#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c57 s LYS 2 N 0.00 4.18 -0.10 2.12 1.02 -1.24 -2.03 119.74 123.69 2c57 s LYS 2 Ca 0.00 -0.05 0.03 0.00 0.02 0.00 0.00 55.97 55.96 2c57 s LYS 2 Cb 0.00 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 2c57 s LYS 2 CO 0.00 0.15 -0.18 0.42 -0.92 0.00 0.00 175.35 174.82 2c57 s ILE 3 N 0.76 2.66 -0.18 2.17 -1.09 0.13 -0.56 121.20 125.08 2c57 s ILE 3 Ca 0.13 -0.82 -0.13 0.00 -2.23 0.00 0.00 60.65 57.59 2c57 s ILE 3 Cb -0.13 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.65 2c57 s ILE 3 CO 0.03 0.55 0.28 -0.22 -1.23 0.00 0.00 174.94 174.35 2c57 s LEU 4 N 0.05 4.21 -0.23 2.97 2.96 -0.02 -1.68 118.68 126.94 2c57 s LEU 4 Ca -0.07 0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 54.21 2c57 s LEU 4 Cb -0.15 -2.34 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 2c57 s LEU 4 CO 0.05 0.07 0.00 -0.69 -1.32 0.00 0.00 176.35 174.46 2c57 s VAL 5 N 0.70 3.74 -0.26 1.68 1.01 0.24 -0.99 120.40 126.51 2c57 s VAL 5 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2c57 s VAL 5 Cb -0.13 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.56 2c57 s VAL 5 CO 0.04 0.38 -0.05 -0.63 0.00 0.00 0.00 175.10 174.84 2c57 s ILE 6 N 1.53 2.82 -0.20 2.22 1.01 0.30 -0.60 121.20 128.28 2c57 s ILE 6 Ca 0.06 -1.20 -0.11 0.00 0.00 0.00 0.00 60.65 59.40 2c57 s ILE 6 Cb -0.15 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 2c57 s ILE 6 CO -0.01 0.08 0.17 -1.10 0.00 0.00 0.00 174.94 174.08 2c57 s GLN 7 N 1.28 4.18 0.00 2.79 -1.52 0.14 -0.52 119.66 126.00 2c57 s GLN 7 Ca -0.02 -0.17 0.00 0.00 -1.95 0.00 0.00 55.36 53.21 2c57 s GLN 7 Cb -0.18 -3.45 0.00 0.00 -0.22 0.00 0.00 33.01 29.16 2c57 s GLN 7 CO -0.04 0.24 0.00 0.41 -0.25 0.00 0.00 175.29 175.65 2c57 n GLY 8 N 3.66 -0.30 3.60 3.09 0.00 -0.12 -0.92 105.19 114.22 2c57 n GLY 8 Ca -0.15 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 2c57 n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2c57 n PRO 9 N -0.97 0.42 0.00 1.61 -0.04 -0.92 -2.41 135.00 132.69 2c57 n PRO 9 Ca 0.00 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2c57 n PRO 9 Cb 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 2c57 n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2c57 n ASN 10 N -1.77 0.00 0.09 3.54 3.02 -1.26 -4.67 115.26 114.21 2c57 n ASN 10 Ca 0.13 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.88 2c57 n ASN 10 Cb 0.50 -0.59 0.74 0.00 -0.61 0.00 0.00 39.78 39.81 2c57 n ASN 10 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2c57 h LEU 11 N 0.00 0.00 -0.94 3.41 3.38 -1.84 0.76 115.31 120.09 2c57 h LEU 11 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2c57 h LEU 11 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2c57 h LEU 11 CO 0.00 0.00 0.00 -0.55 0.09 0.00 0.00 178.44 177.98 2c57 h ASN 12 N 0.00 0.00 0.00 -0.43 -1.07 -1.85 -3.25 115.58 108.97 2c57 h ASN 12 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.57 2c57 h ASN 12 Cb 1.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.38 2c57 h ASN 12 CO -0.00 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.73 2c57 n MET 13 N -2.73 0.98 -2.15 4.14 2.81 0.27 -4.65 117.12 115.79 2c57 n MET 13 Ca 0.02 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 2c57 n MET 13 Cb 0.31 -1.07 -0.03 0.00 -0.71 0.00 0.00 33.22 31.72 2c57 n MET 13 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2c57 s LEU 14 N -1.13 4.35 0.00 4.03 1.43 -1.23 -2.06 118.68 124.07 2c57 s LEU 14 Ca 0.06 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 2c57 s LEU 14 Cb 0.03 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.68 2c57 s LEU 14 CO 0.05 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.52 2c57 n GLY 15 N 3.64 0.70 0.13 -3.19 0.00 -1.19 -3.95 105.19 101.34 2c57 n GLY 15 Ca 0.13 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 2c57 n GLY 15 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2c57 n HIS 16 N 0.00 0.37 0.00 1.61 1.44 -0.87 -4.93 115.22 112.84 2c57 n HIS 16 Ca 0.00 0.10 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 2c57 n HIS 16 Cb 0.00 -1.05 0.00 0.00 0.12 0.00 0.00 29.99 29.06 2c57 n HIS 16 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2c57 n ARG 17 N -3.62 0.00 -0.28 -1.40 1.85 -0.95 -5.16 116.66 107.09 2c57 n ARG 17 Ca -0.43 0.58 -0.15 0.00 -1.00 0.00 0.00 57.85 56.84 2c57 n ARG 17 Cb 0.95 -1.44 0.15 0.00 -1.05 0.00 0.00 32.46 31.07 2c57 n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2c57 n GLY 23 N -0.96 -2.68 2.48 2.89 0.00 -1.26 -5.12 105.19 100.55 2c57 n GLY 23 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 2c57 n GLY 23 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2c57 n MET 24 N -2.62 2.60 -4.70 1.61 0.00 -1.26 -4.65 117.12 108.10 2c57 n MET 24 Ca 0.07 -1.67 -0.23 0.00 -0.00 0.00 0.00 57.70 55.87 2c57 n MET 24 Cb 0.30 -2.54 -0.15 0.00 0.00 0.00 0.00 33.22 30.83 2c57 n MET 24 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2c57 s VAL 25 N 2.88 1.21 0.51 1.12 1.01 -1.26 -4.90 120.40 120.97 2c57 s VAL 25 Ca 0.50 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 2c57 s VAL 25 Cb 0.14 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 2c57 s VAL 25 CO -0.04 0.35 0.79 0.42 0.00 0.00 0.00 175.10 176.61 2c57 s THR 26 N -0.21 