#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p97 h ALA 2 N 0.00 0.01 0.08 4.61 0.00 -2.07 -3.41 119.26 118.48 1p97 h ALA 2 Ca 0.00 -0.27 -0.31 0.00 0.00 0.00 0.00 54.91 54.32 1p97 h ALA 2 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1p97 h ALA 2 CO 0.00 0.25 -1.68 0.52 0.00 0.00 0.00 179.25 178.34 1p97 h MET 3 N -1.00 0.17 -6.31 0.00 0.00 -2.08 -3.43 114.93 102.28 1p97 h MET 3 Ca -0.01 -0.29 -0.58 0.00 0.00 0.00 0.00 59.70 58.82 1p97 h MET 3 Cb 0.29 0.11 -0.08 0.00 0.00 0.00 0.00 31.60 31.91 1p97 h MET 3 CO -0.01 0.95 0.73 0.16 0.00 0.00 0.00 176.91 178.74 1p97 s ASP 4 N -6.72 6.67 0.00 1.22 -4.77 -1.26 -4.79 116.67 107.02 1p97 s ASP 4 Ca -0.11 0.52 0.00 0.00 -3.30 0.00 0.00 52.55 49.67 1p97 s ASP 4 Cb 0.07 -2.50 0.00 0.00 -1.09 0.00 0.00 42.92 39.40 1p97 s ASP 4 CO 0.82 -1.01 0.00 -1.20 0.70 0.00 0.00 175.17 174.48 1p97 n SER 5 N 7.17 3.61 -3.09 2.11 7.64 -1.26 0.13 113.62 129.93 1p97 n SER 5 Ca 0.09 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.78 1p97 n SER 5 Cb 0.48 0.68 0.02 0.00 -1.01 0.00 0.00 64.21 64.39 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 -1.14 -2.23 -4.46 1.43 5.02 -1.26 -3.37 118.16 112.15 1p97 n LYS 6 Ca 0.00 1.88 -0.26 0.00 -2.02 0.00 0.00 58.31 57.91 1p97 n LYS 6 Cb 0.04 -4.34 -0.17 0.00 -0.02 0.00 0.00 35.03 30.54 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 -2.17 1.26 -0.04 -0.18 2.01 -1.25 -0.45 115.64 114.82 1p97 s THR 7 Ca 0.29 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.82 1p97 s THR 7 Cb -0.06 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.28 1p97 s THR 7 CO 0.80 0.39 -0.17 0.72 -0.69 0.00 0.00 174.62 175.68 1p97 s PHE 8 N 0.92 1.67 -0.43 4.92 -0.71 -1.01 -4.96 117.98 118.37 1p97 s PHE 8 Ca -0.09 -0.49 -0.27 0.00 -1.04 0.00 0.00 56.93 55.05 1p97 s PHE 8 Cb -0.15 -1.13 0.02 0.00 -1.21 0.00 0.00 43.02 40.55 1p97 s PHE 8 CO 0.00 -0.17 0.99 -1.17 -1.34 0.00 0.00 175.22 173.54 1p97 s LEU 9 N 0.08 3.90 0.42 -1.99 1.98 -1.26 -2.78 118.68 119.02 1p97 s LEU 9 Ca -0.04 0.40 0.07 0.00 -2.89 0.00 0.00 54.13 51.67 1p97 s LEU 9 Cb -0.12 -3.33 -0.03 0.00 0.66 0.00 0.00 46.19 43.37 1p97 s LEU 9 CO 0.02 -1.04 0.31 -0.94 -1.89 0.00 0.00 176.35 172.81 1p97 s SER 10 N 2.17 4.81 -0.04 3.68 1.04 -0.19 -1.26 113.70 123.91 1p97 s SER 10 Ca 0.41 -0.88 -0.18 0.00 0.48 0.00 0.00 55.95 55.78 1p97 s SER 10 Cb -0.10 -0.52 0.03 0.00 0.10 0.00 0.00 66.02 65.54 1p97 s SER 10 CO 0.25 -0.62 0.40 0.00 0.98 0.00 0.00 173.24 174.25 1p97 s ARG 11 N -4.05 0.73 0.45 4.02 1.70 0.17 -0.38 118.95 121.60 1p97 s ARG 11 Ca 0.45 -0.02 0.03 0.00 -0.47 0.00 0.00 55.73 55.73 1p97 s ARG 11 Cb -0.01 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 1p97 s ARG 11 CO 0.26 -0.20 0.04 -1.01 -1.08 0.00 0.00 175.30 173.30 1p97 s HIS 12 N -1.14 1.98 -0.03 5.89 3.76 0.88 -0.50 115.29 126.13 1p97 s HIS 12 Ca -0.12 -0.97 -0.01 0.00 -0.15 0.00 0.00 55.06 53.81 1p97 s HIS 12 Cb -0.04 -1.52 0.03 0.00 1.11 0.00 0.00 32.58 32.16 1p97 s HIS 12 CO 0.05 0.14 0.06 0.45 -0.85 0.00 0.00 174.74 174.59 1p97 s SER 13 N -3.76 -0.00 0.00 1.40 0.15 -1.26 -0.13 113.70 110.10 1p97 s SER 13 Ca 0.18 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1p97 s SER 13 Cb 0.04 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1p97 s SER 13 CO 0.09 -0.11 0.00 0.23 1.20 0.00 0.00 173.24 174.66 1p97 n MET 14 N 3.91 0.00 0.00 5.44 2.81 -1.22 -0.98 117.12 127.08 1p97 n MET 14 Ca -0.24 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.70 1p97 n MET 14 Cb 0.53 0.00 0.21 0.00 -0.71 0.00 0.00 33.22 33.25 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 0.51 0.00 -1.18 7.83 5.75 -1.26 -4.86 