#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 4.16 -0.06 2.12 -0.14 -1.24 -2.18 119.74 122.40 2c57 s LYS 2 Ca 0.00 -0.01 0.04 0.00 -1.36 0.00 0.00 55.97 54.64 2c57 s LYS 2 Cb 0.00 -3.51 -0.02 0.00 -1.68 0.00 0.00 37.83 32.62 2c57 s LYS 2 CO 0.00 0.07 -0.17 0.42 -0.76 0.00 0.00 175.35 174.91 2c57 s ILE 3 N 0.99 2.80 -0.19 2.17 -1.09 0.26 -1.12 121.20 125.02 2c57 s ILE 3 Ca 0.14 -0.81 -0.10 0.00 -2.23 0.00 0.00 60.65 57.66 2c57 s ILE 3 Cb -0.14 -2.09 -0.05 0.00 -1.58 0.00 0.00 42.46 38.61 2c57 s ILE 3 CO 0.05 0.58 0.12 -0.22 -1.23 0.00 0.00 174.94 174.24 2c57 s LEU 4 N -0.45 4.18 -0.26 2.97 2.96 -0.25 -1.32 118.68 126.50 2c57 s LEU 4 Ca 0.05 0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.13 2c57 s LEU 4 Cb -0.12 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.50 2c57 s LEU 4 CO 0.02 0.19 0.03 -0.69 -1.32 0.00 0.00 176.35 174.57 2c57 s VAL 5 N 0.29 3.70 -0.29 1.68 1.01 0.30 0.02 120.40 127.11 2c57 s VAL 5 Ca 0.08 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2c57 s VAL 5 Cb -0.11 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.47 2c57 s VAL 5 CO -0.02 0.22 0.03 -0.63 0.00 0.00 0.00 175.10 174.71 2c57 s ILE 6 N 1.48 3.46 -0.18 2.22 1.01 0.07 -1.25 121.20 128.01 2c57 s ILE 6 Ca 0.04 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 2c57 s ILE 6 Cb -0.16 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 2c57 s ILE 6 CO 0.00 0.02 0.16 -1.10 0.00 0.00 0.00 174.94 174.02 2c57 s GLN 7 N 1.39 4.06 0.00 2.79 -1.52 0.60 -0.85 119.66 126.13 2c57 s GLN 7 Ca -0.00 -0.16 0.00 0.00 -1.95 0.00 0.00 55.36 53.25 2c57 s GLN 7 Cb -0.18 -3.38 0.00 0.00 -0.22 0.00 0.00 33.01 29.23 2c57 s GLN 7 CO 0.00 0.38 0.00 0.41 -0.25 0.00 0.00 175.29 175.83 2c57 n GLY 8 N 3.20 0.89 3.66 3.09 0.00 -0.61 -0.66 105.19 114.76 2c57 n GLY 8 Ca -0.16 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.63 0.56 0.00 1.61 -0.04 -0.68 -2.29 135.00 133.53 2c57 n PRO 9 Ca 0.00 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2c57 n PRO 9 Cb 0.00 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 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 -2.12 0.00 -0.07 3.54 3.02 -1.26 -4.65 115.26 113.72 2c57 n ASN 10 Ca 0.14 0.00 0.24 0.00 -0.03 0.00 0.00 54.58 54.93 2c57 n ASN 10 Cb 0.49 -0.47 0.72 0.00 -0.61 0.00 0.00 39.78 39.91 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 -1.81 0.93 115.31 120.35 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 -0.46 0.09 0.00 0.00 178.44 178.07 2c57 n ASN 12 N -4.19 0.67 -0.44 -0.43 6.94 -1.26 -3.08 115.26 113.46 2c57 n ASN 12 Ca 0.14 0.69 0.05 0.00 -0.02 0.00 0.00 54.58 55.44 2c57 n ASN 12 Cb 0.79 -0.82 0.16 0.00 -2.36 0.00 0.00 39.78 37.54 2c57 n ASN 12 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2c57 n MET 13 N -2.27 1.56 -2.09 -3.83 2.81 0.32 -4.68 117.12 108.95 2c57 n MET 13 Ca 0.01 -0.86 -0.42 0.00 -1.81 0.00 0.00 57.70 54.62 2c57 n MET 13 Cb 0.19 -1.22 -0.03 0.00 -0.71 0.00 0.00 33.22 31.46 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 -1.09 4.36 0.00 4.03 1.43 -1.18 -2.29 118.68 123.94 2c57 s LEU 14 Ca 0.19 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 2c57 s LEU 14 Cb 0.10 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2c57 s LEU 14 CO 0.13 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.59 2c57 n GLY 15 N 3.65 1.85 0.13 -3.19 0.00 -1.17 -3.93 105.19 102.53 2c57 n GLY 15 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.28 0.17 0.00 1.61 1.44 -0.97 -4.93 115.22 112.26 2c57 n HIS 16 Ca 0.00 0.05 -0.00 0.00 -2.01 0.00 0.00 57.72 55.76 2c57 n HIS 16 Cb 0.00 -1.02 -0.00 0.00 0.12 0.00 0.00 29.99 29.09 2c57 n HIS 16 CO 0.00 0.00 0.00 0.07 -2.81 0.00 0.00 176.34 173.60 2c57 h ARG 17 N -0.36 -0.01 -5.81 -1.40 0.11 -1.78 -3.53 114.38 101.60 2c57 h ARG 17 Ca -0.59 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.20 2c57 h ARG 17 Cb 1.79 0.00 0.15 0.00 1.11 0.00 0.00 29.97 33.03 2c57 h ARG 17 CO -0.19 -0.01 -1.23 0.41 0.10 0.00 0.00 179.97 179.06 2c57 n GLY 23 N -1.00 -2.24 2.43 0.08 0.00 -1.26 -5.12 105.19 98.07 2c57 n GLY 23 Ca -0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 0.88 2.62 -4.75 1.61 0.00 -1.26 -4.59 117.12 111.62 2c57 n MET 24 Ca 0.00 -1.64 -0.24 0.00 -0.00 0.00 0.00 57.70 55.83 2c57 n MET 24 Cb 0.44 -2.50 -0.15 0.00 0.00 0.00 0.00 33.22 31.01 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 1.37 0.38 1.12 1.01 -1.26 -4.90 120.40 120.79 2c57 s VAL 25 Ca 0.53 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2c57 s VAL 25 Cb 0.15 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2c57 s VAL 25 CO -0.04 0.32 0.61 0.42 0.00 0.00 0.00 175.10 176.42 2c57 s THR 26 N -0.50 5.05 0.27 3.92 -4.23 -1.25 -3.05 115.64 115.85 2c57 s THR 26 Ca 0.06 -0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.27 2c57 s THR 26 Cb -0.07 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 70.18 2c57 s THR 26 CO -0.00 -0.63 1.90 0.25 -0.54 0.00 0.00 174.62 175.59 2c57 h LEU 27 N 0.63 1.04 -0.45 4.79 5.85 -1.81 -1.66 115.31 123.70 2c57 h LEU 27 