#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 0.00 -3.96 4.61 0.00 -1.26 -4.55 120.51 115.36 1p97 n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1p97 n ALA 2 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 0.00 1.65 0.00 0.00 1.00 -1.26 -5.09 119.30 115.59 1p97 s MET 3 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 55.69 53.52 1p97 s MET 3 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 34.83 31.68 1p97 s MET 3 CO 0.00 -1.03 0.00 -0.25 0.00 0.00 0.00 175.02 173.74 1p97 n ASP 4 N 3.75 0.00 -1.43 3.03 8.00 -1.26 -4.25 116.55 124.39 1p97 n ASP 4 Ca 0.04 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.38 1p97 n ASP 4 Cb 0.37 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.42 1p97 n ASP 4 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1p97 n SER 5 N 0.00 -5.00 -2.53 -2.24 7.64 -1.26 -3.82 113.62 106.41 1p97 n SER 5 Ca 0.00 0.31 -0.01 0.00 1.01 0.00 0.00 58.87 60.18 1p97 n SER 5 Cb 0.00 -4.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 1p97 n SER 5 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1p97 n LYS 6 N -2.54 -2.77 -4.62 1.43 5.02 -1.26 -4.07 118.16 109.36 1p97 n LYS 6 Ca -0.17 2.32 -0.25 0.00 -2.02 0.00 0.00 58.31 58.19 1p97 n LYS 6 Cb 0.57 -4.72 -0.16 0.00 -0.02 0.00 0.00 35.03 30.69 1p97 n LYS 6 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1p97 s THR 7 N -1.54 1.17 -0.01 -0.18 2.01 -1.25 -1.93 115.64 113.92 1p97 s THR 7 Ca 0.04 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1p97 s THR 7 Cb -0.01 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 1p97 s THR 7 CO 0.65 0.36 -0.13 0.72 -0.69 0.00 0.00 174.62 175.54 1p97 s PHE 8 N 0.59 1.12 0.44 4.92 -0.71 -1.02 -4.96 117.98 118.36 1p97 s PHE 8 Ca -0.14 -0.22 -0.21 0.00 -1.04 0.00 0.00 56.93 55.32 1p97 s PHE 8 Cb -0.15 -0.72 -0.10 0.00 -1.21 0.00 0.00 43.02 40.84 1p97 s PHE 8 CO 0.04 -0.01 0.99 -1.17 -1.34 0.00 0.00 175.22 173.72 1p97 s LEU 9 N -0.37 3.96 0.14 -1.99 1.98 -1.26 -1.64 118.68 119.50 1p97 s LEU 9 Ca 0.04 1.82 -0.08 0.00 -2.89 0.00 0.00 54.13 53.03 1p97 s LEU 9 Cb -0.05 -4.47 -0.01 0.00 0.66 0.00 0.00 46.19 42.32 1p97 s LEU 9 CO -0.00 -0.50 0.23 -0.44 -1.89 0.00 0.00 176.35 173.75 1p97 s SER 10 N -2.00 0.10 -0.01 3.68 0.01 0.69 -0.30 113.70 115.87 1p97 s SER 10 Ca 0.62 -0.85 -0.05 0.00 1.31 0.00 0.00 55.95 56.99 1p97 s SER 10 Cb -0.14 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1p97 s SER 10 CO 0.18 -0.83 0.11 -0.13 0.41 0.00 0.00 173.24 172.98 1p97 s ARG 11 N -3.95 0.33 0.46 12.44 0.52 0.37 -0.97 118.95 128.16 1p97 s ARG 11 Ca 0.14 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 1p97 s ARG 11 Cb 0.04 0.14 -0.03 0.00 0.52 0.00 0.00 34.95 35.62 1p97 s ARG 11 CO -0.03 -0.07 0.03 -1.01 0.02 0.00 0.00 175.30 174.24 1p97 s HIS 12 N -0.83 1.95 -0.02 -0.53 3.76 0.60 -0.08 115.29 120.14 1p97 s HIS 12 Ca -0.09 -0.98 -0.01 0.00 -0.15 0.00 0.00 55.06 53.83 1p97 s HIS 12 Cb -0.05 -1.52 0.02 0.00 1.11 0.00 0.00 32.58 32.13 1p97 s HIS 12 CO 0.01 0.14 0.04 0.45 -0.85 0.00 0.00 174.74 174.53 1p97 s SER 13 N -3.77 -0.00 0.00 1.40 0.15 -1.26 0.08 113.70 110.29 1p97 s SER 13 Ca 0.16 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1p97 s SER 13 Cb 0.03 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1p97 s SER 13 CO 0.08 -0.07 0.00 0.23 1.20 0.00 0.00 173.24 174.68 1p97 n MET 14 N 3.61 0.00 0.00 5.44 2.81 -1.25 -0.65 117.12 127.09 1p97 n MET 14 Ca -0.20 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.75 1p97 n MET 14 Cb 0.55 0.00 0.27 0.00 -0.71 0.00 0.00 33.22 33.33 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 0.96 