#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a04 n PRO 6 N 0.00 0.60 -1.80 3.49 -0.04 -1.26 -4.94 135.00 131.04 1a04 n PRO 6 Ca 0.00 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.33 1a04 n PRO 6 Cb 0.00 -2.36 0.01 0.00 -0.04 0.00 0.00 33.50 31.11 1a04 n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a04 s ALA 7 N -1.77 3.28 -0.01 0.55 0.00 0.42 -4.70 121.76 119.52 1a04 s ALA 7 Ca 0.76 1.48 -0.17 0.00 0.00 0.00 0.00 51.96 54.03 1a04 s ALA 7 Cb -0.34 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.13 1a04 s ALA 7 CO 0.48 -1.18 0.48 0.95 0.00 0.00 0.00 175.76 176.48 1a04 s THR 8 N -1.19 4.99 -0.06 0.00 -4.23 -1.26 -0.29 115.64 113.60 1a04 s THR 8 Ca 0.60 0.98 0.02 0.00 -1.18 0.00 0.00 61.69 62.12 1a04 s THR 8 Cb -0.44 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 69.61 1a04 s THR 8 CO 0.57 0.50 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.40 1a04 s ILE 9 N -0.57 1.10 -0.15 2.99 1.01 0.72 -1.65 121.20 124.64 1a04 s ILE 9 Ca 0.26 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 1a04 s ILE 9 Cb -0.17 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1a04 s ILE 9 CO 0.14 0.34 -0.07 -0.22 0.00 0.00 0.00 174.94 175.13 1a04 s LEU 10 N 0.53 3.05 -0.25 2.97 2.96 -0.08 0.05 118.68 127.90 1a04 s LEU 10 Ca -0.12 -0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 1a04 s LEU 10 Cb -0.14 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1a04 s LEU 10 CO 0.03 0.16 0.08 -0.76 -1.32 0.00 0.00 176.35 174.55 1a04 s LEU 11 N 0.38 3.51 -0.30 -0.68 1.43 -0.80 -0.47 118.68 121.75 1a04 s LEU 11 Ca -0.07 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1a04 s LEU 11 Cb -0.15 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 44.21 1a04 s LEU 11 CO 0.04 -0.05 -0.02 -0.63 0.23 0.00 0.00 176.35 175.92 1a04 s ILE 12 N 1.62 2.30 0.19 -0.59 1.01 0.22 -0.79 121.20 125.16 1a04 s ILE 12 Ca 0.06 -1.97 -0.23 0.00 0.00 0.00 0.00 60.65 58.51 1a04 s ILE 12 Cb -0.15 -2.52 0.05 0.00 0.01 0.00 0.00 42.46 39.85 1a04 s ILE 12 CO 0.04 -0.32 0.70 1.51 0.00 0.00 0.00 174.94 176.87 1a04 s ASP 13 N 1.04 -0.40 -0.37 3.58 -4.77 -0.70 -1.00 116.67 114.05 1a04 s ASP 13 Ca 0.01 -0.27 0.14 0.00 -3.30 0.00 0.00 52.55 49.13 1a04 s ASP 13 Cb -0.20 0.62 0.39 0.00 -1.09 0.00 0.00 42.92 42.65 1a04 s ASP 13 CO -0.06 -1.08 0.84 -0.67 0.70 0.00 0.00 175.17 174.90 1a04 n ASP 14 N -0.41 1.42 -3.22 2.11 2.03 -1.26 -3.89 116.55 113.33 1a04 n ASP 14 Ca -0.10 -2.96 -0.18 0.00 0.52 0.00 0.00 54.79 52.06 1a04 n ASP 14 Cb 0.62 -0.58 -0.07 0.00 -0.72 0.00 0.00 41.12 40.38 1a04 n ASP 14 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1a04 s HIS 15 N -2.80 -0.03 0.27 -0.67 2.46 -1.26 -4.88 115.29 108.39 1a04 s HIS 15 Ca 0.36 -1.41 -0.02 0.00 0.47 0.00 0.00 55.06 54.45 1a04 s HIS 15 Cb 0.39 -0.45 0.59 0.00 -0.13 0.00 0.00 32.58 32.99 1a04 s HIS 15 CO -0.04 -0.99 1.63 -1.35 -2.47 0.00 0.00 174.74 171.52 1a04 h PRO 16 N 5.93 0.12 -0.34 2.88 0.11 -1.99 -0.85 132.00 137.86 1a04 h PRO 16 Ca 0.15 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 1a04 h PRO 16 Cb 1.01 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1a04 h PRO 16 CO 0.22 0.08 -0.06 1.98 -0.21 0.00 0.00 178.00 180.02 1a04 h MET 17 N 0.13 0.56 -0.05 1.05 4.05 -2.00 -1.70 114.93 116.96 1a04 h MET 17 Ca 0.50 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.76 1a04 h MET 17 Cb 0.95 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.68 1a04 h MET 17 CO -0.71 0.62 -0.04 1.25 0.23 0.00 0.00 