#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 -2.99 -3.68 4.61 0.00 -1.26 -5.04 120.51 112.15 1p97 n ALA 2 Ca 0.00 0.95 -0.20 0.00 0.00 0.00 0.00 53.44 54.19 1p97 n ALA 2 Cb 0.00 -3.09 -0.18 0.00 0.00 0.00 0.00 19.45 16.18 1p97 n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1p97 s MET 3 N -2.39 -0.03 -0.03 0.00 1.00 -1.26 -5.03 119.30 111.55 1p97 s MET 3 Ca 0.22 0.36 -0.15 0.00 0.00 0.00 0.00 55.69 56.12 1p97 s MET 3 Cb -0.05 -0.54 -0.08 0.00 0.00 0.00 0.00 34.83 34.15 1p97 s MET 3 CO 0.77 -0.33 0.66 0.38 0.00 0.00 0.00 175.02 176.50 1p97 h ASP 4 N 8.43 -0.47 -3.79 3.03 3.04 -2.07 -3.50 116.42 121.10 1p97 h ASP 4 Ca -0.13 0.02 0.15 0.00 -3.24 0.00 0.00 57.03 53.83 1p97 h ASP 4 Cb 1.12 0.12 -0.09 0.00 -1.04 0.00 0.00 39.33 39.45 1p97 h ASP 4 CO 0.16 -0.07 -0.92 -1.20 -2.04 0.00 0.00 179.24 175.17 1p97 n SER 5 N -4.94 -6.52 -4.34 4.15 7.64 -1.26 -4.80 113.62 103.55 1p97 n SER 5 Ca -0.07 1.33 -0.44 0.00 1.01 0.00 0.00 58.87 60.71 1p97 n SER 5 Cb 0.22 -3.95 -0.08 0.00 -1.01 0.00 0.00 64.21 59.39 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 -4.56 2.87 -0.03 1.43 -0.14 -1.26 -5.04 119.74 113.01 1p97 s LYS 6 Ca 0.00 -1.46 -0.00 0.00 -1.36 0.00 0.00 55.97 53.14 1p97 s LYS 6 Cb 0.00 -4.07 0.03 0.00 -1.68 0.00 0.00 37.83 32.11 1p97 s LYS 6 CO 0.00 -1.08 0.03 0.99 -0.76 0.00 0.00 175.35 174.54 1p97 s THR 7 N 1.57 -0.01 -0.05 2.17 2.01 -1.26 -0.19 115.64 119.88 1p97 s THR 7 Ca 0.04 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.31 1p97 s THR 7 Cb -0.25 -0.15 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1p97 s THR 7 CO 0.05 0.13 -0.14 0.72 -0.69 0.00 0.00 174.62 174.69 1p97 s PHE 8 N 1.39 1.46 0.38 4.92 -0.71 -1.05 -4.98 117.98 119.38 1p97 s PHE 8 Ca -0.05 -0.45 -0.26 0.00 -1.04 0.00 0.00 56.93 55.13 1p97 s PHE 8 Cb -0.13 -1.02 -0.09 0.00 -1.21 0.00 0.00 43.02 40.57 1p97 s PHE 8 CO -0.03 -0.19 1.16 -1.17 -1.34 0.00 0.00 175.22 173.65 1p97 s LEU 9 N 0.29 4.24 0.05 -1.99 1.98 -1.26 -2.79 118.68 119.21 1p97 s LEU 9 Ca -0.08 2.33 0.00 0.00 -2.89 0.00 0.00 54.13 53.49 1p97 s LEU 9 Cb -0.12 -3.97 -0.03 0.00 0.66 0.00 0.00 46.19 42.72 1p97 s LEU 9 CO 0.02 -0.58 -0.04 -0.44 -1.89 0.00 0.00 176.35 173.42 1p97 s SER 10 N -1.11 0.56 -0.01 3.68 0.01 0.53 -1.05 113.70 116.30 1p97 s SER 10 Ca 0.55 -0.82 -0.03 0.00 1.31 0.00 0.00 55.95 56.96 1p97 s SER 10 Cb -0.30 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1p97 s SER 10 CO 0.39 -0.46 0.07 -0.13 0.41 0.00 0.00 173.24 173.51 1p97 s ARG 11 N -3.01 0.21 0.46 12.44 0.52 -0.18 -0.72 118.95 128.67 1p97 s ARG 11 Ca -0.00 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 1p97 s ARG 11 Cb 0.01 0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.54 1p97 s ARG 11 CO -0.06 -0.04 0.05 -1.01 0.02 0.00 0.00 175.30 174.27 1p97 s HIS 12 N -0.54 1.88 -0.03 -0.53 3.76 0.16 -0.04 115.29 119.96 1p97 s HIS 12 Ca -0.06 -1.06 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 1p97 s HIS 12 Cb -0.04 -1.43 0.03 0.00 1.11 0.00 0.00 32.58 32.24 1p97 s HIS 12 CO 0.00 0.03 -0.00 0.45 -0.85 0.00 0.00 174.74 174.37 1p97 s SER 13 N -3.74 0.42 0.00 1.40 0.15 -1.26 0.28 113.70 110.94 1p97 s SER 13 Ca 0.16 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1p97 s SER 13 Cb 0.03 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1p97 s SER 13 CO 0.09 -0.09 0.00 0.80 1.20 0.00 0.00 173.24 175.24 1p97 n MET 14 N 4.09 0.00 0.00 5.44 1.56 -1.26 -0.29 117.12 126.66 1p97 n MET 14 Ca -0.27 0.00 0.06 0.00 -0.27 0.00 0.00 57.70 57.23 1p97 n MET 14 Cb 0.51 0.00 0.31 0.00 2.15 0.00 0.00 33.22 36.18 1p97 n MET 14 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 1p97 n ASP 15 N 0.87 0.00 -3.58 6.12 5.75 -1.26 -4.88 116.55 119.57 1p97 n ASP 15 Ca 0.00 0.28 -0.20 0.00 -0.01 0.00 0.00 54.79 54.86 1p97 n ASP 15 Cb 0.00 -0.38 0.05 0.00 -1.03 0.00 0.00 41.12 39.76 1p97 n ASP 15 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 1p97 n MET 16 N -1.38 -4.92 0.09 0.11 0.00 0.60 -4.93 117.12 106.69 1p97 n MET 16 Ca 0.05 0.70 -0.06 0.00 0.00 0.00 0.00 57.70 58.39 1p97 n MET 16 Cb 0.13 -5.37 -0.03 0.00 0.00 0.00 0.00 33.22 27.94 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 -1.80 -0.32 0.00 3.17 2.10 -1.80 -3.36 116.57 114.56 1p97 h LYS 17 Ca -0.61 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.06 1p97 h LYS 17 Cb 1.35 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 1p97 h LYS 17 CO 0.53 -0.17 0.00 1.19 -2.00 0.00 0.00 179.45 178.99 1p97 n PHE 18 N -4.99 0.00 0.10 0.07 3.72 -1.14 -0.51 117.46 114.70 1p97 n PHE 18 Ca -0.05 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.38 1p97 n PHE 18 Cb 0.15 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 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 -3.73 4.37 -2.24 0.94 0.47 114.28 114.10 1p97 n THR 19 Ca 0.00 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1p97 n THR 19 Cb 0.00 0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 68.74 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 -2.07 -0.39 -0.02 4.78 5.04 -0.66 -4.78 117.35 119.26 1p97 s TYR 20 Ca -0.01 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 1p97 s TYR 20 Cb 0.04 0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.52 1p97 s TYR 20 CO 0.23 -0.28 0.00 0.00 -1.34 0.00 0.00 175.55 174.17 1p97 s ASP 22 N 0.67 5.23 0.51 0.00 -1.08 -0.21 -4.71 116.67 117.07 1p97 s ASP 22 Ca -0.06 2.30 0.25 0.00 -0.52 0.00 0.00 52.55 54.52 1p97 s ASP 22 Cb -0.09 -2.59 1.37 0.00 -1.46 0.00 0.00 42.92 40.15 1p97 s ASP 22 CO -0.02 -1.56 2.06 -2.24 0.52 0.00 0.00 175.17 173.93 1p97 h ASP 23 N 0.80 0.00 -0.07 -0.34 2.03 -2.00 -1.82 116.42 115.02 1p97 h ASP 23 Ca -0.50 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 55.82 1p97 h ASP 23 Cb 1.29 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1p97 h ASP 23 CO 0.55 0.13 0.18 0.03 -1.03 0.00 0.00 179.24 179.10 1p97 h ARG 24 N 0.00 0.00 0.00 4.15 3.08 -1.94 -2.70 114.38 116.96 1p97 h ARG 24 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1p97 h ARG 24 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1p97 h ARG 24 CO 0.02 0.00 -0.09 0.97 -1.07 0.00 0.00 179.97 179.80 1p97 h ILE 25 N 0.00 0.95 -0.84 2.04 2.10 -1.66 -1.13 117.51 118.97 1p97 h ILE 25 Ca 0.03 -0.32 0.13 0.00 1.08 0.00 0.00 64.86 65.78 1p97 h ILE 25 Cb 0.39 1.18 -0.06 0.00 -1.09 0.00 0.00 36.82 37.23 1p97 h ILE 25 CO -0.00 0.09 0.55 0.71 -1.08 0.00 0.00 178.15 178.42 1p97 h THR 26 N 0.00 0.86 0.00 2.19 1.35 -1.43 0.33 112.91 116.21 1p97 h THR 26 Ca -0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1p97 h THR 26 Cb 0.17 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 1p97 h THR 26 CO 0.01 0.12 -1.18 -0.62 -0.25 0.00 0.00 175.52 173.60 1p97 n GLU 27 N -4.53 0.46 -0.09 4.72 -0.58 -0.49 -3.23 120.64 116.90 1p97 n GLU 27 Ca 0.16 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.77 1p97 n GLU 27 Cb 0.44 -1.66 -0.05 0.00 -0.57 0.00 0.00 31.44 29.59 1p97 n GLU 27 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1p97 n LEU 28 N -2.27 1.88 -0.28 -4.62 4.77 -0.48 -4.62 117.00 111.38 1p97 n LEU 28 Ca 0.00 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.53 1p97 n LEU 28 Cb 0.50 -0.85 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1p97 n LEU 28 CO 0.41 -0.10 0.18 -0.38 -1.33 0.00 0.00 177.39 176.17 1p97 n ILE 29 N -4.48 0.00 0.00 -0.08 2.08 0.10 -4.98 119.36 112.00 1p97 n ILE 29 Ca -0.22 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 62.84 1p97 n ILE 29 Cb 0.51 1.14 0.00 0.00 -0.75 0.00 0.00 39.64 40.55 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 1.26 2.98 2.78 7.39 0.00 -0.75 -0.65 105.19 118.19 1p97 n GLY 30 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.54 -3.94 -3.97 1.61 4.01 -1.26 -4.82 117.16 107.26 1p97 n TYR 31 Ca 0.00 -0.87 -0.32 0.00 -0.16 0.00 0.00 57.90 56.55 1p97 n TYR 31 Cb 0.00 -0.73 -0.05 0.00 -0.31 0.00 0.00 39.34 38.25 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 -3.03 3.42 0.29 -0.72 2.46 -1.26 -3.15 115.29 113.30 1p97 s HIS 32 Ca 0.54 0.23 0.03 0.00 0.47 0.00 0.00 55.06 56.32 1p97 s HIS 32 Cb -0.01 -1.74 0.65 0.00 -0.13 0.00 0.00 32.58 31.35 1p97 s HIS 32 CO 0.38 0.58 1.78 -1.35 -2.47 0.00 0.00 174.74 173.65 1p97 h PRO 33 N 3.39 0.71 0.00 2.88 0.11 -1.84 0.15 132.00 137.40 1p97 h PRO 33 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1p97 h PRO 33 Cb 1.17 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1p97 h PRO 33 CO 0.71 0.47 -0.01 -0.85 -0.21 0.00 0.00 178.00 178.11 1p97 n GLU 34 N -4.79 0.13 0.10 1.05 0.00 -1.26 -1.39 120.64 114.47 1p97 n GLU 34 Ca 0.21 0.10 -0.15 0.00 0.00 0.00 0.00 57.16 57.32 1p97 n GLU 34 Cb 0.51 -1.65 -0.11 0.00 0.00 0.00 0.00 31.44 30.19 1p97 n GLU 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1p97 h GLU 35 N 0.00 0.30 0.11 3.44 4.39 -1.11 -3.35 114.58 118.36 1p97 h GLU 35 Ca 0.00 -0.45 -0.27 0.00 0.34 0.00 0.00 59.36 58.98 1p97 h GLU 35 Cb 0.62 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1p97 h GLU 35 CO 0.00 1.18 -1.42 -0.07 -1.16 0.00 0.00 179.01 177.54 1p97 h LEU 36 N 0.11 0.35 -8.37 1.33 4.07 -1.20 -3.43 115.31 108.17 1p97 h LEU 36 Ca -0.12 -0.84 -0.22 0.00 0.08 0.00 0.00 57.88 56.78 1p97 h LEU 36 Cb 1.85 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 43.46 1p97 h LEU 36 CO 0.19 1.62 0.65 -1.48 -1.08 0.00 0.00 178.44 178.33 1p97 s LEU 37 N -7.54 3.09 0.00 1.67 0.05 -0.49 -1.34 118.68 114.12 1p97 s LEU 37 Ca -0.21 0.03 0.00 0.00 0.05 0.00 0.00 54.13 54.00 1p97 s LEU 37 Cb 0.05 -2.54 0.00 0.00 -2.05 0.00 0.00 46.19 41.64 1p97 s LEU 37 CO 0.75 -3.22 0.00 0.61 -0.55 0.00 0.00 176.35 173.95 1p97 n GLY 38 N 6.57 0.68 3.19 -3.48 0.00 0.18 -4.87 105.19 107.46 1p97 n GLY 38 Ca 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.88 -0.12 1.61 1.70 -0.45 -5.01 118.95 117.56 1p97 s ARG 39 Ca 0.00 -1.30 -0.29 0.00 -0.47 0.00 0.00 55.73 53.66 1p97 s ARG 39 Cb 0.00 -0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 33.98 1p97 s ARG 39 CO 0.00 0.03 1.36 -1.12 -1.08 0.00 0.00 175.30 174.49 1p97 s SER 40 N -2.89 6.88 0.11 -2.89 0.01 -1.26 -2.88 113.70 110.77 1p97 s SER 40 Ca 0.11 1.87 -0.29 0.00 1.31 0.00 0.00 55.95 58.94 1p97 s SER 40 Cb 0.02 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.62 1p97 s SER 40 CO -0.02 -0.78 1.61 0.00 0.41 0.00 0.00 173.24 174.45 1p97 h ALA 41 N 8.44 -0.62 -0.56 1.44 0.00 -0.95 -3.24 119.26 123.76 1p97 h ALA 41 Ca -0.31 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 54.70 1p97 h ALA 41 Cb 1.13 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1p97 h ALA 41 CO 0.95 -0.91 0.94 1.88 0.00 0.00 0.00 179.25 182.12 1p97 h TYR 42 N -0.60 0.00 0.12 0.00 -1.99 -1.84 0.47 116.97 113.14 1p97 h TYR 42 Ca 0.02 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1p97 h TYR 42 Cb 0.61 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.34 1p97 h TYR 42 CO -0.29 0.00 -0.06 0.93 -0.00 0.00 0.00 178.16 178.74 1p97 h GLU 43 N 0.00 -0.16 0.00 4.88 5.08 -1.91 -3.32 114.58 119.15 1p97 h GLU 43 Ca 0.27 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1p97 