116.55 123.34 1p97 n ASP 15 Ca 0.00 0.38 -0.09 0.00 -0.01 0.00 0.00 54.79 55.07 1p97 n ASP 15 Cb 0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 1p97 n ASP 15 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1p97 n MET 16 N -1.43 -1.29 0.07 0.11 0.00 -0.16 -4.97 117.12 109.45 1p97 n MET 16 Ca 0.03 0.41 -0.04 0.00 -0.00 0.00 0.00 57.70 58.10 1p97 n MET 16 Cb 0.10 -4.31 -0.02 0.00 0.00 0.00 0.00 33.22 28.99 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 -0.25 -0.26 0.00 2.12 2.10 -1.83 -3.39 116.57 115.05 1p97 h LYS 17 Ca -0.22 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1p97 h LYS 17 Cb 1.16 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1p97 h LYS 17 CO 0.24 -0.18 0.00 1.19 -2.00 0.00 0.00 179.45 178.71 1p97 n PHE 18 N -4.86 0.00 0.16 0.07 3.72 -1.25 -2.63 117.46 112.66 1p97 n PHE 18 Ca -0.03 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.39 1p97 n PHE 18 Cb 0.11 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.61 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 0.34 0.31 114.28 113.33 1p97 n THR 19 Ca 0.00 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1p97 n THR 19 Cb 0.00 0.76 -0.10 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.84 -0.43 -0.03 4.78 5.04 -0.69 -4.79 117.35 119.38 1p97 s TYR 20 Ca 0.00 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 1p97 s TYR 20 Cb 0.04 0.16 0.03 0.00 0.35 0.00 0.00 41.96 42.53 1p97 s TYR 20 CO 0.23 -0.25 -0.01 0.00 -1.34 0.00 0.00 175.55 174.17 1p97 s ASP 22 N 1.03 5.24 0.58 0.00 -1.08 -0.39 -4.72 116.67 117.34 1p97 s ASP 22 Ca -0.10 2.40 0.32 0.00 -0.52 0.00 0.00 52.55 54.65 1p97 s ASP 22 Cb -0.14 -2.60 1.79 0.00 -1.46 0.00 0.00 42.92 40.51 1p97 s ASP 22 CO -0.01 -1.56 2.20 0.44 0.52 0.00 0.00 175.17 176.76 1p97 h ASP 23 N 0.97 0.00 -0.13 -0.34 3.32 -2.00 -1.97 116.42 116.28 1p97 h ASP 23 Ca -0.50 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.58 1p97 h ASP 23 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1p97 h ASP 23 CO 0.55 0.04 0.18 0.03 -1.72 0.00 0.00 179.24 178.33 1p97 h ARG 24 N 0.00 0.00 0.00 3.56 2.47 -1.94 -2.44 114.38 116.03 1p97 h ARG 24 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1p97 h ARG 24 Cb 0.15 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1p97 h ARG 24 CO 0.01 0.00 -0.10 0.97 0.56 0.00 0.00 179.97 181.41 1p97 h ILE 25 N 0.00 1.05 -0.78 2.04 2.10 -1.68 0.43 117.51 120.67 1p97 h ILE 25 Ca 0.06 -0.35 0.14 0.00 1.08 0.00 0.00 64.86 65.80 1p97 h ILE 25 Cb 0.42 1.19 -0.05 0.00 -1.09 0.00 0.00 36.82 37.28 1p97 h ILE 25 CO -0.00 0.10 0.52 0.71 -1.08 0.00 0.00 178.15 178.39 1p97 h THR 26 N 0.00 0.82 0.00 2.19 1.35 -1.35 0.35 112.91 116.27 1p97 h THR 26 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1p97 h THR 26 Cb 0.18 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1p97 h THR 26 CO 0.01 0.09 -1.11 -0.62 -0.25 0.00 0.00 175.52 173.64 1p97 n GLU 27 N -4.50 0.48 -0.11 4.72 1.02 0.06 -3.46 120.64 118.85 1p97 n GLU 27 Ca 0.15 0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 57.15 1p97 n GLU 27 Cb 0.50 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 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 -2.32 1.93 -0.26 -4.62 4.77 -0.41 -4.67 117.00 111.43 1p97 n LEU 28 Ca 0.00 0.37 0.07 0.00 -0.03 0.00 0.00 56.01 56.42 1p97 n LEU 28 Cb 0.50 -0.79 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1p97 n LEU 28 CO 0.41 0.05 0.18 -0.38 -1.33 0.00 0.00 177.39 176.32 1p97 n ILE 29 N -4.40 0.00 0.00 -0.08 5.41 0.11 -4.97 119.36 115.44 1p97 n ILE 29 Ca -0.29 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.16 1p97 n ILE 29 Cb 0.64 