#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ca9 s ILE 10 N 0.00 0.73 -0.12 2.46 -5.25 -1.26 -5.15 121.20 112.62 2ca9 s ILE 10 Ca 0.00 -0.16 -0.02 0.00 -0.99 0.00 0.00 60.65 59.48 2ca9 s ILE 10 Cb 0.00 -0.77 -0.03 0.00 2.95 0.00 0.00 42.46 44.61 2ca9 s ILE 10 CO 0.00 0.30 -0.06 -0.63 -1.79 0.00 0.00 174.94 172.76 2ca9 s ILE 11 N 1.41 3.76 -0.10 8.37 1.09 -1.26 -5.11 121.20 129.36 2ca9 s ILE 11 Ca -0.02 -0.43 -0.05 0.00 -1.10 0.00 0.00 60.65 59.05 2ca9 s ILE 11 Cb -0.13 -2.60 -0.04 0.00 -1.06 0.00 0.00 42.46 38.63 2ca9 s ILE 11 CO -0.03 0.54 0.09 0.00 -0.10 0.00 0.00 174.94 175.43 2ca9 s ARG 12 N -0.12 3.25 0.19 2.79 3.03 -1.26 -5.12 118.95 121.72 2ca9 s ARG 12 Ca 0.02 -0.26 -0.11 0.00 2.03 0.00 0.00 55.73 57.42 2ca9 s ARG 12 Cb -0.13 -3.02 -0.01 0.00 -1.03 0.00 0.00 34.95 30.76 2ca9 s ARG 12 CO 0.03 0.74 0.36 -0.59 -1.13 0.00 0.00 175.30 174.71 2ca9 s PHE 13 N -0.99 0.38 0.07 5.89 -0.12 -1.26 -5.18 117.98 116.78 2ca9 s PHE 13 Ca 0.15 -0.73 0.01 0.00 -0.05 0.00 0.00 56.93 56.31 2ca9 s PHE 13 Cb -0.12 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 2ca9 s PHE 13 CO 0.04 -0.82 0.18 -1.12 -0.05 0.00 0.00 175.22 173.45 2ca9 s SER 14 N -2.98 6.14 -0.02 1.98 0.01 -1.26 -5.11 113.70 112.46 2ca9 s SER 14 Ca 0.19 0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.68 2ca9 s SER 14 Cb 0.02 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 2ca9 s SER 14 CO 0.03 0.16 -0.12 -0.69 0.41 0.00 0.00 173.24 173.03 2ca9 s VAL 15 N -1.49 1.01 -0.02 3.43 1.01 -1.26 -5.15 120.40 117.92 2ca9 s VAL 15 Ca 0.33 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2ca9 s VAL 15 Cb -0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2ca9 s VAL 15 CO 0.26 0.29 0.03 -0.44 0.00 0.00 0.00 175.10 175.24 2ca9 s SER 16 N -0.17 5.33 -0.18 3.32 0.01 -1.26 -5.11 113.70 115.64 2ca9 s SER 16 Ca 0.02 0.08 -0.28 0.00 1.31 0.00 0.00 55.95 57.08 2ca9 s SER 16 Cb -0.06 -1.46 0.08 0.00 0.21 0.00 0.00 66.02 64.78 2ca9 s SER 16 CO -0.00 0.30 0.75 -0.22 0.41 0.00 0.00 173.24 174.47 2ca9 s LEU 17 N -1.48 -0.67 0.40 2.44 2.96 -1.26 -5.15 118.68 115.92 2ca9 s LEU 17 Ca 0.19 1.06 -0.27 0.00 -0.22 0.00 0.00 54.13 54.89 2ca9 s LEU 17 Cb -0.12 2.41 -0.10 0.00 0.50 0.00 0.00 46.19 48.88 2ca9 s LEU 17 CO 0.10 -0.38 1.47 -1.10 -1.32 0.00 0.00 176.35 175.12 2ca9 s GLN 18 N -0.32 3.98 0.35 1.98 -1.52 -1.26 -4.84 119.66 118.03 2ca9 s GLN 18 Ca -0.04 2.53 0.05 0.00 -1.95 0.00 0.00 55.36 55.96 2ca9 s GLN 18 Cb -0.03 -2.87 0.71 0.00 -0.22 0.00 0.00 33.01 30.60 2ca9 s GLN 18 CO 0.04 -0.63 1.94 0.37 -0.25 0.00 0.00 175.29 176.77 2ca9 h GLN 19 N 2.79 0.77 0.00 2.91 5.75 -2.01 -0.16 115.11 125.16 2ca9 h GLN 19 Ca -0.51 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 57.94 2ca9 h GLN 19 Cb 1.25 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.62 2ca9 h GLN 19 CO 0.63 0.51 0.00 -2.95 -2.65 0.00 0.00 178.83 174.37 2ca9 h ASN 20 N 0.79 0.00 0.22 -0.69 -1.07 -1.98 0.78 115.58 113.64 2ca9 h ASN 20 Ca 0.34 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.39 2ca9 h ASN 20 Cb 0.29 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 36.57 2ca9 h ASN 20 CO -0.12 0.00 -1.42 -0.07 0.07 0.00 0.00 177.43 175.89 2ca9 h LEU 21 N 0.00 0.74 -1.58 6.14 4.07 -1.46 -3.12 115.31 120.10 2ca9 h LEU 21 Ca 0.00 -0.93 0.01 0.00 0.08 0.00 0.00 57.88 57.04 2ca9 h LEU 21 Cb 0.71 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 2ca9 h LEU 21 CO 0.00 1.67 0.29 0.25 -1.08 0.00 0.00 178.44 179.57 2ca9 h LEU 22 N 0.04 0.49 -0.57 1.67 5.85 -0.92 -0.21 115.31 121.67 2ca9 h LEU 22 Ca -0.26 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.31 2ca9 h LEU 22 Cb 2.06 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.96 2ca9 h LEU 22 CO 0.24 0.36 -0.39 0.44 -0.34 0.00 0.00 178.44 178.74 2ca9 h ASP 23 N 0.58 0.76 0.07 1.25 3.32 -0.95 0.48 116.42 121.93 2ca9 h ASP 23 Ca 0.16 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 56.75 2ca9 h ASP 23 Cb -0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2ca9 h ASP 23 CO -0.03 1.06 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.82 2ca9 h GLU 24 N 0.59 0.42 0.02 3.56 5.08 -1.26 -2.24 114.58 120.75 2ca9 h GLU 24 Ca 0.05 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2ca9 h GLU 24 Cb 0.92 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2ca9 h GLU 24 CO 0.08 0.75 -0.01 1.25 -1.00 0.00 0.00 179.01 180.08 2ca9 h LEU 25 N 0.35 -0.02 -2.00 1.33 5.85 -0.93 -3.25 115.31 116.64 2ca9 h LEU 25 Ca 0.03 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2ca9 h LEU 25 Cb 0.84 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 2ca9 h LEU 25 CO 0.07 0.40 -0.10 0.44 -0.34 0.00 0.00 178.44 178.91 2ca9 h ASP 26 N -0.45 0.00 -0.68 1.25 5.19 -0.92 0.12 116.42 120.93 2ca9 h ASP 26 Ca -0.00 0.00 0.15 0.00 -0.62 0.00 0.00 57.03 56.56 2ca9 h