4.13 0.22 3.92 -4.23 -1.25 -3.14 115.64 115.06 2c57 s THR 26 Ca 0.03 -0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.37 2c57 s THR 26 Cb -0.07 -3.58 0.09 0.00 1.34 0.00 0.00 72.50 70.27 2c57 s THR 26 CO 0.00 -0.53 1.69 0.25 -0.54 0.00 0.00 174.62 175.50 2c57 h LEU 27 N 0.13 0.92 -0.75 4.79 5.85 -1.81 -2.35 115.31 122.09 2c57 h LEU 27 Ca -0.46 -0.25 0.15 0.00 0.84 0.00 0.00 57.88 58.16 2c57 h LEU 27 Cb 1.24 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 2c57 h LEU 27 CO 0.60 0.98 0.28 0.44 -0.34 0.00 0.00 178.44 180.40 2c57 h ASP 28 N 0.87 0.23 -0.12 1.25 3.32 -1.94 -0.88 116.42 119.15 2c57 h ASP 28 Ca 0.16 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 2c57 h ASP 28 Cb 0.52 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2c57 h ASP 28 CO 0.03 0.07 -0.13 1.56 -1.72 0.00 0.00 179.24 179.05 2c57 h GLN 29 N 0.40 0.46 -0.34 3.56 4.20 -1.87 -0.33 115.11 121.20 2c57 h GLN 29 Ca 0.42 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 2c57 h GLN 29 Cb 0.66 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2c57 h GLN 29 CO -0.43 0.59 0.05 0.82 -0.67 0.00 0.00 178.83 179.20 2c57 h ILE 30 N 0.43 1.24 -0.33 2.54 2.04 -0.68 -0.48 117.51 122.27 2c57 h ILE 30 Ca 0.08 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 2c57 h ILE 30 Cb 0.48 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2c57 h ILE 30 CO 0.03 0.28 0.03 0.45 0.00 0.00 0.00 178.15 178.94 2c57 h HIS 31 N 0.40 0.59 0.00 1.37 3.86 -0.85 -1.83 115.15 118.68 2c57 h HIS 31 Ca 0.10 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 2c57 h HIS 31 Cb 0.35 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 2c57 h HIS 31 CO 0.02 0.64 -0.20 1.05 0.86 0.00 0.00 177.93 180.30 2c57 h GLU 32 N 0.37 0.00 0.25 2.45 4.11 -0.97 -1.49 114.58 119.31 2c57 h GLU 32 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.52 2c57 h GLU 32 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2c57 h GLU 32 CO 0.01 0.20 -0.18 0.82 0.07 0.00 0.00 179.01 179.93 2c57 h ILE 33 N 0.00 0.62 -0.54 -1.06 2.04 -0.30 0.47 117.51 118.74 2c57 h ILE 33 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2c57 h ILE 33 Cb 0.36 0.62 -0.10 0.00 -0.74 0.00 0.00 36.82 36.95 2c57 h ILE 33 CO 0.03 0.00 -0.41 0.24 0.00 0.00 0.00 178.15 178.01 2c57 h MET 34 N -0.43 -0.22 -0.48 2.37 2.86 -0.65 0.11 114.93 118.49 2c57 h MET 34 Ca -0.02 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2c57 h MET 34 Cb 0.37 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.00 2c57 h MET 34 CO 0.00 -0.15 -0.54 1.96 1.06 0.00 0.00 176.91 179.25 2c57 h GLN 35 N -0.23 -0.31 -0.86 1.72 7.50 -0.64 0.21 115.11 122.51 2c57 h GLN 35 Ca 0.18 0.02 0.22 0.00 0.50 0.00 0.00 58.65 59.57 2c57 h GLN 35 Cb 0.56 0.07 -0.13 0.00 0.05 0.00 0.00 27.48 28.03 2c57 h GLN 35 CO -0.66 -0.21 0.25 1.15 -1.50 0.00 0.00 178.83 177.86 2c57 h THR 36 N -0.32 0.37 -0.47 -0.54 2.02 0.13 1.61 112.91 115.71 2c57 h THR 36 Ca 0.08 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2c57 h THR 36 Cb 0.54 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2c57 h THR 36 CO -0.62 0.05 0.31 0.15 0.37 0.00 0.00 175.52 175.78 2c57 h PHE 37 N 0.25 0.60 0.39 3.16 3.57 0.17 0.14 116.94 125.21 2c57 h PHE 37 Ca 0.53 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 62.02 2c57 h PHE 37 Cb 1.03 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2c57 h PHE 37 CO -0.25 0.38 -0.19 0.28 -2.23 0.00 0.00 178.31 176.30 2c57 h VAL 38 N 0.64 0.46 -0.58 1.41 2.07 0.12 0.63 116.25 121.00 2c57 h VAL 38 Ca 0.17 -0.61 0.17 0.00 0.82 0.00 0.00 66.70 67.25 2c57 h VAL 38 Cb -0.07 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2c57 h VAL 38 CO -0.04 0.09 0.52 0.11 0.02 0.00 0.00 177.57 178.27 2c57 h LYS 39 N -0.94 0.00 0.00 1.57 6.56 0.22 -1.07 116.57 122.91 2c57 h LYS 39 Ca -0.05 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.35 2c57 h LYS 39 Cb 0.55 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.18 2c57 h LYS 39 CO 0.09 0.00 -1.31 0.94 -2.06 0.00 0.00 179.45 177.11 2c57 n GLN 40 N -3.94 0.53 0.00 3.15 0.00 0.04 -4.38 117.38 112.77 2c57 n GLN 40 Ca 0.11 0.43 0.00 0.00 -0.00 0.00 0.00 57.00 57.54 2c57 n GLN 40 Cb 0.74 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 29.36 2c57 n GLN 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2c57 n GLY 41 N 1.45 0.00 2.26 1.69 0.00 0.22 -4.73 105.19 106.08 2c57 n GLY 41 Ca -0.28 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2c57 n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2c57 n ASN 42 N -0.92 -3.80 -4.72 1.61 2.85 -0.50 -4.94 115.26 104.83 2c57 n ASN 42 Ca 0.00 0.23 -0.40 0.00 -0.11 0.00 0.00 54.58 54.31 2c57 n ASN 42 Cb 0.00 -3.34 -0.05 0.00 1.24 0.00 0.00 39.78 37.63 2c57 n ASN 42 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2c57 s LEU 43 N -4.89 4.34 -0.91 1.20 1.43 -1.19 -4.98 118.68 113.68 2c57 s LEU 43 Ca 0.00 1.23 -0.24 0.00 -1.03 0.00 0.00 54.13 54.09 2c57 s LEU 43 Cb 0.00 -3.