 1p97 s TYR 20 Ca 0.01 0.78 0.01 0.00 -2.44 0.00 0.00 57.07 55.44 1p97 s TYR 20 Cb 0.05 0.08 0.02 0.00 0.35 0.00 0.00 41.96 42.46 1p97 s TYR 20 CO 0.27 -0.21 -0.02 0.00 -1.34 0.00 0.00 175.55 174.25 1p97 s ASP 22 N 0.72 5.18 0.50 0.00 -1.08 0.19 -4.64 116.67 117.54 1p97 s ASP 22 Ca -0.08 2.12 0.19 0.00 -0.52 0.00 0.00 52.55 54.25 1p97 s ASP 22 Cb -0.11 -2.57 1.27 0.00 -1.46 0.00 0.00 42.92 40.05 1p97 s ASP 22 CO -0.01 -1.58 2.09 0.44 0.52 0.00 0.00 175.17 176.63 1p97 h ASP 23 N 0.38 0.00 0.20 -0.34 5.19 -2.00 -1.93 116.42 117.91 1p97 h ASP 23 Ca -0.48 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1p97 h ASP 23 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 1p97 h ASP 23 CO 0.54 0.09 -0.01 0.03 -3.12 0.00 0.00 179.24 176.77 1p97 h ARG 24 N 0.00 0.00 -0.06 3.56 3.08 -1.95 -2.77 114.38 116.24 1p97 h ARG 24 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1p97 h ARG 24 Cb 0.17 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 0.04 0.97 -1.07 0.00 0.00 179.97 179.94 1p97 h ILE 25 N 0.00 1.00 -0.90 2.04 2.10 -1.63 0.87 117.51 120.99 1p97 h ILE 25 Ca -0.00 -0.02 0.17 0.00 1.08 0.00 0.00 64.86 66.10 1p97 h ILE 25 Cb 0.12 0.94 -0.07 0.00 -1.09 0.00 0.00 36.82 36.72 1p97 h ILE 25 CO 0.00 0.01 0.58 0.71 -1.08 0.00 0.00 178.15 178.37 1p97 h THR 26 N 0.05 0.75 0.00 2.19 1.35 -1.10 0.31 112.91 116.47 1p97 h THR 26 Ca 0.02 -0.19 -0.06 0.00 -0.55 0.00 0.00 66.41 65.64 1p97 h THR 26 Cb 0.03 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.59 1p97 h THR 26 CO -0.00 0.10 -1.01 -0.33 -0.25 0.00 0.00 175.52 174.02 1p97 h GLU 27 N 0.56 0.00 0.00 4.72 4.39 -1.07 -3.13 114.58 120.05 1p97 h GLU 27 Ca 0.46 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.82 1p97 h GLU 27 Cb 0.94 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.54 1p97 h GLU 27 CO -0.21 0.12 -2.04 1.28 -1.16 0.00 0.00 179.01 177.00 1p97 n LEU 28 N -2.81 1.93 -0.02 1.33 4.77 -0.44 -4.60 117.00 117.16 1p97 n LEU 28 Ca -0.02 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.40 1p97 n LEU 28 Cb 0.65 -0.84 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1p97 n LEU 28 CO 0.40 0.38 -0.02 -0.38 -1.33 0.00 0.00 177.39 176.44 1p97 n ILE 29 N -4.33 0.00 0.00 -0.08 2.08 0.98 -4.96 119.36 113.05 1p97 n ILE 29 Ca -0.44 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 62.75 1p97 n ILE 29 Cb 0.78 1.01 0.00 0.00 -0.75 0.00 0.00 39.64 40.68 1p97 n ILE 29 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1p97 n GLY 30 N 1.37 2.86 3.83 7.39 0.00 -0.86 -0.87 105.19 118.92 1p97 n GLY 30 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1p97 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p97 s TYR 31 N -0.84 3.19 0.27 1.61 2.02 -1.26 -4.77 117.35 117.58 1p97 s TYR 31 Ca 0.00 1.33 0.08 0.00 -0.37 0.00 0.00 57.07 58.12 1p97 s TYR 31 Cb 0.00 -2.89 -0.04 0.00 -0.40 0.00 0.00 41.96 38.63 1p97 s TYR 31 CO 0.00 -1.19 0.11 -3.38 -1.57 0.00 0.00 175.55 169.51 1p97 s HIS 32 N -3.11 2.87 0.24 2.71 -3.43 -1.26 -2.00 115.29 111.30 1p97 s HIS 32 Ca 0.58 -0.20 -0.09 0.00 -0.80 0.00 0.00 55.06 54.54 1p97 s HIS 32 Cb -0.13 -1.36 0.37 0.00 -1.43 0.00 0.00 32.58 30.02 1p97 s HIS 32 CO 0.54 0.52 1.63 -1.35 -2.00 0.00 0.00 174.74 174.08 1p97 h PRO 33 N 1.66 0.05 0.00 -0.38 0.11 -1.82 0.49 132.00 132.11 1p97 h PRO 33 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1p97 h PRO 33 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1p97 h PRO 33 CO 0.61 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 1p97 n GLU 34 N -5.40 0.14 -0.01 1.05 1.02 -1.26 -1.72 120.64 114.45 1p97 n GLU 34 Ca 0.12 0.28 -0.16 0.00 -0.02 0.00 0.00 57.16 57.38 1p97 n GLU 34 Cb 0.42 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 30.02 1p97 n GLU 34 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1p97 h GLU 35 N 0.00 0.40 0.00 3.49 4.22 -0.41 -3.30 114.58 118.98 1p97 h GLU 35 Ca 0.00 -0.38 0.00 0.00 0.08 0.00 0.00 59.36 59.06 1p97 h GLU 35 Cb 0.43 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1p97 h GLU 35 CO 0.00 1.03 -0.65 -0.07 -2.18 0.00 0.00 179.01 177.14 1p97 h LEU 36 N -0.10 0.00 -8.32 1.64 4.07 -1.07 -3.45 115.31 108.08 1p97 h LEU 36 Ca -0.05 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.79 1p97 h LEU 36 Cb 1.18 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 1p97 h LEU 36 CO 0.10 0.01 0.29 -0.76 -1.08 0.00 0.00 178.44 176.99 1p97 s LEU 37 N -5.57 2.97 0.00 1.67 1.43 -0.70 -1.76 118.68 116.72 1p97 s LEU 37 Ca 0.02 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1p97 s LEU 37 Cb 0.08 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1p97 s LEU 37 CO 0.75 -3.52 0.00 0.61 0.23 0.00 0.00 176.35 174.41 1p97 n GLY 38 N 6.78 1.54 3.15 -3.19 0.00 0.18 -4.98 105.19 108.68 1p97 n GLY 38 Ca 0.44 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.22 2.19 -0.76 1.61 1.70 -0.72 -4.98 118.95 117.78 1p97 s ARG 39 Ca 0.00 -0.67 -0.35 0.00 -0.47 0.00 0.00 55.73 54.23 1p97 s ARG 39 Cb 0.00 -1.79 -0.20 0.00 -0.57 0.00 0.00 34.95 32.39 1p97 s ARG 39 CO 0.00 0.19 2.38 0.43 -1.08 0.00 0.00 175.30 177.22 1p97 n SER 40 N 3.37 0.47 -0.24 -2.89 7.64 -1.26 -3.78 113.62 116.93 1p97 n SER 40 Ca -0.19 0.38 0.05 0.00 1.01 0.00 0.00 58.87 60.12 1p97 n SER 40 Cb 0.53 -0.88 0.17 0.00 -1.01 0.00 0.00 64.21 63.02 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 10.34 0.90 0.00 -0.43 0.00 -1.33 -2.52 119.26 126.23 1p97 h ALA 41 Ca -0.07 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1p97 h ALA 41 Cb 1.31 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1p97 h ALA 41 CO 1.22 -0.36 0.14 0.66 0.00 0.00 0.00 179.25 180.91 1p97 n TYR 42 N -5.19 0.09 0.95 0.00 4.01 -1.26 0.58 117.16 116.34 1p97 n TYR 42 Ca 0.14 0.04 0.12 0.00 -0.16 0.00 0.00 57.90 58.04 1p97 n TYR 42 Cb 0.46 -0.44 0.55 0.00 -0.31 0.00 0.00 39.34 39.59 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 -1.49 0.15 0.00 -0.72 -0.58 -0.95 -3.82 120.64 113.23 1p97 n GLU 43 Ca -0.00 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1p97 n GLU 43 Cb 0.14 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 -1.41 