Ca -0.49 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.30 2c57 h LEU 27 Cb 1.21 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 2c57 h LEU 27 CO 0.61 0.68 0.11 0.44 -0.34 0.00 0.00 178.44 179.95 2c57 h ASP 28 N 1.19 0.06 -0.36 1.25 3.32 -1.94 -0.40 116.42 119.53 2c57 h ASP 28 Ca 0.41 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.50 2c57 h ASP 28 Cb 0.11 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2c57 h ASP 28 CO -0.15 0.06 0.14 1.56 -1.72 0.00 0.00 179.24 179.13 2c57 h GLN 29 N 0.26 0.62 -0.46 3.56 4.20 -1.73 0.23 115.11 121.79 2c57 h GLN 29 Ca 0.22 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 2c57 h GLN 29 Cb 0.27 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2c57 h GLN 29 CO -0.27 0.54 0.10 0.82 -0.67 0.00 0.00 178.83 179.35 2c57 h ILE 30 N 0.61 1.24 -0.20 2.54 2.04 -0.34 -0.20 117.51 123.19 2c57 h ILE 30 Ca 0.14 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.17 2c57 h ILE 30 Cb 0.18 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2c57 h ILE 30 CO -0.01 0.30 0.11 0.45 0.00 0.00 0.00 178.15 179.00 2c57 h HIS 31 N 0.61 0.20 0.00 1.37 3.86 -0.27 -1.84 115.15 119.08 2c57 h HIS 31 Ca 0.14 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 2c57 h HIS 31 Cb 0.34 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 2c57 h HIS 31 CO 0.02 0.12 -0.22 1.05 0.86 0.00 0.00 177.93 179.77 2c57 h GLU 32 N 0.23 0.00 0.23 2.45 4.11 -0.80 -1.20 114.58 119.60 2c57 h GLU 32 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 2c57 h GLU 32 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2c57 h GLU 32 CO -0.04 0.22 -0.11 0.82 0.07 0.00 0.00 179.01 179.96 2c57 h ILE 33 N 0.00 0.78 -0.21 -1.06 2.04 -0.45 0.43 117.51 119.05 2c57 h ILE 33 Ca -0.00 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2c57 h ILE 33 Cb 0.59 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 2c57 h ILE 33 CO 0.03 0.01 -0.34 0.24 0.00 0.00 0.00 178.15 178.09 2c57 h MET 34 N -0.33 -0.36 -0.80 2.37 2.86 -0.45 0.98 114.93 119.21 2c57 h MET 34 Ca -0.03 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.73 2c57 h MET 34 Cb 0.25 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 31.87 2c57 h MET 34 CO 0.05 -0.24 -0.50 1.96 1.06 0.00 0.00 176.91 179.24 2c57 h GLN 35 N -0.37 -0.12 -0.92 1.72 7.50 -1.11 -0.16 115.11 121.66 2c57 h GLN 35 Ca 0.11 0.01 0.18 0.00 0.50 0.00 0.00 58.65 59.45 2c57 h GLN 35 Cb 0.56 0.03 -0.11 0.00 0.05 0.00 0.00 27.48 28.01 2c57 h GLN 35 CO -0.41 -0.08 0.50 1.15 -1.50 0.00 0.00 178.83 178.49 2c57 h THR 36 N -0.12 0.67 -0.64 -0.54 2.02 0.13 1.27 112.91 115.69 2c57 h THR 36 Ca 0.19 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 2c57 h THR 36 Cb 0.52 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2c57 h THR 36 CO -0.83 0.12 0.16 0.15 0.37 0.00 0.00 175.52 175.48 2c57 h PHE 37 N 0.63 1.05 0.05 3.16 3.57 0.82 -1.12 116.94 125.10 2c57 h PHE 37 Ca 0.53 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.92 2c57 h PHE 37 Cb 0.84 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2c57 h PHE 37 CO -0.06 0.86 -0.03 0.28 -2.23 0.00 0.00 178.31 177.13 2c57 h VAL 38 N 0.96 0.72 -0.99 1.41 2.07 0.34 0.41 116.25 121.17 2c57 h VAL 38 Ca 0.20 -1.43 0.29 0.00 0.82 0.00 0.00 66.70 66.59 2c57 h VAL 38 Cb 0.34 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2c57 h VAL 38 CO -0.00 0.23 0.74 0.11 0.02 0.00 0.00 177.57 178.67 2c57 h LYS 39 N -0.98 0.00 0.00 1.57 6.56 0.14 -0.75 116.57 123.10 2c57 h LYS 39 Ca -0.01 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.52 2c57 h LYS 39 Cb 0.44 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 2c57 h LYS 39 CO 0.01 0.00 -0.82 0.94 -2.06 0.00 0.00 179.45 177.52 2c57 n GLN 40 N -4.16 0.49 0.00 3.15 0.00 -0.42 -4.31 117.38 112.13 2c57 n GLN 40 Ca 0.21 0.47 0.00 0.00 -0.00 0.00 0.00 57.00 57.68 2c57 n GLN 40 Cb 1.08 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.67 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 0.00 2.34 1.69 0.00 0.15 -4.74 105.19 106.16 2c57 n GLY 41 Ca -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.89 -4.61 -4.72 1.61 2.85 -0.33 -4.95 115.26 104.22 2c57 n ASN 42 Ca 0.00 0.25 -0.40 0.00 -0.11 0.00 0.00 54.58 54.32 2c57 n ASN 42 Cb 0.00 -4.01 -0.05 0.00 1.24 0.00 0.00 39.78 36.96 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 -5.01 4.34 -0.88 1.20 1.43 -1.18 -4.98 118.68 113.59 2c57 s LEU 43 Ca 0.00 1.23 -0.25 0.00 -1.03 0.00 0.00 54.13 54.08 2c57 s LEU 43 Cb 0.00 -3.10 -0.06 0.00 0.03 0.00 0.00 46.19 43.06 2c57 s LEU 43 CO 0.00 -0.09 2.00 -0.62 0.23 0.00 0.00 176.35 177.87 2c57 s ASP 44 N 0.65 4.99 -0.17 2.29 -1.08 -1.26 -4.82 116.67 117.27 2c57 s ASP 44 Ca 0.38 -0.57 -0.04 0.00 -0.52 0.00 0.00 52.55 51.79 2c57 s ASP 44 Cb -0.18 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 38.80 2c57 s ASP 44 CO 0.19 -2.88 0.19 -0.69 0.52 0.00 0.00 175.17 172.49 2c57 s VAL 45 N 10.67 -0.27 -0.21 1.11 1.01 -1.26 -3.80 120.40 127.64 2c57 s VAL 45 Ca 0.73 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.45 2c57 s VAL 45 Cb -0.08 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 2c57 s VAL 45 CO 0.01 -0.12 0.90 -1.61 0.00 0.00 0.00 175.10 174.27 2c57 s GLU 46 N 2.29 4.24 0.03 2.72 8.01 -0.93 -4.95 118.70 130.11 2c57 s GLU 46 Ca 0.05 1.10 0.02 0.00 0.01 0.00 0.00 54.97 56.15 2c57 s GLU 46 Cb -0.15 -3.62 -0.04 0.00 -4.31 0.00 0.00 34.13 26.01 2c57 s GLU 46 CO -0.10 -0.50 0.03 -0.51 0.01 0.00 0.00 175.26 174.20 2c57 s LEU 47 N 2.74 3.64 -0.02 1.80 1.43 -1.26 0.93 118.68 127.94 2c57 s LEU 47 Ca 0.39 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 2c57 s LEU 47 Cb -0.16 -2.