1.13 0.00 0.00 -0.71 0.00 0.00 39.64 40.70 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 1.16 3.05 3.93 7.39 0.00 -0.45 -0.49 105.19 119.77 1p97 n GLY 30 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.33 1.37 0.02 1.61 2.02 -1.26 -4.80 117.35 114.98 1p97 s TYR 31 Ca 0.00 0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.96 1p97 s TYR 31 Cb 0.00 -4.20 -0.04 0.00 -0.40 0.00 0.00 41.96 37.33 1p97 s TYR 31 CO 0.00 -2.81 0.09 -1.58 -1.57 0.00 0.00 175.55 169.67 1p97 s HIS 32 N -3.91 3.27 0.28 2.71 2.46 -1.26 -3.05 115.29 115.79 1p97 s HIS 32 Ca 0.76 0.17 -0.00 0.00 0.47 0.00 0.00 55.06 56.46 1p97 s HIS 32 Cb -0.03 -1.71 0.64 0.00 -0.13 0.00 0.00 32.58 31.36 1p97 s HIS 32 CO 0.54 0.54 1.63 -1.35 -2.47 0.00 0.00 174.74 173.63 1p97 h PRO 33 N 3.85 0.15 0.00 2.88 0.11 -1.85 0.19 132.00 137.33 1p97 h PRO 33 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1p97 h PRO 33 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1p97 h PRO 33 CO 0.64 0.10 0.00 1.05 -0.21 0.00 0.00 178.00 179.58 1p97 h GLU 34 N 0.16 0.00 0.02 1.05 9.09 -1.94 -1.52 114.58 121.43 1p97 h GLU 34 Ca 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.93 1p97 h GLU 34 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 1p97 h GLU 34 CO -0.69 0.00 -0.01 1.49 0.05 0.00 0.00 179.01 179.85 1p97 h GLU 35 N 0.00 -0.02 0.00 1.06 4.57 -1.01 -3.29 114.58 115.88 1p97 h GLU 35 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1p97 h GLU 35 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1p97 h GLU 35 CO 0.00 0.49 0.00 -0.07 -1.18 0.00 0.00 179.01 178.25 1p97 h LEU 36 N -0.99 0.00 -8.26 1.64 4.07 -1.20 -3.43 115.31 107.14 1p97 h LEU 36 Ca -0.00 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.85 1p97 h LEU 36 Cb 0.52 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 1p97 h LEU 36 CO 0.00 0.00 0.29 -0.76 -1.08 0.00 0.00 178.44 176.89 1p97 s LEU 37 N -4.97 2.90 0.00 1.67 1.43 -0.60 -2.39 118.68 116.72 1p97 s LEU 37 Ca 0.04 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1p97 s LEU 37 Cb 0.09 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1p97 s LEU 37 CO 0.47 -3.62 0.00 0.61 0.23 0.00 0.00 176.35 174.04 1p97 n GLY 38 N 6.69 0.89 2.81 -3.19 0.00 0.15 -4.98 105.19 107.56 1p97 n GLY 38 Ca 0.44 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 1p97 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1p97 s ARG 39 N 0.20 0.05 -0.65 1.61 1.70 -1.01 -5.01 118.95 115.83 1p97 s ARG 39 Ca 0.00 0.11 -0.33 0.00 -0.47 0.00 0.00 55.73 55.04 1p97 s ARG 39 Cb 0.00 -0.23 -0.18 0.00 -0.57 0.00 0.00 34.95 33.97 1p97 s ARG 39 CO 0.00 -0.11 2.12 0.43 -1.08 0.00 0.00 175.30 176.66 1p97 n SER 40 N 3.86 0.46 -0.21 -2.89 7.64 -1.26 -3.89 113.62 117.33 1p97 n SER 40 Ca -0.23 0.38 0.01 0.00 1.01 0.00 0.00 58.87 60.04 1p97 n SER 40 Cb 0.53 -0.80 0.12 0.00 -1.01 0.00 0.00 64.21 63.05 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 9.20 0.80 0.00 -0.43 0.00 -1.71 -3.09 119.26 124.04 1p97 h ALA 41 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1p97 h ALA 41 Cb 1.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1p97 h ALA 41 CO 1.09 -0.22 0.16 0.66 0.00 0.00 0.00 179.25 180.94 1p97 n TYR 42 N -5.02 0.04 0.14 0.00 4.02 -1.26 0.29 117.16 115.37 1p97 n TYR 42 Ca 0.09 0.02 -0.06 0.00 -0.01 0.00 0.00 57.90 57.95 1p97 n TYR 42 Cb 0.30 -0.38 -0.03 0.00 -0.02 0.00 0.00 39.34 39.21 1p97 n TYR 42 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1p97 h GLU 43 N 0.00 -0.37 0.00 -0.72 4.39 -1.93 -3.36 114.58 112.59 1p97 h GLU 43 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1p97 h GLU 43 Cb 0.32 