#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 4.13 -0.07 2.12 -0.14 -1.25 -2.38 119.74 122.16 2c57 s LYS 2 Ca 0.00 -0.11 0.03 0.00 -1.36 0.00 0.00 55.97 54.53 2c57 s LYS 2 Cb 0.00 -3.52 -0.02 0.00 -1.68 0.00 0.00 37.83 32.61 2c57 s LYS 2 CO 0.00 0.08 -0.15 0.42 -0.76 0.00 0.00 175.35 174.94 2c57 s ILE 3 N 1.00 2.98 -0.21 2.17 -1.09 0.45 -0.60 121.20 125.89 2c57 s ILE 3 Ca 0.11 -0.74 -0.10 0.00 -2.23 0.00 0.00 60.65 57.70 2c57 s ILE 3 Cb -0.13 -2.18 -0.05 0.00 -1.58 0.00 0.00 42.46 38.52 2c57 s ILE 3 CO 0.05 0.57 0.14 -0.22 -1.23 0.00 0.00 174.94 174.25 2c57 s LEU 4 N -0.44 4.16 -0.29 2.97 2.96 0.15 -1.72 118.68 126.47 2c57 s LEU 4 Ca 0.05 0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 54.05 2c57 s LEU 4 Cb -0.12 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2c57 s LEU 4 CO 0.02 0.14 0.13 -0.69 -1.32 0.00 0.00 176.35 174.63 2c57 s VAL 5 N 0.61 4.55 -0.33 1.68 1.01 0.60 -0.83 120.40 127.69 2c57 s VAL 5 Ca 0.08 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 2c57 s VAL 5 Cb -0.12 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.03 2c57 s VAL 5 CO 0.00 0.14 0.09 -0.63 0.00 0.00 0.00 175.10 174.71 2c57 s ILE 6 N 1.62 3.78 -0.17 2.22 1.01 0.83 -1.05 121.20 129.45 2c57 s ILE 6 Ca 0.05 -1.06 -0.13 0.00 0.00 0.00 0.00 60.65 59.51 2c57 s ILE 6 Cb -0.17 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 2c57 s ILE 6 CO 0.06 -0.12 0.28 -1.10 0.00 0.00 0.00 174.94 174.05 2c57 s GLN 7 N 1.42 4.25 0.03 2.79 -1.52 0.12 -0.41 119.66 126.33 2c57 s GLN 7 Ca -0.01 0.06 -0.00 0.00 -1.95 0.00 0.00 55.36 53.46 2c57 s GLN 7 Cb -0.19 -3.43 0.01 0.00 -0.22 0.00 0.00 33.01 29.18 2c57 s GLN 7 CO 0.03 0.24 0.04 0.41 -0.25 0.00 0.00 175.29 175.76 2c57 n GLY 8 N 3.41 0.50 3.68 3.09 0.00 -0.16 -0.59 105.19 115.12 2c57 n GLY 8 Ca -0.12 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.08 1.16 0.00 1.61 -0.04 -0.89 -2.54 135.00 133.22 2c57 n PRO 9 Ca 0.01 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2c57 n PRO 9 Cb 0.02 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 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 -1.17 0.00 -0.15 3.54 3.02 -1.26 -4.60 115.26 114.64 2c57 n ASN 10 Ca 0.14 0.00 0.28 0.00 -0.03 0.00 0.00 54.58 54.97 2c57 n ASN 10 Cb 0.47 -0.41 0.70 0.00 -0.61 0.00 0.00 39.78 39.93 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 -0.87 3.41 3.38 -1.84 0.68 115.31 120.07 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 -0.21 -0.43 -1.07 -1.87 -3.20 115.58 108.80 2c57 h ASN 12 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.78 2c57 h ASN 12 Cb 1.89 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.14 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 -2.42 2.33 -2.41 4.14 2.81 0.24 -4.65 117.12 117.16 2c57 n MET 13 Ca 0.02 -1.11 -0.42 0.00 -1.81 0.00 0.00 57.70 54.38 2c57 n MET 13 Cb 0.25 -1.73 -0.03 0.00 -0.71 0.00 0.00 33.22 31.00 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 -0.98 4.37 0.00 4.03 1.43 -1.21 -2.07 118.68 124.24 2c57 s LEU 14 Ca 0.19 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 2c57 s LEU 14 Cb 0.14 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2c57 s LEU 14 CO 0.06 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.76 2c57 n GLY 15 N 3.25 1.45 0.14 -3.19 0.00 -1.16 -4.01 105.19 101.66 2c57 n GLY 15 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.13 0.00 0.00 1.61 1.44 -1.05 -4.95 115.22 112.15 2c57 n HIS 16 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2c57 n HIS 16 Cb 0.00 -0.99 0.00 0.00 0.12 0.00 0.00 29.99 29.12 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 -3.76 0.00 -0.10 -1.40 1.85 -0.88 -5.16 116.66 107.21 2c57 n ARG 17 Ca -0.50 0.58 -0.08 0.00 -1.00 0.00 0.00 57.85 56.85 2c57 n ARG 17 Cb 0.93 -1.39 0.08 0.00 -1.05 0.00 0.00 32.46 31.03 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 -0.93 -3.11 2.42 2.89 0.00 -1.26 -5.12 105.19 100.09 2c57 n GLY 23 Ca 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.46 1.79 -5.00 1.61 0.00 -1.26 -4.65 117.12 107.14 2c57 n MET 24 Ca 0.04 -1.13 -0.28 0.00 -0.00 0.00 0.00 57.70 56.32 2c57 n MET 24 Cb 0.16 -2.19 -0.15 0.00 0.00 0.00 0.00 33.22 31.03 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 2.67 1.80 0.56 1.12 1.01 -1.26 -4.88 120.40 121.42 2c57 s VAL 25 Ca 0.41 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2c57 s VAL 25 Cb 0.14 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2c57 s VAL 25 CO -0.02 0.43 0.86 0.42 0.00 0.00 0.00 175.10 176.79 2c57 s THR 26 N -0.61 3.89 0.15 3.92 -4.23 -1.26 -2.99 115.64 114.51 2c57 s THR 26 Ca 0.09 -0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.42 2c57 s THR 26 Cb -0.09 -3.52 0.01 0.00 1.34 0.00 0.00 72.50 70.24 2c57 s THR 26 CO -0.00 -0.51 1.77 0.25 -0.54 0.00 0.00 174.62 175.59 2c57 h LEU 27 N -0.05 0.51 -0.66 4.79 5.85 -1.80 -2.32 115.31 121.63 2c57 h LEU 27 Ca -0.46 -0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.33 2c57 h LEU 27 Cb 