176.91 178.26 1a04 h LEU 18 N 0.52 0.13 -1.13 3.39 5.85 -1.61 -3.02 115.31 119.44 1a04 h LEU 18 Ca 0.10 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.40 1a04 h LEU 18 Cb 0.42 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1a04 h LEU 18 CO 0.02 0.56 0.59 -0.09 -0.34 0.00 0.00 178.44 179.19 1a04 h ARG 19 N -0.31 1.09 0.09 1.25 2.43 -1.10 -1.73 114.38 116.10 1a04 h ARG 19 Ca 0.01 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1a04 h ARG 19 Cb 0.52 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1a04 h ARG 19 CO 0.01 0.72 -0.05 1.15 -1.51 0.00 0.00 179.97 180.30 1a04 h THR 20 N 1.12 0.93 -0.61 0.20 2.02 -1.34 0.10 112.91 115.33 1a04 h THR 20 Ca 0.36 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 67.35 1a04 h THR 20 Cb 0.03 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1a04 h THR 20 CO -0.11 0.02 0.03 1.23 0.37 0.00 0.00 175.52 177.06 1a04 h GLY 21 N -0.17 1.14 0.89 2.16 0.00 -1.37 -0.75 103.07 104.97 1a04 h GLY 21 Ca -0.01 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 1a04 h GLY 21 CO 0.02 0.74 0.07 -2.08 0.00 0.00 0.00 176.54 175.29 1a04 h VAL 22 N 0.97 1.22 0.00 4.60 2.07 -1.20 -1.61 116.25 122.31 1a04 h VAL 22 Ca 0.18 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1a04 h VAL 22 Cb 0.52 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1a04 h VAL 22 CO 0.02 0.24 -0.34 0.11 0.02 0.00 0.00 177.57 177.62 1a04 h LYS 23 N 0.31 0.00 -0.23 1.57 1.57 -0.71 -1.10 116.57 117.99 1a04 h LYS 23 Ca 0.09 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 1a04 h LYS 23 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1a04 h LYS 23 CO 0.00 0.34 -0.39 0.37 -0.57 0.00 0.00 179.45 179.21 1a04 h GLN 24 N 0.00 0.67 -0.32 3.15 4.15 -0.89 -2.29 115.11 119.58 1a04 h GLN 24 Ca -0.00 -0.41 -0.14 0.00 0.77 0.00 0.00 58.65 58.86 1a04 h GLN 24 Cb 0.65 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 1a04 h GLN 24 CO 0.04 1.03 -0.36 -0.07 -1.93 0.00 0.00 178.83 177.54 1a04 h LEU 25 N 0.38 0.88 -1.44 -2.39 3.38 -1.07 -3.14 115.31 111.91 1a04 h LEU 25 Ca 0.02 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1a04 h LEU 25 Cb 0.98 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1a04 h LEU 25 CO 0.09 1.18 0.04 0.40 0.09 0.00 0.00 178.44 180.23 1a04 h ILE 26 N 0.59 1.15 0.00 1.22 2.04 -1.22 -1.23 117.51 120.06 1a04 h ILE 26 Ca 0.05 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1a04 h ILE 26 Cb 0.95 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1a04 h ILE 26 CO 0.09 0.19 0.00 -1.54 0.00 0.00 0.00 178.15 176.89 1a04 n SER 27 N -4.35 0.00 0.01 1.72 3.41 -0.86 -2.03 113.62 111.51 1a04 n SER 27 Ca 0.01 -0.24 0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1a04 n SER 27 Cb 0.19 -0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1a04 n SER 27 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1a04 n MET 28 N -1.18 0.37 -3.74 4.33 2.81 -0.47 -4.78 117.12 114.44 1a04 n MET 28 Ca 0.12 -0.07 -0.37 0.00 -1.81 0.00 0.00 57.70 55.57 1a04 n MET 28 Cb 0.13 -1.56 -0.11 0.00 -0.71 0.00 0.00 33.22 30.97 1a04 n MET 28 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a04 s ALA 29 N -3.27 3.21 0.52 3.04 0.00 -0.86 -4.96 121.76 119.44 1a04 s ALA 29 Ca 0.00 -2.58 0.30 0.00 0.00 0.00 0.00 51.96 49.69 1a04 s ALA 29 Cb 0.14 -2.48 1.44 0.00 0.00 0.00 0.00 23.12 22.22 1a04 s ALA 29 CO 0.86 -1.83 1.87 -1.35 0.00 0.00 0.00 175.76 175.31 1a04 h PRO 30 N 8.05 0.05 -0.31 0.00 0.11 -1.86 -2.40 132.00 135.64 1a04 h PRO 30 Ca -0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1a04 h PRO 30 Cb 1.05 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1a04 h PRO 30 CO 0.72 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 1a04 n ASP 31 N -4.30 2.18 -4.08 -2.05 5.75 -1.26 -4.68 116.55 108.12 1a04 n ASP 31 Ca 0.19 -1.87 -0.15 0.00 -0.01 0.00 0.00 54.79 52.95 1a04 n ASP 31 Cb 0.96 -0.20 -0.12 0.00 -1.03 0.00 0.00 41.12 40.72 1a04 n ASP 31 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1a04 s ILE 32 N -1.59 0.70 -0.09 2.12 -4.36 -0.90 -0.43 121.20 116.65 1a04 s ILE 32 Ca 0.32 -0.97 -0.22 0.00 -0.26 0.00 0.00 60.65 59.52 1a04 s ILE 32 Cb 0.17 -0.71 0.05 0.00 1.25 0.00 0.00 42.46 43.22 1a04 s ILE 32 CO 0.24 -0.21 0.52 0.28 0.24 0.00 0.00 174.94 176.01 1a04 s THR 33 N -1.07 0.02 -0.12 8.37 -1.32 0.60 -4.78 115.64 117.33 1a04 s THR 33 Ca -0.05 -0.15 -0.29 0.00 -1.21 0.00 0.00 61.69 59.99 1a04 s THR 33 Cb -0.08 -0.80 -0.01 0.00 -1.51 0.00 0.00 72.50 70.09 1a04 s THR 33 CO 0.01 -0.08 0.98 -0.69 -2.21 0.00 0.00 174.62 172.63 1a04 s VAL 34 N -0.77 4.79 -0.82 5.08 1.01 -1.26 -0.20 120.40 128.23 1a04 s VAL 34 Ca -0.08 1.98 0.12 0.00 0.00 0.00 0.00 61.98 63.99 1a04 s VAL 34 Cb -0.03 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1a04 s VAL 34 CO 0.05 0.00 0.60 1.33 0.00 0.00 0.00 175.10 177.08 1a04 n VAL 35 N 4.61 0.00 -3.52 2.92 0.24 0.11 -4.86 118.33 117.83 1a04 n VAL 35 Ca 0.08 -0.29 -0.08 0.00 -2.04 0.00 0.00 64.34 62.01 1a04 n VAL 35 Cb 0.49 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 1a04 n VAL 35 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1a04 s GLY 36 N -1.86 -0.44 -0.11 7.63 0.00 -1.20 -5.01 107.32 106.33 1a04 s GLY 36 Ca 0.07 1.01 -0.08 0.00 0.00 0.00 0.00 44.72 45.72 1a04 s GLY 36 CO 0.40 0.33 0.28 -0.54 0.00 0.00 0.00 173.10 173.57 1a04 s GLU 37 N -3.08 0.28 0.00 2.90 2.02 -1.26 -1.90 118.70 117.67 1a04 s GLU 37 Ca 0.06 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.53 1a04 s GLU 37 Cb -0.01 0.02 -0.00 0.00 0.10 0.00 0.00 34.13 34.24 1a04 s GLU 37 CO -0.08 -0.10 -0.01 0.00 0.02 0.00 0.00 175.26 175.09 1a04 s ALA 38 N 0.74 0.04 -2.78 5.21 0.00 0.03 -4.97 121.76 120.02 1a04 s ALA 38 Ca -0.05 -0.10 0.24 0.00 0.00 0.00 0.00 51.96 52.06 1a04 s ALA 38 Cb -0.06 0.02 0.39 0.00 0.00 0.00 0.00 23.12 23.46 1a04 s ALA 38 CO -0.05 -0.02 1.37 0.43 0.00 0.00 0.00 175.76 177.50 1a04 n SER 39 N 2.86 2.83 -3.70 0.00 7.64 -1.25 -1.72 113.62 120.28 1a04 n SER 39 Ca -0.14 -1.92 -0.12 0.00 1.01 0.00 0.00 58.87 57.70 1a04 n SER 39 Cb 0.59 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 1a04 n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1a04 s ASN 40 N -1.87 -0.22 0.27 6.43 2.20 -1.26 -4.32 114.94 116.17 1a04 s ASN 40 Ca 0.32 -0.08 -0.02 0.00 -0.94 0.00 0.00 52.86 52.15 1a04 s ASN 40 Cb 0.21 0.40 0.43 0.00 -2.00 0.00 0.00 41.25 40.29 1a04 s ASN 40 CO 0.31 -0.65 1.89 1.23 -2.94 0.00 0.00 177.10 176.94 1a04 h GLY 41 N 3.08 1.49 0.99 0.45 0.00 -1.96 -1.26 103.07 105.86 1a04 h GLY 41 Ca -0.31 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 1a04 h GLY 41 CO 0.44 0.33 0.31 0.83 0.00 0.00 0.00 176.54 178.45 1a04 h GLU 42 N 1.15 0.70 0.40 4.80 3.07 -1.98 0.18 114.58 122.89 1a04 h GLU 42 Ca 0.42 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.20 1a04 h GLU 42 Cb 0.17 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1a04 h GLU 42 CO -0.17 0.51 -0.19 0.37 -1.40 0.00 0.00 179.01 178.14 1a04 h GLN 43 N 0.69 -0.51 -0.76 2.33 4.15 -1.91 -3.12 