0.00 -1.30 -0.32 1.16 0.61 -5.00 117.46 111.20 1p97 n PHE 44 Ca 0.08 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.25 1p97 n PHE 44 Cb 0.24 0.02 -0.06 0.00 -1.61 0.00 0.00 39.48 38.07 1p97 n PHE 44 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 1p97 n TYR 45 N 0.00 2.01 -0.71 2.97 9.36 0.20 -2.25 117.16 128.73 1p97 n TYR 45 Ca 0.00 -1.75 0.00 0.00 3.32 0.00 0.00 57.90 59.47 1p97 n TYR 45 Cb 0.14 -1.85 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 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 8.56 -1.88 -0.03 2.98 8.25 -1.23 -4.22 115.22 127.65 1p97 n HIS 46 Ca 0.49 0.98 -0.01 0.00 -0.26 0.00 0.00 57.72 58.92 1p97 n HIS 46 Cb 0.41 -2.27 -0.00 0.00 1.12 0.00 0.00 29.99 29.25 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 1.04 0.00 0.00 -1.41 0.00 -1.84 -3.30 119.26 113.75 1p97 h ALA 47 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1p97 h ALA 47 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1p97 h ALA 47 CO 0.00 0.10 -1.27 1.47 0.00 0.00 0.00 179.25 179.56 1p97 n LEU 48 N -3.43 0.53 -0.73 0.00 -0.00 -1.26 -4.06 117.00 108.04 1p97 n LEU 48 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.13 1p97 n LEU 48 Cb 0.05 -0.06 0.27 0.00 -0.00 0.00 0.00 43.42 43.69 1p97 n LEU 48 CO 0.02 0.01 0.71 -0.67 -0.00 0.00 0.00 177.39 177.46 1p97 n ASP 49 N -2.12 2.30 -0.11 1.45 2.03 -1.26 -4.38 116.55 114.46 1p97 n ASP 49 Ca 0.00 -1.74 -0.07 0.00 0.52 0.00 0.00 54.79 53.50 1p97 n ASP 49 Cb 0.48 0.03 0.01 0.00 -0.72 0.00 0.00 41.12 40.92 1p97 n ASP 49 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1p97 h SER 50 N 3.56 0.30 -0.99 1.67 0.87 -1.70 -1.92 113.55 115.34 1p97 h SER 50 Ca 0.00 0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.73 1p97 h SER 50 Cb 0.78 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.60 1p97 h SER 50 CO 0.00 0.22 0.62 -0.33 -0.53 0.00 0.00 176.83 176.81 1p97 h GLU 51 N 0.40 0.79 0.11 2.24 3.07 -1.87 0.41 114.58 119.73 1p97 h GLU 51 Ca 0.15 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1p97 h GLU 51 Cb 0.04 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 27.74 1p97 h GLU 51 CO -0.09 0.52 -0.30 -0.91 -1.40 0.00 0.00 179.01 176.83 1p97 h ASN 52 N 0.81 -0.86 1.67 1.42 -0.26 -1.64 0.19 115.58 116.91 1p97 h ASN 52 Ca 0.53 0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 56.37 1p97 h ASN 52 Cb 0.76 0.33 -0.00 0.00 -1.06 0.00 0.00 38.32 38.35 1p97 h ASN 52 CO -0.31 -0.39 -0.00 0.24 -1.06 0.00 0.00 177.43 175.91 1p97 h MET 53 N -0.51 0.00 -0.30 0.81 2.86 -1.32 -1.02 114.93 115.45 1p97 h MET 53 Ca 0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1p97 h MET 53 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1p97 h MET 53 CO -0.18 0.00 0.10 1.15 1.06 0.00 0.00 176.91 179.05 1p97 h THR 54 N 0.00 1.19 0.00 2.22 2.02 0.55 0.84 112.91 119.73 1p97 h THR 54 Ca -0.00 -0.61 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 1p97 h THR 54 Cb 0.84 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1p97 h THR 54 CO 0.00 0.21 -0.34 0.11 0.37 