h GLU 43 Cb 2.14 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.43 1p97 h GLU 43 CO -0.00 -0.11 -0.15 0.27 -1.00 0.00 0.00 179.01 178.03 1p97 h PHE 44 N -0.20 0.00 -0.00 4.33 -0.00 -1.43 -3.41 116.94 116.22 1p97 h PHE 44 Ca -0.02 0.00 -0.64 0.00 -0.00 0.00 0.00 57.97 57.31 1p97 h PHE 44 Cb 0.13 0.00 0.06 0.00 -0.00 0.00 0.00 35.95 36.14 1p97 h PHE 44 CO 0.15 0.00 2.14 0.98 -0.00 0.00 0.00 178.31 181.58 1p97 n TYR 45 N -2.35 1.58 -0.53 6.09 9.36 0.15 -2.21 117.16 129.25 1p97 n TYR 45 Ca 0.05 -1.59 0.00 0.00 3.32 0.00 0.00 57.90 59.67 1p97 n TYR 45 Cb 0.45 -1.56 0.00 0.00 -0.63 0.00 0.00 39.34 37.60 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 7.79 -1.41 -0.04 2.98 8.25 -1.23 -4.06 115.22 127.50 1p97 n HIS 46 Ca 0.49 0.74 -0.01 0.00 -0.26 0.00 0.00 57.72 58.68 1p97 n HIS 46 Cb 0.41 -2.02 -0.00 0.00 1.12 0.00 0.00 29.99 29.49 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 0.76 0.00 0.00 -1.41 0.00 -1.83 -3.26 119.26 113.51 1p97 h ALA 47 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1p97 h ALA 47 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1p97 h ALA 47 CO 0.00 0.11 -0.94 1.47 0.00 0.00 0.00 179.25 179.89 1p97 n LEU 48 N -3.79 0.75 -0.80 0.00 -0.00 -1.26 -3.98 117.00 107.91 1p97 n LEU 48 Ca -0.02 0.24 0.13 0.00 -0.00 0.00 0.00 56.01 56.36 1p97 n LEU 48 Cb 0.06 -0.10 0.25 0.00 -0.00 0.00 0.00 43.42 43.63 1p97 n LEU 48 CO 0.02 -0.11 0.72 0.47 -0.00 0.00 0.00 177.39 178.49 1p97 n ASP 49 N -2.41 2.48 0.13 1.45 9.92 -1.26 -3.77 116.55 123.10 1p97 n ASP 49 Ca 0.01 -1.83 0.00 0.00 -0.53 0.00 0.00 54.79 52.45 1p97 n ASP 49 Cb 0.50 -0.01 0.29 0.00 -0.64 0.00 0.00 41.12 41.26 1p97 n ASP 49 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1p97 h SER 50 N 3.85 0.16 -0.94 -2.24 0.87 -1.69 -1.25 113.55 112.31 1p97 h SER 50 Ca 0.00 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1p97 h SER 50 Cb 0.82 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.69 1p97 h SER 50 CO 0.00 0.52 0.57 -0.08 -0.53 0.00 0.00 176.83 177.30 1p97 h GLU 51 N 0.13 1.28 -0.79 2.24 4.57 -1.84 0.78 114.58 120.96 1p97 h GLU 51 Ca 0.01 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1p97 h GLU 51 Cb 0.72 -0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 1p97 h GLU 51 CO 0.05 0.90 0.45 -0.97 -1.18 0.00 0.00 179.01 178.26 1p97 h ASN 52 N 1.30 0.96 0.58 1.04 -0.73 -1.61 -1.16 115.58 115.97 1p97 h ASN 52 Ca 0.34 -0.08 -0.14 0.00 1.87 0.00 0.00 56.30 58.29 1p97 h ASN 52 Cb -0.05 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.28 1p97 h ASN 52 CO -0.06 0.76 -0.64 -0.03 -0.37 0.00 0.00 177.43 177.09 1p97 h MET 53 N 1.08 0.05 -0.45 6.67 4.05 -0.07 -1.44 114.93 124.83 1p97 h MET 53 Ca 0.28 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 1p97 h MET 53 Cb -0.00 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1p97 h MET 53 CO -0.05 0.67 0.29 1.15 0.23 0.00 0.00 176.91 179.20 1p97 h THR 54 N 0.04 1.13 -0.85 -0.77 2.02 0.11 0.47 112.91 115.05 1p97 h THR 54 Ca -0.01 -0.26 0.06 0.00 0.77 0.00 0.00 66.41 66.98 1p97 h THR 54 Cb 1.14 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 1p97 h THR 54 CO 0.09 0.12 0.55 0.50 0.37 0.00 0.00 175.52 177.16 1p97 h LYS 55 N 0.61 0.93 -0.02 6.66 1.63 -0.90 0.39 116.57 125.86 1p97 h LYS 55 Ca 0.16 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1p97 h LYS 55 Cb -0.04 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.38 1p97 h LYS 55 CO -0.03 0.61 0.00 1.03 -3.45 0.00 0.00 179.45 177.61 1p97 h SER 56 N 0.95 0.03 -0.83 4.20 0.87 -0.16 -0.64 113.55 117.98 1p97 h SER 56 Ca 0.36 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1p97 h SER 56 Cb 