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.87 2c57 s LEU 47 CO 0.09 0.24 -0.12 -0.70 0.23 0.00 0.00 176.35 176.08 2c57 s GLU 48 N -1.90 1.09 -0.11 1.70 2.12 -0.44 -4.93 118.70 116.23 2c57 s GLU 48 Ca 0.23 -0.42 -0.02 0.00 0.36 0.00 0.00 54.97 55.12 2c57 s GLU 48 Cb -0.12 -1.02 -0.03 0.00 0.26 0.00 0.00 34.13 33.22 2c57 s GLU 48 CO 0.15 0.22 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.99 2c57 s PHE 49 N -0.10 3.04 -0.05 5.30 0.08 -1.26 -0.54 117.98 124.45 2c57 s PHE 49 Ca 0.01 -0.08 -0.02 0.00 0.12 0.00 0.00 56.93 56.97 2c57 s PHE 49 Cb -0.07 -1.85 0.04 0.00 -0.57 0.00 0.00 43.02 40.57 2c57 s PHE 49 CO 0.00 0.20 0.09 0.12 -0.10 0.00 0.00 175.22 175.53 2c57 s PHE 50 N -0.27 -0.07 0.04 0.36 5.36 -0.38 -4.99 117.98 118.03 2c57 s PHE 50 Ca 0.05 0.34 0.09 0.00 -0.96 0.00 0.00 56.93 56.44 2c57 s PHE 50 Cb -0.13 -0.21 -0.03 0.00 -0.34 0.00 0.00 43.02 42.32 2c57 s PHE 50 CO 0.02 -0.15 -0.25 -1.14 -1.46 0.00 0.00 175.22 172.24 2c57 s GLN 51 N 1.37 1.68 0.00 10.12 -0.44 -1.26 -0.29 119.66 130.84 2c57 s GLN 51 Ca -0.06 -1.05 -0.20 0.00 -2.50 0.00 0.00 55.36 51.54 2c57 s GLN 51 Cb -0.12 -1.83 0.04 0.00 -1.64 0.00 0.00 33.01 29.45 2c57 s GLN 51 CO -0.04 0.47 0.45 -0.08 0.50 0.00 0.00 175.29 176.59 2c57 s THR 52 N -0.80 0.04 -1.48 -0.34 -1.32 0.17 -4.95 115.64 106.96 2c57 s THR 52 Ca 0.10 -0.34 0.17 0.00 -1.21 0.00 0.00 61.69 60.41 2c57 s THR 52 Cb -0.10 -0.84 0.59 0.00 -1.51 0.00 0.00 72.50 70.64 2c57 s THR 52 CO 0.02 -0.19 1.48 0.59 -2.21 0.00 0.00 174.62 174.31 2c57 n ASN 53 N 0.87 3.82 -4.33 8.08 3.02 -1.26 -1.69 115.26 123.75 2c57 n ASN 53 Ca -0.20 -2.25 -0.35 0.00 -0.03 0.00 0.00 54.58 51.75 2c57 n ASN 53 Cb 0.58 -0.49 -0.14 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.59 3.01 0.16 3.10 0.40 -1.26 -4.78 117.98 117.02 2c57 s PHE 54 Ca 0.42 -0.87 -0.19 0.00 -0.60 0.00 0.00 56.93 55.69 2c57 s PHE 54 Cb 0.26 -2.14 0.08 0.00 0.51 0.00 0.00 43.02 41.72 2c57 s PHE 54 CO 0.23 -0.52 1.64 1.49 0.70 0.00 0.00 175.22 178.76 2c57 h GLU 55 N 8.14 -0.11 -0.89 0.44 4.81 -2.00 -1.94 114.58 123.03 2c57 h GLU 55 Ca -0.40 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.00 2c57 h GLU 55 Cb 1.16 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 2c57 h GLU 55 CO 0.60 -0.08 0.57 0.78 -0.73 0.00 0.00 179.01 180.16 2c57 h GLY 56 N -0.12 1.13 2.00 1.92 0.00 -1.99 -1.65 103.07 104.36 2c57 h GLY 56 Ca 0.18 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 2c57 h GLY 56 CO -0.43 0.06 -0.26 0.83 0.00 0.00 0.00 176.54 176.75 2c57 h GLU 57 N 0.62 0.00 -0.03 4.80 5.08 -1.78 0.33 114.58 123.60 2c57 h GLU 57 Ca 0.45 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.66 2c57 h GLU 57 Cb 0.83 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.09 2c57 h GLU 57 CO -0.20 0.26 -0.58 0.82 -1.00 0.00 0.00 179.01 178.30 2c57 h ILE 58 N 0.00 1.41 -0.08 3.13 2.04 -0.96 -1.88 117.51 121.17 2c57 h ILE 58 Ca -0.00 -2.01 -0.00 0.00 1.00 0.00 0.00 64.86 63.85 2c57 h ILE 58 Cb 0.83 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.38 2c57 h ILE 58 CO 0.03 0.59 0.04 0.40 0.00 0.00 0.00 178.15 179.22 2c57 h ILE 59 N -0.03 1.07 -0.65 -0.67 2.04 -1.04 -0.82 117.51 117.40 2c57 h ILE 59 Ca -0.06 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 65.72 2c57 h ILE 59 Cb 1.27 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 38.32 2c57 h ILE 59 CO 0.12 0.06 0.24 0.44 0.00 0.00 0.00 178.15 179.01 2c57 h ASP 60 N 0.05 0.23 -0.33 1.72 5.19 -0.39 -1.65 116.42 121.24 2c57 h ASP 60 Ca 0.03 0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.39 2c57 h ASP 60 Cb 0.05 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 2c57 h ASP 60 CO -0.00 0.12 -0.29 0.50 -3.12 0.00 0.00 179.24 176.44 2c57 h LYS 61 N 0.42 0.85 -0.52 3.56 1.63 -0.39 -0.01 116.57 122.11 2c57 h LYS 61 Ca 0.34 -0.39 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 2c57 h LYS 61 Cb 0.45 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 2c57 h LYS 61 CO -0.34 1.03 0.04 0.82 -3.45 0.00 0.00 179.45 177.55 2c57 h ILE 62 N 0.72 1.26 -0.20 2.00 2.04 -0.97 -2.25 117.51 120.10 2c57 h ILE 62 Ca 0.08 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 2c57 h ILE 62 Cb 0.85 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2c57 h ILE 62 CO 0.07 0.36 -0.01 1.56 0.00 0.00 0.00 178.15 180.14 2c57 h GLN 63 N 0.76 0.30 0.00 2.37 4.20 -0.73 -1.64 115.11 120.37 2c57 h GLN 63 Ca 0.15 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 2c57 h GLN 63 Cb 0.47 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2c57 h GLN 63 CO 0.02 0.34 -0.33 0.93 -0.67 0.00 0.00 178.83 179.11 2c57 h GLU 64 N 0.29 0.00 -0.53 1.46 5.08 -0.71 -3.25 114.58 116.93 2c57 h GLU 64 Ca 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2c57 h GLU 64 Cb 0.