0.00 0.00 175.52 175.87 1p97 h LYS 55 N 0.33 0.00 -0.31 6.66 6.56 -0.45 -0.50 116.57 128.86 1p97 h LYS 55 Ca 0.10 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.63 1p97 h LYS 55 Cb 0.22 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 1p97 h LYS 55 CO -0.01 0.34 -0.04 1.03 -2.06 0.00 0.00 179.45 178.72 1p97 h SER 56 N 0.00 0.45 0.03 0.86 0.87 -0.68 0.45 113.55 115.53 1p97 h SER 56 Ca -0.00 -0.09 -0.16 0.00 -1.23 0.00 0.00 61.79 60.30 1p97 h SER 56 Cb 0.68 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1p97 h SER 56 CO 0.04 0.55 -0.55 -0.74 -0.53 0.00 0.00 176.83 175.61 1p97 h HIS 57 N 0.46 0.69 0.00 2.24 -0.00 0.29 0.40 115.15 119.23 1p97 h HIS 57 Ca 0.10 -0.25 -0.08 0.00 -0.00 0.00 0.00 60.37 60.14 1p97 h HIS 57 Cb 0.37 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 1p97 h HIS 57 CO 0.01 0.98 -0.36 1.96 -0.00 0.00 0.00 177.93 180.52 1p97 h GLN 58 N 0.42 0.00 0.00 5.26 1.08 -0.32 -1.64 115.11 119.92 1p97 h GLN 58 Ca 0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1p97 h GLN 58 Cb 1.10 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.52 1p97 h GLN 58 CO 0.10 0.36 -0.12 -0.97 -0.95 0.00 0.00 178.83 177.26 1p97 h ASN 59 N 0.00 0.00 0.39 1.46 -1.24 0.11 -3.36 115.58 112.95 1p97 h ASN 59 Ca -0.00 -0.44 -0.02 0.00 0.71 0.00 0.00 56.30 56.54 1p97 h ASN 59 Cb 0.77 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.82 1p97 h ASN 59 CO 0.05 0.79 -0.09 0.25 -1.29 0.00 0.00 177.43 177.13 1p97 h LEU 60 N -1.00 0.00 -2.62 0.34 5.85 -0.23 -2.82 115.31 114.83 1p97 h LEU 60 Ca -0.02 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1p97 h LEU 60 Cb 0.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1p97 h LEU 60 CO -0.01 0.09 0.09 0.00 -0.34 0.00 0.00 178.44 178.28 1p97 n THR 62 N -3.26 0.40 0.00 0.00 -1.04 -1.07 -4.87 114.28 104.44 1p97 n THR 62 Ca -0.02 -2.02 0.00 0.00 -2.04 0.00 0.00 64.05 59.97 1p97 n THR 62 Cb 0.17 0.93 0.00 0.00 -1.82 0.00 0.00 70.33 69.61 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 -0.57 2.42 0.00 -2.82 4.76 -1.12 -5.03 118.16 115.80 1p97 n LYS 63 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1p97 n LYS 63 Cb 0.84 -0.81 0.00 0.00 -1.84 0.00 0.00 35.03 33.22 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 1.90 3.07 3.62 0.72 0.00 -1.23 -4.94 105.19 108.32 1p97 n GLY 64 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.53 0.43 0.02 1.61 0.74 -1.26 -3.26 119.66 117.41 1p97 s GLN 65 Ca 0.00 0.28 -0.09 0.00 0.05 0.00 0.00 55.36 55.60 1p97 s GLN 65 Cb 0.00 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.32 1p97 s GLN 65 CO 0.00 -0.10 0.18 0.54 -0.55 0.00 0.00 175.29 175.36 1p97 s VAL 66 N -0.46 0.09 -0.39 1.34 0.11 0.72 -4.88 120.40 116.93 1p97 s VAL 66 Ca 0.02 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.33 1p97 s VAL 66 Cb -0.03 -0.66 0.12 0.00 -1.53 0.00 0.00 36.38 34.28 1p97 s VAL 66 CO -0.05 -0.42 0.18 -0.69 -3.33 0.00 0.00 175.10 170.80 1p97 s VAL 67 N -1.88 1.34 1.03 2.04 1.01 -1.26 0.16 120.40 122.84 1p97 s VAL 67 Ca -0.11 -2.21 -0.17 0.00 0.00 0.00 0.00 61.98 59.50 1p97 s VAL 67 Cb -0.05 -1.96 0.23 0.00 0.00 0.00 0.00 36.38 34.60 1p97 s VAL 67 CO -0.00 -0.80 1.29 -0.44 0.00 0.00 0.00 175.10 175.14 1p97 s SER 68 N 0.76 2.48 0.49 3.32 0.01 -0.05 -5.02 113.70 115.70 1p97 s SER 68 Ca 0.15 0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.72 1p97 s SER 68 Cb -0.22 -0.33 -0.01 0.00 0.21 0.00 0.00 66.02 65.67 1p97 s SER 68 CO -0.08 -3.13 0.06 -0.83 0.41 0.00 0.00 173.24 169.67 1p97 s GLY 69 N -4.71 2.95 -0.15 3.44 0.00 -1.26 -4.19 107.32 103.40 1p97 s GLY 69 Ca 0.74 -0.52 -0.35 0.00 0.00 0.00 0.00 44.72 44.59 1p97 s GLY 69 CO 0.54 -2.06 1.87 0.61 0.00 0.00 0.00 173.10 174.06 1p97 n GLN 70 N -1.17 1.90 -4.32 2.90 10.64 -1.22 -4.39 117.38 121.73 1p97 n GLN 70 Ca -0.15 0.69 -0.28 0.00 -1.83 0.00 0.00 57.00 55.43 1p97 n GLN 70 Cb 0.66 -2.53 -0.06 0.00 -0.86 0.00 0.00 30.24 27.45 1p97 n GLN 70 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 1p97 s TYR 71 N 4.17 2.11 -0.49 2.61 -0.85 0.13 -4.81 117.35 120.22 1p97 s TYR 71 Ca 0.95 -0.78 -0.13 0.00 -0.52 0.00 0.00 57.07 56.59 1p97 s TYR 71 Cb -0.78 -1.82 0.10 0.00 0.38 0.00 0.00 41.96 39.84 1p97 s TYR 71 CO 0.55 0.05 0.40 1.03 -1.52 0.00 0.00 175.55 176.06 1p97 s ARG 72 N -3.97 2.82 -0.14 -3.49 0.52 -1.26 -1.89 118.95 111.54 1p97 s ARG 72 Ca 0.27 -1.57 -0.11 0.00 -0.52 0.00 0.00 55.73 53.80 1p97 s ARG 72 Cb 0.02 -4.09 -0.05 0.00 0.52 0.00 0.00 34.95 31.36 1p97 s ARG 72 CO 0.15 -1.15 0.23 1.41 0.02 0.00 0.00 175.30 175.97 1p97 s MET 73 N 1.54 3.98 0.03 3.54 -2.45 0.16 -3.50 119.30 122.60 1p97 s MET 73 Ca 0.04 0.01 -0.30 0.00 -1.25 0.00 0.00 55.69 54.18 1p97 s MET 73 Cb -0.26 -3.33 -0.06 0.00 1.25 0.00 0.00 34.83 32.42 1p97 s MET 73 CO 0.03 0.46 1.38 -1.17 1.05 0.00 0.00 175.02 176.77 1p97 s LEU 74 N -0.17 4.33 0.00 4.11 2.96 -0.95 -1.40 118.68 127.56 1p97 s LEU 74 Ca 0.15 2.16 0.00 0.00 -0.22 0.00 0.00 54.13 56.22 1p97 s LEU 74 Cb -0.13 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1p97 s LEU 74 CO 0.04 -0.68 0.00 0.00 -1.32 0.00 0.00 176.35 174.38 1p97 n ALA 75 N 4.93 0.00 0.04 5.97 0.00 0.99 -4.85 120.51 127.59 1p97 n ALA 75 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 1p97 n ALA 75 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1p97 n ALA 75 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1p97 h LYS 76 N 0.00 0.49 -0.40 0.00 3.64 -1.32 -2.94 116.57 116.04 1p97 h LYS 76 Ca 0.00 -0.40 -0.07 0.00 -1.27 0.00 0.00 60.65 58.91 1p97 h LYS 76 Cb 0.00 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1p97 h LYS 76 CO 0.00 1.04 0.04 -2.39 -2.27 0.00 0.00 179.45 175.87 1p97 n HIS 77 N -3.86 1.37 -0.54 1.91 1.44 -1.26 -4.87 115.22 109.41 1p97 n HIS 77 Ca -0.05 -1.03 0.00 0.00 -2.01 0.00 0.00 57.72 54.63 1p97 n HIS 77 Cb 0.72 -0.43 0.00 0.00 0.12 0.00 0.00 29.99 30.40 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 -0.42 0.69 3.82 -1.39 0.00 -1.11 -5.08 105.19 101.71 1p97 n GLY 78 Ca 0.27 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.52 1.74 -0.05 -0.02 0.00 -1.26 -4.70 107.32 100.51 1p97 s GLY 79 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.48 1p97 s GLY 79 CO 0.00 -0.37 0.03 -0.19 0.00 0.00 0.00 173.10 172.57 1p97 s TYR 80 N -3.65 0.28 0.04 1.90 2.02 -0.09 -0.01 117.35 117.85 1p97 s TYR 80 Ca 0.75 0.09 0.09 0.00 -0.37 0.00 0.00 57.07 57.62 1p97 s TYR 80 Cb -0.04 -0.56 -0.03 0.00 -0.40 0.00 0.00 41.96 40.93 1p97 s TYR 80 CO 0.54 -0.22 -0.25 0.14 -1.57 0.00 0.00 175.55 174.19 1p97 s VAL 81 N 1.90 2.02 -0.29 0.71 -7.23 -0.50 0.59 120.40 117.61 1p97 s VAL 81 Ca 0.02 -1.34 -0.18 0.00 -1.81 0.00 0.00 61.98 58.68 1p97 s VAL 81 Cb -0.12 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 1p97 s VAL 81 CO -0.04 0.33 0.50 0.26 -0.31 0.00 0.00 175.10 175.84 1p97 s TRP 82 N -0.80 3.24 0.15 2.82 0.52 -0.97 -0.67 118.94 123.24 1p97 s TRP 82 Ca 0.11 0.49 0.05 0.00 0.02 0.00 0.00 56.10 56.76 1p97 s TRP 82 Cb -0.10 -2.76 -0.04 0.00 -1.15 0.00 0.00 33.47 29.42 1p97 s TRP 82 CO 0.02 -0.35 -0.11 -0.51 0.02 0.00 0.00 176.95 176.02 1p97 s LEU 83 N 2.31 2.52 0.01 2.99 1.02 -0.79 -0.25 118.68 126.49 1p97 s LEU 83 Ca 0.20 -0.99 0.06 0.00 0.02 0.00 0.00 54.13 53.42 1p97 s LEU 83 Cb -0.16 -0.42 -0.03 0.00 0.02 0.00 0.00 46.19 45.61 1p97 s LEU 83 CO 0.10 -0.29 -0.18 -0.70 0.02 0.00 0.00 176.35 175.30 1p97 s GLU 84 N -3.62 2.18 -0.24 1.70 2.12 0.57 0.17 118.70 121.58 1p97 s GLU 84 Ca 0.17 -0.91 -0.02 0.00 0.36 0.00 0.00 54.97 54.58 1p97 s GLU 84 Cb 0.01 -2.21 0.02 0.00 0.26 0.00 0.00 34.13 32.21 1p97 s GLU 84 CO 0.02 0.56 -0.07 0.99 -0.54 0.00 0.00 175.26 176.22 1p97 s THR 85 N -0.83 2.84 -0.65 -1.70 2.01 -1.26 -0.24 115.64 115.80 1p97 s THR 85 Ca 0.13 -0.98 -0.23 0.00 0.31 0.00 0.00 61.69 60.92 1p97 s THR 85 Cb -0.10 -2.41 0.07 0.00 0.01 0.00 0.00 72.50 70.06 1p97 s THR 85 CO 0.03 0.24 0.97 -1.58 -0.69 0.00 0.00 174.62 173.59 1p97 s GLN 86 N 1.33 3.13 0.09 4.92 0.74 0.44 -0.87 119.66 129.44 1p97 s GLN 86 Ca 0.01 -0.76 0.02 0.00 0.05 0.00 0.00 55.36 54.68 1p97 s GLN 86 Cb -0.16 -4.21 -0.04 0.00 1.10 0.00 0.00 33.01 29.70 1p97 s GLN 86 CO -0.05 -1.79 0.17 0.20 -0.55 0.00 0.00 175.29 173.27 1p97 s GLY 87 N 3.59 2.03 -0.18 2.59 0.00 0.12 -1.19 107.32 114.27 1p97 s GLY 87 Ca 0.23 -0.96 -0.15 0.00 0.00 0.00 0.00 44.72 43.85 1p97 s GLY 87 CO 0.11 -0.94 0.47 -1.59 0.00 0.00 0.00 173.10 171.15 1p97 s THR 88 N -1.52 -0.01 -0.31 0.90 2.01 -0.53 -0.20 115.64 115.98 1p97 s THR 88 Ca 0.33 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.24 1p97 s THR 88 Cb -0.12 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1p97 s THR 88 CO 0.26 0.01 0.18 -0.69 -0.69 0.00 0.00 174.62 173.69 1p97 s VAL 89 N 0.61 4.93 -0.55 3.82 1.01 -1.20 -0.03 120.40 128.99 1p97 s VAL 89 Ca -0.03 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 1p97 s VAL 89 Cb -0.05 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.90 1p97 s VAL 89 CO -0.04 0.09 0.96 -0.51 0.00 0.00 0.00 175.10 175.61 1p97 s ILE 90 N 1.68 4.36 0.48 2.22 2.07 -0.45 -4.79 121.20 126.77 1p97 s ILE 90 Ca 0.06 0.35 -0.13 0.00 -1.41 0.00 0.00 60.65 59.51 1p97 