1.25 -0.13 -0.12 0.00 0.37 0.00 0.00 40.66 42.03 2c57 h LEU 27 CO 0.60 0.43 -0.04 0.44 -0.34 0.00 0.00 178.44 179.53 2c57 h ASP 28 N 0.54 -0.38 -0.89 1.25 3.32 -1.95 0.87 116.42 119.19 2c57 h ASP 28 Ca 0.15 0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.43 2c57 h ASP 28 Cb 0.02 0.32 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 2c57 h ASP 28 CO -0.03 -0.16 0.58 1.56 -1.72 0.00 0.00 179.24 179.47 2c57 h GLN 29 N 0.08 0.99 -0.27 3.56 4.20 -1.94 0.90 115.11 122.63 2c57 h GLN 29 Ca 0.34 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 2c57 h GLN 29 Cb 0.56 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2c57 h GLN 29 CO -0.60 0.65 0.09 0.82 -0.67 0.00 0.00 178.83 179.12 2c57 h ILE 30 N 1.02 1.19 -0.27 2.54 2.04 -0.31 -0.44 117.51 123.28 2c57 h ILE 30 Ca 0.38 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2c57 h ILE 30 Cb 0.18 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2c57 h ILE 30 CO -0.14 0.20 0.12 0.45 0.00 0.00 0.00 178.15 178.79 2c57 h HIS 31 N 0.27 0.39 0.00 1.37 3.86 -0.65 -1.31 115.15 119.09 2c57 h HIS 31 Ca 0.09 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2c57 h HIS 31 Cb 0.23 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 2c57 h HIS 31 CO 0.00 0.38 -0.04 1.05 0.86 0.00 0.00 177.93 180.17 2c57 h GLU 32 N 0.30 0.00 -0.02 2.45 4.11 -0.70 -1.36 114.58 119.37 2c57 h GLU 32 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.52 2c57 h GLU 32 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2c57 h GLU 32 CO -0.01 0.04 0.00 0.82 0.07 0.00 0.00 179.01 179.94 2c57 h ILE 33 N 0.00 1.18 -0.30 -1.06 2.04 0.08 -0.32 117.51 119.13 2c57 h ILE 33 Ca -0.00 -0.53 0.07 0.00 1.00 0.00 0.00 64.86 65.40 2c57 h ILE 33 Cb 0.24 1.51 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 2c57 h ILE 33 CO 0.01 0.14 -0.20 0.24 0.00 0.00 0.00 178.15 178.33 2c57 h MET 34 N -0.19 -0.17 -0.44 2.37 2.86 -0.81 0.24 114.93 118.79 2c57 h MET 34 Ca 0.00 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 2c57 h MET 34 Cb 0.22 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.83 2c57 h MET 34 CO -0.00 -0.11 -0.47 1.96 1.06 0.00 0.00 176.91 179.35 2c57 h GLN 35 N -0.18 -0.32 -0.98 1.72 7.50 -1.09 -0.09 115.11 121.68 2c57 h GLN 35 Ca 0.16 0.02 0.13 0.00 0.50 0.00 0.00 58.65 59.46 2c57 h GLN 35 Cb 0.42 0.07 -0.09 0.00 0.05 0.00 0.00 27.48 27.93 2c57 h GLN 35 CO -0.40 -0.21 0.60 1.15 -1.50 0.00 0.00 178.83 178.47 2c57 h THR 36 N -0.33 0.86 -0.70 -0.54 2.02 0.12 1.80 112.91 116.14 2c57 h THR 36 Ca 0.13 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2c57 h THR 36 Cb 0.59 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 2c57 h THR 36 CO -0.60 0.17 0.38 0.15 0.37 0.00 0.00 175.52 175.98 2c57 h PHE 37 N 0.91 0.97 0.20 3.16 3.57 0.36 -0.30 116.94 125.81 2c57 h PHE 37 Ca 0.50 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.97 2c57 h PHE 37 Cb 0.58 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2c57 h PHE 37 CO -0.01 0.69 -0.10 0.28 -2.23 0.00 0.00 178.31 176.94 2c57 h VAL 38 N 0.97 0.62 -0.79 1.41 2.07 0.92 0.82 116.25 122.27 2c57 h VAL 38 Ca 0.25 -1.04 0.23 0.00 0.82 0.00 0.00 66.70 66.96 2c57 h VAL 38 Cb 0.05 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2c57 h VAL 38 CO -0.04 0.17 0.58 0.11 0.02 0.00 0.00 177.57 178.40 2c57 h LYS 39 N -0.94 0.00 0.00 1.57 6.56 0.26 -1.31 116.57 122.71 2c57 h LYS 39 Ca -0.03 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.47 2c57 h LYS 39 Cb 0.48 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2c57 h LYS 39 CO 0.04 0.00 -0.84 0.94 -2.06 0.00 0.00 179.45 177.53 2c57 n GLN 40 N -4.27 0.50 0.00 3.15 0.00 -0.12 -4.23 117.38 112.40 2c57 n GLN 40 Ca 0.16 0.52 0.00 0.00 -0.00 0.00 0.00 57.00 57.68 2c57 n GLN 40 Cb 0.87 -1.69 0.00 0.00 0.00 0.00 0.00 30.24 29.41 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 1.54 -0.06 2.23 1.69 0.00 0.29 -4.72 105.19 106.15 2c57 n GLY 41 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.90 -3.52 -4.72 1.61 2.85 -0.57 -4.95 115.26 105.07 2c57 n ASN 42 Ca 0.00 0.24 -0.40 0.00 -0.11 0.00 0.00 54.58 54.31 2c57 n ASN 42 Cb 0.04 -3.12 -0.04 0.00 1.24 0.00 0.00 39.78 37.89 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 -4.78 4.32 -0.94 1.20 1.43 -1.19 -4.98 118.68 113.75 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 -3.13 -0.06 0.00 0.03 0.00 0.00 46.19 43.03 2c57 s LEU 43 CO 0.00 -0.13 1.99 -0.62 0.23 0.00 0.00 176.35 177.82 2c57 s ASP 44 N 0.82 4.99 -0.19 2.29 -1.08 -1.26 -4.84 116.67 117.39 2c57 s ASP 44 Ca 0.39 -0.76 -0.04 0.00 -0.52 0.00 0.00 52.55 51.62 2c57 s ASP 44 Cb -0.18 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 38.79 2c57 s ASP 44 CO 0.19 -2.93 0.14 -0.69 0.52 0.00 0.00 175.17 172.40 2c57 s VAL 45 N 10.75 -0.18 -0.10 1.11 1.01 -1.26 -3.70 120.40 128.05 2c57 s VAL 45 Ca 0.72 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 2c57 s VAL 45 Cb -0.06 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2c57 s VAL 