115.11 115.99 1a04 h GLN 43 Ca 0.18 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.74 1a04 h GLN 43 Cb -0.00 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.75 1a04 h GLN 43 CO -0.03 -0.20 0.50 0.78 -1.93 0.00 0.00 178.83 177.94 1a04 h GLY 44 N -0.86 0.93 1.08 2.39 0.00 -1.07 -2.04 103.07 103.50 1a04 h GLY 44 Ca -0.05 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1a04 h GLY 44 CO 0.09 0.14 0.04 -2.22 0.00 0.00 0.00 176.54 174.60 1a04 h ILE 45 N 0.63 1.27 -0.07 2.60 2.04 -0.67 -0.19 117.51 123.12 1a04 h ILE 45 Ca 0.35 -1.11 -0.19 0.00 1.00 0.00 0.00 64.86 64.92 1a04 h ILE 45 Cb 0.52 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1a04 h ILE 45 CO -0.13 0.41 -0.75 -0.33 0.00 0.00 0.00 178.15 177.35 1a04 h GLU 46 N 1.01 0.39 -0.47 2.37 3.07 -1.38 -2.98 114.58 116.59 1a04 h GLU 46 Ca 0.19 -0.33 -0.12 0.00 -0.50 0.00 0.00 59.36 58.60 1a04 h GLU 46 Cb 0.52 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 1a04 h GLU 46 CO 0.02 0.97 -0.18 -0.07 -1.40 0.00 0.00 179.01 178.36 1a04 h LEU 47 N 0.26 0.93 -0.29 1.33 3.38 -1.21 -2.76 115.31 116.94 1a04 h LEU 47 Ca -0.03 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1a04 h LEU 47 Cb 1.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1a04 h LEU 47 CO 0.13 1.08 0.19 0.00 0.09 0.00 0.00 178.44 179.93 1a04 h ALA 48 N 0.99 0.37 -0.40 1.53 0.00 -1.00 -0.51 119.26 120.24 1a04 h ALA 48 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1a04 h ALA 48 Cb 0.72 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1a04 h ALA 48 CO 0.06 -0.15 -0.11 1.49 0.00 0.00 0.00 179.25 180.54 1a04 h GLU 49 N 0.38 0.70 0.11 0.00 4.81 -1.45 0.22 114.58 119.36 1a04 h GLU 49 Ca 0.11 -0.22 -0.29 0.00 -0.13 0.00 0.00 59.36 58.82 1a04 h GLU 49 Cb -0.02 -0.06 0.03 0.00 0.63 0.00 0.00 28.75 29.32 1a04 h GLU 49 CO -0.02 0.79 -1.23 0.66 -0.73 0.00 0.00 179.01 178.48 1a04 h SER 50 N 0.64 0.85 0.85 1.04 4.64 -1.36 -3.33 113.55 116.88 1a04 h SER 50 Ca 0.11 -0.78 -0.23 0.00 -0.47 0.00 0.00 61.79 60.42 1a04 h SER 50 Cb 0.56 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 1a04 h SER 50 CO 0.03 1.58 -1.16 -0.07 -0.87 0.00 0.00 176.83 176.35 1a04 h LEU 51 N 0.27 0.06 -3.09 5.97 3.38 -1.10 -3.48 115.31 117.33 1a04 h LEU 51 Ca -0.18 -0.08 -0.55 0.00 0.09 0.00 0.00 57.88 57.16 1a04 h LEU 51 Cb 1.90 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.59 1a04 h LEU 51 CO 0.23 1.06 -0.97 -0.67 0.09 0.00 0.00 178.44 178.18 1a04 n ASP 52 N -3.33 -2.74 -4.77 -0.43 2.03 0.78 -4.92 116.55 103.18 1a04 n ASP 52 Ca -0.04 -1.19 -0.31 0.00 0.52 0.00 0.00 54.79 53.76 1a04 n ASP 52 Cb 0.97 -2.24 0.09 0.00 -0.72 0.00 0.00 41.12 39.22 1a04 n ASP 52 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1a04 s PRO 53 N -6.98 2.29 0.38 -0.67 0.04 -1.26 -4.75 135.00 124.05 1a04 s PRO 53 Ca 0.31 1.18 0.10 0.00 0.04 0.00 0.00 61.00 62.63 1a04 s PRO 53 Cb -0.15 -1.90 0.78 0.00 0.04 0.00 0.00 34.50 33.26 1a04 s PRO 53 CO 0.94 -1.62 1.91 -0.44 0.04 0.00 0.00 177.00 177.83 1a04 h ASP 54 N -1.07 0.21 -3.59 6.66 3.32 -1.76 -3.32 116.42 116.86 1a04 h ASP 54 Ca -0.44 -0.04 -0.24 0.00 0.02 0.00 0.00 57.03 56.33 1a04 h ASP 54 Cb 1.23 -0.05 -0.30 0.00 0.22 0.00 0.00 39.33 40.42 1a04 h ASP 54 CO 0.51 0.38 -0.65 -0.22 -1.72 0.00 0.00 179.24 177.55 1a04 s LEU 55 N -8.72 1.25 -0.19 1.55 2.96 -0.66 -0.53 118.68 114.34 1a04 s LEU 55 Ca -0.05 0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1a04 s LEU 55 Cb 0.15 0.20 0.01 0.00 0.50 0.00 0.00 46.19 