s ILE 90 Cb -0.17 -4.55 -0.07 0.00 0.13 0.00 0.00 42.46 37.80 1p97 s ILE 90 CO 0.08 -1.12 0.90 -0.31 -1.91 0.00 0.00 174.94 172.58 1p97 s TYR 91 N 4.02 3.48 0.40 3.50 2.02 -1.26 -0.79 117.35 128.71 1p97 s TYR 91 Ca 0.32 1.27 -0.27 0.00 -0.37 0.00 0.00 57.07 58.02 1p97 s TYR 91 Cb -0.12 -2.64 -0.10 0.00 -0.40 0.00 0.00 41.96 38.70 1p97 s TYR 91 CO 0.20 -0.30 1.42 1.21 -1.57 0.00 0.00 175.55 176.51 1p97 s ASN 92 N -3.24 6.26 0.07 2.29 3.84 1.00 -4.63 114.94 120.53 1p97 s ASN 92 Ca 0.55 2.90 -0.15 0.00 0.21 0.00 0.00 52.86 56.38 1p97 s ASN 92 Cb -0.10 -2.66 -0.21 0.00 -0.55 0.00 0.00 41.25 37.73 1p97 s ASN 92 CO 0.34 -0.92 1.21 1.55 -2.79 0.00 0.00 177.10 176.49 1p97 h PRO 93 N 2.80 0.68 0.01 0.43 0.13 -1.94 -0.84 132.00 133.27 1p97 h PRO 93 Ca -0.50 -0.67 -0.33 0.00 -0.87 0.00 0.00 66.00 63.63 1p97 h PRO 93 Cb 1.25 0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.50 1p97 h PRO 93 CO 0.63 1.27 -1.96 2.89 -0.23 0.00 0.00 178.00 180.60 1p97 n ARG 94 N -3.95 0.66 -0.01 0.86 1.85 -1.26 -4.40 116.66 110.42 1p97 n ARG 94 Ca -0.10 0.20 0.09 0.00 -1.00 0.00 0.00 57.85 57.05 1p97 n ARG 94 Cb 0.80 -1.70 -0.14 0.00 -1.05 0.00 0.00 32.46 30.38 1p97 n ARG 94 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1p97 n ASN 95 N -3.02 0.73 0.00 2.89 4.13 -1.26 -4.98 115.26 113.75 1p97 n ASN 95 Ca -0.24 -0.14 0.00 0.00 1.68 0.00 0.00 54.58 55.87 1p97 n ASN 95 Cb 1.08 1.73 0.00 0.00 -1.54 0.00 0.00 39.78 41.04 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 -2.04 0.92 -4.83 3.41 7.99 -0.32 -4.90 117.00 117.23 1p97 n LEU 96 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.67 1p97 n LEU 96 Cb 0.46 -1.65 0.06 0.00 -0.11 0.00 0.00 43.42 42.18 1p97 n LEU 96 CO 0.39 -0.59 0.72 0.00 -1.51 0.00 0.00 177.39 176.40 1p97 s GLN 97 N -1.18 2.76 -0.45 3.23 1.03 -1.26 -4.32 119.66 119.47 1p97 s GLN 97 Ca 0.00 0.77 -0.27 0.00 0.04 0.00 0.00 55.36 55.90 1p97 s GLN 97 Cb 0.00 -1.98 -0.08 0.00 0.03 0.00 0.00 33.01 30.98 1p97 s GLN 97 CO 0.00 -1.18 2.38 -0.35 -2.54 0.00 0.00 175.29 173.61 1p97 n PRO 98 N -3.15 1.18 -0.03 9.60 -0.04 -1.26 -0.00 135.00 141.30 1p97 n PRO 98 Ca 0.07 0.13 -0.13 0.00 -0.04 0.00 0.00 63.50 63.53 1p97 n PRO 98 Cb 0.55 -3.22 -0.10 0.00 -0.04 0.00 0.00 33.50 30.69 1p97 n PRO 98 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1p97 h GLN 99 N 17.71 0.03 -2.92 0.54 5.75 -1.22 -3.32 115.11 131.68 1p97 h GLN 99 Ca -0.27 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.27 1p97 h GLN 99 Cb 1.27 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.78 1p97 h GLN 99 CO 1.12 0.61 0.28 0.00 -2.65 0.00 0.00 178.83 178.19 1p97 s ILE 101 N -3.44 2.10 -0.33 0.00 -1.09 0.11 -1.33 121.20 117.22 1p97 s ILE 101 Ca 0.12 -1.00 -0.10 0.00 -2.23 0.00 0.00 60.65 57.45 1p97 s ILE 101 Cb -0.05 -1.81 0.01 0.00 -1.58 0.00 0.00 42.46 39.03 1p97 s ILE 101 CO 0.07 0.56 0.16 -0.04 -1.23 0.00 0.00 174.94 174.46 1p97 s MET 102 N 0.45 3.08 -0.20 2.79 -1.94 0.96 -0.17 119.30 124.27 1p97 s MET 102 Ca -0.16 -0.90 -0.03 0.00 -1.71 0.00 0.00 55.69 52.90 