0.00 -0.53 7.83 5.68 -1.26 -4.85 116.55 124.38 1p97 n ASP 15 Ca 0.00 0.14 -0.06 0.00 -0.50 0.00 0.00 54.79 54.37 1p97 n ASP 15 Cb 0.00 -0.29 -0.02 0.00 -1.14 0.00 0.00 41.12 39.67 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 -1.29 -0.43 0.24 0.11 0.00 0.18 -4.96 117.12 110.97 1p97 n MET 16 Ca 0.05 0.57 -0.13 0.00 -0.00 0.00 0.00 57.70 58.19 1p97 n MET 16 Cb 0.08 -4.34 -0.07 0.00 0.00 0.00 0.00 33.22 28.90 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 0.00 -0.63 0.00 2.12 2.10 -1.80 -3.38 116.57 114.99 1p97 h LYS 17 Ca -0.13 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1p97 h LYS 17 Cb 0.63 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1p97 h LYS 17 CO 0.17 -0.34 0.00 1.19 -2.00 0.00 0.00 179.45 178.48 1p97 n PHE 18 N -5.23 0.00 0.19 0.07 3.72 -1.16 -0.37 117.46 114.67 1p97 n PHE 18 Ca -0.10 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.33 1p97 n PHE 18 Cb 0.30 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 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 -3.66 4.37 -2.24 0.89 0.60 114.28 114.23 1p97 n THR 19 Ca 0.00 -0.33 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 1p97 n THR 19 Cb 0.00 0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.66 -0.53 -0.01 4.78 5.04 -0.68 -4.75 117.35 119.54 1p97 s TYR 20 Ca 0.01 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.81 1p97 s TYR 20 Cb 0.04 0.23 0.01 0.00 0.35 0.00 0.00 41.96 42.59 1p97 s TYR 20 CO 0.21 -0.38 -0.01 0.00 -1.34 0.00 0.00 175.55 174.03 1p97 s ASP 22 N 0.37 4.83 0.45 0.00 -1.08 0.59 -4.67 116.67 117.17 1p97 s ASP 22 Ca -0.03 2.13 0.12 0.00 -0.52 0.00 0.00 52.55 54.25 1p97 s ASP 22 Cb -0.05 -2.57 1.03 0.00 -1.46 0.00 0.00 42.92 39.87 1p97 s ASP 22 CO -0.01 -1.82 2.05 -0.78 0.52 0.00 0.00 175.17 175.13 1p97 h ASP 23 N -0.01 0.15 -0.05 -0.34 1.82 -2.00 -2.19 116.42 113.80 1p97 h ASP 23 Ca -0.47 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.17 1p97 h ASP 23 Cb 1.26 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 41.23 1p97 h ASP 23 CO 0.53 0.19 0.15 0.03 -1.61 0.00 0.00 179.24 178.53 1p97 h ARG 24 N 0.17 0.00 0.00 0.28 3.08 -1.95 -2.24 114.38 113.72 1p97 h ARG 24 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1p97 h ARG 24 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1p97 h ARG 24 CO 0.00 0.00 -0.04 0.97 -1.07 0.00 0.00 179.97 179.83 1p97 h ILE 25 N 0.00 0.87 -0.81 2.04 2.10 -1.71 0.68 117.51 120.68 1p97 h ILE 25 Ca 0.02 -0.14 0.16 0.00 1.08 0.00 0.00 64.86 65.98 1p97 h ILE 25 Cb 0.32 1.08 -0.06 0.00 -1.09 0.00 0.00 36.82 37.07 1p97 h ILE 25 CO -0.00 0.04 0.54 0.71 -1.08 0.00 0.00 178.15 178.35 1p97 h THR 26 N 0.00 0.79 0.00 2.19 1.35 -1.25 0.30 112.91 116.28 1p97 h THR 26 Ca -0.00 -0.17 -0.04 0.00 -0.55 0.00 0.00 66.41 65.65 1p97 h THR 26 Cb 0.07 0.26 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 1p97 h THR 26 CO 0.00 0.09 -1.18 -0.62 -0.25 0.00 0.00 175.52 173.56 1p97 n GLU 27 N -4.50 0.61 -0.11 4.72 1.02 0.16 -3.45 120.64 119.08 1p97 n GLU 27 Ca 0.16 0.12 -0.19 0.00 -0.02 0.00 0.00 57.16 57.23 1p97 n GLU 27 Cb 0.54 -1.80 -0.07 0.00 -0.02 0.00 0.00 31.44 30.09 1p97 n GLU 27 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1p97 n LEU 28 N -2.69 1.93 -0.31 -4.62 4.77 -0.39 -4.64 117.00 111.05 1p97 n LEU 28 Ca -0.03 0.38 0.07 0.00 -0.03 0.00 0.00 56.01 56.40 1p97 n LEU 28 Cb 0.62 -0.81 -0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1p97 n LEU 28 CO 0.41 0.13 0.23 -0.38 -1.33 0.00 0.00 177.39 176.45 1p97 n ILE 29 N -4.38 0.00 0.00 -0.08 5.41 0.91 -4.96 119.36 116.25 1p97 n ILE 29 Ca -0.33 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.08 