45 CO 0.02 -0.28 1.16 -1.61 0.00 0.00 0.00 175.10 174.39 2c57 s GLU 46 N 2.21 4.34 0.03 2.72 8.01 -1.00 -4.96 118.70 130.05 2c57 s GLU 46 Ca 0.04 1.59 0.03 0.00 0.01 0.00 0.00 54.97 56.64 2c57 s GLU 46 Cb -0.16 -3.59 -0.04 0.00 -4.31 0.00 0.00 34.13 26.03 2c57 s GLU 46 CO -0.12 -0.48 -0.00 -0.51 0.01 0.00 0.00 175.26 174.16 2c57 s LEU 47 N 2.45 3.49 -0.01 1.80 1.43 -1.26 -0.41 118.68 126.16 2c57 s LEU 47 Ca 0.53 -0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 2c57 s LEU 47 Cb -0.22 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 2c57 s LEU 47 CO 0.19 0.24 -0.16 -0.70 0.23 0.00 0.00 176.35 176.15 2c57 s GLU 48 N -1.83 1.32 -0.11 1.70 2.12 -0.70 -4.95 118.70 116.24 2c57 s GLU 48 Ca 0.22 -0.58 -0.02 0.00 0.36 0.00 0.00 54.97 54.95 2c57 s GLU 48 Cb -0.12 -1.27 -0.03 0.00 0.26 0.00 0.00 34.13 32.97 2c57 s GLU 48 CO 0.13 0.35 -0.03 -0.06 -0.54 0.00 0.00 175.26 175.11 2c57 s PHE 49 N -0.37 3.06 -0.05 5.30 0.08 -1.26 -0.29 117.98 124.45 2c57 s PHE 49 Ca 0.06 -0.02 -0.02 0.00 0.12 0.00 0.00 56.93 57.07 2c57 s PHE 49 Cb -0.06 -1.84 0.04 0.00 -0.57 0.00 0.00 43.02 40.58 2c57 s PHE 49 CO -0.01 0.25 0.09 0.12 -0.10 0.00 0.00 175.22 175.57 2c57 s PHE 50 N -0.38 -0.06 -0.02 0.36 5.36 -0.21 -4.99 117.98 118.04 2c57 s PHE 50 Ca 0.06 0.33 0.07 0.00 -0.96 0.00 0.00 56.93 56.44 2c57 s PHE 50 Cb -0.12 -0.22 -0.02 0.00 -0.34 0.00 0.00 43.02 42.32 2c57 s PHE 50 CO 0.02 -0.15 -0.24 -1.14 -1.46 0.00 0.00 175.22 172.24 2c57 s GLN 51 N 1.42 2.04 0.07 10.12 -0.44 -1.26 0.11 119.66 131.72 2c57 s GLN 51 Ca -0.06 -0.87 -0.12 0.00 -2.50 0.00 0.00 55.36 51.81 2c57 s GLN 51 Cb -0.12 -1.94 0.01 0.00 -1.64 0.00 0.00 33.01 29.32 2c57 s GLN 51 CO -0.04 0.51 0.26 -0.08 0.50 0.00 0.00 175.29 176.44 2c57 s THR 52 N -0.53 0.10 -1.22 -0.34 -1.32 0.24 -4.95 115.64 107.62 2c57 s THR 52 Ca 0.08 -0.85 0.19 0.00 -1.21 0.00 0.00 61.69 59.90 2c57 s THR 52 Cb -0.10 -1.08 0.72 0.00 -1.51 0.00 0.00 72.50 70.53 2c57 s THR 52 CO -0.00 -0.47 1.63 0.59 -2.21 0.00 0.00 174.62 174.15 2c57 n ASN 53 N 0.31 4.70 -4.27 8.08 3.02 -1.26 -2.10 115.26 123.73 2c57 n ASN 53 Ca -0.17 -2.40 -0.35 0.00 -0.03 0.00 0.00 54.58 51.62 2c57 n ASN 53 Cb 0.61 -0.57 -0.14 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.76 3.04 0.23 3.10 0.40 -1.26 -4.81 117.98 116.91 2c57 s PHE 54 Ca 0.51 -1.19 -0.11 0.00 -0.60 0.00 0.00 56.93 55.55 2c57 s PHE 54 Cb 0.32 -2.12 0.33 0.00 0.51 0.00 0.00 43.02 42.06 2c57 s PHE 54 CO 0.26 -0.63 1.63 1.49 0.70 0.00 0.00 175.22 178.67 2c57 h GLU 55 N 8.10 0.05 -0.85 0.44 4.81 -2.00 -0.12 114.58 125.00 2c57 h GLU 55 Ca -0.36 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.94 2c57 h GLU 55 Cb 1.13 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 2c57 h GLU 55 CO 0.59 0.03 0.55 0.78 -0.73 0.00 0.00 179.01 180.24 2c57 h GLY 56 N 0.05 1.20 2.00 1.92 0.00 -1.99 -2.24 103.07 104.01 2c57 h GLY 56 Ca 0.35 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 2c57 h GLY 56 CO -0.66 0.25 -0.40 0.83 0.00 0.00 0.00 176.54 176.55 2c57 h GLU 57 N 0.90 0.00 -0.10 4.80 5.08 -1.44 0.22 114.58 124.04 2c57 h GLU 57 Ca 0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 2c57 h GLU 57 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2c57 h GLU 57 CO -0.14 0.40 0.02 0.82 -1.00 0.00 0.00 179.01 179.11 2c57 h ILE 58 N 0.00 1.20 -0.15 3.13 2.04 -1.08 -1.30 117.51 121.36 2c57 h ILE 58 Ca -0.00 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.24 2c57 h ILE 58 Cb 1.02 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 2c57 h ILE 58 CO 0.05 0.18 0.04 0.40 0.00 0.00 0.00 178.15 178.82 2c57 h ILE 59 N -0.05 0.94 -0.91 -0.67 2.04 -0.76 0.10 117.51 118.21 2c57 h ILE 59 Ca 0.03 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2c57 h ILE 59 Cb 0.27 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2c57 h ILE 59 CO 0.00 0.02 0.53 0.44 0.00 0.00 0.00 178.15 179.14 2c57 h ASP 60 N 0.10 1.11 -0.26 1.72 5.19 -0.58 -1.37 116.42 122.33 2c57 h ASP 60 Ca 0.07 -0.08 -0.15 0.00 -0.62 0.00 0.00 57.03 56.25 2c57 h ASP 60 Cb 0.05 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.28 2c57 h ASP 60 CO -0.09 0.87 -0.41 0.50 -3.12 0.00 0.00 179.24 176.99 2c57 h LYS 61 N 1.26 0.73 -0.25 3.56 1.63 0.01 0.44 116.57 123.96 2c57 h LYS 61 Ca 0.32 -0.45 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2c57 h LYS 61 Cb -0.02 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 2c57 h LYS 61 CO -0.06 1.07 0.15 0.82 -3.45 0.00 0.00 179.45 177.98 2c57 h ILE 62 N 0.47 1.10 -0.54 2.00 2.04 -0.45 -1.66 117.51 120.47 2c57 h ILE 62 Ca 0.02 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.69 2c57 h ILE 62 Cb 1.01 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2c57 h ILE 62 CO 0.09 0.10 0.36 1.56 0.00 0.00 0.00 178.15 180.26 2c57 h GLN 63 N 0.30 0.45 0.00 2.37 4.20 -1.10 -1.98 115.11 119.37 2c57 h GLN 63 Ca 0.09 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 2c57 h GLN 63 Cb 0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2c57 