ASP 26 Cb 0.43 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.90 2ca9 h ASP 26 CO 0.00 0.10 0.46 -1.13 -3.12 0.00 0.00 179.24 175.56 2ca9 h ASN 27 N 0.00 0.27 -0.01 6.45 -0.73 -1.43 -3.23 115.58 116.91 2ca9 h ASN 27 Ca -0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 2ca9 h ASN 27 Cb 0.27 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.82 2ca9 h ASN 27 CO 0.01 0.14 -0.81 0.54 -0.37 0.00 0.00 177.43 176.95 2ca9 n ARG 28 N -4.45 0.52 0.02 6.67 1.74 0.42 -4.60 116.66 116.98 2ca9 n ARG 28 Ca 0.13 -0.33 -0.01 0.00 -0.77 0.00 0.00 57.85 56.87 2ca9 n ARG 28 Cb 0.55 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.51 2ca9 n ARG 28 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2ca9 h ILE 29 N 0.80 0.00 -0.63 0.55 2.04 -1.57 -3.04 117.51 115.67 2ca9 h ILE 29 Ca 0.00 -0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2ca9 h ILE 29 Cb 0.57 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2ca9 h ILE 29 CO 0.00 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.68 2ca9 h ILE 30 N -0.05 1.26 0.00 -0.67 2.04 -1.81 -1.29 117.51 116.98 2ca9 h ILE 30 Ca -0.01 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 2ca9 h ILE 30 Cb 0.04 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2ca9 h ILE 30 CO 0.01 0.36 -0.16 0.07 0.00 0.00 0.00 178.15 178.43 2ca9 h LYS 31 N 0.94 0.00 -0.05 2.37 2.10 -1.82 -1.75 116.57 118.36 2ca9 h LYS 31 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2ca9 h LYS 31 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2ca9 h LYS 31 CO 0.01 0.16 0.00 0.09 -2.00 0.00 0.00 179.45 177.70 2ca9 n ASN 32 N -4.00 2.04 0.00 7.07 3.02 -1.09 -4.93 115.26 117.36 2ca9 n ASN 32 Ca -0.02 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.84 2ca9 n ASN 32 Cb 0.24 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 2ca9 n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ca9 n GLY 33 N 1.24 0.66 3.80 7.41 0.00 -0.66 -5.09 105.19 112.55 2ca9 n GLY 33 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2ca9 n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ca9 s TYR 34 N -2.00 3.43 -0.58 1.61 1.51 -0.51 -4.96 117.35 115.85 2ca9 s TYR 34 Ca 0.00 1.68 0.24 0.00 -1.01 0.00 0.00 57.07 57.98 2ca9 s TYR 34 Cb 0.00 -2.94 0.36 0.00 -0.11 0.00 0.00 41.96 39.28 2ca9 s TYR 34 CO 0.00 -0.13 1.37 0.77 -1.11 0.00 0.00 175.55 176.46 2ca9 h SER 35 N 2.46 0.00 -5.05 2.29 0.02 -1.95 -3.36 113.55 107.95 2ca9 h SER 35 Ca -0.48 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.30 2ca9 h SER 35 Cb 1.19 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.61 2ca9 h SER 35 CO 0.63 0.07 0.03 -0.94 -1.14 0.00 0.00 176.83 175.47 2ca9 s SER 36 N -4.61 -0.35 0.30 3.07 1.04 -1.26 -5.03 113.70 106.86 2ca9 s SER 36 Ca 0.06 -0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.26 2ca9 s SER 36 Cb 0.12 0.52 0.45 0.00 0.10 0.00 0.00 66.02 67.21 2ca9 s SER 36 CO 0.71 -0.90 1.94 -0.09 0.98 0.00 0.00 173.24 175.87 2ca9 h ARG 37 N 2.23 1.01 -0.51 4.02 2.43 -1.97 -2.89 114.38 118.70 2ca9 h ARG 37 Ca -0.34 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 58.80 2ca9 h ARG 37 Cb 1.28 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 2ca9 h ARG 37 CO 0.43 0.71 0.21 1.03 -1.51 0.00 0.00 179.97 180.84 2ca9 h SER 38 N 1.02 0.25 -0.53 -3.80 0.87 -1.99 -1.35 113.55 108.03 2ca9 h SER 38 Ca 0.27 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 2ca9 h SER 38 Cb -0.03 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 2ca9 h SER 38 CO -0.05 0.17 0.28 -0.33 -0.53 0.00 0.00 176.83 176.38 2ca9 h GLU 39 N 0.41 0.77 -0.05 2.24 5.08 -1.92 -1.59 114.58 119.52 2ca9 h GLU 39 Ca 0.24 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 2ca9 h GLU 39 Cb 0.22 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2ca9 h GLU 39 CO -0.21 0.59 -0.75 1.25 -1.00 0.00 0.00 179.01 178.88 2ca9 h LEU 40 N 0.78 0.74 -0.63 1.33 5.85 -1.39 -3.01 115.31 118.97 2ca9 h LEU 40 Ca 0.20 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 2ca9 h LEU 40 Cb 0.06 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2ca9 h LEU 40 CO -0.03 1.34 0.35 0.58 -0.34 0.00 0.00 178.44 180.34 2ca9 h VAL 41 N 0.21 1.20 -0.84 1.05 2.07 -1.16 -1.85 116.25 116.92 2ca9 h VAL 41 Ca -0.08 -0.50 0.18 0.00 0.82 0.00 0.00 66.70 67.11 2ca9 h VAL 41 Cb 1.42 0.39 -0.11 0.00 -1.52 0.00 0.00 31.29 31.47 2ca9 h VAL 41 CO 0.15 0.22 0.37 -0.09 0.02 0.00 0.00 177.57 178.24 2ca9 h ARG 42 N 0.86 0.45 -0.06 1.57 2.43 -1.31 0.29 114.38 118.60 2ca9 h ARG 42 Ca 0.22 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 59.15 2ca9 h ARG 42 Cb 0.04 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2ca9 h ARG 42 CO -0.04 0.30 -0.85 -0.44 -1.51 0.00 0.00 179.97 177.43 2ca9 h ASP 43 N 0.46 0.68 -0.78 -3.80 3.32 -1.35 0.25 116.42 115.21 2ca9 h ASP 43 Ca 0.49 -0.49 