1p97 n ILE 29 Cb 0.67 1.16 0.00 0.00 -0.71 0.00 0.00 39.64 40.76 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 1.08 3.02 3.82 7.39 0.00 -0.53 -0.45 105.19 119.51 1p97 n GLY 30 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.96 -3.84 1.61 4.01 -1.26 -4.79 117.16 107.39 1p97 n TYR 31 Ca 0.00 -1.18 -0.32 0.00 -0.16 0.00 0.00 57.90 56.24 1p97 n TYR 31 Cb 0.00 -1.01 -0.04 0.00 -0.31 0.00 0.00 39.34 37.98 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 -3.85 3.52 0.27 -0.72 2.46 -1.26 -2.87 115.29 112.84 1p97 s HIS 32 Ca 0.74 0.37 0.00 0.00 0.47 0.00 0.00 55.06 56.64 1p97 s HIS 32 Cb -0.02 -1.85 0.59 0.00 -0.13 0.00 0.00 32.58 31.17 1p97 s HIS 32 CO 0.52 0.56 1.75 -1.35 -2.47 0.00 0.00 174.74 173.75 1p97 h PRO 33 N 3.20 0.59 0.00 2.88 0.11 -1.83 0.24 132.00 137.18 1p97 h PRO 33 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1p97 h PRO 33 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1p97 h PRO 33 CO 0.73 0.39 0.00 0.93 -0.21 0.00 0.00 178.00 179.84 1p97 h GLU 34 N 0.60 0.00 0.12 1.05 4.39 -1.90 -0.59 114.58 118.26 1p97 h GLU 34 Ca 0.49 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.91 1p97 h GLU 34 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1p97 h GLU 34 CO -0.39 0.00 -1.30 0.93 -1.16 0.00 0.00 179.01 177.09 1p97 h GLU 35 N 0.00 0.26 0.09 2.33 4.39 -0.93 -3.36 114.58 117.36 1p97 h GLU 35 Ca 0.00 -0.45 -0.26 0.00 0.34 0.00 0.00 59.36 58.99 1p97 h GLU 35 Cb 0.48 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1p97 h GLU 35 CO 0.00 1.19 -1.37 -0.07 -1.16 0.00 0.00 179.01 177.60 1p97 h LEU 36 N 0.07 0.30 -8.49 1.33 4.07 -0.98 -3.44 115.31 108.17 1p97 h LEU 36 Ca -0.16 -0.81 -0.37 0.00 0.08 0.00 0.00 57.88 56.63 1p97 h LEU 36 Cb 1.98 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 43.61 1p97 h LEU 36 CO 0.19 1.59 1.18 -1.48 -1.08 0.00 0.00 178.44 178.84 1p97 s LEU 37 N -7.59 3.25 0.00 1.67 0.05 -0.27 -1.35 118.68 114.45 1p97 s LEU 37 Ca -0.22 0.54 0.00 0.00 0.05 0.00 0.00 54.13 54.51 1p97 s LEU 37 Cb 0.04 -2.52 0.00 0.00 -2.05 0.00 0.00 46.19 41.66 1p97 s LEU 37 CO 0.73 -2.95 0.00 0.61 -0.55 0.00 0.00 176.35 174.19 1p97 n GLY 38 N 6.17 1.14 3.30 -3.48 0.00 0.20 -4.89 105.19 107.62 1p97 n GLY 38 Ca 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.21 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 1.26 -0.39 1.61 1.70 -0.46 -5.02 118.95 117.65 1p97 s ARG 39 Ca 0.00 -1.62 -0.29 0.00 -0.47 0.00 0.00 55.73 53.35 1p97 s ARG 39 Cb 0.00 -0.52 0.02 0.00 -0.57 0.00 0.00 34.95 33.88 1p97 s ARG 39 CO 0.00 -0.09 1.15 -1.54 -1.08 0.00 0.00 175.30 173.73 1p97 s SER 40 N -3.26 6.75 0.21 -2.89 1.04 -1.26 -2.99 113.70 111.30 1p97 s SER 40 Ca 0.26 0.82 -0.11 0.00 0.48 0.00 0.00 55.95 57.40 1p97 s SER 40 Cb 0.05 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 63.92 1p97 s SER 40 CO 0.07 -1.09 1.66 0.00 0.98 0.00 0.00 173.24 174.86 1p97 h ALA 41 N 8.84 0.59 0.00 5.32 0.00 -0.88 -2.73 119.26 130.40 1p97 h ALA 41 Ca -0.23 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1p97 h ALA 41 Cb 1.07 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1p97 h ALA 41 CO 1.08 -0.40 0.12 0.66 0.00 0.00 0.00 179.25 180.70 1p97 n TYR 42 N -5.29 0.07 1.45 0.00 4.01 -1.26 0.51 117.16 116.65 1p97 n TYR 42 Ca 0.09 0.04 0.14 0.00 -0.16 0.00 0.00 57.90 58.01 1p97 n TYR 42 Cb 0.35 -0.45 0.75 0.00 -0.31 0.00 0.00 39.34 39.68 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 0.52 0.00 -0.72 1.02 -1.03 -4.04 120.64 114.90 1p97 n GLU 43 Ca -0.00 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1p97 n GLU 43 