#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 -0.02 -0.60 4.61 0.00 -1.26 -5.11 121.76 119.39 1p97 s ALA 2 Ca 0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 1p97 s ALA 2 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 23.12 23.22 1p97 s ALA 2 CO 0.00 -0.03 0.72 -1.64 0.00 0.00 0.00 175.76 174.81 1p97 s MET 3 N -0.24 3.05 0.21 0.00 1.00 -1.26 -4.86 119.30 117.20 1p97 s MET 3 Ca -0.03 -1.28 -0.04 0.00 0.00 0.00 0.00 55.69 54.34 1p97 s MET 3 Cb -0.02 -4.26 0.18 0.00 0.00 0.00 0.00 34.83 30.73 1p97 s MET 3 CO -0.00 -1.56 1.61 -0.44 0.00 0.00 0.00 175.02 174.63 1p97 h ASP 4 N 9.21 0.77 -4.68 3.03 3.32 -1.99 -3.44 116.42 122.65 1p97 h ASP 4 Ca -0.29 -0.29 -0.21 0.00 0.02 0.00 0.00 57.03 56.25 1p97 h ASP 4 Cb 1.09 -0.21 -0.23 0.00 0.22 0.00 0.00 39.33 40.20 1p97 h ASP 4 CO 1.11 1.00 -0.71 -0.94 -1.72 0.00 0.00 179.24 177.97 1p97 s SER 5 N -6.77 0.38 -0.21 6.45 1.04 -1.26 -4.84 113.70 108.49 1p97 s SER 5 Ca -0.09 -0.41 -0.18 0.00 0.48 0.00 0.00 55.95 55.74 1p97 s SER 5 Cb 0.13 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1p97 s SER 5 CO 0.84 -0.21 0.52 -0.54 0.98 0.00 0.00 173.24 174.83 1p97 s LYS 6 N -1.19 4.18 -0.18 4.02 -0.14 -0.32 -4.84 119.74 121.26 1p97 s LYS 6 Ca -0.11 0.41 -0.01 0.00 -1.36 0.00 0.00 55.97 54.89 1p97 s LYS 6 Cb -0.08 -3.57 -0.01 0.00 -1.68 0.00 0.00 37.83 32.49 1p97 s LYS 6 CO -0.00 -0.17 -0.11 0.99 -0.76 0.00 0.00 175.35 175.30 1p97 s THR 7 N 1.71 2.99 -0.05 2.17 2.01 -1.26 -0.14 115.64 123.08 1p97 s THR 7 Ca 0.24 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.62 1p97 s THR 7 Cb -0.15 -2.30 0.00 0.00 0.01 0.00 0.00 72.50 70.06 1p97 s THR 7 CO 0.09 0.49 -0.14 0.72 -0.69 0.00 0.00 174.62 175.09 1p97 s PHE 8 N 0.99 1.52 0.36 4.92 -0.71 -0.88 -4.97 117.98 119.21 1p97 s PHE 8 Ca -0.01 -0.49 -0.26 0.00 -1.04 0.00 0.00 56.93 55.13 1p97 s PHE 8 Cb -0.15 -1.06 -0.09 0.00 -1.21 0.00 0.00 43.02 40.51 1p97 s PHE 8 CO -0.01 -0.21 1.09 -1.17 -1.34 0.00 0.00 175.22 173.58 1p97 s LEU 9 N 0.33 4.29 0.09 -1.99 1.98 -1.26 -2.35 118.68 119.76 1p97 s LEU 9 Ca -0.09 2.18 -0.06 0.00 -2.89 0.00 0.00 54.13 53.27 1p97 s LEU 9 Cb -0.13 -3.96 -0.02 0.00 0.66 0.00 0.00 46.19 42.74 1p97 s LEU 9 CO 0.03 -0.41 0.12 -0.55 -1.89 0.00 0.00 176.35 173.65 1p97 s SER 10 N -1.25 0.24 0.01 3.68 0.15 0.13 -0.99 113.70 115.67 1p97 s SER 10 Ca 0.53 -0.83 0.02 0.00 0.70 0.00 0.00 55.95 56.38 1p97 s SER 10 Cb -0.27 0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.33 1p97 s SER 10 CO 0.34 -0.71 -0.07 -0.13 1.20 0.00 0.00 173.24 173.88 1p97 s ARG 11 N -3.91 0.50 0.24 5.44 1.81 -0.21 -1.63 118.95 121.20 1p97 s ARG 11 Ca 0.08 -0.36 0.07 0.00 -1.72 0.00 0.00 55.73 53.81 1p97 s ARG 11 Cb 0.06 -0.44 -0.05 0.00 -0.45 0.00 0.00 34.95 34.07 1p97 s ARG 11 CO -0.09 0.11 -0.10 -1.01 -0.68 0.00 0.00 175.30 173.53 1p97 s HIS 12 N -0.45 1.84 -0.19 -0.53 3.76 0.09 -0.22 115.29 119.61 1p97 s HIS 12 Ca -0.01 -0.63 -0.01 0.00 -0.15 0.00 0.00 55.06 54.27 1p97 s HIS 12 Cb -0.04 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.70 1p97 s HIS 12 CO -0.00 0.33 -0.13 0.45 -0.85 0.00 0.00 174.74 174.54 1p97 s SER 13 N -3.38 3.69 0.00 1.40 0.15 -1.26 0.20 113.70 114.49 1p97 s SER 13 Ca 0.26 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1p97 s SER 13 Cb 0.01 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 1p97 s SER 13 CO 0.10 0.02 0.00 0.23 1.20 0.00 0.00 173.24 174.78 1p97 n MET 14 N 4.52 0.00 0.14 5.44 2.81 -1.26 -0.78 117.12 127.99 1p97 n MET 14 Ca -0.19 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.81 1p97 n MET 14 Cb 0.51 0.00 0.52 0.00 -0.71 0.00 0.00 33.22 33.54 