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1p97 h GLU 43 CO 0.00 -0.24 -0.63 0.27 -1.16 0.00 0.00 179.01 177.25 1p97 h PHE 44 N -0.50 0.00 -0.02 4.33 -5.15 -1.36 -3.44 116.94 110.79 1p97 h PHE 44 Ca -0.04 0.00 -0.59 0.00 -0.20 0.00 0.00 57.97 57.14 1p97 h PHE 44 Cb 0.29 0.00 0.10 0.00 0.22 0.00 0.00 35.95 36.56 1p97 h PHE 44 CO 0.09 0.00 1.72 0.98 -2.00 0.00 0.00 178.31 179.11 1p97 n TYR 45 N -2.13 0.92 -1.44 6.09 9.36 0.14 -2.79 117.16 127.31 1p97 n TYR 45 Ca 0.03 -1.09 0.00 0.00 3.32 0.00 0.00 57.90 60.17 1p97 n TYR 45 Cb 0.44 -1.28 0.00 0.00 -0.63 0.00 0.00 39.34 37.88 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 8.84 -2.53 0.26 2.98 8.25 -1.23 -4.10 115.22 127.69 1p97 n HIS 46 Ca 0.48 1.52 -0.11 0.00 -0.26 0.00 0.00 57.72 59.35 1p97 n HIS 46 Cb 0.42 -2.90 -0.05 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 2.20 -0.87 0.00 -1.41 0.00 -1.81 -2.81 119.26 114.56 1p97 h ALA 47 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1p97 h ALA 47 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1p97 h ALA 47 CO 0.00 -0.82 -1.24 1.47 0.00 0.00 0.00 179.25 178.66 1p97 n LEU 48 N -4.51 0.54 -0.84 0.00 -0.00 -1.26 -4.17 117.00 106.76 1p97 n LEU 48 Ca -0.09 0.03 0.12 0.00 -0.00 0.00 0.00 56.01 56.06 1p97 n LEU 48 Cb 0.27 -0.06 0.29 0.00 -0.00 0.00 0.00 43.42 43.92 1p97 n LEU 48 CO 0.21 0.00 0.73 0.47 -0.00 0.00 0.00 177.39 178.80 1p97 n ASP 49 N -2.14 2.53 -0.29 1.45 9.92 -1.25 -3.98 116.55 122.79 1p97 n ASP 49 Ca 0.00 -1.84 -0.01 0.00 -0.53 0.00 0.00 54.79 52.41 1p97 n ASP 49 Cb 0.48 -0.14 0.12 0.00 -0.64 0.00 0.00 41.12 40.94 1p97 n ASP 49 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1p97 h SER 50 N 3.45 0.80 -0.56 -2.24 4.64 -1.65 -2.56 113.55 115.43 1p97 h SER 50 Ca 0.00 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1p97 h SER 50 Cb 0.75 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.62 1p97 h SER 50 CO 0.00 0.53 0.24 -0.33 -0.87 0.00 0.00 176.83 176.40 1p97 h GLU 51 N 0.94 0.44 -0.77 4.77 5.08 -1.88 0.11 114.58 123.28 1p97 h GLU 51 Ca 0.34 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 1p97 h GLU 51 Cb 0.10 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1p97 h GLU 51 CO -0.15 0.29 0.45 -0.91 -1.00 0.00 0.00 179.01 177.70 1p97 h ASN 52 N 0.46 0.69 1.50 1.42 -0.26 -1.73 -0.58 115.58 117.07 1p97 h ASN 52 Ca 0.27 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 56.00 1p97 h ASN 52 Cb 0.26 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1p97 h ASN 52 CO -0.24 0.44 -0.18 0.24 -1.06 0.00 0.00 177.43 176.64 1p97 h MET 53 N 0.82 0.00 -0.56 0.81 2.86 -1.12 -0.79 114.93 116.95 1p97 h MET 53 Ca 0.34 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.89 1p97 h MET 53 Cb 0.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1p97 h MET 53 CO -0.18 0.18 0.01 1.15 1.06 0.00 0.00 176.91 179.12 1p97 h THR 54 N 0.00 1.26 -0.26 2.22 2.02 0.66 0.11 112.91 118.93 1p97 h THR 54 Ca -0.00 -1.11 -0.10 0.00 0.77 0.00 0.00 66.41 65.96 1p97 h THR 54 Cb 0.97 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1p97 h THR 54 CO 0.02 0.40 -0.27 0.11 0.37 0.00 0.00 175.52 176.16 1p97 h LYS 55 N 0.88 0.51 -0.41 6.66 6.56 -0.87 -1.15 116.57 128.75 1p97 h LYS 55 Ca 0.16 -0.20 0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1p97 h LYS 55 Cb 0.53 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.14 1p97 h LYS 55 CO 0.03 0.74 0.24 1.03 -2.06 0.00 0.00 179.45 179.43 1p97 h SER 56 N 0.45 0.39 -0.46 0.86 0.87 -0.65 0.54 113.55 115.55 1p97 h SER 56 Ca 0.06 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 1p97 h SER 56 Cb 0.70 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1p97 