0.20 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 1p97 h SER 56 CO -0.13 0.30 0.41 -0.74 -0.53 0.00 0.00 176.83 176.13 1p97 h HIS 57 N -0.24 1.18 -0.51 2.24 -0.00 0.28 0.49 115.15 118.59 1p97 h HIS 57 Ca 0.01 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1p97 h HIS 57 Cb 0.28 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 1p97 h HIS 57 CO 0.02 0.85 0.31 0.37 -0.00 0.00 0.00 177.93 179.48 1p97 h GLN 58 N 1.17 0.68 0.15 5.26 4.15 -0.15 -0.99 115.11 125.37 1p97 h GLN 58 Ca 0.28 -0.05 -0.25 0.00 0.77 0.00 0.00 58.65 59.40 1p97 h GLN 58 Cb 0.10 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 27.66 1p97 h GLN 58 CO -0.04 0.47 -1.22 -0.97 -1.93 0.00 0.00 178.83 175.14 1p97 h ASN 59 N 0.69 0.48 0.86 -0.69 -1.24 -0.21 -3.36 115.58 112.12 1p97 h ASN 59 Ca 0.18 -0.90 -0.07 0.00 0.71 0.00 0.00 56.30 56.23 1p97 h ASN 59 Cb -0.04 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 1p97 h ASN 59 CO -0.04 1.56 -0.31 0.25 -1.29 0.00 0.00 177.43 177.60 1p97 h LEU 60 N -0.25 0.00 -2.53 0.34 5.85 0.08 -2.90 115.31 115.90 1p97 h LEU 60 Ca -0.24 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1p97 h LEU 60 Cb 1.78 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 1p97 h LEU 60 CO 0.12 0.31 -0.02 0.00 -0.34 0.00 0.00 178.44 178.52 1p97 n THR 62 N -3.57 0.55 0.00 0.00 -1.04 -1.17 -4.81 114.28 104.24 1p97 n THR 62 Ca -0.03 -1.72 0.00 0.00 -2.04 0.00 0.00 64.05 60.26 1p97 n THR 62 Cb 0.10 1.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 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 -0.61 2.47 -0.21 -2.82 4.76 -1.10 -5.01 118.16 115.63 1p97 n LYS 63 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1p97 n LYS 63 Cb 0.87 -0.78 0.00 0.00 -1.84 0.00 0.00 35.03 33.28 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 1.47 2.47 3.54 0.72 0.00 -1.19 -4.92 105.19 107.27 1p97 n GLY 64 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.01 0.90 -0.06 1.61 0.74 -1.26 -2.52 119.66 119.06 1p97 s GLN 65 Ca 0.00 0.21 -0.25 0.00 0.05 0.00 0.00 55.36 55.38 1p97 s GLN 65 Cb 0.00 0.43 0.05 0.00 1.10 0.00 0.00 33.01 34.59 1p97 s GLN 65 CO 0.00 -0.28 0.55 0.54 -0.55 0.00 0.00 175.29 175.55 1p97 s VAL 66 N -1.19 0.02 0.11 1.34 0.11 0.16 -4.60 120.40 116.35 1p97 s VAL 66 Ca -0.08 -0.15 0.07 0.00 -2.93 0.00 0.00 61.98 58.90 1p97 s VAL 66 Cb -0.00 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1p97 s VAL 66 CO 0.07 -0.08 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.88 1p97 s VAL 67 N -1.06 1.58 -0.17 2.04 1.01 -1.26 -0.06 120.40 122.47 1p97 s VAL 67 Ca -0.11 -1.59 -0.28 0.00 0.00 0.00 0.00 61.98 60.01 1p97 s VAL 67 Cb -0.02 -1.52 0.08 0.00 0.00 0.00 0.00 36.38 34.92 1p97 s VAL 67 CO 0.07 -0.17 0.76 -0.94 0.00 0.00 0.00 175.10 174.82 1p97 s SER 68 N -2.07 -0.65 0.00 3.32 1.04 -0.72 -4.98 113.70 109.64 1p97 s SER 68 Ca 0.07 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1p97 s SER 68 Cb -0.09 0.93 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1p97 s SER 68 CO 0.04 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1p97 n GLY 69 N 1.75 3.09 3.43 7.32 0.00 -1.26 -1.01 105.19 118.51 1p97 n GLY 69 Ca -0.15 -1.92 -0.52 0.00 0.00 0.00 0.00 46.02 43.43 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 0.00 0.98 -4.45 1.61 6.02 -1.17 -4.14 117.38 116.23 1p97 n GLN 70 Ca 0.00 0.27 -0.22 0.00 -0.01 0.00 0.00 57.00 57.04 1p97 n GLN 70 Cb 0.00 -2.35 -0.11 0.00 1.02 0.00 0.00 30.24 28.80 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 7.03 2.00 -0.31 1.08 -0.85 0.56 -4.87 117.35 121.98 1p97 s TYR 71 Ca 1.10 -0.86 -0.16 0.00 -0.52 0.00 0.00 57.07 56.64 1p97 s TYR 71 Cb -0.93 -1.27 -0.02 0.00 0.38 