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 0.00 0.61 -1.35 7.83 5.68 -1.26 -4.88 116.55 123.19 1p97 n ASP 15 Ca 0.00 0.70 -0.07 0.00 -0.50 0.00 0.00 54.79 54.92 1p97 n ASP 15 Cb 0.00 -0.81 0.02 0.00 -1.14 0.00 0.00 41.12 39.19 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 -2.24 -2.18 0.26 0.11 0.00 0.04 -4.98 117.12 108.13 1p97 n MET 16 Ca 0.01 0.26 -0.11 0.00 -0.00 0.00 0.00 57.70 57.85 1p97 n MET 16 Cb 0.15 -3.61 -0.06 0.00 0.00 0.00 0.00 33.22 29.70 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 -0.72 -0.69 0.00 2.12 2.10 -1.82 -3.39 116.57 114.18 1p97 h LYS 17 Ca -0.17 0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1p97 h LYS 17 Cb 1.11 0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1p97 h LYS 17 CO 0.17 -0.44 0.00 1.19 -2.00 0.00 0.00 179.45 178.37 1p97 n PHE 18 N -5.25 0.00 0.20 0.07 3.72 -1.25 -2.29 117.46 112.66 1p97 n PHE 18 Ca -0.09 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.34 1p97 n PHE 18 Cb 0.29 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.79 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 -3.72 4.37 -2.24 0.70 0.00 114.28 113.38 1p97 n THR 19 Ca 0.00 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 1p97 n THR 19 Cb 0.00 0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.85 -0.49 -0.04 4.78 5.04 -0.73 -4.85 117.35 119.21 1p97 s TYR 20 Ca 0.01 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 1p97 s TYR 20 Cb 0.05 0.17 0.03 0.00 0.35 0.00 0.00 41.96 42.55 1p97 s TYR 20 CO 0.26 -0.24 -0.01 0.00 -1.34 0.00 0.00 175.55 174.22 1p97 s ASP 22 N 1.14 5.21 0.53 0.00 2.15 -0.16 -4.62 116.67 120.92 1p97 s ASP 22 Ca -0.08 2.12 0.21 0.00 0.43 0.00 0.00 52.55 55.24 1p97 s ASP 22 Cb -0.14 -2.57 1.44 0.00 -0.30 0.00 0.00 42.92 41.36 1p97 s ASP 22 CO -0.02 -1.57 2.16 0.44 -0.17 0.00 0.00 175.17 176.02 1p97 h ASP 23 N 0.42 0.00 -0.00 -0.34 3.32 -1.99 -1.39 116.42 116.44 1p97 h ASP 23 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 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 0.55 0.04 0.01 0.03 -1.72 0.00 0.00 179.24 178.14 1p97 h ARG 24 N 0.00 0.00 0.00 3.56 3.08 -1.93 -2.32 114.38 116.76 1p97 h ARG 24 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1p97 h ARG 24 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1p97 h ARG 24 CO 0.00 0.00 -0.02 0.97 -1.07 0.00 0.00 179.97 179.85 1p97 h ILE 25 N 0.00 0.89 -0.84 2.04 2.10 -1.55 0.16 117.51 120.31 1p97 h ILE 25 Ca 0.00 -0.08 0.14 0.00 1.08 0.00 0.00 64.86 66.01 1p97 h ILE 25 Cb 0.02 1.04 -0.06 0.00 -1.09 0.00 0.00 36.82 36.74 1p97 h ILE 25 CO -0.00 0.02 0.55 0.71 -1.08 0.00 0.00 178.15 178.35 1p97 h THR 26 N 0.00 0.82 0.00 2.19 1.35 -1.16 0.29 112.91 116.40 1p97 h THR 26 Ca -0.00 -0.20 -0.21 0.00 -0.55 0.00 0.00 66.41 65.45 1p97 h THR 26 Cb 0.04 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 66.61 1p97 h THR 26 CO 0.00 0.11 -1.05 -0.33 -0.25 0.00 0.00 175.52 174.00 1p97 h GLU 27 N 0.59 0.00 0.00 4.72 5.08 -0.91 -3.21 114.58 120.85 1p97 h GLU 27 Ca 0.42 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 1p97 h GLU 27 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1p97 h GLU 27 CO -0.17 0.88 -0.84 1.28 -1.00 0.00 0.00 179.01 179.16 1p97 n LEU 28 N -3.29 1.87 -0.38 1.33 4.77 -0.34 -4.56 117.00 116.40 1p97 n LEU 28 Ca -0.02 0.50 0.09 0.00 -0.03 0.00 0.00 56.01 56.55 1p97 n LEU 28 Cb 0.93 -0.83 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1p97 n LEU 28 CO 0.46 -0.30 0.25 -0.38 -1.33 0.00 0.00 177.39 176.09 1p97 n ILE 29 N -4.53 0.00 0.00 -0.08 5.41 0.87 -4.95 119.36 116.09 1p97 n ILE 29 Ca -0.14 