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 2c57 s LEU 43 CO 0.00 -0.09 1.81 -0.62 0.23 0.00 0.00 176.35 177.68 2c57 s ASP 44 N 0.64 5.50 -0.21 2.29 -1.08 -1.26 -4.84 116.67 117.70 2c57 s ASP 44 Ca 0.38 -0.79 -0.04 0.00 -0.52 0.00 0.00 52.55 51.58 2c57 s ASP 44 Cb -0.18 -2.56 0.09 0.00 -1.46 0.00 0.00 42.92 38.81 2c57 s ASP 44 CO 0.19 -2.41 0.17 -0.69 0.52 0.00 0.00 175.17 172.96 2c57 s VAL 45 N 8.71 -0.22 -0.07 1.11 1.01 -1.26 -3.72 120.40 125.95 2c57 s VAL 45 Ca 0.63 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 2c57 s VAL 45 Cb -0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 2c57 s VAL 45 CO -0.01 -0.33 1.24 -1.61 0.00 0.00 0.00 175.10 174.39 2c57 s GLU 46 N 2.24 4.31 0.05 2.72 8.01 -0.86 -4.95 118.70 130.22 2c57 s GLU 46 Ca 0.06 1.71 0.04 0.00 0.01 0.00 0.00 54.97 56.78 2c57 s GLU 46 Cb -0.16 -3.61 -0.04 0.00 -4.31 0.00 0.00 34.13 26.01 2c57 s GLU 46 CO -0.17 -0.52 -0.01 -0.51 0.01 0.00 0.00 175.26 174.05 2c57 s LEU 47 N 2.55 3.42 -0.02 1.80 1.43 -1.26 0.17 118.68 126.77 2c57 s LEU 47 Ca 0.57 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 2c57 s LEU 47 Cb -0.25 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 2c57 s LEU 47 CO 0.21 0.22 -0.17 -0.70 0.23 0.00 0.00 176.35 176.14 2c57 s GLU 48 N -1.93 1.47 -0.11 1.70 2.12 -0.67 -4.95 118.70 116.33 2c57 s GLU 48 Ca 0.22 -0.60 -0.02 0.00 0.36 0.00 0.00 54.97 54.93 2c57 s GLU 48 Cb -0.12 -1.38 -0.03 0.00 0.26 0.00 0.00 34.13 32.86 2c57 s GLU 48 CO 0.14 0.34 -0.04 -0.06 -0.54 0.00 0.00 175.26 175.10 2c57 s PHE 49 N -0.29 3.03 -0.03 5.30 0.08 -1.26 -0.59 117.98 124.22 2c57 s PHE 49 Ca 0.04 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.02 2c57 s PHE 49 Cb -0.08 -1.84 0.03 0.00 -0.57 0.00 0.00 43.02 40.56 2c57 s PHE 49 CO -0.00 0.20 -0.01 0.12 -0.10 0.00 0.00 175.22 175.44 2c57 s PHE 50 N -0.30 0.39 0.03 0.36 5.36 0.23 -4.98 117.98 119.07 2c57 s PHE 50 Ca 0.05 -0.04 0.07 0.00 -0.96 0.00 0.00 56.93 56.06 2c57 s PHE 50 Cb -0.12 -0.46 -0.02 0.00 -0.34 0.00 0.00 43.02 42.07 2c57 s PHE 50 CO 0.02 -0.15 -0.21 -1.14 -1.46 0.00 0.00 175.22 172.28 2c57 s GLN 51 N 1.03 1.53 -0.03 10.12 -0.44 -1.26 0.23 119.66 130.85 2c57 s GLN 51 Ca -0.10 -0.90 -0.25 0.00 -2.50 0.00 0.00 55.36 51.61 2c57 s GLN 51 Cb -0.14 -1.60 0.06 0.00 -1.64 0.00 0.00 33.01 29.69 2c57 s GLN 51 CO -0.01 0.42 0.56 -0.08 0.50 0.00 0.00 175.29 176.67 2c57 s THR 52 N -0.71 0.02 -1.50 -0.34 -1.32 -0.10 -4.95 115.64 106.74 2c57 s THR 52 Ca 0.08 -0.16 0.18 0.00 -1.21 0.00 0.00 61.69 60.58 2c57 s THR 52 Cb -0.09 -0.89 0.63 0.00 -1.51 0.00 0.00 72.50 70.64 2c57 s THR 52 CO 0.01 -0.09 1.52 0.59 -2.21 0.00 0.00 174.62 174.44 2c57 n ASN 53 N 0.94 4.03 -4.32 8.08 3.02 -1.26 -2.17 115.26 123.57 2c57 n ASN 53 Ca -0.20 -2.25 -0.36 0.00 -0.03 0.00 0.00 54.58 51.75 2c57 n ASN 53 Cb 0.57 -0.51 -0.13 0.00 -0.61 0.00 0.00 39.78 39.10 2c57 n ASN 53 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2c57 s PHE 54 N -1.55 3.08 0.22 3.10 0.40 -1.26 -4.80 117.98 117.17 2c57 s PHE 54 Ca 0.45 -1.00 -0.11 0.00 -0.60 0.00 0.00 56.93 55.68 2c57 s PHE 54 Cb 0.27 -2.18 0.31 0.00 0.51 0.00 0.00 43.02 41.94 2c57 s PHE 54 CO 0.25 -0.57 1.64 1.49 0.70 0.00 0.00 175.22 178.74 2c57 h GLU 55 N 8.16 0.07 -0.50 0.44 4.81 -2.01 -0.82 114.58 124.73 2c57 h GLU 55 Ca -0.35 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.90 2c57 h GLU 55 Cb 1.14 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2c57 h GLU 55 CO 0.59 0.04 0.33 0.78 -0.73 0.00 0.00 179.01 180.03 2c57 h GLY 56 N 0.07 0.67 1.99 1.92 0.00 -1.99 -2.35 103.07 103.37 2c57 h GLY 56 Ca 0.34 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 47.27 2c57 h GLY 56 CO -0.61 0.22 -0.76 0.83 0.00 0.00 0.00 176.54 176.21 2c57 h GLU 57 N 0.61 0.01 -0.13 4.80 5.08 -1.58 0.22 114.58 123.59 2c57 h GLU 57 Ca 0.20 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2c57 h GLU 57 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2c57 h GLU 57 CO -0.05 0.77 0.08 0.82 -1.00 0.00 0.00 179.01 179.62 2c57 h ILE 58 N 0.01 1.07 0.05 3.13 2.04 -1.05 0.59 117.51 123.36 2c57 h ILE 58 Ca -0.01 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 2c57 h ILE 58 Cb 1.35 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2c57 h ILE 58 CO 0.10 0.07 -0.03 0.40 0.00 0.00 0.00 178.15 178.69 2c57 h ILE 59 N 0.13 0.94 -0.85 -0.67 2.04 -0.88 0.24 117.51 118.46 2c57 h ILE 59 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2c57 h ILE 59 Cb 0.04 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2c57 h ILE 59 CO -0.01 0.00 0.54 0.44 0.00 0.00 0.00 178.15 179.12 2c57 h ASP 60 N -0.08 0.90 -0.38 1.72 5.19 -0.57 -1.46 116.42 121.75 2c57 h ASP 60 Ca -0.01 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.31 2c57 h ASP 60 Cb 0.06 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 2c57 h ASP 60 CO 0.01 0.61 -0.12 0.50 -3.12 0.00 0.00 179.24 177.12 2c57 h LYS 61 N 1.05 0.75 -0.54 3.56 1.63 0.51 -0.67 116.57 122.86 2c57 h LYS 61 Ca 0.34 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 2c57 h LYS 61 Cb 0.02 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 2c57 h LYS 61 CO -0.12 0.91 0.30 0.82 -3.45 0.00 0.00 179.45 177.91 2c57 h ILE 62 N 0.55 1.18 -0.23 2.00 2.04 -0.25 -1.75 117.51 121.03 2c57 h ILE 62 Ca 0.09 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 2c57 h ILE 62 Cb 0.65 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2c57 h ILE 62 CO 0.04 0.19 0.06 1.56 0.00 0.00 0.00 178.15 180.00 2c57 h GLN 63 N 0.72 0.32 0.00 2.37 4.20 -1.11 -2.27 115.11 119.35 2c57 h GLN 63 Ca 0.19 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 2c57 h GLN 63 Cb 0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2c57 h GLN 63 CO -0.03 0.30 -0.36 0.93 -0.67 0.00 0.00 178.83 179.01 2c57 h GLU 64 N 0.32 0.00 -0.75 1.46 5.08 -0.29 -3.15 114.58 117.24 2c57 h GLU 64 Ca 0.08 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2c57 h GLU 64 Cb 0.