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2c57 h GLU 64 CO 0.01 0.33 0.20 0.66 -1.00 0.00 0.00 179.01 179.21 2c57 h SER 65 N 0.00 0.70 0.00 1.42 4.64 -0.70 -2.95 113.55 116.66 2c57 h SER 65 Ca -0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2c57 h SER 65 Cb 0.85 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2c57 h SER 65 CO 0.04 0.64 0.34 0.52 -0.87 0.00 0.00 176.83 177.51 2c57 n VAL 66 N -4.33 0.69 -3.39 0.95 0.31 -1.23 -4.29 118.33 107.04 2c57 n VAL 66 Ca 0.04 0.55 -0.38 0.00 -0.01 0.00 0.00 64.34 64.55 2c57 n VAL 66 Cb 0.17 -1.55 -0.06 0.00 -0.91 0.00 0.00 33.84 31.49 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 -2.49 2.39 0.00 2.92 0.00 -1.12 -5.04 107.32 103.99 2c57 s GLY 67 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2c57 s GLY 67 CO 0.02 0.58 0.00 1.44 0.00 0.00 0.00 173.10 175.13 2c57 n SER 68 N 3.22 0.00 0.00 1.64 7.64 -1.26 -3.83 113.62 121.02 2c57 n SER 68 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 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 -4.69 6.43 3.85 -1.26 -4.43 116.55 116.45 2c57 n ASP 69 Ca 0.00 0.00 -0.38 0.00 -0.71 0.00 0.00 54.79 53.70 2c57 n ASP 69 Cb 0.00 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 39.70 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 -1.04 3.41 -0.33 2.11 1.51 -1.25 -3.59 117.35 118.17 2c57 s TYR 70 Ca 0.00 0.68 0.22 0.00 -1.01 0.00 0.00 57.07 56.96 2c57 s TYR 70 Cb 0.00 -2.52 -0.27 0.00 -0.11 0.00 0.00 41.96 39.06 2c57 s TYR 70 CO 0.00 0.05 0.65 0.39 -1.11 0.00 0.00 175.55 175.53 2c57 n GLU 71 N 4.22 0.46 -3.44 -0.62 1.02 -0.27 -4.96 120.64 117.05 2c57 n GLU 71 Ca -0.08 -0.12 -0.11 0.00 -0.02 0.00 0.00 57.16 56.82 2c57 n GLU 71 Cb 0.51 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 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 -4.06 -0.59 -0.05 0.62 0.00 -1.26 -4.07 107.32 97.90 2c57 s GLY 72 Ca -0.03 0.54 0.04 0.00 0.00 0.00 0.00 44.72 45.27 2c57 s GLY 72 CO 0.89 0.18 -0.18 -0.42 0.00 0.00 0.00 173.10 173.56 2c57 s ILE 73 N -3.67 1.53 -0.11 0.90 1.01 -0.04 -1.09 121.20 119.72 2c57 s ILE 73 Ca 0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 2c57 s ILE 73 Cb -0.01 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 2c57 s ILE 73 CO -0.12 0.44 0.02 -0.63 0.00 0.00 0.00 174.94 174.65 2c57 s ILE 74 N 0.15 4.45 -0.10 2.92 1.01 0.10 -1.20 121.20 128.52 2c57 s ILE 74 Ca -0.07 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 2c57 s ILE 74 Cb -0.13 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.46 2c57 s ILE 74 CO 0.03 0.57 0.27 -0.51 0.00 0.00 0.00 174.94 175.30 2c57 s ILE 75 N -0.52 -0.01 -0.66 2.92 2.07 0.06 -0.75 121.20 124.31 2c57 s ILE 75 Ca 0.09 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.40 2c57 s ILE 75 Cb -0.12 -0.39 0.16 0.00 0.13 0.00 0.00 42.46 42.24 2c57 s ILE 75 CO 0.02 0.01 0.45 0.21 -1.91 0.00 0.00 174.94 173.72 2c57 s ASN 76 N 0.38 4.82 0.11 4.50 3.84 -0.03 -0.69 114.94 127.87 2c57 s ASN 76 Ca -0.02 -3.51 0.05 0.00 0.21 0.00 0.00 52.86 49.59 2c57 s ASN 76 Cb -0.04 -1.68 0.28 0.00 -0.55 0.00 0.00 41.25 39.26 2c57 s ASN 76 CO -0.02 -0.16 1.02 -2.65 -2.79 0.00 0.00 177.10 172.51 2c57 n PRO 77 N 2.46 0.04 0.00 0.43 -0.02 -1.26 -1.58 135.00 135.07 2c57 n PRO 77 Ca 0.14 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2c57 n PRO 77 Cb 0.34 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 -1.31 2.23 0.43 -1.23 0.00 -1.26 -2.27 105.19 101.77 2c57 n GLY 78 Ca -0.00 -0.42 0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.82 2.38 0.00 4.61 0.00 -1.91 0.27 119.26 123.80 2c57 h ALA 79 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2c57 h ALA 79 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2c57 h ALA 79 CO 0.00 -0.97 0.00 1.19 0.00 0.00 0.00 179.25 179.47 2c57 n PHE 80 N -3.62 0.42 -0.21 0.00 3.72 -0.96 -2.76 117.46 114.05 2c57 n PHE 80 Ca 0.12 0.17 -0.04 0.00 -0.05 0.00 0.00 57.45 57.65 2c57 n PHE 80 Cb 0.88 -0.78 0.06 0.00 -0.94 0.00 0.00 39.48 38.71 2c57 n PHE 80 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2c57 h SER 81 N 0.00 0.61 1.81 4.37 0.02 -0.57 0.21 113.55 120.00 2c57 h SER 81 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2c57 h SER 81 Cb 0.28 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2c57 h SER 81 CO 0.00 0.43 -0.13 0.45 -1.14 0.00 0.00 176.83 176.44 2c57 h HIS 82 N 0.74 0.00 0.00 3.45 3.86 -1.71 -0.35 115.15 121.14 2c57 h HIS 82 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2c57 h HIS 82 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2c57 h HIS 82 CO -0.05 0.13 -0.80 0.25 0.86 0.00 0.00 177.93 178.32 2c57 n THR 83 N -3.14 0.00 -3.02 2.45 -2.24 -0.99 -4.59 114.28 102.75 2c57 n THR 83 Ca 0.03 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.37 