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1p97 n ILE 29 Cb 0.42 1.20 0.00 0.00 -0.71 0.00 0.00 39.64 40.54 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 1.27 2.93 3.78 7.39 0.00 -0.55 -1.18 105.19 118.83 1p97 n GLY 30 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.96 2.32 0.07 1.61 2.02 -1.26 -4.76 117.35 116.40 1p97 s TYR 31 Ca 0.00 0.80 0.02 0.00 -0.37 0.00 0.00 57.07 57.52 1p97 s TYR 31 Cb 0.00 -3.44 -0.04 0.00 -0.40 0.00 0.00 41.96 38.08 1p97 s TYR 31 CO 0.00 -2.49 0.10 -1.58 -1.57 0.00 0.00 175.55 170.01 1p97 s HIS 32 N -3.30 3.25 0.25 2.71 2.46 -1.26 -2.62 115.29 116.77 1p97 s HIS 32 Ca 0.65 0.11 -0.11 0.00 0.47 0.00 0.00 55.06 56.18 1p97 s HIS 32 Cb -0.14 -1.65 0.35 0.00 -0.13 0.00 0.00 32.58 31.01 1p97 s HIS 32 CO 0.53 0.53 1.59 -1.35 -2.47 0.00 0.00 174.74 173.58 1p97 h PRO 33 N 3.30 -0.01 0.00 2.88 0.11 -1.84 0.37 132.00 136.81 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 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1p97 h PRO 33 CO 0.67 -0.01 0.00 0.93 -0.21 0.00 0.00 178.00 179.39 1p97 h GLU 34 N -0.01 0.00 0.10 1.05 4.39 -1.95 -1.46 114.58 116.71 1p97 h GLU 34 Ca 0.39 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.80 1p97 h GLU 34 Cb 0.61 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.29 1p97 h GLU 34 CO -0.86 0.00 -1.21 0.93 -1.16 0.00 0.00 179.01 176.71 1p97 h GLU 35 N 0.00 0.60 0.00 2.33 4.39 -0.67 -3.29 114.58 117.94 1p97 h GLU 35 Ca 0.00 -0.78 -0.09 0.00 0.34 0.00 0.00 59.36 58.83 1p97 h GLU 35 Cb 0.30 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1p97 h GLU 35 CO 0.00 1.35 -0.95 -0.07 -1.16 0.00 0.00 179.01 178.18 1p97 h LEU 36 N 0.28 0.00 -8.30 1.33 4.07 -0.86 -3.44 115.31 108.38 1p97 h LEU 36 Ca -0.17 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 1p97 h LEU 36 Cb 1.88 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.61 1p97 h LEU 36 CO 0.23 0.34 0.06 0.18 -1.08 0.00 0.00 178.44 178.17 1p97 n LEU 37 N -2.93 1.67 0.00 1.67 4.77 -0.61 -1.67 117.00 119.91 1p97 n LEU 37 Ca -0.03 -1.58 0.00 0.00 -0.03 0.00 0.00 56.01 54.38 1p97 n LEU 37 Cb 0.70 -1.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1p97 n LEU 37 CO 0.41 -2.72 0.00 0.61 -1.33 0.00 0.00 177.39 174.35 1p97 n GLY 38 N 6.71 1.55 3.01 -0.72 0.00 0.10 -4.99 105.19 110.85 1p97 n GLY 38 Ca 0.47 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.40 1.68 -0.88 1.61 1.70 -0.67 -5.01 118.95 116.98 1p97 s ARG 39 Ca 0.00 -0.39 -0.32 0.00 -0.47 0.00 0.00 55.73 54.55 1p97 s ARG 39 Cb 0.00 -1.43 -0.21 0.00 -0.57 0.00 0.00 34.95 32.74 1p97 s ARG 39 CO 0.00 -0.01 2.50 0.43 -1.08 0.00 0.00 175.30 177.14 1p97 n SER 40 N 3.96 0.36 -0.26 -2.89 7.64 -1.26 -3.82 113.62 117.35 1p97 n SER 40 Ca -0.22 0.26 0.06 0.00 1.01 0.00 0.00 58.87 59.98 1p97 n SER 40 Cb 0.51 -0.88 0.20 0.00 -1.01 0.00 0.00 64.21 63.03 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 11.04 1.11 0.00 -0.43 0.00 -1.65 -2.77 119.26 126.56 1p97 h ALA 41 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1p97 h ALA 41 Cb 1.28 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1p97 h ALA 41 CO 1.29 -0.21 0.09 0.66 0.00 0.00 0.00 179.25 181.08 1p97 n TYR 42 N -5.00 0.11 0.87 0.00 4.01 -1.26 0.49 117.16 116.39 1p97 n TYR 42 Ca 0.15 0.06 0.11 0.00 -0.16 0.00 0.00 57.90 58.06 1p97 n TYR 42 Cb 0.43 -0.51 0.51 0.00 -0.31 0.00 0.00 39.34 39.46 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 -1.56 0.09 0.00 -0.72 1.02 -1.04 -3.97 120.64 114.46 1p97 n GLU 43 Ca -0.00 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1p97 n GLU 43 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1p97 n GLU 