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.22 0.00 -0.85 -0.32 -1.74 0.76 -5.01 117.46 109.08 1p97 n PHE 44 Ca 0.15 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.61 1p97 n PHE 44 Cb 0.20 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.12 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 1.04 -0.73 2.97 9.36 0.18 -3.02 117.16 126.96 1p97 n TYR 45 Ca 0.00 -1.23 0.00 0.00 3.32 0.00 0.00 57.90 59.99 1p97 n TYR 45 Cb 0.02 -1.28 0.00 0.00 -0.63 0.00 0.00 39.34 37.45 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 8.04 -1.89 -0.04 2.98 8.25 -1.25 -4.22 115.22 127.10 1p97 n HIS 46 Ca 0.48 0.98 -0.01 0.00 -0.26 0.00 0.00 57.72 58.91 1p97 n HIS 46 Cb 0.40 -2.35 -0.00 0.00 1.12 0.00 0.00 29.99 29.16 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 1.17 0.00 0.00 -1.41 0.00 -1.82 -3.28 119.26 113.92 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 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1p97 h ALA 47 CO 0.00 0.13 -1.01 1.47 0.00 0.00 0.00 179.25 179.83 1p97 n LEU 48 N -3.78 0.66 -0.95 0.00 -0.00 -1.26 -4.11 117.00 107.56 1p97 n LEU 48 Ca -0.02 0.16 0.12 0.00 -0.00 0.00 0.00 56.01 56.27 1p97 n LEU 48 Cb 0.07 -0.09 0.10 0.00 -0.00 0.00 0.00 43.42 43.49 1p97 n LEU 48 CO 0.03 -0.06 0.62 -0.67 -0.00 0.00 0.00 177.39 177.31 1p97 n ASP 49 N -2.27 2.98 -0.17 1.45 2.03 -1.26 -4.29 116.55 115.02 1p97 n ASP 49 Ca 0.01 -1.99 0.03 0.00 0.52 0.00 0.00 54.79 53.36 1p97 n ASP 49 Cb 0.49 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 41.20 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 4.67 0.73 -0.63 1.67 0.87 -1.71 -1.60 113.55 117.55 1p97 h SER 50 Ca 0.00 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1p97 h SER 50 Cb 0.99 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 1p97 h SER 50 CO 0.00 0.51 0.35 -0.08 -0.53 0.00 0.00 176.83 177.08 1p97 h GLU 51 N 0.85 0.63 -0.77 2.24 4.81 -1.88 0.47 114.58 120.94 1p97 h GLU 51 Ca 0.27 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1p97 h GLU 51 Cb 0.03 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 1p97 h GLU 51 CO -0.07 0.42 0.48 -0.91 -0.73 0.00 0.00 179.01 178.20 1p97 h ASN 52 N 0.65 0.79 0.81 1.04 4.21 -1.59 0.67 115.58 122.16 1p97 h ASN 52 Ca 0.28 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.68 1p97 h ASN 52 Cb 0.16 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1p97 h ASN 52 CO -0.17 0.53 -0.55 -0.03 -1.29 0.00 0.00 177.43 175.93 1p97 h MET 53 N 0.93 0.00 -0.62 0.81 4.05 -1.24 -2.83 114.93 116.03 1p97 h MET 53 Ca 0.32 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 1p97 h MET 53 Cb 0.05 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 1p97 h MET 53 CO -0.13 0.55 0.40 1.15 0.23 0.00 0.00 176.91 179.11 1p97 h THR 54 N 0.00 1.16 -0.76 -0.77 2.02 0.19 -0.05 112.91 114.71 1p97 h THR 54 Ca -0.01 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 66.94 1p97 h THR 54 Cb 1.10 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 1p97 h THR 54 CO 0.07 0.16 0.50 0.11 0.37 0.00 0.00 175.52 176.73 1p97 h LYS 55 N 0.84 0.73 -0.56 6.66 6.56 -0.80 -0.84 116.57 129.17 1p97 h LYS 55 Ca 0.23 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.69 1p97 h LYS 55 Cb -0.08 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.39 1p97 h LYS 55 CO -0.05 0.49 0.05 1.03 -2.06 0.00 0.00 179.45 178.90 1p97 h SER 56 N 0.76 0.93 -0.50 0.86 0.87 -0.87 0.17 113.55 115.77 1p97 h SER 56 Ca 0.34 -0.28 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 1p97 h SER 56 Cb 0.33 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1p97 h SER 56 CO -0.12 0.99 0.01 -0.74 -0.53 0.00 0.00 