2c57 n THR 83 Cb 0.57 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 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 6.73 0.37 3.42 0.15 0.72 -4.82 113.70 118.55 2c57 s SER 84 Ca 0.00 -2.32 0.06 0.00 0.70 0.00 0.00 55.95 54.39 2c57 s SER 84 Cb 0.00 -2.36 0.77 0.00 -1.71 0.00 0.00 66.02 62.72 2c57 s SER 84 CO 0.00 -0.91 1.97 0.40 1.20 0.00 0.00 173.24 175.91 2c57 h ILE 85 N 5.43 1.03 0.25 6.45 2.04 -1.93 -2.78 117.51 128.00 2c57 h ILE 85 Ca 0.17 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2c57 h ILE 85 Cb 1.01 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2c57 h ILE 85 CO 1.05 0.13 -0.12 0.00 0.00 0.00 0.00 178.15 179.21 2c57 h ALA 86 N 1.63 -0.34 -0.68 1.87 0.00 -1.97 0.76 119.26 120.53 2c57 h ALA 86 Ca 0.29 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2c57 h ALA 86 Cb 0.23 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2c57 h ALA 86 CO -0.09 -0.68 0.45 0.82 0.00 0.00 0.00 179.25 179.74 2c57 h ILE 87 N -0.35 1.03 0.01 0.00 2.04 -1.91 0.69 117.51 119.02 2c57 h ILE 87 Ca -0.03 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 2c57 h ILE 87 Cb 0.27 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2c57 h ILE 87 CO 0.06 0.13 -0.00 0.00 0.00 0.00 0.00 178.15 178.33 2c57 h ALA 88 N 1.63 -0.01 -0.98 1.87 0.00 -1.22 0.11 119.26 120.65 2c57 h ALA 88 Ca 0.29 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.22 2c57 h ALA 88 Cb 0.23 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 2c57 h ALA 88 CO -0.09 -0.32 0.62 -0.44 0.00 0.00 0.00 179.25 179.02 2c57 h ASP 89 N -0.39 0.59 0.04 0.00 5.19 -0.12 -0.92 116.42 120.81 2c57 h ASP 89 Ca -0.00 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2c57 h ASP 89 Cb 0.38 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2c57 h ASP 89 CO 0.00 0.19 -0.02 0.00 -3.12 0.00 0.00 179.24 176.29 2c57 h ALA 90 N 1.63 -0.06 -1.05 3.45 0.00 -0.30 -2.69 119.26 120.25 2c57 h ALA 90 Ca 0.55 -0.29 0.30 0.00 0.00 0.00 0.00 54.91 55.48 2c57 h ALA 90 Cb 1.14 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2c57 h ALA 90 CO -0.30 -0.23 0.75 0.82 0.00 0.00 0.00 179.25 180.29 2c57 h ILE 91 N -0.68 0.48 0.00 0.00 2.04 -0.07 0.24 117.51 119.52 2c57 h ILE 91 Ca -0.01 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2c57 h ILE 91 Cb 0.59 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2c57 h ILE 91 CO 0.01 0.00 -0.12 0.24 0.00 0.00 0.00 178.15 178.28 2c57 h MET 92 N 0.02 0.00 -0.02 2.37 2.86 -0.85 -2.75 114.93 116.56 2c57 h MET 92 Ca 0.50 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.14 2c57 h MET 92 Cb 1.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.64 2c57 h MET 92 CO -0.02 0.12 -0.06 1.28 1.06 0.00 0.00 176.91 179.30 2c57 n LEU 93 N -3.17 1.99 0.09 1.22 4.77 0.04 -4.23 117.00 117.72 2c57 n LEU 93 Ca 0.02 -0.66 0.18 0.00 -0.03 0.00 0.00 56.01 55.52 2c57 n LEU 93 Cb 0.49 -0.01 0.72 0.00 -2.33 0.00 0.00 43.42 42.29 2c57 n LEU 93 CO 0.33 0.34 1.16 0.00 -1.33 0.00 0.00 177.39 177.89 2c57 h ALA 94 N 4.38 2.23 -6.51 -1.18 0.00 -1.16 -3.45 119.26 113.57 2c57 h ALA 94 Ca 0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 2c57 h ALA 94 Cb 0.68 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2c57 h ALA 94 CO 0.00 -0.49 -0.91 0.41 0.00 0.00 0.00 179.25 178.26 2c57 n GLY 95 N -1.56 -0.43 0.00 0.00 0.00 -1.26 -4.80 105.19 97.14 2c57 n GLY 95 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.42 0.00 -1.67 1.61 2.85 -1.26 -5.13 118.16 110.14 2c57 n LYS 96 Ca -0.25 0.00 -0.49 0.00 -1.05 0.00 0.00 58.31 56.52 2c57 n LYS 96 Cb 0.66 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.99 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 -0.20 1.92 -5.18 -1.58 -0.02 -1.26 -4.85 135.00 123.84 2c57 n PRO 97 Ca 0.00 0.70 -0.31 0.00 -2.02 0.00 0.00 63.50 61.87 2c57 n PRO 97 Cb 0.00 -2.48 -0.17 0.00 -0.02 0.00 0.00 33.50 30.83 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 2.68 1.99 -0.14 -1.45 1.01 -1.26 -0.86 120.40 122.36 2c57 s VAL 98 Ca 0.88 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2c57 s VAL 98 Cb -0.77 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2c57 s VAL 98 CO 0.49 0.55 -0.19 -0.63 0.00 0.00 0.00 175.10 175.31 2c57 s ILE 99 N 0.28 1.91 -0.10 2.22 1.01 -0.34 -2.56 121.20 123.62 2c57 s ILE 99 Ca -0.16 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.41 2c57 s ILE 99 Cb -0.17 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2c57 s ILE 99 CO 0.08 0.52 0.57 -0.70 0.00 0.00 0.00 174.94 175.41 2c57 s GLU 100 N 1.03 4.38 -0.06 2.79 2.12 -0.88 -0.76 118.70 127.33 2c57 s GLU 100 Ca -0.03 0.63 0.03 0.00 0.36 0.00 0.00 54.97 55.96 2c57 s GLU 100 Cb -0.15 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 2c57 s GLU 100 CO -0.05 0.12 -0.13 0.08 -0.54 0.00 0.00 175.26 174.73 2c57 s VAL 101 N 0.69 3.12 -0.04 3.70 1.01 0.13 -0.61 120.40 128.40 2c57 s VAL 101 Ca 0.31 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2c57 s VAL 101 Cb -0.16 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 2c57 s VAL 