h GLN 63 CO -0.02 0.30 -0.27 0.93 -0.67 0.00 0.00 178.83 179.11 2c57 h GLU 64 N 0.47 0.00 -0.83 1.46 5.08 -0.03 -3.16 114.58 117.56 2c57 h GLU 64 Ca 0.23 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2c57 h GLU 64 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2c57 h GLU 64 CO -0.06 0.27 0.55 0.66 -1.00 0.00 0.00 179.01 179.42 2c57 h SER 65 N 0.00 0.94 0.00 1.42 4.64 -0.54 -3.15 113.55 116.87 2c57 h SER 65 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2c57 h SER 65 Cb 0.91 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2c57 h SER 65 CO 0.03 0.68 0.58 0.52 -0.87 0.00 0.00 176.83 177.77 2c57 n VAL 66 N -4.51 0.02 -3.61 0.95 0.31 -1.20 -4.26 118.33 106.03 2c57 n VAL 66 Ca 0.09 0.58 -0.37 0.00 -0.01 0.00 0.00 64.34 64.63 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 -2.18 2.28 0.00 2.92 0.00 -1.19 -5.04 107.32 104.11 2c57 s GLY 67 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.29 2c57 s GLY 67 CO 0.00 0.14 0.00 1.44 0.00 0.00 0.00 173.10 174.68 2c57 n SER 68 N 2.64 0.00 0.03 1.64 7.64 -1.26 -3.75 113.62 120.56 2c57 n SER 68 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2c57 n SER 68 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -4.62 6.43 3.85 -1.26 -4.40 116.55 116.55 2c57 n ASP 69 Ca 0.00 0.05 -0.38 0.00 -0.71 0.00 0.00 54.79 53.75 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 -1.05 3.28 -0.31 2.11 1.51 -1.25 -3.76 117.35 117.88 2c57 s TYR 70 Ca 0.00 0.37 0.22 0.00 -1.01 0.00 0.00 57.07 56.65 2c57 s TYR 70 Cb 0.00 -2.48 -0.09 0.00 -0.11 0.00 0.00 41.96 39.27 2c57 s TYR 70 CO 0.00 -0.13 0.86 0.39 -1.11 0.00 0.00 175.55 175.56 2c57 n GLU 71 N 4.96 0.51 -3.44 -0.62 1.02 0.23 -4.94 120.64 118.36 2c57 n GLU 71 Ca -0.10 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 56.89 2c57 n GLU 71 Cb 0.51 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 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 -4.15 -0.59 -0.07 0.62 0.00 -1.26 -4.14 107.32 97.72 2c57 s GLY 72 Ca -0.01 0.51 0.03 0.00 0.00 0.00 0.00 44.72 45.25 2c57 s GLY 72 CO 0.83 0.18 -0.15 -0.42 0.00 0.00 0.00 173.10 173.54 2c57 s ILE 73 N -3.56 1.38 -0.09 0.90 1.01 -0.36 -0.68 121.20 119.81 2c57 s ILE 73 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 2c57 s ILE 73 Cb -0.01 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2c57 s ILE 73 CO -0.11 0.41 -0.05 -0.63 0.00 0.00 0.00 174.94 174.55 2c57 s ILE 74 N 0.56 3.81 -0.17 2.92 1.01 -0.01 -0.40 121.20 128.92 2c57 s ILE 74 Ca -0.15 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 2c57 s ILE 74 Cb -0.16 -2.59 0.06 0.00 0.01 0.00 0.00 42.46 39.78 2c57 s ILE 74 CO 0.05 0.58 0.42 -0.51 0.00 0.00 0.00 174.94 175.48 2c57 s ILE 75 N -0.56 -0.02 -0.69 2.92 2.07 0.04 -0.12 121.20 124.85 2c57 s ILE 75 Ca 0.09 0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.40 2c57 s ILE 75 Cb -0.12 -0.63 0.17 0.00 0.13 0.00 0.00 42.46 42.02 2c57 s ILE 75 CO 0.02 0.04 0.51 0.21 -1.91 0.00 0.00 174.94 173.81 2c57 s ASN 76 N 1.38 5.30 0.07 4.50 3.84 0.45 -1.51 114.94 128.98 2c57 s ASN 76 Ca -0.09 -3.16 0.07 0.00 0.21 0.00 0.00 52.86 49.89 2c57 s ASN 76 Cb -0.08 -1.83 0.35 0.00 -0.55 0.00 0.00 41.25 39.14 2c57 s ASN 76 CO -0.13 -0.29 1.22 -2.65 -2.79 0.00 0.00 177.10 172.46 2c57 n PRO 77 N 3.05 0.04 0.00 0.43 -0.02 -1.26 -0.99 135.00 136.25 2c57 n PRO 77 Ca 0.12 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2c57 n PRO 77 Cb 0.37 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.20 1.58 0.67 -1.23 0.00 -1.26 -2.40 105.19 101.35 2c57 n GLY 78 Ca 0.00 -0.47 0.51 0.00 0.00 0.00 0.00 46.02 46.07 2c57 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c57 n ALA 79 N 5.65 1.81 0.21 4.61 0.00 -1.26 0.14 120.51 131.67 2c57 n ALA 79 Ca 0.00 0.68 0.09 0.00 0.00 0.00 0.00 53.44 54.21 2c57 n ALA 79 Cb 0.00 -1.12 0.40 0.00 0.00 0.00 0.00 19.45 18.73 2c57 n ALA 79 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2c57 h PHE 80 N 0.00 0.00 -0.98 0.00 0.04 -1.87 -2.88 116.94 111.25 2c57 h PHE 80 Ca 0.93 0.00 0.29 0.00 2.80 0.00 0.00 57.97 61.99 2c57 h PHE 80 Cb 3.62 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 41.59 2c57 h PHE 80 CO -0.00 0.26 0.12 0.77 -0.60 0.00 0.00 178.31 178.86 2c57 h SER 81 N 0.00 -0.33 0.97 2.17 0.02 0.11 0.17 113.55 116.67 2c57 h SER 81 Ca -0.00 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2c57 h SER 81 Cb 0.83 0.44 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2c57 h SER 81 CO 0.03 -0.36 -0.63 0.45 -1.14 0.00 0.00 176.83 175.19 2c57 h HIS 82 N 0.02 0.00 0.00 3.45 3.86 -1.70 -0.42 115.15 120.37 2c57 h HIS 82 Ca 0.64 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.85 2c57 h HIS 82 Cb 1.