43 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1p97 n PHE 44 N -1.44 0.00 -1.13 -0.32 -1.74 0.63 -5.02 117.46 108.44 1p97 n PHE 44 Ca 0.07 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.55 1p97 n PHE 44 Cb 0.25 0.03 -0.07 0.00 1.52 0.00 0.00 39.48 41.20 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 1.57 -1.82 2.97 9.36 0.18 -2.94 117.16 126.48 1p97 n TYR 45 Ca 0.00 -1.47 -0.01 0.00 3.32 0.00 0.00 57.90 59.74 1p97 n TYR 45 Cb 0.19 -1.64 -0.01 0.00 -0.63 0.00 0.00 39.34 37.26 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 8.82 -2.40 0.40 2.98 8.25 -1.24 -3.95 115.22 128.08 1p97 n HIS 46 Ca 0.48 1.42 -0.16 0.00 -0.26 0.00 0.00 57.72 59.21 1p97 n HIS 46 Cb 0.42 -2.87 -0.07 0.00 1.12 0.00 0.00 29.99 28.58 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 2.14 -1.27 0.00 -1.41 0.00 -1.79 -0.22 119.26 116.71 1p97 h ALA 47 Ca -0.11 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1p97 h ALA 47 Cb 0.24 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1p97 h ALA 47 CO 0.00 -1.20 -1.13 1.47 0.00 0.00 0.00 179.25 178.39 1p97 n LEU 48 N -4.74 0.59 -1.21 0.00 -0.00 -1.26 -4.00 117.00 106.39 1p97 n LEU 48 Ca -0.13 0.09 0.11 0.00 -0.00 0.00 0.00 56.01 56.08 1p97 n LEU 48 Cb 0.40 -0.08 0.29 0.00 -0.00 0.00 0.00 43.42 44.03 1p97 n LEU 48 CO 0.30 -0.03 0.75 0.47 -0.00 0.00 0.00 177.39 178.88 1p97 n ASP 49 N -2.21 3.51 0.05 1.45 8.00 -1.23 -4.29 116.55 121.84 1p97 n ASP 49 Ca 0.01 -1.99 -0.13 0.00 0.71 0.00 0.00 54.79 53.39 1p97 n ASP 49 Cb 0.49 -0.42 -0.08 0.00 -0.02 0.00 0.00 41.12 41.09 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 3.92 -0.08 -0.97 -2.24 0.87 -1.15 -1.81 113.55 112.09 1p97 h SER 50 Ca 0.00 -0.17 0.07 0.00 -1.23 0.00 0.00 61.79 60.46 1p97 h SER 50 Cb 0.89 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.81 1p97 h SER 50 CO 0.00 0.12 0.62 -0.33 -0.53 0.00 0.00 176.83 176.72 1p97 h GLU 51 N -0.28 1.06 0.20 2.24 5.08 -1.84 0.72 114.58 121.75 1p97 h GLU 51 Ca -0.01 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1p97 h GLU 51 Cb 0.25 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1p97 h GLU 51 CO 0.02 0.70 -0.37 -0.97 -1.00 0.00 0.00 179.01 177.38 1p97 h ASN 52 N 1.09 -1.06 0.66 1.42 -0.73 -1.78 -1.41 115.58 113.77 1p97 h ASN 52 Ca 0.43 0.11 -0.05 0.00 1.87 0.00 0.00 56.30 58.66 1p97 h ASN 52 Cb 0.23 0.39 -0.01 0.00 0.27 0.00 0.00 38.32 39.20 1p97 h ASN 52 CO -0.17 -0.47 -0.24 -0.03 -0.37 0.00 0.00 177.43 176.15 1p97 h MET 53 N -0.65 0.00 -0.90 6.67 4.05 -0.39 -1.79 114.93 121.92 1p97 h MET 53 Ca 0.01 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1p97 h MET 53 Cb 0.65 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.40 1p97 h MET 53 CO -0.17 0.24 0.59 1.15 0.23 0.00 0.00 176.91 178.95 1p97 h THR 54 N 0.00 1.22 -0.20 -0.77 2.02 0.10 0.42 112.91 115.70 1p97 h THR 54 Ca -0.00 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.65 1p97 h THR 54 Cb 0.63 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1p97 h THR 54 CO 0.03 0.22 -0.37 0.11 0.37 0.00 0.00 175.52 175.89 1p97 h LYS 55 N 1.21 0.44 -0.39 6.66 6.56 -0.43 0.21 116.57 130.82 1p97 h LYS 55 Ca 0.33 -0.20 -0.04 0.00 -1.06 0.00 0.00 60.65 59.68 1p97 h LYS 55 Cb -0.12 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 1p97 h LYS 55 CO -0.08 0.74 0.09 0.77 -2.06 0.00 0.00 179.45 178.92 1p97 h SER 56 N 0.37 0.59 -0.79 0.86 0.02 -0.84 0.37 113.55 114.12 1p97 h SER 56 Ca 0.04 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1p97 h SER 56 Cb 0.81 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1p97 h SER 56 CO 0.07 0.67 0.44 -0.74 -1.14 0.00 0.00 