47.06 1a04 s LEU 55 CO 0.73 -0.09 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.88 1a04 s ILE 56 N 0.65 2.37 -0.33 6.68 1.01 -0.26 -0.90 121.20 130.42 1a04 s ILE 56 Ca -0.05 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 1a04 s ILE 56 Cb -0.07 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 1a04 s ILE 56 CO -0.03 0.51 0.25 -0.76 0.00 0.00 0.00 174.94 174.91 1a04 s LEU 57 N 1.33 4.42 -0.20 2.97 1.43 0.38 -1.31 118.68 127.70 1a04 s LEU 57 Ca 0.05 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1a04 s LEU 57 Cb -0.13 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 1a04 s LEU 57 CO -0.11 -0.22 -0.07 -0.22 0.23 0.00 0.00 176.35 175.96 1a04 s LEU 58 N 1.77 2.81 -0.28 1.79 2.96 -0.25 -0.61 118.68 126.88 1a04 s LEU 58 Ca 0.07 -0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 53.30 1a04 s LEU 58 Cb -0.17 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1a04 s LEU 58 CO 0.11 0.02 1.13 -0.62 -1.32 0.00 0.00 176.35 175.68 1a04 s ASP 59 N 1.20 6.92 0.00 3.68 2.15 -0.18 0.31 116.67 130.76 1a04 s ASP 59 Ca 0.02 1.23 0.25 0.00 0.43 0.00 0.00 52.55 54.48 1a04 s ASP 59 Cb -0.14 -2.54 1.00 0.00 -0.30 0.00 0.00 42.92 40.93 1a04 s ASP 59 CO -0.02 -0.86 1.70 0.18 -0.17 0.00 0.00 175.17 176.00 1a04 n LEU 60 N 6.87 1.37 -0.98 -1.34 4.77 -0.07 -4.07 117.00 123.57 1a04 n LEU 60 Ca 0.13 -0.51 0.05 0.00 -0.03 0.00 0.00 56.01 55.65 1a04 n LEU 60 Cb 0.46 -0.04 0.25 0.00 -2.33 0.00 0.00 43.42 41.76 1a04 n LEU 60 CO 0.58 0.26 0.72 0.59 -1.33 0.00 0.00 177.39 178.21 1a04 n ASN 61 N 0.09 3.62 -4.81 -1.43 5.03 -1.26 -3.74 115.26 112.76 1a04 n ASN 61 Ca 0.18 -3.18 -0.31 0.00 0.87 0.00 0.00 54.58 52.14 1a04 n ASN 61 Cb 0.31 -0.57 0.06 0.00 -1.02 0.00 0.00 39.78 38.56 1a04 n ASN 61 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1a04 s MET 62 N -2.92 2.84 -0.09 3.52 -1.94 -1.26 -4.93 119.30 114.52 1a04 s MET 62 Ca 0.43 1.00 -0.39 0.00 -1.71 0.00 0.00 55.69 55.02 1a04 s MET 62 Cb 0.36 -1.98 -0.17 0.00 2.01 0.00 0.00 34.83 35.06 1a04 s MET 62 CO 0.07 -1.18 1.50 -2.30 -0.01 0.00 0.00 175.02 173.11 1a04 n PRO 63 N -3.15 1.03 0.00 2.03 -0.02 -1.26 -3.46 135.00 130.17 1a04 n PRO 63 Ca 0.08 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1a04 n PRO 63 Cb 0.53 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1a04 n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a04 n GLY 64 N 3.20 1.37 3.81 -1.23 0.00 -1.26 -4.80 105.19 106.28 1a04 n GLY 64 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1a04 n GLY 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a04 n MET 65 N 0.00 -5.27 -2.69 1.61 2.81 -1.22 -4.88 117.12 107.47 1a04 n MET 65 Ca 0.00 0.60 -0.10 0.00 -1.81 0.00 0.00 57.70 56.40 1a04 n MET 65 Cb 0.00 -5.48 0.03 0.00 -0.71 0.00 0.00 33.22 27.06 1a04 n MET 65 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1a04 n ASN 66 N -2.75 1.44 -0.18 7.83 6.94 -1.26 -4.93 115.26 122.35 1a04 n ASN 66 Ca 0.03 -2.74 -0.09 0.00 -0.02 0.00 0.00 54.58 51.76 1a04 n ASN 66 Cb 0.53 -0.53 0.01 0.00 -2.36 0.00 0.00 39.78 37.43 1a04 n ASN 66 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1a04 h GLY 67 N 3.00 0.93 1.18 4.83 0.00 -1.89 -2.46 103.07 108.66 1a04 h GLY 67 Ca -0.09 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 1a04 h GLY 67 CO 0.50 0.57 0.30 -2.00 0.00 0.00 0.00 176.54 175.92 1a04 h LEU 68 N 0.74 0.96 -0.94 3.11 5.85 -1.92 -0.18 115.31 122.93 1a04 h LEU 68 Ca 0.16 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1a04 h LEU 68 