101 CO 0.14 0.58 -0.14 -1.00 0.00 0.00 0.00 175.10 174.68 2c57 s HIS 102 N -0.61 1.43 0.05 5.22 3.76 -0.06 -4.27 115.29 120.81 2c57 s HIS 102 Ca 0.09 -0.40 -0.25 0.00 -0.15 0.00 0.00 55.06 54.35 2c57 s HIS 102 Cb -0.11 -0.98 -0.17 0.00 1.11 0.00 0.00 32.58 32.43 2c57 s HIS 102 CO 0.01 -0.15 1.57 -0.07 -0.85 0.00 0.00 174.74 175.25 2c57 h LEU 103 N 6.34 -0.08-10.60 0.89 3.38 -1.88 -2.17 115.31 111.18 2c57 h LEU 103 Ca -0.33 -0.14 -0.45 0.00 0.09 0.00 0.00 57.88 57.05 2c57 h LEU 103 Cb 1.17 0.02 0.06 0.00 0.09 0.00 0.00 40.66 42.01 2c57 h LEU 103 CO 0.48 0.09 0.02 0.42 0.09 0.00 0.00 178.44 179.54 2c57 s THR 104 N -5.56 2.39 -0.84 0.22 -4.23 -1.26 -0.77 115.64 105.59 2c57 s THR 104 Ca -0.14 -0.65 -0.17 0.00 -1.18 0.00 0.00 61.69 59.55 2c57 s THR 104 Cb 0.04 -2.74 0.17 0.00 1.34 0.00 0.00 72.50 71.31 2c57 s THR 104 CO 0.65 0.00 0.91 0.21 -0.54 0.00 0.00 174.62 175.85 2c57 s ASN 105 N -4.58 6.62 0.57 3.99 3.84 -1.26 -1.22 114.94 122.90 2c57 s ASN 105 Ca 0.62 -2.25 0.38 0.00 0.21 0.00 0.00 52.86 51.82 2c57 s ASN 105 Cb -0.08 -2.30 1.99 0.00 -0.55 0.00 0.00 41.25 40.31 2c57 s ASN 105 CO 0.41 -0.85 2.16 0.16 -2.79 0.00 0.00 177.10 176.18 2c57 h ILE 106 N 5.38 0.00 -0.68 -5.21 3.07 -1.92 0.39 117.51 118.53 2c57 h ILE 106 Ca 0.07 -0.08 0.15 0.00 1.55 0.00 0.00 64.86 66.55 2c57 h ILE 106 Cb 1.04 0.96 -0.04 0.00 -0.27 0.00 0.00 36.82 38.51 2c57 h ILE 106 CO 0.95 0.00 0.47 1.56 -1.05 0.00 0.00 178.15 180.07 2c57 h GLN 107 N 0.00 0.28 -0.50 0.16 1.08 -1.84 -3.29 115.11 110.99 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 0.08 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2c57 h GLN 107 CO 0.00 0.18 0.00 0.00 -0.95 0.00 0.00 178.83 178.06 2c57 n ALA 108 N -2.56 2.32 -2.61 3.87 0.00 0.14 -4.90 120.51 116.77 2c57 n ALA 108 Ca 0.13 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2c57 n ALA 108 Cb 0.55 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 1.19 3.56 -1.49 0.00 1.74 -1.24 -5.04 116.66 115.37 2c57 n ARG 109 Ca 0.18 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.94 2c57 n ARG 109 Cb 0.54 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.05 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 3.76 2.52 0.21 5.56 8.01 -1.26 -4.92 118.70 132.59 2c57 s GLU 110 Ca 0.00 1.26 -0.19 0.00 0.01 0.00 0.00 54.97 56.05 2c57 s GLU 110 Cb 0.00 -1.92 0.20 0.00 -4.31 0.00 0.00 34.13 28.09 2c57 s GLU 110 CO 0.00 -1.45 1.57 1.49 0.01 0.00 0.00 175.26 176.88 2c57 h GLU 111 N -0.60 -0.06 0.00 1.61 4.57 -1.94 -0.87 114.58 117.28 2c57 h GLU 111 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2c57 h GLU 111 Cb 1.24 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2c57 h GLU 111 CO 0.53 -0.04 0.00 1.97 -1.18 0.00 0.00 179.01 180.29 2c57 n PHE 112 N -5.46 0.00 1.05 0.92 1.16 -1.26 -1.24 117.46 112.63 2c57 n PHE 112 Ca 0.08 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.77 2c57 n PHE 112 Cb 0.38 -0.48 0.13 0.00 -1.61 0.00 0.00 39.48 37.91 2c57 n PHE 112 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2c57 n ARG 113 N -1.48 0.34 0.24 3.97 1.74 -0.33 -4.75 116.66 116.39 2c57 n ARG 113 Ca 0.01 -0.24 -0.09 0.00 -0.77 0.00 0.00 57.85 56.75 2c57 n ARG 113 Cb 0.03 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 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 0.59 -0.59 -7.09 5.56 1.57 -1.24 -3.42 116.57 111.95 2c57 h LYS 114 Ca 0.00 0.04 -0.55 0.00 -1.87 0.00 0.00 60.65 58.27 2c57 h LYS 114 Cb 0.54 0.13 0.15 0.00 0.08 0.00 0.00 32.23 33.13 2c57 h LYS 114 CO 0.00 -0.39 0.55 1.21 -0.57 0.00 0.00 179.45 180.24 2c57 s ASN 115 N -3.20 4.83 -0.17 0.86 2.47 -1.26 -4.57 114.94 113.90 2c57 s ASN 115 Ca -0.09 2.67 -0.00 0.00 0.42 0.00 0.00 52.86 55.86 2c57 s ASN 115 Cb 0.01 -2.62 0.04 0.00 -1.45 0.00 0.00 41.25 37.22 2c57 s ASN 115 CO 0.27 -1.86 -0.07 -0.55 -3.72 0.00 0.00 177.10 171.16 2c57 s SER 116 N -1.26 2.96 0.05 -4.21 0.15 -1.26 -4.35 113.70 105.77 2c57 s SER 116 Ca 0.79 -0.70 -0.22 0.00 0.70 0.00 0.00 55.95 56.52 2c57 s SER 116 Cb -0.38 -1.02 -0.14 0.00 -1.71 0.00 0.00 66.02 62.76 2c57 s SER 116 CO 0.42 -0.16 1.47 1.88 1.20 0.00 0.00 173.24 178.05 2c57 h TYR 117 N 8.07 0.22 -0.75 3.44 0.05 -1.30 -2.59 116.97 124.11 2c57 h TYR 117 Ca -0.27 -0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.52 2c57 h TYR 117 Cb 1.11 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 38.75 2c57 h TYR 117 CO 0.47 0.45 0.50 1.79 -1.05 0.00 0.00 178.16 180.32 2c57 h THR 118 N -0.08 1.10 -0.21 -2.88 1.35 -1.78 -2.65 112.91 107.76 2c57 h THR 118 Ca 0.03 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.58 2c57 h THR 118 Cb 0.37 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2c57 h THR 118 CO 0.01 0.16 0.10 1.23 -0.25 0.00 0.00 175.52 176.77 2c57 h GLY 119 N 0.90 0.32 0.88 5.82 0.00 -1.78 -1.70 103.07 107.51 2c57 h GLY 119 Ca 0.31 -0.15 0.16 0.00 0.00 0.00 0.00 47.33 47.64 2c57 h GLY 119 CO -0.09 0.15 0.41 0.00 0.00 0.00 0.00 176.54 177.00 2c57 h ALA 120 N 0.97 2.49 0.13 3.60 0.00 -1.11 -2.70 119.26 122.65 2c57 h ALA 120 Ca 0.07 