h SER 56 CO 0.05 0.28 -0.06 -0.74 -0.53 0.00 0.00 176.83 175.84 1p97 h HIS 57 N 0.49 0.99 0.00 2.24 -0.00 -0.48 0.34 115.15 118.72 1p97 h HIS 57 Ca 0.16 -0.17 -0.07 0.00 -0.00 0.00 0.00 60.37 60.29 1p97 h HIS 57 Cb 0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 1p97 h HIS 57 CO -0.07 0.92 -0.34 -0.56 -0.00 0.00 0.00 177.93 177.88 1p97 h GLN 58 N 0.82 0.00 0.00 5.26 3.07 -0.94 -1.94 115.11 121.38 1p97 h GLN 58 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.84 1p97 h GLN 58 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 1p97 h GLN 58 CO 0.03 0.34 -0.25 -0.97 0.09 0.00 0.00 178.83 178.07 1p97 h ASN 59 N 0.00 0.00 0.38 0.06 -1.24 -0.46 -3.35 115.58 110.97 1p97 h ASN 59 Ca -0.00 -0.70 -0.02 0.00 0.71 0.00 0.00 56.30 56.29 1p97 h ASN 59 Cb 0.89 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.94 1p97 h ASN 59 CO 0.04 0.99 -0.10 0.25 -1.29 0.00 0.00 177.43 177.33 1p97 h LEU 60 N -1.00 0.00 -2.02 0.34 5.85 -0.37 -2.66 115.31 115.45 1p97 h LEU 60 Ca -0.06 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.79 1p97 h LEU 60 Cb 0.87 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1p97 h LEU 60 CO -0.04 0.10 0.36 0.00 -0.34 0.00 0.00 178.44 178.52 1p97 n THR 62 N -4.24 0.08 -0.02 0.00 -1.04 -1.09 -4.81 114.28 103.15 1p97 n THR 62 Ca 0.08 -0.68 -0.01 0.00 -2.04 0.00 0.00 64.05 61.40 1p97 n THR 62 Cb 0.57 0.80 -0.05 0.00 -1.82 0.00 0.00 70.33 69.83 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 0.08 2.25 -0.83 -2.82 4.76 -1.02 -5.00 118.16 115.59 1p97 n LYS 63 Ca -0.10 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1p97 n LYS 63 Cb 0.91 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.96 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 2.50 1.27 3.51 0.72 0.00 -1.20 -4.94 105.19 107.06 1p97 n GLY 64 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.03 1.03 -0.13 1.61 2.00 -1.26 -3.77 119.66 119.10 1p97 s GLN 65 Ca 0.00 0.15 -0.23 0.00 -2.00 0.00 0.00 55.36 53.27 1p97 s GLN 65 Cb 0.00 0.48 0.06 0.00 0.80 0.00 0.00 33.01 34.35 1p97 s GLN 65 CO 0.00 -0.34 0.58 0.54 -0.50 0.00 0.00 175.29 175.57 1p97 s VAL 66 N -1.53 0.01 0.19 1.34 0.11 -0.33 -4.45 120.40 115.74 1p97 s VAL 66 Ca -0.08 -0.08 0.10 0.00 -2.93 0.00 0.00 61.98 58.99 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 0.06 -0.04 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.90 1p97 s VAL 67 N -0.46 2.04 0.02 2.04 1.01 -1.26 0.29 120.40 124.07 1p97 s VAL 67 Ca -0.06 -2.05 -0.28 0.00 0.00 0.00 0.00 61.98 59.59 1p97 s VAL 67 Cb -0.03 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.43 1p97 s VAL 67 CO 0.04 -0.31 0.69 -0.55 0.00 0.00 0.00 175.10 174.98 1p97 s SER 68 N -2.86 -0.58 0.00 3.32 0.15 -1.06 -4.98 113.70 107.69 1p97 s SER 68 Ca 0.20 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1p97 s SER 68 Cb -0.06 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1p97 s SER 68 CO 0.09 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1p97 n GLY 69 N 0.35 2.49 3.59 9.45 0.00 -1.26 -3.08 105.19 116.72 1p97 n GLY 69 Ca -0.17 -2.13 -0.50 0.00 0.00 0.00 0.00 46.02 43.22 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 -0.67 1.54 -4.69 1.61 6.02 -1.22 -4.18 117.38 115.80 1p97 n GLN 70 Ca 0.00 0.51 -0.30 0.00 -0.01 0.00 0.00 57.00 57.20 1p97 n GLN 70 Cb 0.00 -2.53 -0.09 0.00 1.02 0.00 0.00 30.24 28.64 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 5.63 2.12 -0.36 1.08 -0.85 0.41 -4.80 117.35 120.57 1p97 s TYR 71 Ca 1.01 -0.86 -0.14 0.00 -0.52 0.00 0.00 57.07 56.56 1p97 s TYR 71 Cb -0.80 -1.64 -0.01 0.00 0.38 0.00 0.00 41.96 39.89 1p97 s TYR 71 CO 0.52 