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.85 2c57 h HIS 82 CO -0.41 0.00 -0.58 0.25 0.86 0.00 0.00 177.93 178.05 2c57 n THR 83 N -2.27 0.00 -2.68 2.45 -2.24 -0.87 -4.58 114.28 104.09 2c57 n THR 83 Ca 0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 2c57 n THR 83 Cb 0.46 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.71 6.66 0.25 3.42 0.15 0.55 -4.82 113.70 118.19 2c57 s SER 84 Ca 0.00 -1.96 -0.05 0.00 0.70 0.00 0.00 55.95 54.64 2c57 s SER 84 Cb 0.00 -2.52 0.33 0.00 -1.71 0.00 0.00 66.02 62.12 2c57 s SER 84 CO 0.00 -1.26 1.88 0.40 1.20 0.00 0.00 173.24 175.46 2c57 h ILE 85 N 6.10 1.12 0.27 6.45 2.04 -1.94 -2.68 117.51 128.87 2c57 h ILE 85 Ca 0.26 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2c57 h ILE 85 Cb 0.97 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2c57 h ILE 85 CO 1.35 0.21 -0.39 0.00 0.00 0.00 0.00 178.15 179.32 2c57 h ALA 86 N 1.41 -0.77 -0.37 1.87 0.00 -1.98 0.42 119.26 119.84 2c57 h ALA 86 Ca 0.39 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2c57 h ALA 86 Cb 0.08 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2c57 h ALA 86 CO -0.14 -0.98 0.26 0.82 0.00 0.00 0.00 179.25 179.20 2c57 h ILE 87 N -0.72 0.93 -0.18 0.00 2.04 -1.89 -0.22 117.51 117.48 2c57 h ILE 87 Ca -0.01 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 2c57 h ILE 87 Cb 0.68 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2c57 h ILE 87 CO -0.13 0.04 -0.21 0.00 0.00 0.00 0.00 178.15 177.85 2c57 h ALA 88 N 1.80 0.26 -0.77 1.87 0.00 -0.89 -0.44 119.26 121.10 2c57 h ALA 88 Ca 0.17 -0.36 0.17 0.00 0.00 0.00 0.00 54.91 54.88 2c57 h ALA 88 Cb 0.36 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2c57 h ALA 88 CO -0.03 0.21 0.52 -0.44 0.00 0.00 0.00 179.25 179.51 2c57 h ASP 89 N 0.10 0.33 0.13 0.00 5.19 0.69 -0.62 116.42 122.24 2c57 h ASP 89 Ca 0.02 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 2c57 h ASP 89 Cb 0.76 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.23 2c57 h ASP 89 CO 0.05 0.16 -0.06 0.00 -3.12 0.00 0.00 179.24 176.27 2c57 h ALA 90 N 1.64 -0.17 -1.14 3.45 0.00 -0.41 -2.73 119.26 119.90 2c57 h ALA 90 Ca 0.38 -0.24 0.32 0.00 0.00 0.00 0.00 54.91 55.38 2c57 h ALA 90 Cb 1.00 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2c57 h ALA 90 CO -0.11 -0.23 0.77 0.82 0.00 0.00 0.00 179.25 180.49 2c57 h ILE 91 N -0.89 0.42 0.00 0.00 2.04 -0.79 0.70 117.51 118.99 2c57 h ILE 91 Ca -0.02 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2c57 h ILE 91 Cb 0.53 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2c57 h ILE 91 CO 0.03 0.04 0.00 0.24 0.00 0.00 0.00 178.15 178.46 2c57 h MET 92 N 0.21 0.00 -0.26 2.37 2.86 -0.79 -2.58 114.93 116.73 2c57 h MET 92 Ca 0.62 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.26 2c57 h MET 92 Cb 1.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.61 2c57 h MET 92 CO -0.21 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.04 2c57 n LEU 93 N -2.92 3.30 0.29 1.22 4.77 0.21 -4.33 117.00 119.55 2c57 n LEU 93 Ca 0.02 -1.32 0.15 0.00 -0.03 0.00 0.00 56.01 54.83 2c57 n LEU 93 Cb 0.35 -0.16 0.91 0.00 -2.33 0.00 0.00 43.42 42.19 2c57 n LEU 93 CO 0.28 0.66 1.13 0.00 -1.33 0.00 0.00 177.39 178.12 2c57 h ALA 94 N 4.55 1.55 -6.44 -1.18 0.00 -1.18 -3.46 119.26 113.11 2c57 h ALA 94 Ca 0.00 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 2c57 h ALA 94 Cb 0.99 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2c57 h ALA 94 CO 0.00 -0.02 -0.92 0.41 0.00 0.00 0.00 179.25 178.71 2c57 n GLY 95 N -1.33 -0.59 0.00 0.00 0.00 -1.26 -4.76 105.19 97.24 2c57 n GLY 95 Ca -0.03 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.38 0.00 -1.66 1.61 2.85 -1.26 -5.12 118.16 110.20 2c57 n LYS 96 Ca -0.20 0.00 -0.51 0.00 -1.05 0.00 0.00 58.31 56.55 2c57 n LYS 96 Cb 0.64 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.96 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 -0.31 1.63 -4.72 -1.58 -0.02 -1.26 -4.83 135.00 123.92 2c57 n PRO 97 Ca 0.00 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 2c57 n PRO 97 Cb 0.00 -2.32 -0.16 0.00 -0.02 0.00 0.00 33.50 31.00 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 2.05 2.50 -0.17 -1.45 1.01 -1.26 -1.22 120.40 121.86 2c57 s VAL 98 Ca 0.88 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 2c57 s VAL 98 Cb -0.85 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2c57 s VAL 98 CO 0.50 0.53 -0.14 -0.63 0.00 0.00 0.00 175.10 175.35 2c57 s ILE 99 N 0.65 2.66 0.03 2.22 1.01 0.47 -2.74 121.20 125.50 2c57 s ILE 99 Ca -0.09 -0.76 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 2c57 s ILE 99 Cb -0.16 -2.14 -0.06 0.00 0.01 0.00 0.00 42.46 40.12 2c57 s ILE 99 CO 0.02 0.51 0.66 -0.70 0.00 0.00 0.00 174.94 175.42 2c57 s GLU 100 N 1.02 4.37 0.03 2.79 2.12 -0.88 -0.78 118.70 127.38 2c57 s GLU 100 Ca -0.01 0.86 0.08 0.00 0.36 0.00 0.00 54.97 56.27 2c57 s GLU 100 Cb -0.15 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 2c57 s GLU 100 CO -0.03 0.40 -0.25 0.08 -0.54 0.00 0.00 175.26 174.92 2c57 s VAL 101 N -0.35 2.27 -0.02 3.70 1.01 -0.57 -1.17 120.40 125.26 2c57 s VAL 101 Ca 0.33 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2c57 s VAL 101 Cb -0.19 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2c57 s VAL 101 CO 0.20 