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ca9 h ASP 43 Cb 0.83 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 2ca9 h ASP 43 CO -0.46 1.27 0.48 0.24 -1.72 0.00 0.00 179.24 179.06 2ca9 h MET 44 N 0.35 1.05 -0.17 3.56 2.86 -0.85 -1.31 114.93 120.42 2ca9 h MET 44 Ca -0.07 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 2ca9 h MET 44 Cb 1.47 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 2ca9 h MET 44 CO 0.16 0.73 0.04 0.82 1.06 0.00 0.00 176.91 179.72 2ca9 h ILE 45 N 1.06 1.20 -0.31 -1.22 2.04 -0.81 -1.28 117.51 118.20 2ca9 h ILE 45 Ca 0.28 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.56 2ca9 h ILE 45 Cb -0.06 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2ca9 h ILE 45 CO -0.06 0.20 -0.02 -0.09 0.00 0.00 0.00 178.15 178.17 2ca9 h ARG 46 N 0.09 0.06 -0.17 2.37 2.43 -0.83 -0.03 114.38 118.30 2ca9 h ARG 46 Ca 0.05 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2ca9 h ARG 46 Cb 0.26 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2ca9 h ARG 46 CO 0.00 0.04 0.02 1.49 -1.51 0.00 0.00 179.97 180.01 2ca9 h GLU 47 N 0.06 0.08 -0.35 0.20 4.81 -1.08 -1.48 114.58 116.82 2ca9 h GLU 47 Ca 0.15 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.23 2ca9 h GLU 47 Cb 0.21 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2ca9 h GLU 47 CO -0.28 0.05 -0.35 -0.22 -0.73 0.00 0.00 179.01 177.48 2ca9 h LYS 48 N 0.08 0.86 -0.98 1.92 1.63 -0.93 -2.02 116.57 117.13 2ca9 h LYS 48 Ca 0.08 -0.46 0.01 0.00 -0.85 0.00 0.00 60.65 59.43 2ca9 h LYS 48 Cb 0.08 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.68 2ca9 h LYS 48 CO -0.12 1.10 0.65 -0.07 -3.45 0.00 0.00 179.45 177.56 2ca9 h LEU 49 N 0.66 1.13 -0.01 5.20 3.38 -0.88 0.15 115.31 124.93 2ca9 h LEU 49 Ca 0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ca9 h LEU 49 Cb 0.94 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2ca9 h LEU 49 CO 0.09 0.82 0.00 0.58 0.09 0.00 0.00 178.44 180.02 2ca9 h VAL 50 N 1.33 1.11 -0.58 1.22 2.07 -1.18 -0.82 116.25 119.41 2ca9 h VAL 50 Ca 0.36 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.65 2ca9 h VAL 50 Cb -0.16 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 2ca9 h VAL 50 CO -0.08 0.09 0.17 -0.33 0.02 0.00 0.00 177.57 177.44 2ca9 h GLU 51 N -0.12 0.32 -0.64 1.57 5.08 -1.06 -1.40 114.58 118.32 2ca9 h GLU 51 Ca 0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2ca9 h GLU 51 Cb 0.14 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2ca9 h GLU 51 CO -0.00 0.21 0.22 -0.44 -1.00 0.00 0.00 179.01 178.00 2ca9 h ASP 52 N 0.33 0.88 -0.62 1.42 3.32 -0.87 -1.93 116.42 118.96 2ca9 h ASP 52 Ca 0.29 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2ca9 h ASP 52 Cb 0.39 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 2ca9 h ASP 52 CO -0.34 0.82 0.16 -1.13 -1.72 0.00 0.00 179.24 177.03 2ca9 h ASN 53 N 0.93 0.93 0.04 6.45 -0.73 -0.37 -2.77 115.58 120.06 2ca9 h ASN 53 Ca 0.21 -0.23 -0.09 0.00 1.87 0.00 0.00 56.30 58.06 2ca9 h ASN 53 Cb 0.23 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 2ca9 h ASN 53 CO -0.01 0.91 -0.29 -0.50 -0.37 0.00 0.00 177.43 177.17 2ca9 h TRP 54 N 0.90 0.42 -0.00 0.67 4.06 -1.00 -2.77 115.95 118.23 2ca9 h TRP 54 Ca 0.20 -0.09 -0.08 0.00 2.06 0.00 0.00 58.89 60.98 2ca9 h TRP 54 Cb 0.34 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 2ca9 h TRP 54 CO 0.02 0.63 -0.37 0.00 -3.56 0.00 0.00 178.44 175.17 2ca9 h ALA 55 N 1.37 1.38 -0.02 1.49 0.00 -1.14 -3.11 119.26 119.23 2ca9 h ALA 55 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2ca9 h ALA 55 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ca9 h ALA 55 CO 0.05 0.47 -0.03 -0.85 0.00 0.00 0.00 179.25 178.88 2ca9 n GLU 56 N -4.10 1.93 -1.32 0.00 0.28 -1.06 -4.97 120.64 111.40 2ca9 n GLU 56 Ca -0.02 -1.41 -0.58 0.00 -0.16 0.00 0.00 57.16 54.99 2ca9 n GLU 56 Cb 0.41 -1.47 -0.10 0.00 1.43 0.00 0.00 31.44 31.70 2ca9 n GLU 56 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2ca9 n ASP 57 N 0.69 0.85 -4.14 -1.84 5.75 -1.12 -4.91 116.55 111.83 2ca9 n ASP 57 Ca 0.16 0.80 -0.54 0.00 -0.01 0.00 0.00 54.79 55.20 2ca9 n ASP 57 Cb 0.48 -0.82 -0.07 0.00 -1.03 0.00 0.00 41.12 39.68 2ca9 n ASP 57 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2ca9 n ASN 58 N 5.70 -0.08 0.00 -1.12 2.85 -1.26 -4.86 115.26 116.49 2ca9 n ASN 58 Ca 0.42 1.07 0.10 0.00 -0.11 0.00 0.00 54.58 56.06 2ca9 n ASN 58 Cb -0.04 -0.85 0.44 0.00 1.24 0.00 0.00 39.78 40.57 2ca9 n ASN 58 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2ca9 n PRO 59 N 1.35 0.00 0.15 1.20 -0.05 -1.26 -2.35 135.00 134.04 2ca9 n PRO 59 Ca 0.18 0.14 0.10 0.00 -0.05 0.00 0.00 63.50 63.87 2ca9 n PRO 59 Cb 0.08 -1.50 0.06 0.00 -0.05 0.00 0.00 33.50 32.09 2ca9 n PRO 59 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 2ca9 h ASN 60 N 0.00 0.00 -3.32 3.54 2.35 -2.02 -3.46 115.58 