176.83 176.44 1p97 h HIS 57 N 0.85 1.00 0.00 2.24 -0.00 -0.26 0.64 115.15 119.62 1p97 h HIS 57 Ca 0.16 -0.15 -0.08 0.00 -0.00 0.00 0.00 60.37 60.30 1p97 h HIS 57 Cb 0.48 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1p97 h HIS 57 CO 0.04 0.89 -0.38 1.96 -0.00 0.00 0.00 177.93 180.44 1p97 h GLN 58 N 0.86 0.00 0.00 5.26 1.08 -0.78 -2.22 115.11 119.31 1p97 h GLN 58 Ca 0.16 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.28 1p97 h GLN 58 Cb 0.49 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1p97 h GLN 58 CO 0.02 0.38 -0.43 -0.97 -0.95 0.00 0.00 178.83 176.89 1p97 h ASN 59 N 0.00 0.00 0.61 1.46 -1.24 -0.06 -3.37 115.58 112.99 1p97 h ASN 59 Ca -0.00 -0.77 -0.04 0.00 0.71 0.00 0.00 56.30 56.19 1p97 h ASN 59 Cb 0.73 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.77 1p97 h ASN 59 CO 0.05 1.14 -0.19 0.25 -1.29 0.00 0.00 177.43 177.39 1p97 h LEU 60 N -1.00 0.00 -2.58 0.34 5.85 0.25 -2.69 115.31 115.48 1p97 h LEU 60 Ca -0.12 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1p97 h LEU 60 Cb 1.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1p97 h LEU 60 CO -0.07 0.19 0.04 0.00 -0.34 0.00 0.00 178.44 178.26 1p97 n THR 62 N -3.58 0.10 0.00 0.00 -1.04 -1.09 -4.80 114.28 103.88 1p97 n THR 62 Ca -0.02 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 1p97 n THR 62 Cb 0.12 0.86 0.00 0.00 -1.82 0.00 0.00 70.33 69.49 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 0.14 2.75 -0.39 -2.82 4.76 -1.03 -5.01 118.16 116.55 1p97 n LYS 63 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1p97 n LYS 63 Cb 0.96 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 2.66 1.90 3.60 0.72 0.00 -1.15 -4.93 105.19 107.98 1p97 n GLY 64 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.05 0.77 -0.11 1.61 -0.44 -1.26 -3.54 119.66 116.64 1p97 s GLN 65 Ca 0.00 0.58 -0.18 0.00 -2.50 0.00 0.00 55.36 53.26 1p97 s GLN 65 Cb 0.00 0.37 0.04 0.00 -1.64 0.00 0.00 33.01 31.78 1p97 s GLN 65 CO 0.00 -0.16 0.46 0.54 0.50 0.00 0.00 175.29 176.63 1p97 s VAL 66 N -0.27 0.02 -0.44 1.34 0.11 0.41 -4.72 120.40 116.84 1p97 s VAL 66 Ca -0.02 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 58.91 1p97 s VAL 66 Cb -0.03 -0.71 0.13 0.00 -1.53 0.00 0.00 36.38 34.24 1p97 s VAL 66 CO 0.01 -0.08 0.21 -0.69 -3.33 0.00 0.00 175.10 171.22 1p97 s VAL 67 N -0.46 1.86 0.52 2.04 1.01 -1.26 -0.02 120.40 124.09 1p97 s VAL 67 Ca -0.06 -2.68 -0.12 0.00 0.00 0.00 0.00 61.98 59.12 1p97 s VAL 67 Cb -0.03 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1p97 s VAL 67 CO 0.03 -0.80 0.94 -0.44 0.00 0.00 0.00 175.10 174.83 1p97 s SER 68 N 0.33 6.44 0.00 3.32 0.01 -0.56 -5.01 113.70 118.22 1p97 s SER 68 Ca 0.16 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.79 1p97 s SER 68 Cb -0.24 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1p97 s SER 68 CO -0.03 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.58 1p97 n GLY 69 N -1.98 2.21 3.49 3.44 0.00 -1.26 -3.18 105.19 107.92 1p97 n GLY 69 Ca 0.05 -2.10 -0.52 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.54 1.16 -4.20 1.61 6.02 -1.20 -4.27 117.38 115.96 1p97 n GLN 70 Ca 0.00 0.35 -0.26 0.00 -0.01 0.00 0.00 57.00 57.08 1p97 n GLN 70 Cb 0.00 -2.42 -0.07 0.00 1.02 0.00 0.00 30.24 28.78 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 6.54 2.41 -0.47 1.08 -0.85 0.11 -4.82 117.35 121.35 1p97 s TYR 71 Ca 1.07 -0.66 -0.14 0.00 -0.52 0.00 0.00 57.07 56.82 1p97 s TYR 71 Cb -0.88 -1.91 0.09 0.00 0.38 0.00 0.00 41.96 39.64 1p97 s TYR 71 CO 0.52 0.13 0.38 1.03 -1.52 0.00 0.00 175.55 176.09 1p97 s ARG 72 N -3.93 2.87 -0.13 -3.49 0.52 -1.26 -1.69 