176.83 176.12 1p97 h HIS 57 N 0.49 1.09 0.00 3.45 -0.00 0.20 0.39 115.15 120.77 1p97 h HIS 57 Ca 0.12 -0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.37 1p97 h HIS 57 Cb 0.31 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1p97 h HIS 57 CO 0.02 0.76 -0.47 0.37 -0.00 0.00 0.00 177.93 178.61 1p97 h GLN 58 N 1.10 0.00 0.05 5.26 4.15 -0.36 -3.13 115.11 122.18 1p97 h GLN 58 Ca 0.28 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.57 1p97 h GLN 58 Cb 0.03 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 1p97 h GLN 58 CO -0.05 0.47 -0.66 -0.97 -1.93 0.00 0.00 178.83 175.70 1p97 h ASN 59 N 0.00 0.17 -0.82 -0.69 -1.24 0.36 -3.35 115.58 110.00 1p97 h ASN 59 Ca -0.00 -0.87 0.13 0.00 0.71 0.00 0.00 56.30 56.26 1p97 h ASN 59 Cb 0.87 -0.05 -0.06 0.00 0.73 0.00 0.00 38.32 39.80 1p97 h ASN 59 CO 0.06 1.29 0.54 0.25 -1.29 0.00 0.00 177.43 178.27 1p97 h LEU 60 N -0.75 0.59 0.52 0.34 5.85 -0.29 -2.38 115.31 119.19 1p97 h LEU 60 Ca -0.15 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1p97 h LEU 60 Cb 1.33 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1p97 h LEU 60 CO 0.00 0.32 -0.47 0.00 -0.34 0.00 0.00 178.44 177.96 1p97 n THR 62 N -5.55 0.03 -0.04 0.00 -1.04 -1.12 -3.75 114.28 102.81 1p97 n THR 62 Ca -0.12 -0.11 -0.02 0.00 -2.04 0.00 0.00 64.05 61.76 1p97 n THR 62 Cb 0.45 -0.07 -0.09 0.00 -1.82 0.00 0.00 70.33 68.79 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 -0.46 1.59 0.00 -2.82 4.76 -0.91 -4.99 118.16 115.32 1p97 n LYS 63 Ca 0.19 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1p97 n LYS 63 Cb 0.19 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 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 2.14 2.86 3.61 0.72 0.00 0.10 -4.91 105.19 109.71 1p97 n GLY 64 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.06 0.59 0.05 1.61 0.74 -1.25 -1.02 119.66 120.30 1p97 s GLN 65 Ca 0.00 0.49 -0.18 0.00 0.05 0.00 0.00 55.36 55.71 1p97 s GLN 65 Cb 0.00 0.28 0.04 0.00 1.10 0.00 0.00 33.01 34.43 1p97 s GLN 65 CO 0.00 -0.11 0.42 0.54 -0.55 0.00 0.00 175.29 175.59 1p97 s VAL 66 N -0.20 0.05 -0.35 1.34 0.11 0.37 -4.76 120.40 116.96 1p97 s VAL 66 Ca 0.01 -0.45 -0.00 0.00 -2.93 0.00 0.00 61.98 58.61 1p97 s VAL 66 Cb -0.03 -0.96 0.12 0.00 -1.53 0.00 0.00 36.38 33.97 1p97 s VAL 66 CO -0.03 -0.25 0.15 -0.69 -3.33 0.00 0.00 175.10 170.96 1p97 s VAL 67 N -2.54 0.84 0.90 2.04 1.01 -1.26 0.76 120.40 122.14 1p97 s VAL 67 Ca -0.05 -1.70 -0.12 0.00 0.00 0.00 0.00 61.98 60.11 1p97 s VAL 67 Cb -0.01 -1.62 0.13 0.00 0.00 0.00 0.00 36.38 34.88 1p97 s VAL 67 CO -0.03 -0.78 1.14 -0.94 0.00 0.00 0.00 175.10 174.49 1p97 s SER 68 N 1.24 3.64 0.22 3.32 1.04 -0.24 -4.98 113.70 117.94 1p97 s SER 68 Ca 0.13 0.96 0.01 0.00 0.48 0.00 0.00 55.95 57.53 1p97 s SER 68 Cb -0.20 -1.54 0.01 0.00 0.10 0.00 0.00 66.02 64.39 1p97 s SER 68 CO -0.16 -2.47 0.08 0.61 0.98 0.00 0.00 173.24 172.28 1p97 n GLY 69 N -2.30 3.45 3.54 7.32 0.00 -1.26 -3.75 105.19 112.19 1p97 n GLY 69 Ca 0.07 -2.25 -0.51 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.76 1.38 -4.68 1.61 6.02 -1.20 -4.16 117.38 115.59 1p97 n GLN 70 Ca -0.05 0.43 -0.30 0.00 -0.01 0.00 0.00 57.00 57.07 1p97 n GLN 70 Cb 0.26 -2.50 -0.09 0.00 1.02 0.00 0.00 30.24 28.93 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 6.20 2.07 -0.34 1.08 -0.85 0.51 -4.81 117.35 121.21 1p97 s TYR 71 Ca 1.04 -0.89 -0.13 0.00 -0.52 0.00 0.00 57.07 56.56 1p97 s TYR 71 Cb -0.82 -1.60 -0.02 0.00 0.38 0.00 0.00 41.96 39.90 1p97 s TYR 71 CO 0.51 0.24 0.27 1.03 -1.52 0.00 0.00 175.55 176.08 1p97 s ARG 72 N -3.81 3.50 -0.13 -3.49 0.52 -1.26 -1.28 118.95 