Cb 0.41 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1a04 h LEU 68 CO 0.01 0.84 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.86 1a04 h GLU 69 N 1.03 0.75 -0.16 1.25 4.81 -1.92 0.53 114.58 120.87 1a04 h GLU 69 Ca 0.24 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 1a04 h GLU 69 Cb 0.17 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1a04 h GLU 69 CO -0.02 0.77 -0.58 1.15 -0.73 0.00 0.00 179.01 179.60 1a04 h THR 70 N 0.70 1.33 -0.59 0.32 2.02 -0.94 -1.30 112.91 114.46 1a04 h THR 70 Ca 0.14 -1.86 -0.05 0.00 0.77 0.00 0.00 66.41 65.41 1a04 h THR 70 Cb 0.46 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1a04 h THR 70 CO 0.02 0.57 0.18 0.25 0.37 0.00 0.00 175.52 176.91 1a04 h LEU 71 N 0.39 0.86 -0.06 2.58 5.85 -0.42 -0.76 115.31 123.76 1a04 h LEU 71 Ca 0.00 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1a04 h LEU 71 Cb 1.13 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1a04 h LEU 71 CO 0.11 0.84 -0.01 0.44 -0.34 0.00 0.00 178.44 179.48 1a04 h ASP 72 N 0.83 -0.05 -0.60 1.25 3.32 -0.69 0.72 116.42 121.20 1a04 h ASP 72 Ca 0.19 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1a04 h ASP 72 Cb 0.29 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1a04 h ASP 72 CO -0.00 -0.02 0.09 0.11 -1.72 0.00 0.00 179.24 177.70 1a04 h LYS 73 N 0.00 1.03 0.21 3.56 1.57 -1.11 -1.37 116.57 120.46 1a04 h LYS 73 Ca 0.03 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1a04 h LYS 73 Cb 0.04 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1a04 h LYS 73 CO -0.06 0.95 -0.10 1.25 -0.57 0.00 0.00 179.45 180.92 1a04 h LEU 74 N 0.96 -0.24 -2.41 2.94 5.85 -0.87 -2.60 115.31 118.94 1a04 h LEU 74 Ca 0.19 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1a04 h LEU 74 Cb 0.43 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1a04 h LEU 74 CO 0.01 -0.11 0.07 -0.09 -0.34 0.00 0.00 178.44 177.98 1a04 h ARG 75 N -0.35 0.00 0.00 1.25 9.65 -0.63 -0.13 114.38 124.17 1a04 h ARG 75 Ca -0.03 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 1a04 h ARG 75 Cb 0.27 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1a04 h ARG 75 CO 0.05 0.00 -0.17 0.93 2.80 0.00 0.00 179.97 183.58 1a04 h GLU 76 N 0.00 0.00 -7.27 0.20 5.08 -0.84 -3.45 114.58 108.30 1a04 h GLU 76 Ca 0.03 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.87 1a04 h GLU 76 Cb 0.17 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.55 1a04 h GLU 76 CO -0.00 0.17 0.34 0.15 -1.00 0.00 0.00 179.01 178.67 1a04 s LYS 77 N -3.77 2.40 -0.56 2.33 -0.14 -0.06 -4.97 119.74 114.97 1a04 s LYS 77 Ca -0.00 1.29 -0.25 0.00 -1.36 0.00 0.00 55.97 55.64 1a04 s LYS 77 Cb 0.11 -1.91 0.04 0.00 -1.68 0.00 0.00 37.83 34.39 1a04 s LYS 77 CO 0.61 -1.55 1.01 0.45 -0.76 0.00 0.00 175.35 175.11 1a04 s SER 78 N -3.02 6.37 0.04 2.83 0.15 -1.26 -5.00 113.70 113.81 1a04 s SER 78 Ca 0.64 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 57.11 1a04 s SER 78 Cb -0.19 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.63 1a04 s SER 78 CO 0.50 -1.30 -0.11 -0.76 1.20 0.00 0.00 173.24 172.78 1a04 s LEU 79 N 4.23 2.19 -0.01 3.45 1.43 -1.26 -4.82 118.68 123.89 1a04 s LEU 79 Ca 0.34 -0.46 0.15 0.00 -1.03 0.00 0.00 54.13 53.13 1a04 s LEU 79 Cb -0.11 -0.40 -0.20 0.00 0.03 0.00 0.00 46.19 45.51 1a04 s LEU 79 CO 0.21 -0.06 0.44 -1.54 0.23 0.00 0.00 176.35 175.64 1a04 n SER 80 N 1.82 1.23 -2.66 2.29 3.41 -1.26 -4.64 113.62 113.80 1a04 n SER 80 Ca -0.19 -0.33 -0.08 0.00 -0.26 0.00 0.00 58.87 58.00 1a04 