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2c57 h GLU 64 CO -0.00 0.36 0.50 0.66 -1.00 0.00 0.00 179.01 179.52 2c57 h SER 65 N 0.00 0.86 0.00 1.42 4.64 -0.74 -3.13 113.55 116.60 2c57 h SER 65 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2c57 h SER 65 Cb 0.99 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2c57 h SER 65 CO 0.05 0.62 0.59 0.52 -0.87 0.00 0.00 176.83 177.74 2c57 n VAL 66 N -4.56 0.00 -3.45 0.95 0.31 -1.19 -4.26 118.33 106.12 2c57 n VAL 66 Ca 0.07 0.59 -0.37 0.00 -0.01 0.00 0.00 64.34 64.62 2c57 n VAL 66 Cb 0.02 -1.58 -0.06 0.00 -0.91 0.00 0.00 33.84 31.31 2c57 n VAL 66 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2c57 s GLY 67 N -2.17 2.36 0.00 2.92 0.00 -1.18 -5.04 107.32 104.21 2c57 s GLY 67 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.43 2c57 s GLY 67 CO 0.00 0.43 0.00 1.44 0.00 0.00 0.00 173.10 174.97 2c57 n SER 68 N 2.98 0.00 0.00 1.64 7.64 -1.26 -3.74 113.62 120.87 2c57 n SER 68 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2c57 n SER 68 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2c57 n SER 68 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2c57 n ASP 69 N 0.00 0.00 -4.65 6.43 3.85 -1.26 -4.42 116.55 116.50 2c57 n ASP 69 Ca 0.00 0.00 -0.37 0.00 -0.71 0.00 0.00 54.79 53.71 2c57 n ASP 69 Cb 0.00 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 39.68 2c57 n ASP 69 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 2c57 s TYR 70 N -0.56 3.31 -0.11 2.11 1.51 -1.25 -3.72 117.35 118.63 2c57 s TYR 70 Ca 0.00 0.30 0.21 0.00 -1.01 0.00 0.00 57.07 56.57 2c57 s TYR 70 Cb 0.00 -2.36 -0.21 0.00 -0.11 0.00 0.00 41.96 39.28 2c57 s TYR 70 CO 0.00 -0.01 0.66 0.39 -1.11 0.00 0.00 175.55 175.48 2c57 n GLU 71 N 4.53 0.64 -3.61 -0.62 1.02 0.27 -4.94 120.64 117.94 2c57 n GLU 71 Ca -0.13 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 56.85 2c57 n GLU 71 Cb 0.52 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 2c57 n GLU 71 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2c57 s GLY 72 N -4.57 -0.32 -0.09 0.62 0.00 -1.26 -4.12 107.32 97.58 2c57 s GLY 72 Ca -0.05 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.75 2c57 s GLY 72 CO 0.86 -0.21 -0.16 -0.42 0.00 0.00 0.00 173.10 173.16 2c57 s ILE 73 N -3.66 1.53 -0.08 0.90 1.01 -0.29 -0.84 121.20 119.76 2c57 s ILE 73 Ca 0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2c57 s ILE 73 Cb 0.01 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 2c57 s ILE 73 CO -0.11 0.44 -0.03 -0.63 0.00 0.00 0.00 174.94 174.61 2c57 s ILE 74 N 0.73 4.04 -0.21 2.92 1.01 -0.16 -0.14 121.20 129.38 2c57 s ILE 74 Ca -0.12 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 2c57 s ILE 74 Cb -0.16 -2.68 0.08 0.00 0.01 0.00 0.00 42.46 39.71 2c57 s ILE 74 CO 0.03 0.60 0.50 -0.51 0.00 0.00 0.00 174.94 175.55 2c57 s ILE 75 N -0.77 -0.25 -0.78 2.92 2.07 0.21 -0.53 121.20 124.07 2c57 s ILE 75 Ca 0.12 0.08 -0.01 0.00 -1.41 0.00 0.00 60.65 59.43 2c57 s ILE 75 Cb -0.11 -0.75 0.19 0.00 0.13 0.00 0.00 42.46 41.92 2c57 s ILE 75 CO 0.02 0.03 0.62 0.21 -1.91 0.00 0.00 174.94 173.92 2c57 s ASN 76 N 1.87 5.56 0.00 4.50 3.84 0.32 -2.10 114.94 128.93 2c57 s ASN 76 Ca -0.08 -3.46 0.00 0.00 0.21 0.00 0.00 52.86 49.53 2c57 s ASN 76 Cb -0.09 -1.85 0.00 0.00 -0.55 0.00 0.00 41.25 38.76 2c57 s ASN 76 CO -0.15 -0.23 0.80 -2.65 -2.79 0.00 0.00 177.10 172.08 2c57 n PRO 77 N 2.65 0.00 0.00 0.43 -0.02 -1.26 -0.94 135.00 135.86 2c57 n PRO 77 Ca 0.17 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2c57 n PRO 77 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2c57 n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c57 n GLY 78 N -1.30 1.34 0.65 -1.23 0.00 -1.26 -1.83 105.19 101.56 2c57 n GLY 78 Ca 0.00 -0.52 0.45 0.00 0.00 0.00 0.00 46.02 45.95 2c57 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c57 h ALA 79 N -0.56 3.58 0.00 4.61 0.00 -1.91 0.63 119.26 125.61 2c57 h ALA 79 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2c57 h ALA 79 Cb 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2c57 h ALA 79 CO 0.00 -2.22 -0.10 0.74 0.00 0.00 0.00 179.25 177.68 2c57 h PHE 80 N 0.00 0.00 -0.83 0.00 0.04 -1.76 -2.92 116.94 111.47 2c57 h PHE 80 Ca 0.79 0.00 0.18 0.00 2.80 0.00 0.00 57.97 61.74 2c57 h PHE 80 Cb 3.50 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 41.50 2c57 h PHE 80 CO 0.00 0.10 -0.12 0.77 -0.60 0.00 0.00 178.31 178.45 2c57 h SER 81 N 0.00 -0.63 1.30 2.17 0.02 0.25 0.28 113.55 116.94 2c57 h SER 81 Ca -0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2c57 h SER 81 Cb 0.72 0.47 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2c57 h SER 81 CO 0.01 -0.26 -0.13 1.41 -1.14 0.00 0.00 176.83 176.72 2c57 n HIS 82 N -5.49 0.77 0.00 3.45 8.25 -1.10 -0.72 115.22 120.39 2c57 n HIS 82 Ca 0.14 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 2c57 n HIS 82 Cb 0.48 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.75 