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 2c57 h ALA 120 Cb 0.10 0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.95 2c57 h ALA 120 CO -0.01 -0.66 -0.82 0.00 0.00 0.00 0.00 179.25 177.76 2c57 h ALA 121 N 1.72 -0.06 -2.74 0.00 0.00 -1.24 -3.44 119.26 113.50 2c57 h ALA 121 Ca 0.27 -0.73 -0.55 0.00 0.00 0.00 0.00 54.91 53.90 2c57 h ALA 121 Cb 1.04 0.14 0.18 0.00 0.00 0.00 0.00 17.79 19.14 2c57 h ALA 121 CO -0.01 0.40 0.16 0.00 0.00 0.00 0.00 179.25 179.80 2c57 h GLY 123 N -0.18 0.00 -4.35 0.00 0.00 -1.74 -3.46 103.07 93.34 2c57 h GLY 123 Ca -0.48 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.04 2c57 h GLY 123 CO 0.48 0.00 0.77 -0.32 0.00 0.00 0.00 176.54 177.46 2c57 s GLY 124 N -4.17 -0.16 -0.04 4.60 0.00 -1.26 -5.10 107.32 101.18 2c57 s GLY 124 Ca -0.03 2.12 0.01 0.00 0.00 0.00 0.00 44.72 46.82 2c57 s GLY 124 CO 0.58 0.87 -0.05 0.14 0.00 0.00 0.00 173.10 174.63 2c57 s VAL 125 N -1.58 0.59 -0.16 1.40 1.01 -1.26 -2.07 120.40 118.34 2c57 s VAL 125 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2c57 s VAL 125 Cb -0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 2c57 s VAL 125 CO -0.04 0.23 -0.05 -0.63 0.00 0.00 0.00 175.10 174.61 2c57 s ILE 126 N 0.83 3.68 -0.09 2.22 1.01 0.21 -5.00 121.20 124.07 2c57 s ILE 126 Ca -0.12 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 2c57 s ILE 126 Cb -0.14 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.74 2c57 s ILE 126 CO 0.01 0.49 0.28 0.00 0.00 0.00 0.00 174.94 175.71 2c57 s MET 127 N 0.52 0.39 0.00 2.79 0.23 -1.26 -0.88 119.30 121.09 2c57 s MET 127 Ca -0.04 0.26 0.00 0.00 -1.03 0.00 0.00 55.69 54.88 2c57 s MET 127 Cb -0.15 0.18 0.00 0.00 -1.53 0.00 0.00 34.83 33.34 2c57 s MET 127 CO 0.03 -0.06 0.00 0.41 -2.03 0.00 0.00 175.02 173.36 2c57 n GLY 128 N 2.60 0.99 0.38 3.16 0.00 -0.36 -4.70 105.19 107.26 2c57 n GLY 128 Ca -0.15 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.71 0.08 -2.99 1.61 3.01 -0.80 -4.73 117.46 110.94 2c57 n PHE 129 Ca 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.34 2c57 n PHE 129 Cb 0.24 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 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 0.43 1.21 0.24 1.37 0.00 0.05 -3.44 105.19 105.05 2c57 n GLY 130 Ca 0.06 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 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 0.41 -1.20 1.61 0.11 -1.93 -1.95 132.00 129.05 2c57 h PRO 131 Ca 0.00 -0.12 0.43 0.00 0.11 0.00 0.00 66.00 66.42 2c57 h PRO 131 Cb 0.00 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 30.93 2c57 h PRO 131 CO 0.00 0.57 0.75 -0.11 -0.21 0.00 0.00 178.00 179.00 2c57 n LEU 132 N -4.19 0.23 0.09 2.35 7.94 -1.22 0.76 117.00 122.95 2c57 n LEU 132 Ca -0.00 1.36 0.09 0.00 -1.11 0.00 0.00 56.01 56.35 2c57 n LEU 132 Cb 0.33 -0.66 0.56 0.00 0.53 0.00 0.00 43.42 44.18 2c57 n LEU 132 CO 0.40 -1.49 1.13 1.23 -1.11 0.00 0.00 177.39 177.56 2c57 h GLY 133 N 0.00 0.26 0.75 -3.96 0.00 -1.52 0.14 103.07 98.75 2c57 h GLY 133 Ca 0.81 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 48.05 2c57 h GLY 133 CO -0.50 0.07 -0.09 -0.97 0.00 0.00 0.00 176.54 175.05 2c57 h TYR 134 N 0.22 -0.25 -0.42 5.60 -1.99 0.15 -0.67 116.97 119.61 2c57 h TYR 134 Ca 0.13 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.92 2c57 h TYR 134 Cb 0.24 0.08 -0.06 0.00 2.00 0.00 0.00 36.73 38.99 2c57 h TYR 134 CO -0.00 0.03 0.07 -0.91 -0.00 0.00 0.00 178.16 177.35 2c57 h ASN 135 N -0.52 -0.02 -1.01 3.88 4.21 -1.24 0.44 115.58 121.33 2c57 h ASN 135 Ca -0.03 0.07 0.37 0.00 1.21 0.00 0.00 56.30 57.92 2c57 h ASN 135 Cb 0.39 0.11 -0.16 0.00 -1.12 0.00 0.00 38.32 37.53 2c57 h ASN 135 CO 0.04 0.03 0.56 0.24 -1.29 0.00 0.00 177.43 177.01 2c57 h MET 136 N 0.20 0.18 0.00 0.81 2.86 -0.62 0.25 114.93 118.61 2c57 h MET 136 Ca 0.20 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2c57 h MET 136 Cb 0.26 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2c57 h MET 136 CO -0.28 0.12 -0.00 0.00 1.06 0.00 0.00 176.91 177.81 2c57 h ALA 137 N 1.91 -0.00 -0.74 6.32 0.00 0.14 -1.75 119.26 125.14 2c57 h ALA 137 Ca 0.79 -0.33 0.16 0.00 0.00 0.00 0.00 54.91 55.52 2c57 h ALA 137 Cb 1.94 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.59 2c57 h ALA 137 CO -0.67 -0.17 -0.11 -0.07 0.00 0.00 0.00 179.25 178.23 2c57 h LEU 138 N -0.67 -0.54 -0.71 0.00 3.38 -0.71 0.27 115.31 116.32 2c57 h LEU 138 Ca -0.00 0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.29 2c57 h LEU 138 Cb 0.67 0.41 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 2c57 h LEU 138 CO 0.00 -0.22 0.32 -0.03 0.09 0.00 0.00 178.44 178.60 2c57 h MET 139 N 0.04 0.52 -0.02 1.13 4.05 -0.67 -0.43 114.93 119.55 2c57 h MET 139 Ca 0.38 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.72 2c57 h MET 139 Cb 0.62 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 2c57 h MET 139 CO -0.72 0.34 -0.16 0.00 0.23 0.00 0.00 176.91 176.61 2c57 h ALA 140 N 1.46 0.05 -0.18 0.39 0.00 -0.15 -2.98 119.26 117.85 2c57 h ALA 140 Ca 0.36 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2c57 