0.41 -0.06 -1.00 0.00 0.00 0.00 175.10 174.65 2c57 s HIS 102 N -0.79 0.68 0.04 5.22 3.76 -0.05 -4.31 115.29 119.85 2c57 s HIS 102 Ca 0.12 -0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 54.62 2c57 s HIS 102 Cb -0.10 -0.51 -0.17 0.00 1.11 0.00 0.00 32.58 32.91 2c57 s HIS 102 CO 0.02 -0.08 1.49 -0.07 -0.85 0.00 0.00 174.74 175.25 2c57 h LEU 103 N 6.45 -0.23-10.74 0.89 3.38 -1.88 -1.61 115.31 111.57 2c57 h LEU 103 Ca -0.33 -0.13 -0.46 0.00 0.09 0.00 0.00 57.88 57.04 2c57 h LEU 103 Cb 1.17 0.06 0.10 0.00 0.09 0.00 0.00 40.66 42.08 2c57 h LEU 103 CO 0.49 0.00 0.19 0.42 0.09 0.00 0.00 178.44 179.63 2c57 s THR 104 N -5.38 2.09 -0.67 0.22 -4.23 -1.26 -1.54 115.64 104.87 2c57 s THR 104 Ca -0.15 -0.45 -0.13 0.00 -1.18 0.00 0.00 61.69 59.78 2c57 s THR 104 Cb 0.04 -2.64 0.17 0.00 1.34 0.00 0.00 72.50 71.41 2c57 s THR 104 CO 0.62 0.00 0.60 0.21 -0.54 0.00 0.00 174.62 175.52 2c57 s ASN 105 N -4.78 6.34 0.00 3.99 3.84 -1.26 -1.00 114.94 122.07 2c57 s ASN 105 Ca 0.68 -2.30 0.10 0.00 0.21 0.00 0.00 52.86 51.55 2c57 s ASN 105 Cb -0.05 -2.16 0.44 0.00 -0.55 0.00 0.00 41.25 38.93 2c57 s ASN 105 CO 0.47 -0.67 1.28 2.30 -2.79 0.00 0.00 177.10 177.68 2c57 n ILE 106 N 4.49 1.17 0.08 -5.21 -5.35 -1.26 0.44 119.36 113.71 2c57 n ILE 106 Ca 0.01 0.29 0.01 0.00 -0.27 0.00 0.00 62.75 62.80 2c57 n ILE 106 Cb 0.43 -1.13 0.35 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 0.32 -0.63 6.28 1.08 -1.84 -3.29 115.11 117.03 2c57 h GLN 107 Ca 0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2c57 h GLN 107 Cb 0.14 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2c57 h GLN 107 CO 0.00 0.45 0.00 0.00 -0.95 0.00 0.00 178.83 178.33 2c57 n ALA 108 N -2.49 2.97 -3.00 3.87 0.00 0.17 -4.88 120.51 117.16 2c57 n ALA 108 Ca -0.00 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.15 2c57 n ALA 108 Cb 0.28 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.91 3.06 -1.87 0.00 1.74 -1.25 -5.03 116.66 114.23 2c57 n ARG 109 Ca 0.21 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.97 2c57 n ARG 109 Cb 0.74 0.00 0.03 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 4.73 3.05 0.07 5.56 8.01 -1.26 -4.94 118.70 133.91 2c57 s GLU 110 Ca 0.00 1.25 -0.14 0.00 0.01 0.00 0.00 54.97 56.10 2c57 s GLU 110 Cb 0.00 -1.99 -0.03 0.00 -4.31 0.00 0.00 34.13 27.80 2c57 s GLU 110 CO 0.00 -1.04 1.06 -1.91 0.01 0.00 0.00 175.26 173.39 2c57 n GLU 111 N -2.33 -0.19 0.25 1.61 4.07 -1.26 -0.92 120.64 121.86 2c57 n GLU 111 Ca 0.09 1.05 0.09 0.00 -0.06 0.00 0.00 57.16 58.33 2c57 n GLU 111 Cb 0.53 -1.55 0.49 0.00 -0.06 0.00 0.00 31.44 30.84 2c57 n GLU 111 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2c57 h PHE 112 N 0.00 0.00 -0.00 4.31 -5.15 -1.97 0.31 116.94 114.44 2c57 h PHE 112 Ca 0.07 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.84 2c57 h PHE 112 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.35 2c57 h PHE 112 CO -0.82 0.00 -0.42 0.54 -2.00 0.00 0.00 178.31 175.61 2c57 n ARG 113 N -2.40 0.42 0.00 6.09 1.74 -0.10 -4.69 116.66 117.71 2c57 n ARG 113 Ca -0.01 -0.26 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 2c57 n ARG 113 Cb 0.43 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 2c57 n ARG 113 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2c57 n LYS 114 N -1.07 0.00 -1.62 5.56 5.02 0.11 -4.58 118.16 121.59 2c57 n LYS 114 Ca 0.08 0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 56.39 2c57 n LYS 114 Cb 0.35 -1.41 0.02 0.00 -0.02 0.00 0.00 35.03 33.96 2c57 n LYS 114 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2c57 n ASN 115 N -1.77 1.24 -4.07 4.39 5.15 -1.26 -4.64 115.26 114.30 2c57 n ASN 115 Ca 0.00 0.99 -0.32 0.00 -0.60 0.00 0.00 54.58 54.65 2c57 n ASN 115 Cb 0.00 -1.37 -0.16 0.00 -0.53 0.00 0.00 39.78 37.72 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 -0.82 3.41 0.07 1.20 0.15 -1.26 -4.39 113.70 112.05 2c57 s SER 116 Ca 0.65 -0.84 -0.25 0.00 0.70 0.00 0.00 55.95 56.22 2c57 s SER 116 Cb -0.52 -1.40 -0.16 0.00 -1.71 0.00 0.00 66.02 62.22 2c57 s SER 116 CO 0.55 -0.08 1.62 1.88 1.20 0.00 0.00 173.24 178.42 2c57 h TYR 117 N 7.93 -0.13 -0.87 3.44 0.05 -1.32 -2.85 116.97 123.21 2c57 h TYR 117 Ca -0.35 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.48 2c57 h TYR 117 Cb 1.11 0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.83 2c57 h TYR 117 CO 0.51 -0.00 0.55 1.79 -1.05 0.00 0.00 178.16 179.96 2c57 h THR 118 N -0.24 1.05 -0.55 -2.88 1.35 -1.79 -2.81 112.91 107.05 2c57 h THR 118 Ca -0.01 -0.34 0.01 0.00 -0.55 0.00 0.00 66.41 65.51 2c57 h THR 118 Cb 0.19 -0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 66.55 2c57 h THR 118 CO 0.02 0.18 0.36 1.23 -0.25 0.00 0.00 175.52 177.07 2c57 h GLY 119 N 1.00 0.77 0.61 5.82 0.00 -1.82 -0.96 103.07 108.49 2c57 h GLY 119 Ca 0.38 -0.28 0.13 0.00 0.00 0.00 0.00 47.33 47.56 2c57 h GLY 119 CO -0.17 0.28 0.56 0.00 0.00 0.00 0.00 176.54 177.20 2c57 h ALA 120 N 1.20 1.84 -0.09 3.60 0.00 -1.26 -2.27 119.26 122.28 2c57 h