0.28 0.28 1.03 -1.52 0.00 0.00 175.55 176.14 1p97 s ARG 72 N -3.81 3.34 -0.15 -3.49 0.52 -1.26 -1.55 118.95 112.56 1p97 s ARG 72 Ca 0.19 -0.73 -0.07 0.00 -0.52 0.00 0.00 55.73 54.60 1p97 s ARG 72 Cb 0.05 -3.86 -0.04 0.00 0.52 0.00 0.00 34.95 31.62 1p97 s ARG 72 CO 0.10 -0.55 0.11 1.41 0.02 0.00 0.00 175.30 176.38 1p97 s MET 73 N 1.76 3.71 -0.10 3.54 1.75 0.62 -3.56 119.30 127.02 1p97 s MET 73 Ca 0.07 -0.23 -0.30 0.00 -1.25 0.00 0.00 55.69 53.98 1p97 s MET 73 Cb -0.18 -3.22 -0.03 0.00 2.84 0.00 0.00 34.83 34.24 1p97 s MET 73 CO 0.11 0.53 1.39 -1.17 -0.65 0.00 0.00 175.02 175.23 1p97 s LEU 74 N -0.33 4.25 0.61 4.11 2.96 -1.12 -1.48 118.68 127.69 1p97 s LEU 74 Ca 0.10 1.93 -0.08 0.00 -0.22 0.00 0.00 54.13 55.87 1p97 s LEU 74 Cb -0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1p97 s LEU 74 CO 0.01 -0.79 0.95 0.00 -1.32 0.00 0.00 176.35 175.20 1p97 s ALA 75 N 3.37 3.19 0.34 5.97 0.00 0.75 -4.86 121.76 130.53 1p97 s ALA 75 Ca 0.62 -0.54 0.14 0.00 0.00 0.00 0.00 51.96 52.17 1p97 s ALA 75 Cb -0.27 -2.74 1.11 0.00 0.00 0.00 0.00 23.12 21.22 1p97 s ALA 75 CO 0.21 -0.83 1.60 -0.22 0.00 0.00 0.00 175.76 176.52 1p97 h LYS 76 N -0.26 0.07 -1.01 0.00 3.64 -1.11 0.19 116.57 118.08 1p97 h LYS 76 Ca -0.45 -0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.45 1p97 h LYS 76 Cb 1.24 -0.02 -0.27 0.00 -0.41 0.00 0.00 32.23 32.78 1p97 h LYS 76 CO 0.62 0.05 0.60 -2.39 -2.27 0.00 0.00 179.45 176.05 1p97 n HIS 77 N -5.28 2.71 -1.34 1.91 1.44 -1.26 -4.81 115.22 108.59 1p97 n HIS 77 Ca 0.32 -1.81 -0.11 0.00 -2.01 0.00 0.00 57.72 54.11 1p97 n HIS 77 Cb 1.06 -0.92 -0.05 0.00 0.12 0.00 0.00 29.99 30.21 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 -0.90 1.23 3.92 -1.39 0.00 0.64 -5.00 105.19 103.68 1p97 n GLY 78 Ca 0.53 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 1.72 -0.08 -0.02 0.00 -1.12 -4.74 107.32 100.20 1p97 s GLY 79 Ca 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 43.68 1p97 s GLY 79 CO 0.00 -0.34 0.04 -0.19 0.00 0.00 0.00 173.10 172.60 1p97 s TYR 80 N -3.78 0.40 0.03 1.90 2.02 -0.83 -0.18 117.35 116.91 1p97 s TYR 80 Ca 0.70 -0.07 0.06 0.00 -0.37 0.00 0.00 57.07 57.39 1p97 s TYR 80 Cb -0.06 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1p97 s TYR 80 CO 0.52 -0.32 -0.14 0.14 -1.57 0.00 0.00 175.55 174.18 1p97 s VAL 81 N 2.06 3.07 -0.16 0.71 -7.23 -0.55 0.26 120.40 118.57 1p97 s VAL 81 Ca 0.04 -1.04 -0.19 0.00 -1.81 0.00 0.00 61.98 58.98 1p97 s VAL 81 Cb -0.13 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1p97 s VAL 81 CO -0.05 0.36 0.52 0.26 -0.31 0.00 0.00 175.10 175.88 1p97 s TRP 82 N -0.94 3.44 0.03 2.82 0.52 0.17 -0.28 118.94 124.70 1p97 s TRP 82 Ca 0.15 0.86 0.02 0.00 0.02 0.00 0.00 56.10 57.15 1p97 s TRP 82 Cb -0.11 -2.64 -0.02 0.00 -1.15 0.00 0.00 33.47 29.55 1p97 s TRP 82 CO 0.06 0.01 -0.07 -0.51 0.02 0.00 0.00 176.95 176.46 1p97 s LEU 83 N 1.21 2.20 0.00 2.99 1.02 -0.59 -0.75 118.68 124.76 1p97 s LEU 83 Ca 0.26 -0.44 0.02 0.00 0.02 0.00 0.00 54.13 53.99 1p97 s LEU 83 Cb -0.15 -0.15 -0.04 0.00 0.02 0.00 0.00 46.19 45.87 1p97 s LEU 83 CO 0.10 -0.16 -0.01 -1.61 0.02 0.00 0.00 176.35 174.70 1p97 s GLU 84 N -1.25 2.73 -0.09 1.70 2.02 -0.68 -0.45 118.70 122.69 1p97 s GLU 84 Ca -0.08 -0.64 -0.00 0.00 0.02 0.00 0.00 54.97 54.27 1p97 s GLU 84 Cb -0.08 -2.63 0.02 0.00 0.10 0.00 0.00 34.13 31.54 1p97 s GLU 84 CO 0.00 0.62 -0.06 0.99 0.02 0.00 0.00 175.26 176.83 1p97 s THR 85 N -1.08 0.85 -0.27 3.63 2.01 -1.18 -0.17 115.64 119.43 1p97 s THR 85 Ca 0.19 -0.21 -0.16 0.00 0.31 0.00 0.00 61.69 61.83 1p97 s THR 85 Cb -0.11 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1p97 