113.00 1p97 s ARG 72 Ca 0.19 -0.60 -0.06 0.00 -0.52 0.00 0.00 55.73 54.74 1p97 s ARG 72 Cb 0.05 -3.81 -0.04 0.00 0.52 0.00 0.00 34.95 31.67 1p97 s ARG 72 CO 0.10 -0.47 0.09 1.41 0.02 0.00 0.00 175.30 176.44 1p97 s MET 73 N 1.79 3.48 -0.03 3.54 1.75 0.73 -3.60 119.30 126.97 1p97 s MET 73 Ca 0.07 -0.25 -0.30 0.00 -1.25 0.00 0.00 55.69 53.96 1p97 s MET 73 Cb -0.17 -3.10 -0.05 0.00 2.84 0.00 0.00 34.83 34.35 1p97 s MET 73 CO 0.11 0.62 1.33 -1.17 -0.65 0.00 0.00 175.02 175.26 1p97 s LEU 74 N -0.61 4.30 0.00 4.11 2.96 -1.15 -1.19 118.68 127.10 1p97 s LEU 74 Ca 0.12 2.00 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 1p97 s LEU 74 Cb -0.12 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1p97 s LEU 74 CO 0.02 -0.68 0.00 0.00 -1.32 0.00 0.00 176.35 174.38 1p97 n ALA 75 N 5.38 0.00 0.16 5.97 0.00 0.63 -4.88 120.51 127.77 1p97 n ALA 75 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.63 1p97 n ALA 75 Cb 0.45 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 -0.10 0.00 3.64 -1.47 -3.23 116.57 115.42 1p97 h LYS 76 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1p97 h LYS 76 Cb 0.00 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1p97 h LYS 76 CO 0.00 0.26 -0.55 -2.39 -2.27 0.00 0.00 179.45 174.50 1p97 n HIS 77 N -3.13 0.36 -1.36 1.91 1.44 -1.26 -4.90 115.22 108.28 1p97 n HIS 77 Ca 0.02 -1.58 -0.09 0.00 -2.01 0.00 0.00 57.72 54.06 1p97 n HIS 77 Cb 0.65 -0.26 -0.03 0.00 0.12 0.00 0.00 29.99 30.46 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 -1.04 0.93 3.92 -1.39 0.00 -1.22 -5.02 105.19 101.37 1p97 n GLY 78 Ca 0.22 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.87 1.71 -0.08 -0.02 0.00 -1.26 -4.76 107.32 100.04 1p97 s GLY 79 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 1p97 s GLY 79 CO 0.00 -0.32 0.04 -0.19 0.00 0.00 0.00 173.10 172.62 1p97 s TYR 80 N -3.77 0.40 0.03 1.90 2.02 -0.81 -0.27 117.35 116.86 1p97 s TYR 80 Ca 0.69 -0.06 0.05 0.00 -0.37 0.00 0.00 57.07 57.38 1p97 s TYR 80 Cb -0.07 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.78 1p97 s TYR 80 CO 0.51 -0.31 -0.11 0.14 -1.57 0.00 0.00 175.55 174.21 1p97 s VAL 81 N 2.06 3.32 -0.24 0.71 -7.23 -0.33 0.11 120.40 118.80 1p97 s VAL 81 Ca 0.04 -0.97 -0.19 0.00 -1.81 0.00 0.00 61.98 59.05 1p97 s VAL 81 Cb -0.13 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 1p97 s VAL 81 CO -0.05 0.35 0.58 0.26 -0.31 0.00 0.00 175.10 175.93 1p97 s TRP 82 N -0.99 3.31 0.07 2.82 0.52 -1.24 -0.19 118.94 123.23 1p97 s TRP 82 Ca 0.17 0.78 0.05 0.00 0.02 0.00 0.00 56.10 57.12 1p97 s TRP 82 Cb -0.11 -2.78 -0.03 0.00 -1.15 0.00 0.00 33.47 29.41 1p97 s TRP 82 CO 0.07 -0.25 -0.14 -0.51 0.02 0.00 0.00 176.95 176.15 1p97 s LEU 83 N 2.22 2.27 -0.06 2.99 1.02 -0.41 -1.32 118.68 125.39 1p97 s LEU 83 Ca 0.25 -0.60 0.02 0.00 0.02 0.00 0.00 54.13 53.82 1p97 s LEU 83 Cb -0.16 -0.49 -0.03 0.00 0.02 0.00 0.00 46.19 45.54 1p97 s LEU 83 CO 0.09 -0.08 -0.10 -1.61 0.02 0.00 0.00 176.35 174.67 1p97 s GLU 84 N -1.68 2.64 -0.16 1.70 2.02 -0.71 -0.36 118.70 122.14 1p97 s GLU 84 Ca -0.02 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.36 1p97 s GLU 84 Cb -0.10 -2.49 0.02 0.00 0.10 0.00 0.00 34.13 31.66 1p97 s GLU 84 CO 0.02 0.65 -0.16 0.99 0.02 0.00 0.00 175.26 176.77 1p97 s THR 85 N -0.78 1.78 -0.42 3.63 2.01 -1.25 -0.18 115.64 120.43 1p97 s THR 85 Ca 0.12 -0.77 -0.27 0.00 0.31 0.00 0.00 61.69 61.08 1p97 s THR 85 Cb -0.11 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.79 1p97 s THR 85 CO 0.01 0.49 1.01 -1.58 -0.69 0.00 0.00 174.62 173.86 1p97 s GLN 86 N 1.40 3.75 0.10 4.92 0.74 0.56 -1.08 119.66 130.06 1p97 