n SER 80 Cb 0.55 1.41 0.05 0.00 -0.26 0.00 0.00 64.21 65.97 1a04 n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a04 n GLY 81 N 1.53 -0.49 3.91 5.00 0.00 -1.25 -4.95 105.19 108.94 1a04 n GLY 81 Ca -0.01 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 1a04 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a04 s ARG 82 N -3.64 3.57 -0.12 1.61 0.52 0.31 -4.78 118.95 116.43 1a04 s ARG 82 Ca 0.22 -0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 1a04 s ARG 82 Cb -0.01 -2.86 0.02 0.00 0.52 0.00 0.00 34.95 32.61 1a04 s ARG 82 CO 0.15 0.46 -0.16 0.42 0.02 0.00 0.00 175.30 176.19 1a04 s ILE 83 N -1.70 1.62 -0.12 1.52 1.01 -1.26 -1.10 121.20 121.17 1a04 s ILE 83 Ca 0.40 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1a04 s ILE 83 Cb -0.12 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.89 1a04 s ILE 83 CO 0.26 0.47 -0.16 -0.69 0.00 0.00 0.00 174.94 174.82 1a04 s VAL 84 N 1.07 1.60 0.10 2.92 1.01 -0.43 0.50 120.40 127.17 1a04 s VAL 84 Ca -0.04 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1a04 s VAL 84 Cb -0.14 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1a04 s VAL 84 CO -0.04 0.46 0.33 0.68 0.00 0.00 0.00 175.10 176.54 1a04 s VAL 85 N 1.08 5.22 -0.10 2.92 -7.23 -0.69 -1.08 120.40 120.51 1a04 s VAL 85 Ca -0.04 0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.15 1a04 s VAL 85 Cb -0.14 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 1a04 s VAL 85 CO -0.04 0.13 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.46 1a04 s PHE 86 N -1.55 2.96 -0.01 2.82 0.08 0.15 -0.26 117.98 122.18 1a04 s PHE 86 Ca 0.37 -0.14 -0.21 0.00 0.12 0.00 0.00 56.93 57.07 1a04 s PHE 86 Cb -0.13 -1.81 0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1a04 s PHE 86 CO 0.23 0.17 0.47 0.45 -0.10 0.00 0.00 175.22 176.43 1a04 s SER 87 N -0.32 -0.38 0.00 1.36 0.15 -0.67 -0.89 113.70 112.95 1a04 s SER 87 Ca 0.05 0.27 0.25 0.00 0.70 0.00 0.00 55.95 57.22 1a04 s SER 87 Cb -0.12 0.42 0.54 0.00 -1.71 0.00 0.00 66.02 65.15 1a04 s SER 87 CO 0.02 -0.57 1.43 1.33 1.20 0.00 0.00 173.24 176.66 1a04 n VAL 88 N 0.91 0.00 -2.18 4.45 0.24 -1.26 -3.14 118.33 117.36 1a04 n VAL 88 Ca -0.20 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.34 61.60 1a04 n VAL 88 Cb 0.58 0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 33.37 1a04 n VAL 88 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1a04 s SER 89 N -2.71 6.83 0.00 -1.34 0.15 -1.26 -4.90 113.70 110.47 1a04 s SER 89 Ca 0.18 2.27 0.23 0.00 0.70 0.00 0.00 55.95 59.34 1a04 s SER 89 Cb 0.18 -2.58 0.46 0.00 -1.71 0.00 0.00 66.02 62.37 1a04 s SER 89 CO 0.61 -0.68 1.42 0.59 1.20 0.00 0.00 173.24 176.38 1a04 n ASN 90 N 4.38 3.35 -4.67 5.45 4.13 -1.26 -4.92 115.26 121.72 1a04 n ASN 90 Ca 0.12 -1.98 -0.42 0.00 1.68 0.00 0.00 54.58 53.98 1a04 n ASN 90 Cb 0.43 -0.25 -0.03 0.00 -1.54 0.00 0.00 39.78 38.39 1a04 n ASN 90 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1a04 s HIS 91 N -1.51 2.04 0.32 3.10 3.76 -1.26 -4.85 115.29 116.90 1a04 s HIS 91 Ca 0.39 0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.43 1a04 s HIS 91 Cb 0.23 -4.00 0.54 0.00 1.11 0.00 0.00 32.58 30.46 1a04 s HIS 91 CO 0.31 -4.17 1.98 1.49 -0.85 0.00 0.00 174.74 173.50 1a04 h GLU 92 N 9.20 0.96 0.00 1.40 4.81 -2.03 -1.85 114.58 127.07 1a04 h GLU 92 Ca -0.43 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1a04 h GLU 92 Cb 1.20 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1a04 h GLU 92 CO 0.94 0.64 0.00 1.49 -0.73 