s THR 85 CO 0.10 0.33 0.42 0.00 -0.69 0.00 0.00 174.62 174.78 1p97 s GLN 86 N 1.54 4.01 0.20 4.92 1.03 -0.33 -2.56 119.66 128.47 1p97 s GLN 86 Ca 0.01 0.11 0.08 0.00 0.04 0.00 0.00 55.36 55.59 1p97 s GLN 86 Cb -0.13 -3.66 -0.04 0.00 0.03 0.00 0.00 33.01 29.21 1p97 s GLN 86 CO -0.05 -0.31 -0.01 0.20 -2.54 0.00 0.00 175.29 172.57 1p97 s GLY 87 N 1.62 1.70 -0.22 2.60 0.00 0.14 -1.39 107.32 111.77 1p97 s GLY 87 Ca 0.17 -1.47 -0.06 0.00 0.00 0.00 0.00 44.72 43.36 1p97 s GLY 87 CO 0.10 -1.50 0.44 -1.59 0.00 0.00 0.00 173.10 170.55 1p97 s THR 88 N -1.90 -0.68 -0.29 0.90 2.01 -0.76 -1.18 115.64 113.74 1p97 s THR 88 Ca 0.28 0.12 -0.23 0.00 0.31 0.00 0.00 61.69 62.17 1p97 s THR 88 Cb -0.08 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.70 1p97 s THR 88 CO 0.18 0.03 0.75 -0.69 -0.69 0.00 0.00 174.62 174.21 1p97 s VAL 89 N 2.63 4.85 -0.44 3.82 1.01 -1.25 0.02 120.40 131.04 1p97 s VAL 89 Ca 0.01 1.17 -0.25 0.00 0.00 0.00 0.00 61.98 62.91 1p97 s VAL 89 Cb -0.13 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1p97 s VAL 89 CO -0.14 -0.17 0.89 -0.51 0.00 0.00 0.00 175.10 175.17 1p97 s ILE 90 N 2.83 4.54 0.36 2.22 2.07 0.63 -4.80 121.20 129.04 1p97 s ILE 90 Ca 0.31 0.77 -0.09 0.00 -1.41 0.00 0.00 60.65 60.23 1p97 s ILE 90 Cb -0.15 -4.38 -0.06 0.00 0.13 0.00 0.00 42.46 38.00 1p97 s ILE 90 CO 0.11 -0.73 0.70 -0.31 -1.91 0.00 0.00 174.94 172.80 1p97 s TYR 91 N 3.58 3.46 0.18 3.50 1.51 -1.26 -1.11 117.35 127.20 1p97 s TYR 91 Ca 0.35 0.95 -0.32 0.00 -1.01 0.00 0.00 57.07 57.05 1p97 s TYR 91 Cb -0.11 -2.36 -0.10 0.00 -0.11 0.00 0.00 41.96 39.28 1p97 s TYR 91 CO 0.24 0.00 1.59 1.21 -1.11 0.00 0.00 175.55 177.48 1p97 s ASN 92 N -3.03 6.54 0.18 2.29 3.84 0.44 -4.72 114.94 120.47 1p97 s ASN 92 Ca 0.49 2.68 -0.11 0.00 0.21 0.00 0.00 52.86 56.13 1p97 s ASN 92 Cb -0.10 -2.60 0.08 0.00 -0.55 0.00 0.00 41.25 38.08 1p97 s ASN 92 CO 0.29 -0.85 1.72 1.55 -2.79 0.00 0.00 177.10 177.02 1p97 h PRO 93 N 6.67 0.94 0.03 0.43 0.13 -1.96 0.58 132.00 138.83 1p97 h PRO 93 Ca -0.43 -0.19 -0.32 0.00 -0.87 0.00 0.00 66.00 64.19 1p97 h PRO 93 Cb 1.20 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1p97 h PRO 93 CO 0.91 0.82 -1.85 2.89 -0.23 0.00 0.00 178.00 180.55 1p97 n ARG 94 N -4.41 0.67 -0.01 0.86 1.85 -1.26 -4.39 116.66 109.97 1p97 n ARG 94 Ca 0.04 0.26 0.05 0.00 -1.00 0.00 0.00 57.85 57.21 1p97 n ARG 94 Cb 0.19 -1.75 -0.09 0.00 -1.05 0.00 0.00 32.46 29.77 1p97 n ARG 94 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1p97 n ASN 95 N -3.14 2.40 -3.57 2.89 4.05 -1.24 -5.00 115.26 111.63 1p97 n ASN 95 Ca -0.23 0.00 -0.26 0.00 0.45 0.00 0.00 54.58 54.54 1p97 n ASN 95 Cb 1.06 1.50 0.00 0.00 1.23 0.00 0.00 39.78 43.57 1p97 n ASN 95 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1p97 n LEU 96 N -1.91 -1.88 -4.82 1.20 4.77 0.20 -4.93 117.00 109.64 1p97 n LEU 96 Ca -0.02 -0.55 -0.31 0.00 -0.03 0.00 0.00 56.01 55.10 1p97 n LEU 96 Cb 0.31 -2.29 0.06 0.00 -2.33 0.00 0.00 43.42 39.18 1p97 n LEU 96 CO 0.24 0.25 0.71 -1.10 -1.33 0.00 0.00 177.39 176.16 1p97 s GLN 97 N -6.24 2.68 -0.61 3.23 -0.21 -1.26 -4.57 119.66 112.68 1p97 s GLN 97 Ca 0.50 0.81 -0.26 0.00 0.02 0.00 0.00 55.36 56.42 1p97 s GLN 97 Cb -0.26 -1.97 -0.08 0.00 1.00 0.00 0.00 33.01 31.70 1p97 s GLN 97 CO 0.61 -1.24 2.33 -1.25 -2.12 0.00 0.00 175.29 173.63 1p97 s PRO 98 N -5.11 2.03 -0.01 2.91 0.04 -1.26 -0.42 135.00 133.18 1p97 s PRO 98 Ca 0.59 0.99 -0.22 0.00 0.04 0.00 0.00 61.00 62.39 1p97 s PRO 98 Cb -0.14 -4.65 -0.19 0.00 0.04 0.00 0.00 34.50 29.56 1p97 s PRO 98 CO 0.54 -3.57 1.19 0.37 0.04 0.00 0.00 177.00 175.58 1p97 h GLN 99 N 16.81 0.25 -3.02 4.56 5.75 -1.41 -3.21 115.11 134.85 1p97 h GLN 99 Ca -0.16 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1p97 h GLN 99 Cb 1.17 0.03 -0.10 0.00 1.07 0.00 0.00 27.48 29.65 1p97 h GLN 99 CO 1.13 0.81 0.20 0.00 -2.65 0.00 0.00 178.83 178.32 1p97 s ILE 101 N -3.79 2.64 -0.33 0.00 1.09 0.82 -0.27 121.20 121.36 1p97 s ILE 101 Ca 0.04 -0.82 -0.10 0.00 -1.10 0.00 0.00 60.65 58.67 1p97 s ILE 101 Cb -0.02 -2.06 0.01 0.00 -1.06 0.00 0.00 42.46 39.32 1p97 s ILE 101 CO -0.08 0.55 0.16 -0.04 -0.10 0.00 0.00 174.94 175.43 1p97 s MET 102 N 0.17 3.14 -0.27 2.79 -1.94 0.10 -0.08 119.30 123.21 1p97 s MET 102 Ca -0.10 -0.85 -0.06 0.00 -1.71 0.00 0.00 55.69 52.97 1p97 s MET 102 Cb -0.16 -3.60 0.00 0.00 2.01 0.00 0.00 34.83 33.08 1p97 s MET 102 CO 0.06 -0.51 0.05 0.00 -0.01 0.00 0.00 175.02 174.61 1p97 s VAL 104 N 1.50 5.01 -0.08 0.00 1.01 -0.49 -1.03 120.40 126.33 1p97 s VAL 104 Ca 0.04 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1p97 s VAL 104 Cb -0.16 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1p97 s VAL 104 CO 0.01 -0.21 -0.09 0.20 0.00 0.00 0.00 175.10 175.01 1p97 s ASN 105 N 1.75 4.43 -0.32 3.32 0.01 -1.12 -1.19 114.94 121.82 1p97 s ASN 105 Ca 0.19 -0.12 0.03 0.00 -0.71 0.00 0.00 52.86 52.26 1p97 s ASN 105 Cb -0.15 -1.22 0.09 0.00 0.41 0.00 0.00 41.25 40.38 1p97 s ASN 105 CO 0.13 0.31 0.01 -0.31 -1.51 0.00 0.00 177.10 175.74 1p97 s TYR 106 N -0.50 3.48 -0.51 2.20 1.51 0.76 -2.42 117.35 121.87 1p97 s TYR 106 Ca 0.07 -2.74 -0.28 0.00 -1.01 0.00 0.00 57.07 53.11 1p97 s TYR 106 Cb -0.12 -2.59 0.02 0.00 -0.11 0.00 0.00 41.96 39.16 1p97 s TYR 106 CO 0.02 -0.92 1.33 0.08 -1.11 0.00 0.00 175.55 174.94 1p97 s VAL 107 N 1.01 3.93 0.00 0.71 1.01 0.41 -1.68 120.40 125.79 1p97 s VAL 107 Ca 0.06 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1p97 s VAL 107 Cb -0.19 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1p97 s VAL 107 CO -0.08 -1.06 0.00 0.18 0.00 0.00 0.00 175.10 174.13 1p97 n LEU 108 N 8.88 0.00 -4.71 3.92 4.77 0.07 -4.50 117.00 125.42 1p97 n LEU 108 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 1p97 n LEU 108 Cb 0.49 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1p97 n LEU 108 CO 0.71 -0.17 0.68 -0.44 -1.33 0.00 0.00 177.39 176.84 1p97 s SER 109 N -1.80 7.40 0.45 -1.43 0.01 -1.13 -4.94 113.70 112.27 1p97 s SER 109 Ca 0.00 1.69 0.00 0.00 1.31 0.00 0.00 55.95 58.95 1p97 s SER 109 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1p97 s SER 109 CO 0.00 -0.21 0.00 -0.62 0.41 0.00 0.00 173.24 172.82 1p97 n GLU 110 N 3.61 0.74 -1.54 12.44 1.02 -1.26 -0.65 120.64 135.01 1p97 n GLU 110 Ca 0.05 0.00 -0.51 0.00 -0.02 0.00 0.00 57.16 56.68 1p97 n GLU 110 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.86 1p97 n GLU 110 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1p97 n ILE 111 N -1.06 0.29 -4.32 -3.67 5.41 -1.26 -4.46 119.36 110.29 1p97 n ILE 111 Ca 0.00 -0.22 -0.32 0.00 1.00 0.00 0.00 62.75 63.21 1p97 n ILE 111 Cb 0.00 -1.71 -0.09 0.00 -0.71 0.00 0.00 39.64 37.13 1p97 n ILE 111 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1p97 s GLU 112 N 5.46 2.60 -0.41 0.38 2.12 0.14 -4.95 118.70 124.04 1p97 s GLU 112 Ca 1.04 -0.73 0.05 0.00 0.36 0.00 0.00 54.97 55.69 1p97 s GLU 112 Cb -0.81 -2.55 0.18 0.00 0.26 0.00 0.00 34.13 31.21 1p97 s GLU 112 CO 0.51 0.59 0.37 1.63 -0.54 0.00 0.00 175.26 177.82 1p97 n LYS 113 N 1.26 0.27 -0.45 4.30 5.02 -1.26 -1.96 118.16 125.34 1p97 n LYS 113 Ca -0.14 -3.17 0.00 0.00 -2.02 0.00 0.00 58.31 52.98 1p97 n LYS 113 Cb 0.52 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1p97 n LYS 113 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97