ALA 120 Ca 0.20 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2c57 h ALA 120 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2c57 h ALA 120 CO -0.05 -0.05 -0.36 0.00 0.00 0.00 0.00 179.25 178.79 2c57 h ALA 121 N 1.60 0.17 -3.09 0.00 0.00 -1.25 -3.43 119.26 113.26 2c57 h ALA 121 Ca 0.42 -0.45 -0.56 0.00 0.00 0.00 0.00 54.91 54.33 2c57 h ALA 121 Cb 0.66 -0.01 0.15 0.00 0.00 0.00 0.00 17.79 18.59 2c57 h ALA 121 CO -0.18 0.25 0.56 0.00 0.00 0.00 0.00 179.25 179.87 2c57 h GLY 123 N 0.86 0.54 -3.59 0.00 0.00 -1.75 -3.46 103.07 95.67 2c57 h GLY 123 Ca -0.51 -0.17 0.08 0.00 0.00 0.00 0.00 47.33 46.72 2c57 h GLY 123 CO 0.54 0.13 0.45 -0.32 0.00 0.00 0.00 176.54 177.35 2c57 s GLY 124 N -3.77 -0.45 -0.04 4.60 0.00 -1.26 -5.10 107.32 101.30 2c57 s GLY 124 Ca -0.08 1.19 0.01 0.00 0.00 0.00 0.00 44.72 45.84 2c57 s GLY 124 CO 0.74 0.51 -0.02 0.14 0.00 0.00 0.00 173.10 174.47 2c57 s VAL 125 N -2.63 0.35 -0.15 1.40 1.01 -1.26 -2.06 120.40 117.06 2c57 s VAL 125 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2c57 s VAL 125 Cb -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2c57 s VAL 125 CO -0.06 0.19 -0.02 -0.63 0.00 0.00 0.00 175.10 174.58 2c57 s ILE 126 N 0.99 4.10 -0.14 2.22 1.01 -0.32 -5.01 121.20 124.06 2c57 s ILE 126 Ca -0.10 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 2c57 s ILE 126 Cb -0.14 -2.80 0.04 0.00 0.01 0.00 0.00 42.46 39.57 2c57 s ILE 126 CO -0.01 0.50 0.37 0.00 0.00 0.00 0.00 174.94 175.79 2c57 s MET 127 N 0.26 0.42 0.00 2.79 0.23 -1.26 -0.87 119.30 120.87 2c57 s MET 127 Ca -0.01 0.52 0.00 0.00 -1.03 0.00 0.00 55.69 55.17 2c57 s MET 127 Cb -0.14 0.19 0.00 0.00 -1.53 0.00 0.00 34.83 33.35 2c57 s MET 127 CO 0.02 -0.06 0.00 0.41 -2.03 0.00 0.00 175.02 173.36 2c57 n GLY 128 N 2.98 0.95 0.92 3.16 0.00 -0.17 -4.68 105.19 108.35 2c57 n GLY 128 Ca -0.14 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.19 0.60 -2.00 1.61 3.01 -0.82 -4.74 117.46 112.92 2c57 n PHE 129 Ca 0.00 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.03 2c57 n PHE 129 Cb 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 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 1.01 1.16 0.29 1.37 0.00 -0.59 -3.52 105.19 104.91 2c57 n GLY 130 Ca 0.16 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 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 0.89 -0.69 1.61 0.11 -1.94 -2.21 132.00 129.77 2c57 h PRO 131 Ca 0.00 -0.27 0.27 0.00 0.11 0.00 0.00 66.00 66.11 2c57 h PRO 131 Cb 0.00 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 30.92 2c57 h PRO 131 CO 0.00 0.91 0.40 -0.11 -0.21 0.00 0.00 178.00 178.99 2c57 n LEU 132 N -4.18 0.19 0.26 2.35 7.94 -1.23 0.85 117.00 123.18 2c57 n LEU 132 Ca 0.02 0.97 0.14 0.00 -1.11 0.00 0.00 56.01 56.03 2c57 n LEU 132 Cb 0.34 -0.47 0.82 0.00 0.53 0.00 0.00 43.42 44.64 2c57 n LEU 132 CO 0.43 -1.07 1.12 1.23 -1.11 0.00 0.00 177.39 177.98 2c57 h GLY 133 N 0.00 0.00 0.66 -3.96 0.00 -1.53 0.84 103.07 99.07 2c57 h GLY 133 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.83 2c57 h GLY 133 CO -0.41 0.00 -0.07 -0.97 0.00 0.00 0.00 176.54 175.08 2c57 h TYR 134 N 0.00 0.24 -0.60 5.60 -1.99 0.25 0.87 116.97 121.34 2c57 h TYR 134 Ca 0.02 -0.07 0.04 0.00 2.00 0.00 0.00 58.73 60.72 2c57 h TYR 134 Cb 0.12 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 38.75 2c57 h TYR 134 CO 0.00 0.62 0.35 -0.91 -0.00 0.00 0.00 178.16 178.22 2c57 h ASN 135 N -0.20 0.55 -1.02 3.88 2.35 -1.47 0.11 115.58 119.79 2c57 h ASN 135 Ca 0.02 0.01 0.25 0.00 -0.55 0.00 0.00 56.30 56.03 2c57 h ASN 135 Cb 0.57 -0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.74 2c57 h ASN 135 CO 0.02 0.38 0.65 0.24 -1.65 0.00 0.00 177.43 177.07 2c57 h MET 136 N 0.68 0.43 -0.07 0.81 2.86 -0.76 0.20 114.93 119.09 2c57 h MET 136 Ca 0.25 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.75 2c57 h MET 136 Cb 0.07 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.64 2c57 h MET 136 CO -0.13 0.29 -0.40 0.00 1.06 0.00 0.00 176.91 177.73 2c57 h ALA 137 N 1.63 0.14 -0.45 6.32 0.00 0.17 -2.50 119.26 124.57 2c57 h ALA 137 Ca 0.58 -0.48 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2c57 h ALA 137 Cb 1.39 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 2c57 h ALA 137 CO -0.30 0.26 -0.09 -0.07 0.00 0.00 0.00 179.25 179.05 2c57 h LEU 138 N -0.08 -0.37 -0.72 0.00 3.38 -0.56 0.16 115.31 117.12 2c57 h LEU 138 Ca -0.03 0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.23 2c57 h LEU 138 Cb 1.06 0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.96 2c57 h LEU 138 CO 0.08 -0.13 0.11 -0.03 0.09 0.00 0.00 178.44 178.56 2c57 h MET 139 N 0.02 0.20 -0.06 1.13 4.05 -0.45 -1.57 114.93 118.25 2c57 h MET 139 Ca 0.22 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.50 2c57 h MET 139 Cb 0.33 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.10 2c57 h MET 139 CO -0.45 0.13 -0.47 0.00 0.23 0.00 0.00 176.91 176.35 2c57 h ALA 140 N 1.63 0.13 -0.02 0.39 0.00 -0.85 -2.98 119.26 