h ALA 140 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 2c57 h ALA 140 CO -0.31 0.00 -0.28 1.98 0.00 0.00 0.00 179.25 180.65 2c57 h MET 141 N -0.49 -0.31 -0.70 0.00 -1.53 -0.06 -0.12 114.93 111.73 2c57 h MET 141 Ca -0.01 0.02 0.11 0.00 -3.44 0.00 0.00 59.70 56.38 2c57 h MET 141 Cb 0.85 0.07 -0.12 0.00 -0.55 0.00 0.00 31.60 31.85 2c57 h MET 141 CO 0.03 -0.20 -0.40 0.28 0.14 0.00 0.00 176.91 176.76 2c57 h VAL 142 N -0.32 0.09 -0.65 -5.77 2.07 -1.18 -0.96 116.25 109.53 2c57 h VAL 142 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.69 2c57 h VAL 142 Cb 0.50 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 2c57 h VAL 142 CO -0.36 0.00 0.36 0.78 0.02 0.00 0.00 177.57 178.37 2c57 h ASN 143 N -0.14 0.53 -0.32 0.57 2.35 -0.91 -1.35 115.58 116.31 2c57 h ASN 143 Ca 0.23 0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.85 2c57 h ASN 143 Cb 0.56 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2c57 h ASN 143 CO -0.77 0.35 -0.42 0.40 -1.65 0.00 0.00 177.43 175.34 2c57 h ILE 144 N 0.67 1.27 -0.55 2.81 2.04 -0.24 -1.77 117.51 121.74 2c57 h ILE 144 Ca 0.29 -1.60 -0.11 0.00 1.00 0.00 0.00 64.86 64.44 2c57 h ILE 144 Cb 0.18 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2c57 h ILE 144 CO -0.18 0.53 -0.08 -0.07 0.00 0.00 0.00 178.15 178.35 2c57 h LEU 145 N 0.72 1.02 -0.57 1.44 3.38 -1.13 0.96 115.31 121.13 2c57 h LEU 145 Ca 0.05 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2c57 h LEU 145 Cb 1.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2c57 h LEU 145 CO 0.10 1.12 0.33 0.00 0.09 0.00 0.00 178.44 180.08 2c57 h ALA 146 N 0.97 0.73 -0.00 1.53 0.00 -1.08 -1.99 119.26 119.42 2c57 h ALA 146 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2c57 h ALA 146 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2c57 h ALA 146 CO 0.04 0.03 -0.04 1.49 0.00 0.00 0.00 179.25 180.78 2c57 h GLU 147 N 0.64 0.03 -0.60 0.00 4.81 -0.76 -1.82 114.58 116.88 2c57 h GLU 147 Ca 0.24 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.55 2c57 h GLU 147 Cb 0.07 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.34 2c57 h GLU 147 CO -0.12 0.75 -0.32 0.52 -0.73 0.00 0.00 179.01 179.11 2c57 h MET 148 N -0.68 -0.14 -0.92 1.92 2.86 -0.90 -1.33 114.93 115.72 2c57 h MET 148 Ca -0.00 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 2c57 h MET 148 Cb 0.77 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.39 2c57 h MET 148 CO 0.01 -0.09 0.60 0.87 1.06 0.00 0.00 176.91 179.35 2c57 h LYS 149 N -0.15 0.98 -0.60 1.72 1.57 -1.31 -0.72 116.57 118.06 2c57 h LYS 149 Ca 0.24 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 2c57 h LYS 149 Cb 0.55 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2c57 h LYS 149 CO -0.68 0.65 0.07 0.00 -0.57 0.00 0.00 179.45 178.91 2c57 h ALA 150 N 1.52 0.98 -0.01 3.86 0.00 -0.42 -3.30 119.26 121.90 2c57 h ALA 150 Ca 0.41 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2c57 h ALA 150 Cb 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2c57 h ALA 150 CO -0.17 0.63 -0.13 0.35 0.00 0.00 0.00 179.25 179.94 2c57 h PHE 151 N 0.93 0.14 0.00 0.00 -0.00 -0.12 -1.56 116.94 116.33 2c57 h PHE 151 Ca 0.18 -0.07 0.00 0.00 -0.00 0.00 0.00 57.97 58.08 2c57 h PHE 151 Cb 0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.38 2c57 h PHE 151 CO 0.03 0.84 0.00 1.04 -0.00 0.00 0.00 178.31 180.23 2c57 n GLN 152 N -4.61 0.08 -0.05 1.11 6.02 -0.52 -1.17 117.38 118.23 2c57 n GLN 152 Ca -0.09 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 2c57 n GLN 152 Cb 0.43 -1.76 -0.16 0.00 1.02 0.00 0.00 30.24 29.77 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 -1.92 0.73 0.11 -1.09 1.02 -1.20 -2.88 120.64 115.41 2c57 n GLU 153 Ca -0.01 -0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 56.90 2c57 n GLU 153 Cb 0.02 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 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 1.43 -0.25 0.15 0.62 0.00 -0.08 -3.27 119.26 117.85 2c57 h ALA 154 Ca -0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2c57 h ALA 154 Cb 1.59 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2c57 h ALA 154 CO 0.01 -0.54 -0.07 1.96 0.00 0.00 0.00 179.25 180.61 2c57 h GLN 155 N -0.45 -0.20 0.00 0.00 4.20 -1.36 -3.30 115.11 114.00 2c57 h GLN 155 Ca -0.03 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2c57 h GLN 155 Cb 0.35 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2c57 h GLN 155 CO 0.04 -0.13 0.00 0.36 -0.67 0.00 0.00 178.83 178.43 2c57 n LYS 156 N -4.54 0.00 -0.07 1.46 2.85 -1.14 0.31 118.16 117.03 2c57 n LYS 156 Ca -0.03 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.19 2c57 n LYS 156 Cb 0.08 -1.18 -0.16 0.00 -0.65 0.00 0.00 35.03 33.13 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 -0.59 0.08 0.00 -5.58 4.13 -1.23 -5.00 115.26 107.07 2c57 n ASN 157 Ca 0.00 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.30 2c57 n ASN 157 Cb 0.00 1.16 0.00 0.00 -1.54 0.00 0.00 39.78 39.40 2c57 n ASN 157 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34