2c57 n HIS 82 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2c57 n THR 83 N -2.16 0.00 -2.49 1.59 -2.24 -0.83 -4.63 114.28 103.52 2c57 n THR 83 Ca 0.05 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 2c57 n THR 83 Cb 0.42 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 2c57 n THR 83 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2c57 s SER 84 N -1.92 6.43 0.27 3.42 0.15 0.93 -4.80 113.70 118.18 2c57 s SER 84 Ca 0.00 -1.80 -0.02 0.00 0.70 0.00 0.00 55.95 54.83 2c57 s SER 84 Cb 0.00 -2.57 0.44 0.00 -1.71 0.00 0.00 66.02 62.17 2c57 s SER 84 CO 0.00 -1.58 1.88 0.40 1.20 0.00 0.00 173.24 175.14 2c57 h ILE 85 N 6.30 1.07 0.24 6.45 2.04 -1.93 -2.72 117.51 128.95 2c57 h ILE 85 Ca 0.29 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2c57 h ILE 85 Cb 0.95 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2c57 h ILE 85 CO 1.41 0.21 -0.44 0.00 0.00 0.00 0.00 178.15 179.33 2c57 h ALA 86 N 1.47 -0.85 -0.12 1.87 0.00 -1.98 0.37 119.26 120.01 2c57 h ALA 86 Ca 0.44 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.27 2c57 h ALA 86 Cb 0.21 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2c57 h ALA 86 CO -0.18 -1.04 0.10 0.82 0.00 0.00 0.00 179.25 178.96 2c57 h ILE 87 N -0.75 0.76 0.07 0.00 2.04 -1.90 -0.24 117.51 117.49 2c57 h ILE 87 Ca -0.01 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.65 2c57 h ILE 87 Cb 0.73 0.92 0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2c57 h ILE 87 CO -0.18 0.00 -0.83 0.00 0.00 0.00 0.00 178.15 177.14 2c57 h ALA 88 N 1.91 0.00 -0.86 1.87 0.00 -0.79 -0.25 119.26 121.15 2c57 h ALA 88 Ca 0.06 -0.66 0.19 0.00 0.00 0.00 0.00 54.91 54.50 2c57 h ALA 88 Cb 0.27 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2c57 h ALA 88 CO -0.00 0.45 0.57 -0.44 0.00 0.00 0.00 179.25 179.82 2c57 h ASP 89 N -0.08 0.39 -0.04 0.00 5.19 0.25 -1.62 116.42 120.50 2c57 h ASP 89 Ca -0.12 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.29 2c57 h ASP 89 Cb 1.57 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.04 2c57 h ASP 89 CO 0.16 0.17 -0.08 0.00 -3.12 0.00 0.00 179.24 176.37 2c57 h ALA 90 N 1.62 0.07 -0.40 3.45 0.00 -0.63 -2.88 119.26 120.48 2c57 h ALA 90 Ca 0.44 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 55.15 2c57 h ALA 90 Cb 1.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2c57 h ALA 90 CO -0.15 -0.09 0.30 0.82 0.00 0.00 0.00 179.25 180.13 2c57 h ILE 91 N -0.38 0.72 0.00 0.00 2.04 -0.69 -1.07 117.51 118.14 2c57 h ILE 91 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2c57 h ILE 91 Cb 0.64 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2c57 h ILE 91 CO 0.02 0.00 -0.08 0.24 0.00 0.00 0.00 178.15 178.33 2c57 h MET 92 N 0.00 0.00 -0.17 2.37 2.86 -1.09 -2.94 114.93 115.95 2c57 h MET 92 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2c57 h MET 92 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2c57 h MET 92 CO -0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25 2c57 n LEU 93 N -2.88 2.90 0.17 1.22 4.77 -0.44 -4.32 117.00 118.43 2c57 n LEU 93 Ca 0.04 -1.10 0.15 0.00 -0.03 0.00 0.00 56.01 55.07 2c57 n LEU 93 Cb 0.51 -0.10 0.74 0.00 -2.33 0.00 0.00 43.42 42.24 2c57 n LEU 93 CO 0.34 0.55 1.13 0.00 -1.33 0.00 0.00 177.39 178.08 2c57 h ALA 94 N 4.55 2.04 -6.39 -1.18 0.00 -1.29 -3.46 119.26 113.53 2c57 h ALA 94 Ca 0.00 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.43 2c57 h ALA 94 Cb 0.90 0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.76 2c57 h ALA 94 CO 0.00 -0.29 -0.94 0.41 0.00 0.00 0.00 179.25 178.42 2c57 n GLY 95 N -1.51 -0.85 0.00 0.00 0.00 -1.26 -4.75 105.19 96.82 2c57 n GLY 95 Ca 0.02 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2c57 n GLY 95 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2c57 n LYS 96 N -4.36 0.00 -1.67 1.61 2.85 -1.26 -5.12 118.16 110.20 2c57 n LYS 96 Ca -0.13 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.66 2c57 n LYS 96 Cb 0.60 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.94 2c57 n LYS 96 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2c57 n PRO 97 N -0.54 2.12 -4.77 -1.58 -0.02 -1.26 -4.83 135.00 124.12 2c57 n PRO 97 Ca 0.00 0.77 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 2c57 n PRO 97 Cb 0.00 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 30.77 2c57 n PRO 97 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c57 s VAL 98 N 1.96 2.50 -0.14 -1.45 1.01 -1.26 -1.14 120.40 121.87 2c57 s VAL 98 Ca 0.84 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2c57 s VAL 98 Cb -0.70 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 33.67 2c57 s VAL 98 CO 0.43 0.53 -0.22 -0.63 0.00 0.00 0.00 175.10 175.22 2c57 s ILE 99 N 0.61 2.03 0.06 2.22 1.01 0.80 -2.74 121.20 125.19 2c57 s ILE 99 Ca -0.10 -0.96 -0.27 0.00 0.00 0.00 0.00 60.65 59.32 2c57 s ILE 99 Cb -0.16 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 2c57 s ILE 99 CO 0.03 0.54 0.84 -0.70 0.00 0.00 0.00 174.94 175.66 2c57 s GLU 100 N 0.82 4.57 0.00 2.79 2.12 -0.90 -0.62 118.70 127.47 2c57 s GLU 100 Ca -0.07 1.21 0.08 0.00 0.36 0.00 0.00 54.97 56.54 2c57 s GLU 100 Cb -0.16 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 2c57 s GLU 100 CO -0.02 0.23 -0.24 0.08 -0.54 0.00 0.00 175.26 174.77 2c57 s VAL 101 N 0.06 