s GLN 86 Ca 0.05 0.53 0.03 0.00 0.05 0.00 0.00 55.36 56.02 1p97 s GLN 86 Cb -0.13 -3.86 -0.04 0.00 1.10 0.00 0.00 33.01 30.08 1p97 s GLN 86 CO -0.12 -1.15 0.12 0.20 -0.55 0.00 0.00 175.29 173.80 1p97 s GLY 87 N 2.13 1.95 -0.18 2.59 0.00 0.23 -1.09 107.32 112.95 1p97 s GLY 87 Ca 0.42 -1.04 -0.16 0.00 0.00 0.00 0.00 44.72 43.94 1p97 s GLY 87 CO 0.24 -1.03 0.48 -1.59 0.00 0.00 0.00 173.10 171.20 1p97 s THR 88 N -1.52 -0.00 -0.32 0.90 2.01 -0.48 -0.48 115.64 115.75 1p97 s THR 88 Ca 0.31 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.20 1p97 s THR 88 Cb -0.12 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 1p97 s THR 88 CO 0.24 0.00 0.19 -0.69 -0.69 0.00 0.00 174.62 173.67 1p97 s VAL 89 N 0.36 4.94 -0.52 3.82 1.01 -0.19 -0.00 120.40 129.82 1p97 s VAL 89 Ca -0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 1p97 s VAL 89 Cb -0.04 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1p97 s VAL 89 CO -0.01 0.03 0.81 -0.51 0.00 0.00 0.00 175.10 175.43 1p97 s ILE 90 N 1.67 4.59 0.49 2.22 2.07 -0.54 -4.86 121.20 126.83 1p97 s ILE 90 Ca 0.05 0.06 -0.14 0.00 -1.41 0.00 0.00 60.65 59.21 1p97 s ILE 90 Cb -0.17 -4.42 -0.07 0.00 0.13 0.00 0.00 42.46 37.92 1p97 s ILE 90 CO 0.08 -0.94 0.93 -0.31 -1.91 0.00 0.00 174.94 172.79 1p97 s TYR 91 N 3.42 3.47 0.20 3.50 1.51 -1.26 -0.80 117.35 127.38 1p97 s TYR 91 Ca 0.25 1.34 -0.30 0.00 -1.01 0.00 0.00 57.07 57.35 1p97 s TYR 91 Cb -0.15 -2.69 -0.09 0.00 -0.11 0.00 0.00 41.96 38.92 1p97 s TYR 91 CO 0.17 -0.32 1.36 1.21 -1.11 0.00 0.00 175.55 176.86 1p97 s ASN 92 N -3.18 6.82 0.29 2.29 2.47 0.12 -4.59 114.94 119.16 1p97 s ASN 92 Ca 0.56 2.46 0.01 0.00 0.42 0.00 0.00 52.86 56.31 1p97 s ASN 92 Cb -0.10 -2.61 0.45 0.00 -1.45 0.00 0.00 41.25 37.54 1p97 s ASN 92 CO 0.33 -0.59 1.83 1.55 -3.72 0.00 0.00 177.10 176.49 1p97 h PRO 93 N 5.54 0.72 0.15 0.43 0.13 -1.95 0.79 132.00 137.80 1p97 h PRO 93 Ca -0.45 -0.16 -0.35 0.00 -0.87 0.00 0.00 66.00 64.18 1p97 h PRO 93 Cb 1.21 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1p97 h PRO 93 CO 0.79 0.69 -1.80 0.00 -0.23 0.00 0.00 178.00 177.45 1p97 h ARG 94 N 0.69 0.31 0.00 0.86 3.08 -1.99 -3.40 114.38 113.93 1p97 h ARG 94 Ca 0.15 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1p97 h ARG 94 Cb 0.34 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1p97 h ARG 94 CO 0.01 1.21 -1.49 0.09 -1.07 0.00 0.00 179.97 178.71 1p97 n ASN 95 N -3.50 2.04 -2.68 7.04 4.13 -1.22 -4.98 115.26 116.08 1p97 n ASN 95 Ca -0.25 -0.06 -0.10 0.00 1.68 0.00 0.00 54.58 55.84 1p97 n ASN 95 Cb 1.06 1.53 -0.01 0.00 -1.54 0.00 0.00 39.78 40.82 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 -1.88 -0.74 -4.85 3.41 4.77 0.27 -4.90 117.00 113.08 1p97 n LEU 96 Ca -0.02 0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 55.84 1p97 n LEU 96 Cb 0.31 -1.67 0.19 0.00 -2.33 0.00 0.00 43.42 39.92 1p97 n LEU 96 CO 0.26 -0.03 0.81 0.00 -1.33 0.00 0.00 177.39 177.10 1p97 s GLN 97 N -5.25 0.40 -0.58 3.23 -2.07 -1.26 -4.56 119.66 109.57 1p97 s GLN 97 Ca 0.09 -0.25 -0.26 0.00 -1.82 0.00 0.00 55.36 53.12 1p97 s GLN 97 Cb -0.05 -1.80 -0.05 0.00 -1.09 0.00 0.00 33.01 30.02 1p97 s GLN 97 CO 0.11 -2.60 2.15 -2.14 -1.32 0.00 0.00 175.29 171.49 1p97 s PRO 98 N -5.73 2.32 0.08 9.60 0.02 -1.26 -0.70 135.00 139.33 1p97 s PRO 98 Ca 0.72 0.93 -0.18 0.00 0.02 0.00 0.00 61.00 62.49 1p97 s PRO 98 Cb -0.06 -4.53 -0.09 0.00 0.02 0.00 0.00 34.50 29.84 1p97 s PRO 98 CO 0.53 -3.11 1.46 0.37 -0.33 0.00 0.00 177.00 175.92 1p97 h GLN 99 N 16.85 0.51 -3.00 5.54 5.75 -1.22 -3.38 115.11 136.17 1p97 h GLN 99 Ca -0.22 -0.21 0.07 0.00 -0.15 0.00 0.00 58.65 58.14 