0.00 0.00 41.96 40.12 1p97 s TYR 71 CO 0.51 0.12 0.40 1.03 -1.52 0.00 0.00 175.55 176.09 1p97 s ARG 72 N -3.83 3.79 -0.17 -3.49 0.52 -1.26 -1.24 118.95 113.27 1p97 s ARG 72 Ca 0.34 -0.15 -0.08 0.00 -0.52 0.00 0.00 55.73 55.32 1p97 s ARG 72 Cb 0.07 -3.74 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 1p97 s ARG 72 CO 0.14 -0.43 0.10 1.41 0.02 0.00 0.00 175.30 176.54 1p97 s MET 73 N 2.12 3.88 -0.06 3.54 1.75 0.79 -3.48 119.30 127.83 1p97 s MET 73 Ca 0.15 -0.25 -0.30 0.00 -1.25 0.00 0.00 55.69 54.04 1p97 s MET 73 Cb -0.16 -3.26 -0.04 0.00 2.84 0.00 0.00 34.83 34.21 1p97 s MET 73 CO 0.11 0.42 1.44 -1.17 -0.65 0.00 0.00 175.02 175.17 1p97 s LEU 74 N -0.02 4.28 0.61 4.11 2.96 -0.94 -0.91 118.68 128.76 1p97 s LEU 74 Ca 0.08 2.03 -0.07 0.00 -0.22 0.00 0.00 54.13 55.95 1p97 s LEU 74 Cb -0.12 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1p97 s LEU 74 CO 0.00 -0.79 0.94 0.00 -1.32 0.00 0.00 176.35 175.18 1p97 s ALA 75 N 3.22 3.21 0.33 5.97 0.00 0.96 -4.86 121.76 130.59 1p97 s ALA 75 Ca 0.64 -0.56 0.10 0.00 0.00 0.00 0.00 51.96 52.14 1p97 s ALA 75 Cb -0.29 -2.73 1.00 0.00 0.00 0.00 0.00 23.12 21.10 1p97 s ALA 75 CO 0.24 -0.82 1.58 -0.22 0.00 0.00 0.00 175.76 176.54 1p97 h LYS 76 N -0.25 0.03 -0.64 0.00 3.64 -1.21 0.28 116.57 118.41 1p97 h LYS 76 Ca -0.45 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1p97 h LYS 76 Cb 1.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1p97 h LYS 76 CO 0.62 0.02 0.00 -2.39 -2.27 0.00 0.00 179.45 175.43 1p97 n HIS 77 N -5.37 1.57 -0.32 1.91 1.44 -1.26 -4.83 115.22 108.36 1p97 n HIS 77 Ca 0.29 -0.60 0.00 0.00 -2.01 0.00 0.00 57.72 55.41 1p97 n HIS 77 Cb 0.97 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 30.78 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 0.96 0.81 3.91 -1.39 0.00 0.95 -5.07 105.19 105.36 1p97 n GLY 78 Ca 0.25 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.25 1.72 -0.05 -0.02 0.00 -1.11 -4.74 107.32 100.87 1p97 s GLY 79 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 1p97 s GLY 79 CO 0.00 -0.33 0.01 -0.19 0.00 0.00 0.00 173.10 172.58 1p97 s TYR 80 N -3.76 0.47 -0.07 1.90 2.02 0.34 -0.03 117.35 118.22 1p97 s TYR 80 Ca 0.70 -0.05 0.04 0.00 -0.37 0.00 0.00 57.07 57.39 1p97 s TYR 80 Cb -0.06 -0.62 -0.02 0.00 -0.40 0.00 0.00 41.96 40.86 1p97 s TYR 80 CO 0.52 -0.24 -0.17 0.14 -1.57 0.00 0.00 175.55 174.23 1p97 s VAL 81 N 1.66 2.75 -0.20 0.71 -7.23 -0.09 0.68 120.40 118.68 1p97 s VAL 81 Ca -0.00 -0.82 -0.23 0.00 -1.81 0.00 0.00 61.98 59.12 1p97 s VAL 81 Cb -0.13 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1p97 s VAL 81 CO -0.03 0.57 0.75 0.26 -0.31 0.00 0.00 175.10 176.34 1p97 s TRP 82 N -0.32 3.37 0.20 2.82 0.52 -1.07 -0.15 118.94 124.31 1p97 s TRP 82 Ca 0.02 1.09 -0.01 0.00 0.02 0.00 0.00 56.10 57.23 1p97 s TRP 82 Cb -0.13 -2.94 -0.04 0.00 -1.15 0.00 0.00 33.47 29.21 1p97 s TRP 82 CO 0.02 -0.26 0.11 -0.51 0.02 0.00 0.00 176.95 176.33 1p97 s LEU 83 N 2.27 1.35 0.06 2.99 1.02 -0.37 -0.38 118.68 125.61 1p97 s LEU 83 Ca 0.34 -1.35 0.08 0.00 0.02 0.00 0.00 54.13 53.21 1p97 s LEU 83 Cb -0.16 0.30 -0.03 0.00 0.02 0.00 0.00 46.19 46.32 1p97 s LEU 83 CO 0.10 -0.80 -0.22 -1.61 0.02 0.00 0.00 176.35 173.85 1p97 s GLU 84 N -4.12 1.39 -0.26 1.70 2.02 -0.94 -0.33 118.70 118.18 1p97 s GLU 84 Ca 0.36 -1.01 -0.04 0.00 0.02 0.00 0.00 54.97 54.29 1p97 s GLU 84 Cb 0.07 -1.55 0.01 0.00 0.10 0.00 0.00 34.13 32.76 1p97 s GLU 84 CO 0.10 0.39 -0.00 0.99 0.02 0.00 0.00 175.26 176.76 1p97 s THR 85 N -0.87 3.45 -0.52 3.63 2.01 -0.18 -1.76 115.64 121.40 1p97 s THR 85 Ca 0.08 -0.72 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 1p97 s THR 85 Cb -0.09 -2.70 0.04 