112.67 2ca9 h ASN 60 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 2ca9 h ASN 60 Cb 0.35 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.78 2ca9 h ASN 60 CO 0.00 0.10 0.76 -0.62 -1.65 0.00 0.00 177.43 176.02 2ca9 s ASP 61 N -5.83 6.68 -0.02 5.81 -1.08 -0.99 -4.92 116.67 116.32 2ca9 s ASP 61 Ca 0.03 2.62 0.03 0.00 -0.52 0.00 0.00 52.55 54.71 2ca9 s ASP 61 Cb 0.08 -2.62 0.04 0.00 -1.46 0.00 0.00 42.92 38.96 2ca9 s ASP 61 CO 0.74 -0.69 1.01 -0.62 0.52 0.00 0.00 175.17 176.13 2ca9 n GLU 62 N 2.55 0.20 -0.09 4.34 -0.58 -1.26 -3.59 120.64 122.20 2ca9 n GLU 62 Ca 0.07 -1.22 0.07 0.00 -0.42 0.00 0.00 57.16 55.66 2ca9 n GLU 62 Cb 0.40 -0.65 0.11 0.00 -0.57 0.00 0.00 31.44 30.74 2ca9 n GLU 62 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2ca9 n SER 63 N -0.21 2.55 -4.76 1.62 3.41 -1.22 -3.10 113.62 111.91 2ca9 n SER 63 Ca 0.02 -1.75 -0.38 0.00 -0.26 0.00 0.00 58.87 56.50 2ca9 n SER 63 Cb 0.68 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.53 2ca9 n SER 63 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2ca9 s LYS 64 N -1.06 3.46 0.04 4.33 -0.14 -0.45 -4.76 119.74 121.16 2ca9 s LYS 64 Ca 0.21 2.13 0.07 0.00 -1.36 0.00 0.00 55.97 57.02 2ca9 s LYS 64 Cb 0.13 -2.40 -0.03 0.00 -1.68 0.00 0.00 37.83 33.84 2ca9 s LYS 64 CO 0.18 -0.90 -0.19 0.42 -0.76 0.00 0.00 175.35 174.10 2ca9 s ILE 65 N -1.35 2.72 0.18 2.17 -1.09 -1.26 -1.77 121.20 120.81 2ca9 s ILE 65 Ca 0.66 -1.22 -0.19 0.00 -2.23 0.00 0.00 60.65 57.67 2ca9 s ILE 65 Cb -0.38 -2.14 0.04 0.00 -1.58 0.00 0.00 42.46 38.40 2ca9 s ILE 65 CO 0.46 0.33 0.54 0.00 -1.23 0.00 0.00 174.94 175.04 2ca9 s ALA 66 N -0.92 -1.13 -0.12 9.38 0.00 -0.84 -2.74 121.76 125.39 2ca9 s ALA 66 Ca 0.14 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.11 2ca9 s ALA 66 Cb -0.10 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.86 2ca9 s ALA 66 CO 0.05 -0.79 -0.22 0.08 0.00 0.00 0.00 175.76 174.88 2ca9 s VAL 67 N -3.83 1.98 -0.23 0.00 1.01 -0.18 -1.18 120.40 117.96 2ca9 s VAL 67 Ca 0.06 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 2ca9 s VAL 67 Cb -0.01 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2ca9 s VAL 67 CO -0.06 0.54 0.29 -0.22 0.00 0.00 0.00 175.10 175.64 2ca9 s LEU 68 N 0.68 4.12 -0.20 3.92 2.96 0.91 -0.28 118.68 130.78 2ca9 s LEU 68 Ca -0.11 0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 54.02 2ca9 s LEU 68 Cb -0.16 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2ca9 s LEU 68 CO 0.02 -0.02 0.08 -0.69 -1.32 0.00 0.00 176.35 174.41 2ca9 s VAL 69 N 1.29 4.75 -0.05 1.68 1.01 0.00 -0.14 120.40 128.95 2ca9 s VAL 69 Ca 0.13 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2ca9 s VAL 69 Cb -0.14 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.08 2ca9 s VAL 69 CO 0.07 0.42 -0.10 -0.69 0.00 0.00 0.00 175.10 174.80 2ca9 s VAL 70 N 0.73 0.93 -0.14 2.92 1.01 -0.32 -0.90 120.40 124.62 2ca9 s VAL 70 Ca 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 2ca9 s VAL 70 Cb -0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2ca9 s VAL 70 CO 0.02 0.30 -0.10 -0.63 0.00 0.00 0.00 175.10 174.69 2ca9 s ILE 71 N 0.60 3.27 0.21 2.22 1.01 -0.21 -0.14 121.20 128.14 2ca9 s ILE 71 Ca -0.11 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 2ca9 s ILE 71 Cb -0.14 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 39.95 2ca9 s ILE 71 CO 0.02 0.51 0.48 -0.72 0.00 0.00 0.00 174.94 175.23 2ca9 s TYR 72 N 0.45 0.07 -0.60 3.97 -0.85 -0.56 -0.09 117.35 119.73 2ca9 s TYR 72 Ca -0.08 -0.43 -0.27 0.00 -0.52 0.00 0.00 57.07 55.77 2ca9 s TYR 72 Cb -0.15 0.29 0.03 0.00 0.38 0.00 0.00 41.96 42.51 2ca9 s TYR 72 CO 0.04 -0.92 1.17 0.34 -1.52 0.00 0.00 175.55 174.66 2ca9 s ASP 73 N -2.92 6.38 0.16 -0.18 -1.08 -0.39 -0.52 116.67 118.12 2ca9 s ASP 73 Ca 0.13 -0.07 0.22 0.00 -0.52 0.00 0.00 52.55 52.31 2ca9 s ASP 73 Cb -0.00 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.80 2ca9 s ASP 73 CO 0.01 -1.51 1.67 0.00 0.52 0.00 0.00 175.17 175.86 2ca9 n HIS 74 N 8.45 0.54 1.29 -5.34 1.44 -1.26 -1.88 115.22 118.45 2ca9 n HIS 74 Ca 0.06 0.20 0.12 0.00 -2.01 0.00 0.00 57.72 56.09 2ca9 n HIS 74 Cb 0.49 -0.82 0.42 0.00 0.12 0.00 0.00 29.99 30.20 2ca9 n HIS 74 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2ca9 n HIS 75 N -1.98 0.14 -2.79 -1.40 8.25 -1.26 -4.75 115.22 111.43 2ca9 n HIS 75 Ca 0.03 -0.07 -0.43 0.00 -0.26 0.00 0.00 57.72 57.00 2ca9 n HIS 75 Cb 0.25 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.33 2ca9 n HIS 75 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2ca9 s GLN 76 N -1.86 3.16 0.29 -0.41 0.74 -0.79 -5.00 119.66 115.78 2ca9 s GLN 76 Ca 0.35 -0.63 -0.29 0.00 0.05 0.00 0.00 55.36 54.84 2ca9 s GLN 76 Cb 0.19 -4.19 -0.14 0.00 1.10 0.00 0.00 33.01 29.97 2ca9 s GLN 76 CO 0.29 -1.83 1.12 -2.13 -0.55 0.00 0.00 175.29 172.19 2ca9 n ARG 77 N 8.00 