118.95 111.85 1p97 s ARG 72 Ca 0.36 -1.47 -0.08 0.00 -0.52 0.00 0.00 55.73 54.03 1p97 s ARG 72 Cb 0.03 -4.08 -0.04 0.00 0.52 0.00 0.00 34.95 31.38 1p97 s ARG 72 CO 0.20 -1.08 0.15 1.41 0.02 0.00 0.00 175.30 176.00 1p97 s MET 73 N 1.57 3.59 -0.03 3.54 1.75 0.59 -3.77 119.30 126.53 1p97 s MET 73 Ca 0.04 -0.12 -0.30 0.00 -1.25 0.00 0.00 55.69 54.06 1p97 s MET 73 Cb -0.25 -3.23 -0.04 0.00 2.84 0.00 0.00 34.83 34.15 1p97 s MET 73 CO 0.05 0.69 1.30 -1.17 -0.65 0.00 0.00 175.02 175.24 1p97 s LEU 74 N -0.80 4.29 0.59 4.11 2.96 -1.17 -1.16 118.68 127.50 1p97 s LEU 74 Ca 0.14 1.95 -0.05 0.00 -0.22 0.00 0.00 54.13 55.96 1p97 s LEU 74 Cb -0.12 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.03 1p97 s LEU 74 CO 0.03 -0.65 0.88 0.00 -1.32 0.00 0.00 176.35 175.29 1p97 s ALA 75 N 2.33 3.39 0.33 5.97 0.00 0.94 -4.87 121.76 129.85 1p97 s ALA 75 Ca 0.60 -0.84 0.11 0.00 0.00 0.00 0.00 51.96 51.83 1p97 s ALA 75 Cb -0.28 -2.49 1.03 0.00 0.00 0.00 0.00 23.12 21.38 1p97 s ALA 75 CO 0.24 -0.82 1.60 -0.22 0.00 0.00 0.00 175.76 176.56 1p97 h LYS 76 N -0.14 0.07 -1.01 0.00 3.64 -1.09 0.34 116.57 118.39 1p97 h LYS 76 Ca -0.45 -0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.40 1p97 h LYS 76 Cb 1.27 -0.02 -0.30 0.00 -0.41 0.00 0.00 32.23 32.78 1p97 h LYS 76 CO 0.59 0.05 0.67 -2.39 -2.27 0.00 0.00 179.45 176.11 1p97 n HIS 77 N -5.30 3.00 -1.24 1.91 1.44 -1.26 -4.80 115.22 108.97 1p97 n HIS 77 Ca 0.30 -2.00 -0.08 0.00 -2.01 0.00 0.00 57.72 53.93 1p97 n HIS 77 Cb 0.99 -1.01 -0.04 0.00 0.12 0.00 0.00 29.99 30.06 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 -1.05 1.02 3.85 -1.39 0.00 0.09 -5.01 105.19 102.70 1p97 n GLY 78 Ca 0.58 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.91 1.61 -0.06 -0.02 0.00 -1.10 -4.74 107.32 100.10 1p97 s GLY 79 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.00 1p97 s GLY 79 CO 0.00 -0.13 0.02 -0.19 0.00 0.00 0.00 173.10 172.80 1p97 s TYR 80 N -3.50 0.45 0.07 1.90 2.02 -1.26 -0.04 117.35 116.99 1p97 s TYR 80 Ca 0.65 -0.02 0.08 0.00 -0.37 0.00 0.00 57.07 57.41 1p97 s TYR 80 Cb -0.11 -0.65 -0.03 0.00 -0.40 0.00 0.00 41.96 40.77 1p97 s TYR 80 CO 0.51 -0.25 -0.22 0.14 -1.57 0.00 0.00 175.55 174.16 1p97 s VAL 81 N 1.84 1.76 -0.21 0.71 -7.23 -0.31 0.63 120.40 117.58 1p97 s VAL 81 Ca 0.02 -1.36 -0.18 0.00 -1.81 0.00 0.00 61.98 58.65 1p97 s VAL 81 Cb -0.12 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1p97 s VAL 81 CO -0.04 0.13 0.51 0.26 -0.31 0.00 0.00 175.10 175.65 1p97 s TRP 82 N -0.93 3.35 0.18 2.82 0.52 -1.20 -0.30 118.94 123.38 1p97 s TRP 82 Ca 0.08 0.73 0.03 0.00 0.02 0.00 0.00 56.10 56.95 1p97 s TRP 82 Cb -0.09 -2.67 -0.05 0.00 -1.15 0.00 0.00 33.47 29.51 1p97 s TRP 82 CO 0.03 -0.14 -0.01 -0.51 0.02 0.00 0.00 176.95 176.34 1p97 s LEU 83 N 1.77 2.19 -0.04 2.99 1.02 -0.68 -0.89 118.68 125.04 1p97 s LEU 83 Ca 0.23 -1.17 0.06 0.00 0.02 0.00 0.00 54.13 53.28 1p97 s LEU 83 Cb -0.15 -0.15 -0.01 0.00 0.02 0.00 0.00 46.19 45.90 1p97 s LEU 83 CO 0.09 -0.53 -0.23 -0.70 0.02 0.00 0.00 176.35 175.01 1p97 s GLU 84 N -3.88 2.20 -0.32 1.70 2.12 -0.08 0.06 118.70 120.50 1p97 s GLU 84 Ca 0.24 -0.83 -0.06 0.00 0.36 0.00 0.00 54.97 54.68 1p97 s GLU 84 Cb 0.06 -1.95 0.03 0.00 0.26 0.00 0.00 34.13 32.52 1p97 s GLU 84 CO 0.05 0.39 0.08 0.99 -0.54 0.00 0.00 175.26 176.23 1p97 s THR 85 N -0.25 3.78 -0.71 -1.70 2.01 -1.19 -0.94 115.64 116.64 1p97 s THR 85 Ca 0.00 -0.96 -0.25 0.00 0.31 0.00 0.00 61.69 60.79 1p97 s THR 85 Cb -0.12 -3.05 0.05 0.00 0.01 0.00 0.00 72.50 69.39 1p97 s THR 85 CO 0.02 -0.06 1.15 -1.58 -0.69 0.00 0.00 174.62 173.46 1p97 s GLN 86 N 1.43 3.17 0.00 