0.00 0.01 0.00 0.00 72.50 69.76 1p97 s THR 85 CO 0.02 0.23 0.83 -1.58 -0.69 0.00 0.00 174.62 173.43 1p97 s GLN 86 N 1.44 3.29 0.06 4.92 2.00 -0.11 -1.76 119.66 129.50 1p97 s GLN 86 Ca 0.03 -0.40 0.04 0.00 -2.00 0.00 0.00 55.36 53.03 1p97 s GLN 86 Cb -0.16 -4.04 -0.04 0.00 0.80 0.00 0.00 33.01 29.57 1p97 s GLN 86 CO -0.01 -1.35 -0.01 0.20 -0.50 0.00 0.00 175.29 173.62 1p97 s GLY 87 N 2.67 1.89 -0.19 2.59 0.00 0.91 -0.71 107.32 114.48 1p97 s GLY 87 Ca 0.26 -1.07 -0.17 0.00 0.00 0.00 0.00 44.72 43.73 1p97 s GLY 87 CO 0.18 -1.02 0.51 -1.59 0.00 0.00 0.00 173.10 171.18 1p97 s THR 88 N -1.23 -0.00 -0.31 0.90 2.01 -0.57 -0.66 115.64 115.78 1p97 s THR 88 Ca 0.23 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.14 1p97 s THR 88 Cb -0.12 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.67 1p97 s THR 88 CO 0.15 0.00 0.15 -0.69 -0.69 0.00 0.00 174.62 173.55 1p97 s VAL 89 N 0.33 4.65 -0.39 3.82 1.01 -1.05 -0.07 120.40 128.71 1p97 s VAL 89 Ca -0.01 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 1p97 s VAL 89 Cb -0.04 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1p97 s VAL 89 CO -0.00 0.09 0.82 -0.51 0.00 0.00 0.00 175.10 175.50 1p97 s ILE 90 N 1.63 4.67 0.26 2.22 2.07 -0.33 -4.80 121.20 126.93 1p97 s ILE 90 Ca 0.05 0.84 -0.06 0.00 -1.41 0.00 0.00 60.65 60.07 1p97 s ILE 90 Cb -0.17 -4.27 -0.06 0.00 0.13 0.00 0.00 42.46 38.10 1p97 s ILE 90 CO 0.07 -0.54 0.54 -0.31 -1.91 0.00 0.00 174.94 172.78 1p97 s TYR 91 N 3.25 3.47 0.18 3.50 1.51 -1.26 -0.46 117.35 127.54 1p97 s TYR 91 Ca 0.33 0.68 -0.31 0.00 -1.01 0.00 0.00 57.07 56.76 1p97 s TYR 91 Cb -0.12 -2.13 -0.10 0.00 -0.11 0.00 0.00 41.96 39.50 1p97 s TYR 91 CO 0.19 0.21 1.48 -0.80 -1.11 0.00 0.00 175.55 175.53 1p97 s ASN 92 N -2.94 6.67 0.19 2.29 -0.87 0.11 -4.64 114.94 115.76 1p97 s ASN 92 Ca 0.44 2.56 -0.02 0.00 -1.57 0.00 0.00 52.86 54.28 1p97 s ASN 92 Cb -0.11 -2.60 0.12 0.00 -0.02 0.00 0.00 41.25 38.64 1p97 s ASN 92 CO 0.28 -0.74 1.49 1.55 -2.57 0.00 0.00 177.10 177.11 1p97 h PRO 93 N 6.21 0.47 -0.00 -0.60 0.13 -1.96 0.79 132.00 137.04 1p97 h PRO 93 Ca -0.44 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1p97 h PRO 93 Cb 1.21 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1p97 h PRO 93 CO 0.86 0.93 -0.53 0.54 -0.23 0.00 0.00 178.00 179.57 1p97 n ARG 94 N -3.91 0.11 0.00 0.86 1.74 -1.26 -4.31 116.66 109.88 1p97 n ARG 94 Ca -0.03 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1p97 n ARG 94 Cb 0.63 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.39 3.22 0.00 0.55 4.13 -1.21 -5.00 115.26 115.55 1p97 n ASN 95 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1p97 n ASN 95 Cb 0.34 0.56 0.00 0.00 -1.54 0.00 0.00 39.78 39.14 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 -1.10 0.89 -4.89 3.41 7.99 0.27 -4.92 117.00 118.66 1p97 n LEU 96 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.71 1p97 n LEU 96 Cb 0.09 -2.22 0.03 0.00 -0.11 0.00 0.00 43.42 41.21 1p97 n LEU 96 CO 0.00 -0.86 0.67 -1.10 -1.51 0.00 0.00 177.39 174.59 1p97 s GLN 97 N -1.72 3.02 -0.56 3.23 -1.52 -1.26 -4.64 119.66 116.20 1p97 s GLN 97 Ca 0.00 0.36 -0.26 0.00 -1.95 0.00 0.00 55.36 53.51 1p97 s GLN 97 Cb 0.00 -2.12 -0.06 0.00 -0.22 0.00 0.00 33.01 30.61 1p97 s GLN 97 CO 0.00 -0.83 2.27 -2.14 -0.25 0.00 0.00 175.29 174.34 1p97 s PRO 98 N -5.20 2.18 0.05 2.91 0.02 -1.26 0.08 135.00 133.78 1p97 s PRO 98 Ca 0.56 1.07 -0.22 0.00 0.02 0.00 0.00 61.00 62.43 1p97 s PRO 98 Cb -0.11 -4.58 -0.14 0.00 0.02 0.00 0.00 34.50 29.70 1p97 s PRO 98 CO 0.50 -3.29 1.50 0.37 -0.33 0.00 0.00 177.00 175.75 1p97 h GLN 99 N 17.57 0.18 -2.54 5.54 5.75 -1.03 -3.35 115.11 137.23 1p97 h GLN 99 Ca -0.21 -0.05 0.14 0.00 -0.15 0.00 0.00 58.65 58.38 1p97 h GLN 99 Cb 1.21 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.68 1p97 h GLN 99 CO 1.16 0.41 0.46 0.00 -2.65 0.00 0.00 178.83 178.20 1p97 s ILE 101 N -2.96 2.55 -0.33 0.00 -1.09 0.14 -1.18 121.20 118.33 1p97 s ILE 101 Ca 0.15 -0.84 -0.08 0.00 -2.23 0.00 0.00 60.65 57.65 1p97 s ILE 101 Cb -0.03 -2.03 0.02 0.00 -1.58 0.00 0.00 42.46 38.85 1p97 s ILE 101 CO 0.05 0.54 0.13 -0.04 -1.23 0.00 0.00 174.94 174.39 1p97 s MET 102 N 0.32 2.86 -0.12 2.79 -1.94 0.90 -0.66 119.30 123.45 1p97 s MET 102 Ca -0.14 -1.03 0.01 0.00 -1.71 0.00 0.00 55.69 52.82 1p97 s MET 102 Cb -0.17 -3.52 -0.01 0.00 2.01 0.00 0.00 34.83 33.14 1p97 s MET 102 CO 0.07 -0.59 -0.14 0.00 -0.01 0.00 0.00 175.02 174.35 1p97 s VAL 104 N 0.25 3.79 -0.16 0.00 1.01 0.11 -0.35 120.40 125.05 1p97 s VAL 104 Ca -0.10 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1p97 s VAL 104 Cb -0.16 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1p97 s VAL 104 CO 0.05 0.14 0.07 0.20 0.00 0.00 0.00 175.10 175.57 1p97 s ASN 105 N 1.48 5.78 -0.31 3.32 0.01 -1.12 -0.94 114.94 123.17 1p97 s ASN 105 Ca 0.03 0.18 -0.01 0.00 -0.71 0.00 0.00 52.86 52.34 1p97 s ASN 105 Cb -0.17 -1.93 0.06 0.00 0.41 0.00 0.00 41.25 39.62 1p97 s ASN 105 CO 0.01 0.25 0.01 -0.31 -1.51 0.00 0.00 177.10 175.55 1p97 s TYR 106 N -0.07 3.31 -0.51 2.20 1.51 -0.72 -2.54 117.35 120.53 1p97 s TYR 106 Ca 0.07 -2.00 -0.28 0.00 -1.01 0.00 0.00 57.07 53.85 1p97 s TYR 106 Cb -0.12 -2.21 0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1p97 s TYR 106 CO 0.01 -0.83 1.33 0.08 -1.11 0.00 0.00 175.55 175.02 1p97 s VAL 107 N 1.22 3.94 -0.03 0.71 1.01 0.73 -2.20 120.40 125.77 1p97 s VAL 107 Ca -0.04 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 1p97 s VAL 107 Cb -0.20 -4.45 -0.01 0.00 0.00 0.00 0.00 36.38 31.72 1p97 s VAL 107 CO -0.02 -1.05 -0.04 0.18 0.00 0.00 0.00 175.10 174.17 1p97 n LEU 108 N 8.85 0.42 -4.90 3.92 4.77 0.49 -4.43 117.00 126.12 1p97 n LEU 108 Ca 0.13 0.32 -0.33 0.00 -0.03 0.00 0.00 56.01 56.10 1p97 n LEU 108 Cb 0.49 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1p97 n LEU 108 CO 0.71 -0.49 -0.10 -0.55 -1.33 0.00 0.00 177.39 175.63 1p97 s SER 109 N -4.06 6.42 0.16 -1.43 0.15 -1.01 -4.98 113.70 108.96 1p97 s SER 109 Ca -0.04 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1p97 s SER 109 Cb 0.01 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1p97 s SER 109 CO 0.05 0.20 0.00 -1.84 1.20 0.00 0.00 173.24 172.86 1p97 n GLU 110 N 0.69 1.08 -1.84 5.44 0.28 -1.26 -2.59 120.64 122.43 1p97 n GLU 110 Ca -0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.49 1p97 n GLU 110 Cb 0.52 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.36 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 0.11 3.30 -0.14 3.84 1.01 -1.26 -4.34 121.20 123.71 1p97 s ILE 111 Ca 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.91 1p97 s ILE 111 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1p97 s ILE 111 CO 0.00 -0.18 0.08 -0.70 0.00 0.00 0.00 174.94 174.14 1p97 s GLU 112 N 5.52 3.59 -0.08 2.79 2.12 0.22 -4.91 118.70 127.95 1p97 s GLU 112 Ca 0.87 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.93 1p97 s GLU 112 Cb -0.29 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 30.98 1p97 s GLU 112 CO 0.34 0.55 -0.06 0.15 -0.54 0.00 0.00 175.26 175.71 1p97 s LYS 113 N -0.41 1.17 0.00 4.30 1.02 -1.26 -0.50 119.74 124.06 1p97 s LYS 113 Ca 0.10 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.92 1p97 s LYS 113 Cb -0.12 -1.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 1p97 s LYS 113 CO 0.02 -0.16 0.00 -1.71 -0.92 0.00 0.00 175.35 172.57