1.57 0.00 1.67 0.63 -1.26 -2.25 116.66 125.02 2ca9 n ARG 77 Ca -0.02 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 2ca9 n ARG 77 Cb 0.46 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.37 2ca9 n ARG 77 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2ca9 n GLU 78 N 0.87 0.00 -0.23 -0.14 4.07 -1.26 -4.86 120.64 119.09 2ca9 n GLU 78 Ca 0.09 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.21 2ca9 n GLU 78 Cb 0.32 -0.99 0.14 0.00 -0.06 0.00 0.00 31.44 30.85 2ca9 n GLU 78 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2ca9 h LEU 79 N 0.00 0.35 0.09 4.31 5.85 -1.82 -1.51 115.31 122.57 2ca9 h LEU 79 Ca 0.00 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2ca9 h LEU 79 Cb 0.00 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2ca9 h LEU 79 CO 0.00 0.19 -0.20 -1.13 -0.34 0.00 0.00 178.44 176.96 2ca9 h ASN 80 N 0.51 -0.55 -0.89 1.25 -0.73 -1.89 -1.06 115.58 112.22 2ca9 h ASN 80 Ca 0.35 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.58 2ca9 h ASN 80 Cb 0.43 0.21 -0.04 0.00 0.27 0.00 0.00 38.32 39.19 2ca9 h ASN 80 CO -0.31 -0.27 0.53 -0.61 -0.37 0.00 0.00 177.43 176.39 2ca9 h GLN 81 N -0.36 1.21 -0.29 6.67 5.75 -1.91 -0.77 115.11 125.41 2ca9 h GLN 81 Ca 0.03 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2ca9 h GLN 81 Cb 0.39 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 2ca9 h GLN 81 CO -0.12 0.86 0.17 -0.09 -2.65 0.00 0.00 178.83 176.99 2ca9 h ARG 82 N 1.23 0.34 -0.39 1.69 2.43 -1.01 0.24 114.38 118.90 2ca9 h ARG 82 Ca 0.32 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.51 2ca9 h ARG 82 Cb -0.03 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 2ca9 h ARG 82 CO -0.06 0.22 0.15 0.52 -1.51 0.00 0.00 179.97 179.30 2ca9 h MET 83 N 0.35 0.31 -0.37 0.20 2.86 -0.86 -0.52 114.93 116.91 2ca9 h MET 83 Ca 0.12 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2ca9 h MET 83 Cb 0.00 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 2ca9 h MET 83 CO -0.06 0.21 0.17 0.82 1.06 0.00 0.00 176.91 179.11 2ca9 h ILE 84 N 0.32 0.96 -0.76 -1.22 2.04 -0.74 -0.14 117.51 117.98 2ca9 h ILE 84 Ca 0.18 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 2ca9 h ILE 84 Cb 0.14 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2ca9 h ILE 84 CO -0.17 0.06 0.33 0.44 0.00 0.00 0.00 178.15 178.82 2ca9 h ASP 85 N 0.35 1.03 -0.35 1.72 3.32 -0.25 0.13 116.42 122.38 2ca9 h ASP 85 Ca 0.16 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2ca9 h ASP 85 Cb 0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2ca9 h ASP 85 CO -0.12 0.91 0.18 0.40 -1.72 0.00 0.00 179.24 178.88 2ca9 h ILE 86 N 1.09 1.15 -0.23 0.35 2.04 -0.78 -1.84 117.51 119.29 2ca9 h ILE 86 Ca 0.26 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2ca9 h ILE 86 Cb 0.18 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2ca9 h ILE 86 CO -0.03 0.15 0.15 -0.61 0.00 0.00 0.00 178.15 177.81 2ca9 h GLN 87 N 0.43 0.30 -0.52 2.37 -0.00 -0.61 -1.45 115.11 115.63 2ca9 h GLN 87 Ca 0.12 -0.02 0.07 0.00 -0.00 0.00 0.00 58.65 58.82 2ca9 h GLN 87 Cb 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.46 2ca9 h GLN 87 CO -0.02 0.22 0.35 0.45 0.00 0.00 0.00 178.83 179.83 2ca9 h HIS 88 N 0.30 0.45 -0.00 3.99 3.86 -0.61 -1.19 115.15 121.95 2ca9 h HIS 88 Ca 0.08 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2ca9 h HIS 88 Cb -0.02 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2ca9 h HIS 88 CO -0.06 0.24 -0.19 0.00 0.86 0.00 0.00 177.93 178.78 2ca9 n ALA 89 N -2.51 2.86 0.20 2.45 0.00 -0.71 -4.27 120.51 118.54 2ca9 n ALA 89 Ca 0.07 -0.25 0.07 0.00 0.00 0.00 0.00 53.44 53.34 2ca9 n ALA 89 Cb 0.27 -1.31 0.40 0.00 0.00 0.00 0.00 19.45 18.81 2ca9 n ALA 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ca9 h SER 90 N 0.27 0.00 0.00 0.00 4.64 -0.14 -3.47 113.55 114.86 2ca9 h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ca9 h SER 90 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2ca9 h SER 90 CO 0.00 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 2ca9 n GLY 91 N 0.08 2.20 3.83 -0.77 0.00 -1.26 -4.76 105.19 104.51 2ca9 n GLY 91 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2ca9 n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ca9 s THR 92 N -2.37 2.97 -0.22 2.61 -4.23 -1.26 -4.89 115.64 108.25 2ca9 s THR 92 Ca 0.00 0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 2ca9 s THR 92 Cb 0.00 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.71 2ca9 s THR 92 CO 0.00 -0.41 -0.09 -1.00 -0.54 0.00 0.00 174.62 172.58 2ca9 s HIS 93 N -3.24 2.93 -0.16 3.99 0.09 0.16 -4.96 115.29 114.09 2ca9 s HIS 93 Ca 0.61 -1.28 -0.29 0.00 -0.00 0.00 0.00 55.06 54.10 2ca9 s HIS 93 Cb -0.13 -2.04 -0.01 0.00 -0.00 0.00 0.00 32.58 30.40 2ca9 s HIS 93 CO 0.53 -0.66 1.11 0.08 -0.00 0.00 0.00 174.74 175.80 2ca9 s VAL 94 N 1.39 4.54 -0.06 -0.90 1.01 -1.26 -0.40 120.40 124.72 2ca9 s VAL 94 Ca 0.04 1.85 0.07 0.00 0.00 0.00 0.00 61.98 63.94 2ca9 s VAL 94 Cb -0.14 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 31.81 2ca9 s VAL 94 CO -0.06 -0.10 0.58 0.18 0.00 0.00 0.00 175.10 175.69 2ca9 n LEU 95 N 5.93 1.40 -3.63 3.92 4.77 0.21 -4.97 117.00 124.64 2ca9 n LEU 95 Ca 0.12 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.36 2ca9 n LEU 95 Cb 0.46 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 2ca9 n LEU 95 CO 0.53 0.53 0.77 0.00 -1.33 0.00 0.00 177.39 177.89 2ca9 s THR 97 N -0.05 1.06 -0.02 0.00 -4.23 -1.26 -0.19 115.64 110.96 2ca9 s THR 97 Ca 0.03 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.65 2ca9 s THR 97 Cb -0.04 -0.96 -0.01 0.00 1.34 0.00 0.00 72.50 72.83 2ca9 s THR 97 CO -0.05 0.03 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.02 2ca9 s THR 98 N -0.78 1.20 -0.05 3.99 2.01 -0.28 -4.98 115.64 116.76 2ca9 s THR 98 Ca 0.02 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.44 2ca9 s THR 98 Cb -0.07 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2ca9 s THR 98 CO 0.01 0.34 -0.23 -1.00 -0.69 0.00 0.00 174.62 173.06 2ca9 s HIS 99 N -0.23 2.22 0.06 4.92 3.76 -1.26 -0.69 115.29 124.07 2ca9 s HIS 99 Ca 0.03 -0.64 0.06 0.00 -0.15 0.00 0.00 55.06 54.36 2ca9 s HIS 99 Cb -0.07 -1.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 2ca9 s HIS 99 CO 0.00 -0.19 -0.16 0.96 -0.85 0.00 0.00 174.74 174.50 2ca9 s ILE 100 N -0.14 1.30 -0.31 0.60 -4.36 -0.03 -5.00 121.20 113.26 2ca9 s ILE 100 Ca -0.03 -1.24 -0.19 0.00 -0.26 0.00 0.00 60.65 58.94 2ca9 s ILE 100 Cb -0.13 -1.19 -0.01 0.00 1.25 0.00 0.00 42.46 42.38 2ca9 s ILE 100 CO 0.03 -0.06 0.57 -1.00 0.24 0.00 0.00 174.94 174.72 2ca9 s HIS 101 N -1.05 3.21 0.05 1.37 3.76 -1.26 -0.87 115.29 120.49 2ca9 s HIS 101 Ca 0.02 0.45 -0.16 0.00 -0.15 0.00 0.00 55.06 55.21 2ca9 s HIS 101 Cb -0.09 -2.93 -0.19 0.00 1.11 0.00 0.00 32.58 30.47 2ca9 s HIS 101 CO 0.02 -0.47 1.21 0.52 -0.85 0.00 0.00 174.74 175.18 2ca9 h MET 102 N 8.27 0.59 0.00 1.40 0.00 -0.91 -3.48 114.93 120.79 2ca9 h MET 102 Ca -0.28 -0.53 0.00 0.00 0.00 0.00 0.00 59.70 58.90 2ca9 h MET 102 Cb 1.12 0.13 0.00 0.00 0.00 0.00 0.00 31.60 32.85 2ca9 h MET 102 CO 0.78 1.15 0.00 -0.40 0.00 0.00 0.00 176.91 178.44 2ca9 n ASP 103 N -4.11 0.00 0.26 1.22 5.68 -0.94 -4.95 116.55 113.71 2ca9 n ASP 103 Ca -0.09 -0.39 0.14 0.00 -0.50 0.00 0.00 54.79 53.96 2ca9 n ASP 103 Cb 0.69 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.32 2ca9 n ASP 103 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2ca9 h GLU 104 N 0.00 0.00 -0.00 0.11 3.07 -2.03 -3.20 114.58 112.53 2ca9 h GLU 104 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2ca9 h GLU 104 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2ca9 h GLU 104 CO 0.00 0.09 -0.30 0.72 -1.40 0.00 0.00 179.01 178.13 2ca9 n HIS 105 N -3.27 0.00 -4.85 4.33 8.25 -1.26 -4.40 115.22 114.02 2ca9 n HIS 105 Ca -0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 2ca9 n HIS 105 Cb 0.32 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.27 2ca9 n HIS 105 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2ca9 s ASN 106 N -1.54 2.26 -0.02 0.41 0.01 -1.21 -3.80 114.94 111.05 2ca9 s ASN 106 Ca 0.05 -0.39 0.06 0.00 -0.71 0.00 0.00 52.86 51.87 2ca9 s ASN 106 Cb 0.06 -0.88 -0.02 0.00 0.41 0.00 0.00 41.25 40.82 2ca9 s ASN 106 CO 0.28 0.11 -0.21 0.00 -1.51 0.00 0.00 177.10 175.78 2ca9 s LEU 108 N -0.77 3.29 -0.03 0.00 0.20 -0.05 -1.50 118.68 119.82 2ca9 s LEU 108 Ca 0.11 -0.10 0.07 0.00 0.69 0.00 0.00 54.13 54.90 2ca9 s LEU 108 Cb -0.10 -1.79 -0.02 0.00 -0.43 0.00 0.00 46.19 43.85 2ca9 s LEU 108 CO 0.00 0.19 -0.25 -0.70 -0.29 0.00 0.00 176.35 175.30 2ca9 s GLU 109 N 0.25 2.13 -0.12 1.98 2.12 0.80 -0.85 118.70 125.00 2ca9 s GLU 109 Ca -0.02 -0.90 -0.01 0.00 0.36 0.00 0.00 54.97 54.40 2ca9 s GLU 109 Cb -0.14 -2.01 -0.02 0.00 0.26 0.00 0.00 34.13 32.22 2ca9 s GLU 109 CO 0.03 0.51 -0.09 0.95 -0.54 0.00 0.00 175.26 176.12 2ca9 s THR 110 N -0.52 3.42 -0.17 -1.70 -4.23 0.13 -1.17 115.64 111.40 2ca9 s THR 110 Ca 0.07 -0.54 0.01 0.00 -1.18 0.00 0.00 61.69 60.05 2ca9 s THR 110 Cb -0.10 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 71.31 2ca9 s THR 110 CO -0.00 0.53 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.78 2ca9 s ILE 111 N 0.10 2.02 -0.26 2.99 1.01 0.80 -1.12 121.20 126.74 2ca9 s ILE 111 Ca -0.04 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 2ca9 s ILE 111 Cb -0.14 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 2ca9 s ILE 111 CO 0.04 0.53 0.38 -0.63 0.00 0.00 0.00 174.94 175.26 2ca9 s ILE 112 N 1.28 5.17 0.06 2.92 1.01 0.74 -0.06 121.20 132.32 2ca9 s ILE 112 Ca 0.04 0.61 0.09 0.00 0.00 0.00 0.00 60.65 61.39 2ca9 s ILE 112 Cb -0.13 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2ca9 