4.92 0.74 -0.90 -1.50 119.66 127.52 1p97 s GLN 86 Ca -0.00 -0.53 -0.01 0.00 0.05 0.00 0.00 55.36 54.87 1p97 s GLN 86 Cb -0.18 -4.23 -0.04 0.00 1.10 0.00 0.00 33.01 29.65 1p97 s GLN 86 CO 0.02 -2.00 0.12 0.20 -0.55 0.00 0.00 175.29 173.08 1p97 s GLY 87 N 3.74 2.08 -0.22 2.59 0.00 0.97 -2.04 107.32 114.43 1p97 s GLY 87 Ca 0.30 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 44.11 1p97 s GLY 87 CO 0.12 -0.73 0.45 -1.59 0.00 0.00 0.00 173.10 171.35 1p97 s THR 88 N -1.27 -0.71 -0.38 0.90 2.01 -0.51 -0.44 115.64 115.24 1p97 s THR 88 Ca 0.25 0.12 -0.25 0.00 0.31 0.00 0.00 61.69 62.12 1p97 s THR 88 Cb -0.12 -0.73 0.02 0.00 0.01 0.00 0.00 72.50 71.67 1p97 s THR 88 CO 0.17 0.04 0.89 -0.69 -0.69 0.00 0.00 174.62 174.34 1p97 s VAL 89 N 2.65 4.60 -0.45 3.82 1.01 -1.23 0.16 120.40 130.97 1p97 s VAL 89 Ca -0.00 1.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.76 1p97 s VAL 89 Cb -0.12 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 31.96 1p97 s VAL 89 CO -0.14 -0.56 1.01 -0.51 0.00 0.00 0.00 175.10 174.90 1p97 s ILE 90 N 3.43 4.39 0.40 2.22 2.07 0.36 -4.77 121.20 129.30 1p97 s ILE 90 Ca 0.36 1.02 -0.12 0.00 -1.41 0.00 0.00 60.65 60.51 1p97 s ILE 90 Cb -0.12 -4.48 -0.07 0.00 0.13 0.00 0.00 42.46 37.92 1p97 s ILE 90 CO 0.19 -0.85 0.78 -0.31 -1.91 0.00 0.00 174.94 172.85 1p97 s TYR 91 N 3.97 3.45 0.33 3.50 2.02 -1.26 -0.71 117.35 128.66 1p97 s TYR 91 Ca 0.42 1.10 -0.29 0.00 -0.37 0.00 0.00 57.07 57.93 1p97 s TYR 91 Cb -0.09 -2.48 -0.10 0.00 -0.40 0.00 0.00 41.96 38.88 1p97 s TYR 91 CO 0.27 -0.09 1.37 -0.80 -1.57 0.00 0.00 175.55 174.72 1p97 s ASN 92 N -3.01 6.66 0.07 2.29 -0.87 0.39 -4.66 114.94 115.82 1p97 s ASN 92 Ca 0.52 2.77 -0.26 0.00 -1.57 0.00 0.00 52.86 54.33 1p97 s ASN 92 Cb -0.10 -2.65 -0.16 0.00 -0.02 0.00 0.00 41.25 38.31 1p97 s ASN 92 CO 0.29 -0.64 1.66 -0.65 -2.57 0.00 0.00 177.10 175.19 1p97 h PRO 93 N 3.51 -0.25 0.07 -0.60 0.11 -1.95 0.20 132.00 133.08 1p97 h PRO 93 Ca -0.49 0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1p97 h PRO 93 Cb 1.23 0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.41 1p97 h PRO 93 CO 0.67 -0.14 -0.65 0.00 -0.21 0.00 0.00 178.00 177.67 1p97 h ARG 94 N -0.31 0.32 0.00 1.05 3.08 -1.99 -3.34 114.38 113.19 1p97 h ARG 94 Ca -0.03 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1p97 h ARG 94 Cb 0.24 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1p97 h ARG 94 CO 0.04 1.15 -1.31 0.09 -1.07 0.00 0.00 179.97 178.87 1p97 n ASN 95 N -4.21 0.51 -0.90 7.04 4.13 -1.25 -4.95 115.26 115.62 1p97 n ASN 95 Ca -0.12 -0.06 -0.08 0.00 1.68 0.00 0.00 54.58 56.01 1p97 n ASN 95 Cb 0.72 1.08 -0.03 0.00 -1.54 0.00 0.00 39.78 40.02 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 -2.20 -0.38 -4.86 3.41 4.77 0.69 -4.91 117.00 113.52 1p97 n LEU 96 Ca -0.00 0.19 -0.30 0.00 -0.03 0.00 0.00 56.01 55.86 1p97 n LEU 96 Cb 0.50 -1.68 0.06 0.00 -2.33 0.00 0.00 43.42 39.96 1p97 n LEU 96 CO 0.42 -0.56 0.74 0.00 -1.33 0.00 0.00 177.39 176.66 1p97 s GLN 97 N -2.33 2.65 -0.52 3.23 1.03 -1.26 -4.54 119.66 117.92 1p97 s GLN 97 Ca 0.00 0.55 -0.26 0.00 0.04 0.00 0.00 55.36 55.69 1p97 s GLN 97 Cb 0.00 -1.99 -0.07 0.00 0.03 0.00 0.00 33.01 30.98 1p97 s GLN 97 CO 0.00 -1.20 2.40 -1.25 -2.54 0.00 0.00 175.29 172.70 1p97 s PRO 98 N -5.28 2.05 0.02 9.60 0.04 -1.26 -0.46 135.00 139.71 1p97 s PRO 98 Ca 0.59 1.31 -0.20 0.00 0.04 0.00 0.00 61.00 62.74 1p97 s PRO 98 Cb -0.12 -4.60 -0.18 0.00 0.04 0.00 0.00 34.50 29.63 1p97 s PRO 98 CO 0.53 -3.39 1.21 0.37 0.04 0.00 0.00 177.00 175.76 1p97 h GLN 99 N 18.93 0.40 -2.84 4.56 5.75 -1.18 -3.31 115.11 137.41 1p97 h GLN 99 