2.27 -0.02 3.70 1.01 -0.89 -1.23 120.40 125.30 2c57 s VAL 101 Ca 0.42 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2c57 s VAL 101 Cb -0.21 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 2c57 s VAL 101 CO 0.25 0.50 -0.12 -1.00 0.00 0.00 0.00 175.10 174.73 2c57 s HIS 102 N -0.71 1.15 0.04 5.22 3.76 -0.07 -4.27 115.29 120.41 2c57 s HIS 102 Ca 0.11 -0.27 -0.29 0.00 -0.15 0.00 0.00 55.06 54.46 2c57 s HIS 102 Cb -0.10 -0.78 -0.17 0.00 1.11 0.00 0.00 32.58 32.63 2c57 s HIS 102 CO 0.01 -0.08 1.44 -0.07 -0.85 0.00 0.00 174.74 175.18 2c57 h LEU 103 N 6.17 -0.62-10.71 0.89 3.38 -1.88 -2.19 115.31 110.35 2c57 h LEU 103 Ca -0.33 -0.03 -0.46 0.00 0.09 0.00 0.00 57.88 57.15 2c57 h LEU 103 Cb 1.17 0.16 0.10 0.00 0.09 0.00 0.00 40.66 42.18 2c57 h LEU 103 CO 0.49 -0.34 0.21 0.42 0.09 0.00 0.00 178.44 179.30 2c57 s THR 104 N -5.44 2.14 -0.64 0.22 -4.23 -1.26 -1.51 115.64 104.92 2c57 s THR 104 Ca -0.16 -0.38 -0.13 0.00 -1.18 0.00 0.00 61.69 59.84 2c57 s THR 104 Cb 0.03 -2.76 0.16 0.00 1.34 0.00 0.00 72.50 71.28 2c57 s THR 104 CO 0.57 0.00 0.57 0.21 -0.54 0.00 0.00 174.62 175.43 2c57 s ASN 105 N -4.74 6.27 0.26 3.99 3.84 -1.26 -1.19 114.94 122.11 2c57 s ASN 105 Ca 0.67 -2.21 0.22 0.00 0.21 0.00 0.00 52.86 51.76 2c57 s ASN 105 Cb -0.06 -2.16 1.00 0.00 -0.55 0.00 0.00 41.25 39.48 2c57 s ASN 105 CO 0.47 -0.70 1.67 2.30 -2.79 0.00 0.00 177.10 178.05 2c57 n ILE 106 N 4.62 0.92 0.09 -5.21 -5.35 -1.26 0.35 119.36 113.52 2c57 n ILE 106 Ca -0.02 0.38 0.08 0.00 -0.27 0.00 0.00 62.75 62.93 2c57 n ILE 106 Cb 0.42 -1.32 0.55 0.00 -1.74 0.00 0.00 39.64 37.55 2c57 n ILE 106 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2c57 h GLN 107 N 0.00 0.25 -0.69 6.28 1.08 -1.84 -3.29 115.11 116.91 2c57 h GLN 107 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2c57 h GLN 107 Cb 0.25 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2c57 h GLN 107 CO 0.00 0.17 0.00 0.00 -0.95 0.00 0.00 178.83 178.05 2c57 n ALA 108 N -2.52 2.68 -2.88 3.87 0.00 0.16 -4.90 120.51 116.92 2c57 n ALA 108 Ca 0.02 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.10 2c57 n ALA 108 Cb 0.17 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2c57 n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2c57 n ARG 109 N 1.38 3.23 -1.49 0.00 1.74 -1.24 -5.03 116.66 115.25 2c57 n ARG 109 Ca 0.24 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 57.01 2c57 n ARG 109 Cb 0.71 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.22 2c57 n ARG 109 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2c57 s GLU 110 N 4.37 2.62 0.14 5.56 8.01 -1.26 -4.94 118.70 133.21 2c57 s GLU 110 Ca 0.00 1.14 -0.30 0.00 0.01 0.00 0.00 54.97 55.82 2c57 s GLU 110 Cb 0.00 -1.94 -0.07 0.00 -4.31 0.00 0.00 34.13 27.80 2c57 s GLU 110 CO 0.00 -1.36 1.51 1.49 0.01 0.00 0.00 175.26 176.91 2c57 h GLU 111 N -0.71 -0.08 0.00 1.61 4.57 -1.95 -1.19 114.58 116.83 2c57 h GLU 111 Ca -0.44 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 2c57 h GLU 111 Cb 1.23 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2c57 h GLU 111 CO 0.54 -0.05 0.19 0.27 -1.18 0.00 0.00 179.01 178.77 2c57 h PHE 112 N -0.08 0.00 -0.00 0.92 -5.15 -1.97 0.46 116.94 111.12 2c57 h PHE 112 Ca 0.13 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.90 2c57 h PHE 112 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.59 2c57 h PHE 112 CO -0.96 0.00 -0.54 0.54 -2.00 0.00 0.00 178.31 175.35 2c57 n ARG 113 N -2.24 0.25 0.04 6.09 1.74 -0.45 -4.71 116.66 117.37 2c57 n ARG 113 Ca -0.01 -0.16 -0.01 0.00 -0.77 0.00 0.00 57.85 56.89 2c57 n ARG 113 Cb 0.21 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.15 2c57 n ARG 113 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2c57 h LYS 114 N 0.40 -0.09 -6.85 5.56 1.57 -0.93 -3.42 116.57 112.82 2c57 h LYS 114 Ca 0.00 0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 58.22 2c57 h LYS 114 Cb 0.52 0.02 0.14 0.00 0.08 0.00 0.00 32.23 32.99 2c57 h LYS 114 CO 0.00 -0.06 0.32 -1.71 -0.57 0.00 0.00 179.45 177.43 2c57 n ASN 115 N -2.25 1.70 -4.03 0.86 5.15 -1.26 -4.61 115.26 110.82 2c57 n ASN 115 Ca -0.01 0.95 -0.31 0.00 -0.60 0.00 0.00 54.58 54.61 2c57 n ASN 115 Cb 0.04 -1.45 -0.16 0.00 -0.53 0.00 0.00 39.78 37.68 2c57 n ASN 115 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2c57 s SER 116 N -0.92 3.14 0.08 1.20 0.15 -1.26 -4.37 113.70 111.72 2c57 s SER 116 Ca 0.69 -0.72 -0.22 0.00 0.70 0.00 0.00 55.95 56.39 2c57 s SER 116 Cb -0.46 -1.28 -0.14 0.00 -1.71 0.00 0.00 66.02 62.43 2c57 s SER 116 CO 0.52 -0.09 1.64 1.88 1.20 0.00 0.00 173.24 178.39 2c57 h TYR 117 N 7.98 0.09 -0.31 3.44 0.05 -1.18 -2.84 116.97 124.20 2c57 h TYR 117 Ca -0.35 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.42 2c57 h TYR 117 Cb 1.12 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.81 2c57 h TYR 117 CO 0.49 0.17 0.13 1.79 -1.05 0.00 0.00 178.16 179.70 2c57 h THR 118 N -0.02 1.12 -0.32 -2.88 1.35 -1.79 -2.71 112.91 107.65 2c57 h THR 118 Ca 0.02 -0.36 -0.15 0.00 -0.55 0.00 0.00 66.41 65.37 2c57 h THR 118 Cb 0.11 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 2c57 h THR 118 CO -0.00 0.14 -0.41 1.23 -0.25 0.00 0.00 175.52 176.22 2c57 h GLY 119 N 0.56 0.88 1.22 5.82 0.00 -1.81 -2.16 103.07 107.58 2c57 h GLY 119 Ca 0.11 -0.91 0.05 0.00 0.00 0.00 0.00 47.33 46.58 2c57 h GLY 119 CO -0.01 0.82 0.40 0.00 0.00 0.00 0.00 176.54 177.75 2c57 h ALA 120 N 0.88 1.75 -0.11 3.60 0.00 -1.25 -2.73 119.26 121.41 2c57 h ALA 120 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2c57 h ALA 120 Cb 0.98 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2c57 h ALA 120 CO 0.09 0.16 -0.18 0.00 0.00 0.00 0.00 179.25 179.32 2c57 h ALA 121 N 1.66 0.16 -2.93 0.00 0.00 -1.29 -3.43 119.26 113.43 2c57 h ALA 121 Ca 0.25 -0.36 -0.56 0.00 0.00 0.00 0.00 54.91 54.25 2c57 h ALA 121 Cb 0.20 -0.03 0.15 0.00 0.00 0.00 0.00 17.79 18.10 2c57 h ALA 121 CO -0.07 0.09 0.46 0.00 0.00 0.00 0.00 179.25 179.72 2c57 h GLY 123 N 1.21 0.44 -3.44 0.00 0.00 -1.76 -3.46 103.07 96.06 2c57 h GLY 123 Ca -0.50 -0.15 0.08 0.00 0.00 0.00 0.00 47.33 46.76 2c57 h GLY 123 CO 0.56 0.12 0.44 -0.32 0.00 0.00 0.00 176.54 177.33 2c57 s GLY 124 N -3.81 -0.48 -0.04 4.60 0.00 -1.26 -5.10 107.32 101.24 2c57 s GLY 124 Ca -0.07 1.05 0.02 0.00 0.00 0.00 0.00 44.72 45.71 2c57 s GLY 124 CO 0.73 0.41 -0.08 0.14 0.00 0.00 0.00 173.10 174.30 2c57 s VAL 125 N -2.92 0.72 -0.14 1.40 1.01 -1.26 -2.12 120.40 117.10 2c57 s VAL 125 Ca 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2c57 s VAL 125 Cb -0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2c57 s VAL 125 CO -0.08 0.25 -0.04 -0.63 0.00 0.00 0.00 175.10 174.61 2c57 s ILE 126 N 0.53 3.92 -0.11 2.22 1.01 -0.36 -5.01 121.20 123.39 2c57 s ILE 126 Ca -0.08 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 2c57 s ILE 126 Cb -0.12 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.68 2c57 s ILE 126 CO 0.01 0.51 0.35 0.00 0.00 0.00 0.00 174.94 175.81 2c57 s MET 127 N 0.15 0.45 0.00 2.79 0.23 -1.26 -0.89 119.30 120.77 2c57 s MET 127 Ca -0.01 0.39 0.00 0.00 -1.03 0.00 0.00 55.69 55.03 2c57 s MET 127 Cb -0.14 0.21 0.00 0.00 -1.53 0.00 0.00 34.83 33.38 2c57 s MET 127 CO 0.03 -0.07 0.00 0.41 -2.03 0.00 0.00 175.02 173.36 2c57 n GLY 128 N 2.65 0.78 1.00 3.16 0.00 -0.33 -4.70 105.19 107.74 2c57 n GLY 128 Ca -0.14 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.61 2c57 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c57 n PHE 129 N -2.36 0.62 -2.18 1.61 3.01 -0.71 -4.75 117.46 112.70 2c57 n PHE 129 Ca 0.00 -0.40 0.00 0.00 1.01 0.00 0.00 57.45 58.06 2c57 n PHE 129 Cb 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 2c57 n PHE 129 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c57 n GLY 130 N 1.15 1.57 0.20 1.37 0.00 -0.57 -3.34 105.19 105.57 2c57 n GLY 130 Ca 0.18 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 2c57 n GLY 130 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2c57 h PRO 131 N 0.00 0.38 -0.84 1.61 0.11 -1.93 -2.61 132.00 128.71 2c57 h PRO 131 Ca 0.00 -0.20 0.34 0.00 0.11 0.00 0.00 66.00 66.25 2c57 h PRO 131 Cb 0.00 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 30.98 2c57 h PRO 131 CO 0.00 0.75 0.48 -0.11 -0.21 0.00 0.00 178.00 178.91 2c57 n LEU 132 N -4.00 0.25 -0.10 2.35 7.94 -1.21 0.22 117.00 122.45 2c57 n LEU 132 Ca -0.02 1.25 0.09 0.00 -1.11 0.00 0.00 56.01 56.23 2c57 n LEU 132 Cb 0.52 -0.61 0.45 0.00 0.53 0.00 0.00 43.42 44.31 2c57 n LEU 132 CO 0.44 -1.39 1.19 1.23 -1.11 0.00 0.00 177.39 177.74 2c57 h GLY 133 N 0.00 0.68 0.96 -3.96 0.00 -1.61 0.42 103.07 99.56 2c57 h GLY 133 Ca 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 2c57 h GLY 133 CO -0.55 0.15 -0.10 -0.97 0.00 0.00 0.00 176.54 175.07 2c57 h TYR 134 N 0.53 -0.26 -0.36 5.60 -1.99 -0.44 0.47 116.97 120.52 2c57 h TYR 134 Ca 0.27 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 61.03 2c57 h TYR 134 Cb 0.37 0.09 -0.04 0.00 2.00 0.00 0.00 36.73 39.15 2c57 h TYR 134 CO -0.00 -0.12 0.13 -0.91 -0.00 0.00 0.00 178.16 177.26 2c57 h ASN 135 N -0.33 0.16 -0.96 3.88 2.35 -1.36 0.53 115.58 119.85 2c57 h ASN 135 Ca -0.03 0.03 0.31 0.00 -0.55 0.00 0.00 56.30 56.07 2c57 h ASN 135 Cb 0.25 0.01 -0.16 0.00 0.05 0.00 0.00 38.32 38.48 2c57 h ASN 135 CO 0.05 0.13 0.39 0.24 -1.65 0.00 0.00 177.43 176.59 2c57 h MET 136 N 0.29 0.17 -0.17 0.81 2.86 -0.80 0.72 114.93 118.81 2c57 h MET 136 Ca 0.16 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 2c57 h MET 136 Cb 0.12 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2c57 h MET 136 CO -0.15 0.11 -0.08 0.00 1.06 0.00 0.00 176.91 177.85 2c57 h ALA 137 N 1.88 0.24 -0.50 6.32 0.00 0.21 -1.78 119.26 125.64 2c57 h ALA 137 Ca 0.69 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.43 2c57 h ALA 137 Cb 1.57 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.20 2c57 h ALA 137 CO -0.70 0.05 -0.22 -0.07 0.00 0.00 0.00 179.25 178.31 2c57 h LEU 138 N 0.04 -0.76 -0.62 0.00 3.38 -0.58 0.14 115.31 116.91 2c57 h LEU 138 Ca 0.04 0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.32 2c57 h LEU 138 Cb 0.55 0.42 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 2c57 h LEU 138 CO 0.02 -0.25 -0.02 -0.03 0.09 0.00 0.00 178.44 178.25 2c57 h MET 139 N -0.11 0.09 0.02 1.13 4.05 -0.67 -0.99 114.93 118.45 2c57 h MET 139 Ca 0.23 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 2c57 h MET 139 Cb 0.47 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 2c57 h MET 139 CO -0.57 0.06 -0.01 0.00 0.23 0.00 0.00 176.91 176.62 2c57 h ALA 140 N 1.58 -0.02 -0.42 