1p97 s MET 102 Cb -0.17 -3.60 -0.01 0.00 2.01 0.00 0.00 34.83 33.06 1p97 s MET 102 CO 0.06 -0.54 -0.07 0.00 -0.01 0.00 0.00 175.02 174.46 1p97 s VAL 104 N 1.25 5.19 -0.13 0.00 1.01 -0.33 -0.87 120.40 126.52 1p97 s VAL 104 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 1p97 s VAL 104 Cb -0.14 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1p97 s VAL 104 CO -0.03 -0.07 0.03 0.20 0.00 0.00 0.00 175.10 175.23 1p97 s ASN 105 N 1.73 5.43 -0.31 3.32 0.01 -0.98 -0.42 114.94 123.71 1p97 s ASN 105 Ca 0.11 0.13 0.03 0.00 -0.71 0.00 0.00 52.86 52.41 1p97 s ASN 105 Cb -0.17 -1.73 0.09 0.00 0.41 0.00 0.00 41.25 39.85 1p97 s ASN 105 CO 0.11 0.29 0.02 -0.31 -1.51 0.00 0.00 177.10 175.71 1p97 s TYR 106 N -0.36 3.24 -0.27 2.20 2.02 0.66 -2.19 117.35 122.65 1p97 s TYR 106 Ca 0.08 -2.58 -0.29 0.00 -0.37 0.00 0.00 57.07 53.91 1p97 s TYR 106 Cb -0.12 -2.45 -0.02 0.00 -0.40 0.00 0.00 41.96 38.97 1p97 s TYR 106 CO 0.02 -0.91 1.67 0.08 -1.57 0.00 0.00 175.55 174.84 1p97 s VAL 107 N 1.09 3.63 0.00 0.71 1.01 0.62 -0.31 120.40 127.14 1p97 s VAL 107 Ca 0.06 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1p97 s VAL 107 Cb -0.19 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1p97 s VAL 107 CO -0.10 -0.37 0.00 0.18 0.00 0.00 0.00 175.10 174.81 1p97 n LEU 108 N 9.14 0.00 -4.90 3.92 4.77 0.65 -4.33 117.00 126.26 1p97 n LEU 108 Ca 0.20 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.87 1p97 n LEU 108 Cb 0.46 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1p97 n LEU 108 CO 0.67 -0.39 0.08 -0.44 -1.33 0.00 0.00 177.39 175.98 1p97 s SER 109 N -3.39 6.51 0.18 -1.43 0.01 -1.02 -4.98 113.70 109.58 1p97 s SER 109 Ca 0.00 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1p97 s SER 109 Cb 0.00 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1p97 s SER 109 CO 0.00 -0.00 0.00 -0.62 0.41 0.00 0.00 173.24 173.03 1p97 n GLU 110 N -0.10 1.05 -1.98 12.44 1.02 -1.26 -2.29 120.64 129.51 1p97 n GLU 110 Ca -0.02 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.69 1p97 n GLU 110 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.92 1p97 n GLU 110 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1p97 s ILE 111 N 0.08 3.49 0.00 -3.67 1.01 -1.26 -4.24 121.20 116.61 1p97 s ILE 111 Ca 0.00 0.54 0.02 0.00 0.00 0.00 0.00 60.65 61.22 1p97 s ILE 111 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1p97 s ILE 111 CO 0.00 -0.26 -0.04 -0.70 0.00 0.00 0.00 174.94 173.95 1p97 s GLU 112 N 5.10 2.66 -0.42 2.79 2.12 0.20 -4.96 118.70 126.18 1p97 s GLU 112 Ca 0.79 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 55.46 1p97 s GLU 112 Cb -0.27 -2.58 0.14 0.00 0.26 0.00 0.00 34.13 31.68 1p97 s GLU 112 CO 0.32 0.61 0.25 0.15 -0.54 0.00 0.00 175.26 176.05 1p97 s LYS 113 N -1.49 1.12 0.00 4.30 1.02 -1.26 -0.91 119.74 122.52 1p97 s LYS 113 Ca 0.18 -1.89 0.00 0.00 0.02 0.00 0.00 55.97 54.28 1p97 s LYS 113 Cb -0.11 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1p97 s LYS 113 CO 0.09 -1.19 0.00 -1.71 -0.92 0.00 0.00 175.35 171.62