s ILE 112 CO -0.12 0.17 -0.24 -0.76 0.00 0.00 0.00 174.94 173.99 2ca9 s LEU 113 N 1.94 2.20 -0.02 2.97 1.43 -0.33 0.68 118.68 127.55 2ca9 s LEU 113 Ca 0.16 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2ca9 s LEU 113 Cb -0.16 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.93 2ca9 s LEU 113 CO 0.09 0.19 -0.11 -1.58 0.23 0.00 0.00 176.35 175.18 2ca9 s GLN 114 N -1.40 1.05 0.00 1.70 0.74 0.47 -1.98 119.66 120.24 2ca9 s GLN 114 Ca 0.10 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.11 2ca9 s GLN 114 Cb -0.10 -0.98 0.00 0.00 1.10 0.00 0.00 33.01 33.03 2ca9 s GLN 114 CO 0.03 0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.38 2ca9 n GLY 115 N 3.02 -0.78 3.91 2.59 0.00 -0.73 0.37 105.19 113.57 2ca9 n GLY 115 Ca -0.16 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 2ca9 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ca9 s ASN 116 N -4.00 6.32 0.41 1.61 2.20 -1.24 -1.34 114.94 118.90 2ca9 s ASN 116 Ca 0.00 0.78 0.08 0.00 -0.94 0.00 0.00 52.86 52.78 2ca9 s ASN 116 Cb 0.00 -2.18 0.86 0.00 -2.00 0.00 0.00 41.25 37.93 2ca9 s ASN 116 CO 0.00 -0.43 2.03 0.77 -2.94 0.00 0.00 177.10 176.53 2ca9 h SER 117 N 0.68 0.39 1.00 3.54 4.64 -1.87 -1.39 113.55 120.55 2ca9 h SER 117 Ca -0.48 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 2ca9 h SER 117 Cb 1.20 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2ca9 h SER 117 CO 0.62 0.34 -1.02 -0.26 -0.87 0.00 0.00 176.83 175.64 2ca9 h PHE 118 N 0.45 0.00 -0.21 4.77 -1.00 -1.93 -1.06 116.94 117.96 2ca9 h PHE 118 Ca 0.12 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.83 2ca9 h PHE 118 Cb 0.04 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 2ca9 h PHE 118 CO 0.00 0.11 -0.11 0.93 -1.61 0.00 0.00 178.31 177.63 2ca9 h GLU 119 N 0.00 0.44 -0.40 1.51 5.08 -1.78 -1.94 114.58 117.49 2ca9 h GLU 119 Ca -0.03 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2ca9 h GLU 119 Cb 1.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2ca9 h GLU 119 CO 0.01 0.74 0.19 0.82 -1.00 0.00 0.00 179.01 179.77 2ca9 h ILE 120 N 0.14 1.18 -0.47 3.13 2.04 -1.31 -1.68 117.51 120.53 2ca9 h ILE 120 Ca 0.04 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 2ca9 h ILE 120 Cb 0.61 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2ca9 h ILE 120 CO 0.03 0.19 0.03 -0.61 0.00 0.00 0.00 178.15 177.79 2ca9 h GLN 121 N 0.51 0.75 -0.23 2.37 5.75 -1.24 -2.51 115.11 120.52 2ca9 h GLN 121 Ca 0.14 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 2ca9 h GLN 121 Cb 0.12 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 2ca9 h GLN 121 CO -0.02 0.75 0.04 -0.09 -2.65 0.00 0.00 178.83 176.86 2ca9 h ARG 122 N 0.71 0.37 -0.57 1.69 2.43 -1.26 -1.50 114.38 116.26 2ca9 h ARG 122 Ca 0.14 -0.10 0.11 0.00 -0.81 0.00 0.00 59.98 59.33 2ca9 h ARG 122 Cb 0.40 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.81 2ca9 h ARG 122 CO 0.01 0.50 0.06 1.25 -1.51 0.00 0.00 179.97 180.28 2ca9 h LEU 123 N 0.18 -0.13 -0.56 3.80 5.85 -1.05 0.45 115.31 123.86 2ca9 h LEU 123 Ca 0.07 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2ca9 h LEU 123 Cb 0.30 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2ca9 h LEU 123 CO 0.00 -0.05 0.35 -0.61 -0.34 0.00 0.00 178.44 177.80 2ca9 h GLN 124 N 0.18 0.68 -0.32 1.25 -0.00 -1.12 0.11 115.11 115.89 2ca9 h GLN 124 Ca 0.29 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.85 2ca9 h GLN 124 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 2ca9 h GLN 124 CO -0.43 0.45 -0.01 -0.07 0.00 0.00 0.00 178.83 178.77 2ca9 h LEU 125 N 0.70 0.56 0.00 -2.39 3.38 -0.50 0.17 115.31 117.23 2ca9 h LEU 125 Ca 0.22 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2ca9 h LEU 125 Cb -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2ca9 h LEU 125 CO -0.08 0.74 -0.00 -0.33 0.09 0.00 0.00 178.44 178.86 2ca9 h GLU 126 N 0.37 -0.00 -0.52 1.13 5.08 -0.75 -2.81 114.58 117.08 2ca9 h GLU 126 Ca 0.09 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 2ca9 h GLU 126 Cb 0.46 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 2ca9 h GLU 126 CO 0.02 0.40 0.13 0.82 -1.00 0.00 0.00 179.01 179.38 2ca9 h ILE 127 N -0.40 0.74 0.00 3.13 1.08 -0.97 -2.47 117.51 118.62 2ca9 h ILE 127 Ca -0.00 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2ca9 h ILE 127 Cb 0.40 0.44 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 2ca9 h ILE 127 CO 0.00 0.05 -0.02 1.23 -0.69 0.00 0.00 178.15 178.73 2ca9 h GLY 128 N 0.28 0.00 1.51 5.37 0.00 -0.51 -2.23 103.07 107.49 2ca9 h GLY 128 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2ca9 h GLY 128 CO -0.31 0.00 -0.09 0.61 0.00 0.00 0.00 176.54 176.75 2ca9 n GLY 129 N -0.95 -1.28 3.77 4.60 0.00 -0.93 -4.90 105.19 105.50 2ca9 n GLY 129 Ca -0.02 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2ca9 