0.39 0.00 -0.54 -3.04 119.26 117.21 2c57 h ALA 140 Ca 0.32 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2c57 h ALA 140 Cb 0.52 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 2c57 h ALA 140 CO -0.55 -0.26 -0.07 1.98 0.00 0.00 0.00 179.25 180.35 2c57 h MET 141 N -0.53 0.03 -0.67 0.00 -1.53 -0.03 0.23 114.93 112.44 2c57 h MET 141 Ca -0.00 -0.00 0.12 0.00 -3.44 0.00 0.00 59.70 56.37 2c57 h MET 141 Cb 0.51 -0.01 -0.12 0.00 -0.55 0.00 0.00 31.60 31.42 2c57 h MET 141 CO 0.00 0.02 -0.32 0.28 0.14 0.00 0.00 176.91 177.04 2c57 h VAL 142 N 0.03 0.16 -0.49 -5.77 2.07 -1.29 -0.02 116.25 110.95 2c57 h VAL 142 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 2c57 h VAL 142 Cb 0.31 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2c57 h VAL 142 CO -0.40 0.00 0.30 0.78 0.02 0.00 0.00 177.57 178.27 2c57 h ASN 143 N -0.11 0.58 -0.21 0.57 2.35 -0.87 -1.32 115.58 116.57 2c57 h ASN 143 Ca 0.27 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.90 2c57 h ASN 143 Cb 0.56 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 2c57 h ASN 143 CO -0.74 0.45 -0.14 0.40 -1.65 0.00 0.00 177.43 175.76 2c57 h ILE 144 N 0.65 1.31 -0.79 2.81 2.04 -0.51 -1.48 117.51 121.55 2c57 h ILE 144 Ca 0.18 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.82 2c57 h ILE 144 Cb -0.03 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 2c57 h ILE 144 CO -0.03 0.38 0.50 -0.07 0.00 0.00 0.00 178.15 178.93 2c57 h LEU 145 N 0.16 0.84 -0.95 1.44 3.38 -1.03 0.16 115.31 119.32 2c57 h LEU 145 Ca 0.04 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2c57 h LEU 145 Cb 0.65 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2c57 h LEU 145 CO 0.04 0.59 0.63 0.00 0.09 0.00 0.00 178.44 179.78 2c57 h ALA 146 N 1.32 1.24 0.05 1.53 0.00 -1.05 -1.68 119.26 120.66 2c57 h ALA 146 Ca 0.31 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2c57 h ALA 146 Cb -0.01 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.43 2c57 h ALA 146 CO -0.10 0.55 -0.38 1.49 0.00 0.00 0.00 179.25 180.80 2c57 h GLU 147 N 1.24 0.17 -0.47 0.00 4.81 -0.17 -2.55 114.58 117.61 2c57 h GLU 147 Ca 0.37 -0.25 0.09 0.00 -0.13 0.00 0.00 59.36 59.44 2c57 h GLU 147 Cb -0.07 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.30 2c57 h GLU 147 CO -0.10 1.06 -0.28 0.52 -0.73 0.00 0.00 179.01 179.49 2c57 h MET 148 N -0.59 -0.17 -0.40 1.92 2.86 -0.77 -2.16 114.93 115.61 2c57 h MET 148 Ca -0.06 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2c57 h MET 148 Cb 1.24 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 2c57 h MET 148 CO 0.07 -0.11 0.27 0.87 1.06 0.00 0.00 176.91 179.07 2c57 h LYS 149 N -0.17 0.43 -0.42 1.72 1.57 -1.28 -1.17 116.57 117.25 2c57 h LYS 149 Ca 0.21 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.82 2c57 h LYS 149 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2c57 h LYS 149 CO -0.57 0.29 -0.29 0.00 -0.57 0.00 0.00 179.45 178.30 2c57 h ALA 150 N 1.77 0.59 -0.10 3.86 0.00 -1.06 -3.29 119.26 121.02 2c57 h ALA 150 Ca 0.16 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2c57 h ALA 150 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2c57 h ALA 150 CO -0.04 0.63 -0.23 0.35 0.00 0.00 0.00 179.25 179.96 2c57 h PHE 151 N 0.75 0.43 0.00 0.00 -0.00 -0.66 -0.08 116.94 117.39 2c57 h PHE 151 Ca 0.08 -0.16 0.00 0.00 -0.00 0.00 0.00 57.97 57.89 2c57 h PHE 151 Cb 0.87 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 36.74 2c57 h PHE 151 CO 0.06 0.85 0.00 1.04 -0.00 0.00 0.00 178.31 180.26 2c57 n GLN 152 N -4.49 0.16 -0.08 1.11 6.02 -0.54 -1.02 117.38 118.53 2c57 n GLN 152 Ca -0.07 0.57 -0.08 0.00 -0.01 0.00 0.00 57.00 57.41 2c57 n GLN 152 Cb 0.44 -1.93 -0.16 0.00 1.02 0.00 0.00 30.24 29.61 2c57 n GLN 152 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2c57 n GLU 153 N -2.24 0.68 0.07 -1.09 1.02 -1.18 -2.53 120.64 115.36 2c57 n GLU 153 Ca -0.00 -0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2c57 n GLU 153 Cb 0.10 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 29.90 2c57 n GLU 153 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2c57 h ALA 154 N 1.11 -0.08 0.15 0.62 0.00 0.12 -3.26 119.26 117.90 2c57 h ALA 154 Ca -0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2c57 h ALA 154 Cb 2.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.93 2c57 h ALA 154 CO 0.03 -0.52 -0.07 1.96 0.00 0.00 0.00 179.25 180.65 2c57 h GLN 155 N -0.14 -0.19 0.00 0.00 4.20 -1.26 -3.31 115.11 114.42 2c57 h GLN 155 Ca -0.01 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2c57 h GLN 155 Cb 0.11 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2c57 h GLN 155 CO 0.01 -0.13 0.00 0.36 -0.67 0.00 0.00 178.83 178.41 2c57 n LYS 156 N -4.88 0.00 -0.07 1.46 2.85 -1.05 0.24 118.16 116.70 2c57 n LYS 156 Ca -0.02 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.16 2c57 n LYS 156 Cb 0.08 -1.23 -0.15 0.00 -0.65 0.00 0.00 35.03 33.07 2c57 n LYS 156 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2c57 n ASN 157 N -0.65 0.21 0.00 -5.58 4.13 -1.23 -5.01 115.26 107.13 2c57 n ASN 157 Ca 0.00 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.36 2c57 n ASN 157 Cb 0.00 0.83 0.00 0.00 -1.54 0.00 0.00 39.78 39.07 2c57 n ASN 157 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34