Ca -0.22 -0.31 0.08 0.00 -0.15 0.00 0.00 58.65 58.05 1p97 h GLN 99 Cb 1.24 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.78 1p97 h GLN 99 CO 1.15 0.94 0.29 0.00 -2.65 0.00 0.00 178.83 178.56 1p97 s ILE 101 N -3.74 2.72 -0.36 0.00 1.09 0.11 -0.49 121.20 120.53 1p97 s ILE 101 Ca 0.10 -0.79 -0.08 0.00 -1.10 0.00 0.00 60.65 58.77 1p97 s ILE 101 Cb -0.04 -2.10 0.04 0.00 -1.06 0.00 0.00 42.46 39.30 1p97 s ILE 101 CO 0.03 0.54 0.16 -0.04 -0.10 0.00 0.00 174.94 175.53 1p97 s MET 102 N 0.22 2.69 -0.19 2.79 -1.94 0.12 -0.29 119.30 122.71 1p97 s MET 102 Ca -0.11 -1.16 -0.01 0.00 -1.71 0.00 0.00 55.69 52.70 1p97 s MET 102 Cb -0.16 -3.59 0.00 0.00 2.01 0.00 0.00 34.83 33.09 1p97 s MET 102 CO 0.06 -0.70 -0.12 0.00 -0.01 0.00 0.00 175.02 174.25 1p97 s VAL 104 N 1.17 5.12 -0.53 0.00 1.01 -0.87 -0.22 120.40 126.09 1p97 s VAL 104 Ca 0.02 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1p97 s VAL 104 Cb -0.14 -3.85 0.11 0.00 0.00 0.00 0.00 36.38 32.50 1p97 s VAL 104 CO -0.04 -0.10 0.48 0.20 0.00 0.00 0.00 175.10 175.64 1p97 s ASN 105 N 1.73 6.18 -0.59 3.32 0.01 -0.65 -2.12 114.94 122.83 1p97 s ASN 105 Ca 0.14 -1.66 -0.26 0.00 -0.71 0.00 0.00 52.86 50.37 1p97 s ASN 105 Cb -0.16 -2.21 0.04 0.00 0.41 0.00 0.00 41.25 39.33 1p97 s ASN 105 CO 0.12 -0.82 1.10 -0.31 -1.51 0.00 0.00 177.10 175.68 1p97 s TYR 106 N 1.66 2.65 -0.64 2.20 2.02 -0.12 -2.44 117.35 122.68 1p97 s TYR 106 Ca 0.04 0.18 -0.27 0.00 -0.37 0.00 0.00 57.07 56.65 1p97 s TYR 106 Cb -0.28 -4.36 -0.01 0.00 -0.40 0.00 0.00 41.96 36.92 1p97 s TYR 106 CO 0.04 -1.55 1.69 0.08 -1.57 0.00 0.00 175.55 174.25 1p97 s VAL 107 N 4.62 3.46 -0.01 0.71 1.01 -0.81 -0.91 120.40 128.47 1p97 s VAL 107 Ca 0.37 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.61 1p97 s VAL 107 Cb -0.10 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 1p97 s VAL 107 CO 0.22 -1.17 -0.01 0.18 0.00 0.00 0.00 175.10 174.31 1p97 n LEU 108 N 11.76 0.14 -4.92 3.92 4.77 -0.07 -4.65 117.00 127.95 1p97 n LEU 108 Ca 0.15 0.25 -0.27 0.00 -0.03 0.00 0.00 56.01 56.12 1p97 n LEU 108 Cb 0.51 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1p97 n LEU 108 CO 0.71 -0.50 0.18 -0.44 -1.33 0.00 0.00 177.39 176.01 1p97 s SER 109 N -3.72 6.38 0.71 -1.43 0.01 -0.87 -4.99 113.70 109.79 1p97 s SER 109 Ca -0.01 0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1p97 s SER 109 Cb 0.00 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1p97 s SER 109 CO 0.02 -0.22 0.00 -1.84 0.41 0.00 0.00 173.24 171.61 1p97 n GLU 110 N -1.22 0.34 -2.05 12.44 0.00 -1.26 -3.25 120.64 125.64 1p97 n GLU 110 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.70 1p97 n GLU 110 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.96 1p97 n GLU 110 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1p97 s ILE 111 N -0.48 3.62 -1.16 3.84 1.01 -1.26 -4.26 121.20 122.52 1p97 s ILE 111 Ca 0.00 0.71 -0.12 0.00 0.00 0.00 0.00 60.65 61.24 1p97 s ILE 111 Cb 0.00 -3.60 0.21 0.00 0.01 0.00 0.00 42.46 39.08 1p97 s ILE 111 CO 0.00 -0.22 1.29 -0.70 0.00 0.00 0.00 174.94 175.32 1p97 s GLU 112 N 4.62 4.11 -1.02 2.79 2.12 0.20 -4.95 118.70 126.57 1p97 s GLU 112 Ca 0.74 -2.80 -0.17 0.00 0.36 0.00 0.00 54.97 53.09 1p97 s GLU 112 Cb -0.28 -4.86 0.14 0.00 0.26 0.00 0.00 34.13 29.40 1p97 s GLU 112 CO 0.30 -1.56 1.24 -1.59 -0.54 0.00 0.00 175.26 173.10 1p97 s LYS 113 N 0.51 3.76 0.00 4.30 0.00 -1.26 -4.12 119.74 122.93 1p97 s LYS 113 Ca 0.38 -2.02 0.00 0.00 0.00 0.00 0.00 55.97 54.32 1p97 s LYS 113 Cb -0.06 -4.98 0.00 0.00 0.00 0.00 0.00 37.83 32.80 1p97 s LYS 113 CO -0.03 -1.78 0.00 0.09 0.00 0.00 0.00 175.35 173.63