n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ca9 s LEU 130 N -2.76 4.36 0.23 0.99 1.43 -0.84 -4.99 118.68 117.10 2ca9 s LEU 130 Ca 0.21 2.02 -0.31 0.00 -1.03 0.00 0.00 54.13 55.03 2ca9 s LEU 130 Cb 0.19 -3.93 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 2ca9 s LEU 130 CO 0.52 -0.20 1.52 -0.60 0.23 0.00 0.00 176.35 177.82 2ca9 s ARG 131 N -1.94 4.22 0.00 1.70 3.00 -1.26 -2.13 118.95 122.54 2ca9 s ARG 131 Ca 0.50 2.38 0.00 0.00 -1.00 0.00 0.00 55.73 57.61 2ca9 s ARG 131 Cb -0.24 -3.11 0.00 0.00 0.00 0.00 0.00 34.95 31.60 2ca9 s ARG 131 CO 0.30 -0.53 0.00 0.41 0.00 0.00 0.00 175.30 175.48 2ca9 n GLY 132 N 2.80 1.73 3.62 8.12 0.00 -1.26 -4.97 105.19 115.23 2ca9 n GLY 132 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2ca9 n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ca9 s VAL 133 N -2.48 4.96 -0.14 1.61 1.01 -0.90 -1.26 120.40 123.19 2ca9 s VAL 133 Ca 0.00 1.07 0.21 0.00 0.00 0.00 0.00 61.98 63.27 2ca9 s VAL 133 Cb 0.00 -3.97 -0.16 0.00 0.00 0.00 0.00 36.38 32.25 2ca9 s VAL 133 CO 0.00 -0.04 0.75 0.29 0.00 0.00 0.00 175.10 176.10 2ca9 n LYS 134 N 5.79 0.63 -3.64 2.72 4.01 0.87 -4.86 118.16 123.69 2ca9 n LYS 134 Ca -0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.73 2ca9 n LYS 134 Cb 0.49 -1.69 -0.07 0.00 -0.51 0.00 0.00 35.03 33.25 2ca9 n LYS 134 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2ca9 s PHE 135 N -3.33 -0.71 -0.28 2.13 5.36 -1.11 -4.96 117.98 115.08 2ca9 s PHE 135 Ca -0.04 1.51 0.01 0.00 -0.96 0.00 0.00 56.93 57.45 2ca9 s PHE 135 Cb 0.11 0.42 0.16 0.00 -0.34 0.00 0.00 43.02 43.37 2ca9 s PHE 135 CO 0.84 -0.35 0.46 0.00 -1.46 0.00 0.00 175.22 174.71 2ca9 s ALA 136 N 1.04 -1.51 -0.05 11.12 0.00 -1.25 -1.05 121.76 130.06 2ca9 s ALA 136 Ca -0.05 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.72 2ca9 s ALA 136 Cb -0.04 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 21.05 2ca9 s ALA 136 CO -0.12 -1.56 -0.09 0.21 0.00 0.00 0.00 175.76 174.20 2ca9 s LYS 137 N 2.63 1.27 0.04 0.00 2.20 -0.08 -4.91 119.74 120.90 2ca9 s LYS 137 Ca 0.12 -0.27 -0.22 0.00 -0.36 0.00 0.00 55.97 55.24 2ca9 s LYS 137 Cb -0.13 -1.12 -0.06 0.00 -1.51 0.00 0.00 37.83 35.01 2ca9 s LYS 137 CO -0.24 -0.01 0.65 -0.51 -0.36 0.00 0.00 175.35 174.88 2ca9 s LEU 138 N 0.73 4.46 -0.30 5.43 1.43 -1.26 -0.82 118.68 128.35 2ca9 s LEU 138 Ca -0.13 1.30 -0.10 0.00 -1.03 0.00 0.00 54.13 54.17 2ca9 s LEU 138 Cb -0.15 -3.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 2ca9 s LEU 138 CO 0.02 0.11 0.15 -0.89 0.23 0.00 0.00 176.35 175.98 2ca9 s THR 139 N -0.38 4.68 -0.03 5.49 2.01 0.61 -4.97 115.64 123.04 2ca9 s THR 139 Ca 0.33 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 2ca9 s THR 139 Cb -0.19 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2ca9 s THR 139 CO 0.20 0.11 0.18 -0.54 -0.69 0.00 0.00 174.62 173.88 2ca9 s LYS 140 N 1.63 3.44 0.14 4.92 1.02 -1.26 -1.01 119.74 128.62 2ca9 s LYS 140 Ca 0.05 -0.27 0.09 0.00 0.02 0.00 0.00 55.97 55.86 2ca9 s LYS 140 Cb -0.17 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2ca9 s LYS 140 CO 0.07 0.70 -0.21 0.00 -0.92 0.00 0.00 175.35 174.99 2ca9 s ALA 141 N -1.26 2.03 0.03 5.17 0.00 -1.11 -5.03 121.76 121.60 2ca9 s ALA 141 Ca 0.25 -1.42 0.06 0.00 0.00 0.00 0.00 51.96 50.85 2ca9 s ALA 141 Cb -0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2ca9 s ALA 141 CO 0.15 0.33 -0.18 -1.12 0.00 0.00 0.00 175.76 174.95 2ca9 s SER 142 N -2.33 2.13 0.58 0.00 0.01 -1.26 -4.38 113.70 108.45 2ca9 s SER 142 Ca 0.13 -0.45 0.28 0.00 1.31 0.00 0.00 55.95 57.22 2ca9 s SER 142 Cb -0.08 -0.18 1.63 0.00 0.21 0.00 0.00 66.02 67.60 2ca9 s SER 142 CO 0.06 0.14 2.11 0.77 0.41 0.00 0.00 173.24 176.72 2ca9 h SER 143 N 5.10 0.00 0.23 2.44 4.64 -1.98 0.14 113.55 124.12 2ca9 h SER 143 Ca -0.40 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2ca9 h SER 143 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2ca9 h SER 143 CO 0.45 0.00 -0.01 2.19 -0.87 0.00 0.00 176.83 178.58 2ca9 h PHE 144 N 0.00 0.00 0.00 4.77 -5.15 -1.96 0.15 116.94 114.75 2ca9 h PHE 144 Ca 0.09 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.73 2ca9 h PHE 144 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.62 2ca9 h PHE 144 CO 0.00 0.01 -0.62 0.93 -2.00 0.00 0.00 178.31 176.63 2ca9 h GLU 145 N 0.00 0.00 0.00 6.09 5.08 -1.13 -3.39 114.58 121.23 2ca9 h GLU 145 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ca9 h GLU 145 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2ca9 h GLU 145 CO 0.00 0.62 0.00 2.48 -1.00 0.00 0.00 179.01 181.12 2ca9 n TYR 146 N -3.41 0.00 0.92 4.33 0.18 -0.88 -5.09 117.16 113.22 2ca9 n TYR 146 Ca 0.00 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.90 2ca9 n TYR 146 Cb 0.72 0.00 0.09 0.00 -0.38 0.00 0.00 39.34 39.77 2ca9 n TYR 146 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87