117.56 2c57 h ALA 140 Ca 0.40 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2c57 h ALA 140 Cb 0.70 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2c57 h ALA 140 CO -0.55 0.30 -0.15 1.98 0.00 0.00 0.00 179.25 180.83 2c57 h MET 141 N -0.06 -0.24 -0.87 0.00 -1.53 0.13 0.43 114.93 112.79 2c57 h MET 141 Ca -0.04 0.02 0.21 0.00 -3.44 0.00 0.00 59.70 56.44 2c57 h MET 141 Cb 1.14 0.05 -0.16 0.00 -0.55 0.00 0.00 31.60 32.09 2c57 h MET 141 CO 0.10 -0.16 -0.02 0.28 0.14 0.00 0.00 176.91 177.24 2c57 h VAL 142 N -0.24 0.19 -0.56 -5.77 2.07 -1.39 0.18 116.25 110.72 2c57 h VAL 142 Ca 0.06 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.45 2c57 h VAL 142 Cb 0.32 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2c57 h VAL 142 CO -0.17 0.01 -0.08 0.78 0.02 0.00 0.00 177.57 178.14 2c57 h ASN 143 N 0.06 1.03 -0.05 0.57 2.35 -0.81 -1.81 115.58 116.92 2c57 h ASN 143 Ca 0.48 -0.34 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 2c57 h ASN 143 Cb 0.89 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.99 2c57 h ASN 143 CO -0.80 1.13 -0.63 0.40 -1.65 0.00 0.00 177.43 175.88 2c57 h ILE 144 N 0.92 1.37 -0.87 2.81 2.04 0.06 -2.26 117.51 121.58 2c57 h ILE 144 Ca 0.15 -1.99 0.02 0.00 1.00 0.00 0.00 64.86 64.05 2c57 h ILE 144 Cb 0.64 2.36 -0.05 0.00 -0.74 0.00 0.00 36.82 39.04 2c57 h ILE 144 CO 0.04 0.59 0.57 -0.07 0.00 0.00 0.00 178.15 179.29 2c57 h LEU 145 N 0.10 0.96 -0.88 1.44 3.38 -1.07 0.28 115.31 119.51 2c57 h LEU 145 Ca -0.06 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2c57 h LEU 145 Cb 1.30 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 2c57 h LEU 145 CO 0.13 0.68 0.57 0.00 0.09 0.00 0.00 178.44 179.90 2c57 h ALA 146 N 1.34 1.11 0.02 1.53 0.00 -1.25 -1.79 119.26 120.23 2c57 h ALA 146 Ca 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2c57 h ALA 146 Cb -0.05 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.39 2c57 h ALA 146 CO -0.10 0.53 -0.26 1.49 0.00 0.00 0.00 179.25 180.91 2c57 h GLU 147 N 1.19 0.14 -0.54 0.00 4.81 -0.66 -2.53 114.58 116.99 2c57 h GLU 147 Ca 0.32 -0.18 0.10 0.00 -0.13 0.00 0.00 59.36 59.47 2c57 h GLU 147 Cb -0.12 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.21 2c57 h GLU 147 CO -0.07 0.98 -0.30 0.52 -0.73 0.00 0.00 179.01 179.41 2c57 h MET 148 N -0.63 -0.16 -0.50 1.92 2.86 -0.53 -2.02 114.93 115.87 2c57 h MET 148 Ca -0.04 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2c57 h MET 148 Cb 1.09 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 2c57 h MET 148 CO 0.05 -0.11 0.33 0.87 1.06 0.00 0.00 176.91 179.12 2c57 h LYS 149 N -0.16 0.46 -0.38 1.72 1.57 -1.32 -1.22 116.57 117.24 2c57 h LYS 149 Ca 0.23 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.87 2c57 h LYS 149 Cb 0.53 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2c57 h LYS 149 CO -0.63 0.30 -0.19 0.00 -0.57 0.00 0.00 179.45 178.36 2c57 h ALA 150 N 1.72 0.54 -0.11 3.86 0.00 -0.96 -3.28 119.26 121.04 2c57 h ALA 150 Ca 0.21 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2c57 h ALA 150 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2c57 h ALA 150 CO -0.06 0.49 -0.27 0.35 0.00 0.00 0.00 179.25 179.77 2c57 h PHE 151 N 0.61 0.48 0.00 0.00 -0.00 -0.58 -0.28 116.94 117.18 2c57 h PHE 151 Ca 0.08 -0.18 0.00 0.00 -0.00 0.00 0.00 57.97 57.87 2c57 h PHE 151 Cb 0.75 -0.09 0.00 0.00 -0.00 0.00 0.00 35.95 36.61 2c57 h PHE 151 CO 0.06 0.88 0.00 1.04 -0.00 0.00 0.00 178.31 180.29 2c57 n GLN 152 N -4.45 0.15 -0.07 1.11 6.02 -0.63 -0.76 117.38 118.74 2c57 n GLN 152 Ca -0.07 0.52 -0.06 0.00 -0.01 0.00 0.00 57.00 57.37 2c57 n GLN 152 Cb 0.46 -1.87 -0.15 0.00 1.02 0.00 0.00 30.24 29.69 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 -2.16 0.68 0.07 -1.09 1.02 -1.16 -2.69 120.64 115.30 2c57 n GLU 153 Ca 0.00 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 2c57 n GLU 153 Cb 0.12 -1.56 -0.08 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 1.17 -0.10 0.14 0.62 0.00 0.54 -3.26 119.26 118.38 2c57 h ALA 154 Ca -0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2c57 h ALA 154 Cb 2.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2c57 h ALA 154 CO 0.03 -0.51 -0.07 1.96 0.00 0.00 0.00 179.25 180.66 2c57 h GLN 155 N -0.19 -0.18 0.00 0.00 4.20 -1.13 -3.29 115.11 114.52 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 0.16 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2c57 h GLN 155 CO 0.02 -0.12 0.00 0.36 -0.67 0.00 0.00 178.83 178.42 2c57 n LYS 156 N -4.37 0.00 -0.08 1.46 2.85 -1.10 0.29 118.16 117.22 2c57 n LYS 156 Ca -0.02 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.13 2c57 n LYS 156 Cb 0.07 -1.28 -0.15 0.00 -0.65 0.00 0.00 35.03 33.02 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 -0.63 0.38 0.00 -5.58 4.13 -1.23 -5.01 115.26 107.32 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 0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.85 2c57 n ASN 157 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34