1p97 h GLN 99 Cb 1.20 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.68 1p97 h GLN 99 CO 1.18 0.75 0.23 0.00 -2.65 0.00 0.00 178.83 178.34 1p97 s ILE 101 N -3.83 2.34 -0.40 0.00 1.01 0.13 -1.47 121.20 118.97 1p97 s ILE 101 Ca 0.11 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1p97 s ILE 101 Cb -0.06 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.50 1p97 s ILE 101 CO 0.07 0.55 0.31 -0.04 0.00 0.00 0.00 174.94 175.83 1p97 s MET 102 N 0.41 3.03 -0.23 2.79 -1.94 1.00 -0.73 119.30 123.63 1p97 s MET 102 Ca -0.15 -0.97 -0.03 0.00 -1.71 0.00 0.00 55.69 52.84 1p97 s MET 102 Cb -0.17 -3.96 0.01 0.00 2.01 0.00 0.00 34.83 32.71 1p97 s MET 102 CO 0.07 -0.73 -0.06 0.00 -0.01 0.00 0.00 175.02 174.29 1p97 s VAL 104 N 1.40 5.24 -0.06 0.00 1.01 -0.25 -0.69 120.40 127.05 1p97 s VAL 104 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1p97 s VAL 104 Cb -0.15 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1p97 s VAL 104 CO -0.05 -0.05 -0.01 0.20 0.00 0.00 0.00 175.10 175.20 1p97 s ASN 105 N 1.73 5.14 -0.33 3.32 0.01 -0.99 -0.32 114.94 123.49 1p97 s ASN 105 Ca 0.08 0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.34 1p97 s ASN 105 Cb -0.17 -1.41 0.10 0.00 0.41 0.00 0.00 41.25 40.18 1p97 s ASN 105 CO 0.11 0.35 0.07 -0.31 -1.51 0.00 0.00 177.10 175.81 1p97 s TYR 106 N -0.92 3.02 -0.61 2.20 2.02 0.74 -2.08 117.35 121.72 1p97 s TYR 106 Ca 0.15 -2.56 -0.27 0.00 -0.37 0.00 0.00 57.07 54.01 1p97 s TYR 106 Cb -0.11 -2.49 0.01 0.00 -0.40 0.00 0.00 41.96 38.96 1p97 s TYR 106 CO 0.04 -0.92 1.48 0.08 -1.57 0.00 0.00 175.55 174.66 1p97 s VAL 107 N 1.13 3.68 -0.04 0.71 1.01 0.80 -1.73 120.40 125.95 1p97 s VAL 107 Ca 0.11 0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.56 1p97 s VAL 107 Cb -0.18 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 31.75 1p97 s VAL 107 CO -0.14 -1.26 -0.07 0.18 0.00 0.00 0.00 175.10 173.81 1p97 n LEU 108 N 10.18 0.45 -4.91 3.92 4.77 -0.43 -1.18 117.00 129.81 1p97 n LEU 108 Ca 0.12 0.16 -0.27 0.00 -0.03 0.00 0.00 56.01 55.98 1p97 n LEU 108 Cb 0.50 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1p97 n LEU 108 CO 0.71 -0.46 0.59 -0.44 -1.33 0.00 0.00 177.39 176.46 1p97 s SER 109 N -4.33 5.51 0.50 -1.43 0.01 -1.17 -4.85 113.70 107.94 1p97 s SER 109 Ca -0.06 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1p97 s SER 109 Cb 0.01 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1p97 s SER 109 CO 0.09 -1.16 0.00 -1.84 0.41 0.00 0.00 173.24 170.73 1p97 n GLU 110 N -2.71 0.64 -2.50 12.44 0.28 -1.26 -3.88 120.64 123.65 1p97 n GLU 110 Ca 0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.62 1p97 n GLU 110 Cb 0.58 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.43 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 -0.25 4.20 0.10 3.84 1.01 -1.26 -4.13 121.20 124.71 1p97 s ILE 111 Ca 0.00 1.31 -0.23 0.00 0.00 0.00 0.00 60.65 61.74 1p97 s ILE 111 Cb 0.00 -4.33 -0.07 0.00 0.01 0.00 0.00 42.46 38.07 1p97 s ILE 111 CO 0.00 -0.65 0.68 -0.70 0.00 0.00 0.00 174.94 174.26 1p97 s GLU 112 N 4.25 4.40 -0.06 2.79 2.12 0.30 -4.90 118.70 127.59 1p97 s GLU 112 Ca 0.53 0.94 -0.03 0.00 0.36 0.00 0.00 54.97 56.77 1p97 s GLU 112 Cb -0.13 -3.28 0.04 0.00 0.26 0.00 0.00 34.13 31.02 1p97 s GLU 112 CO 0.25 0.54 0.13 0.15 -0.54 0.00 0.00 175.26 175.78 1p97 s LYS 113 N -0.88 0.08 0.00 4.30 1.02 -1.26 -1.92 119.74 121.08 1p97 s LYS 113 Ca 0.33 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.65 1p97 s LYS 113 Cb -0.21 -0.17 0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1p97 s LYS 113 CO 0.22 -0.16 0.00 -1.71 -0.92 0.00 0.00 175.35 172.78