0.00 0.00 179.01 181.35 1a04 h GLU 93 N 0.99 0.00 -0.06 1.92 4.57 -2.00 -2.68 114.58 117.32 1a04 h GLU 93 Ca 0.28 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.34 1a04 h GLU 93 Cb -0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1a04 h GLU 93 CO -0.07 0.00 -0.51 -0.44 -1.18 0.00 0.00 179.01 176.81 1a04 h ASP 94 N 0.00 0.16 -0.28 1.04 3.32 -1.71 -0.49 116.42 118.46 1a04 h ASP 94 Ca 0.00 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1a04 h ASP 94 Cb 0.36 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1a04 h ASP 94 CO 0.00 0.65 0.03 0.58 -1.72 0.00 0.00 179.24 178.78 1a04 h VAL 95 N 0.12 1.24 -0.77 -1.35 2.07 -1.57 -1.67 116.25 114.31 1a04 h VAL 95 Ca 0.00 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1a04 h VAL 95 Cb 0.95 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1a04 h VAL 95 CO 0.07 0.27 0.34 0.58 0.02 0.00 0.00 177.57 178.85 1a04 h VAL 96 N 0.28 1.25 -0.46 2.57 2.07 -1.54 -1.75 116.25 118.67 1a04 h VAL 96 Ca 0.08 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1a04 h VAL 96 Cb 0.36 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1a04 h VAL 96 CO 0.01 0.31 -0.01 0.74 0.02 0.00 0.00 177.57 178.64 1a04 h THR 97 N 1.10 1.26 -0.27 2.57 2.02 -0.97 -0.78 112.91 117.85 1a04 h THR 97 Ca 0.26 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1a04 h THR 97 Cb 0.16 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1a04 h THR 97 CO -0.03 0.37 0.16 0.00 0.37 0.00 0.00 175.52 176.39 1a04 h ALA 98 N 0.91 0.34 -0.28 6.16 0.00 -1.00 0.42 119.26 125.80 1a04 h ALA 98 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a04 h ALA 98 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1a04 h ALA 98 CO 0.03 -0.15 0.16 -0.07 0.00 0.00 0.00 179.25 179.22 1a04 h LEU 99 N 0.33 0.34 -1.87 0.00 3.38 -1.27 -1.34 115.31 114.88 1a04 h LEU 99 Ca 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1a04 h LEU 99 Cb 0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1a04 h LEU 99 CO -0.02 0.31 -0.07 0.11 0.09 0.00 0.00 178.44 178.86 1a04 h LYS 100 N 0.35 0.00 -0.08 1.13 1.57 -0.81 -2.31 116.57 116.42 1a04 h LYS 100 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1a04 h LYS 100 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1a04 h LYS 100 CO -0.02 0.07 0.00 0.54 -0.57 0.00 0.00 179.45 179.47 1a04 n ARG 101 N -4.43 1.68 0.00 3.15 5.12 0.11 -4.94 116.66 117.35 1a04 n ARG 101 Ca -0.03 -1.00 0.00 0.00 -1.93 0.00 0.00 57.85 54.89 1a04 n ARG 101 Cb 0.15 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 1a04 n ARG 101 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1a04 n GLY 102 N 1.15 1.01 3.83 -0.13 0.00 -0.87 -4.69 105.19 105.49 1a04 n GLY 102 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1a04 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a04 s ALA 103 N -2.00 3.49 -0.41 4.61 0.00 -0.59 -4.74 121.76 122.13 1a04 s ALA 103 Ca 0.00 0.02 0.23 0.00 0.00 0.00 0.00 51.96 52.21 1a04 s ALA 103 Cb 0.00 -2.67 0.16 0.00 0.00 0.00 0.00 23.12 20.61 1a04 s ALA 103 CO 0.00 0.39 1.21 -0.44 0.00 0.00 0.00 175.76 176.92 1a04 h ASP 104 N 3.49 0.00 -5.08 0.00 3.32 -0.29 -3.38 116.42 114.49 1a04 h ASP 104 Ca -0.48 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.52 1a04 h ASP 104 Cb 1.19 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.68 1a04 h ASP 104 CO 0.65 0.04 0.12 -0.83 -1.72 0.00 0.00 179.24 177.51 1a04 s GLY 105 N -4.08 0.11 -0.13 2.75 0.00 -1.04 -4.97 107.32 99.96 1a04 s GLY 105 Ca 0.03 -0.49 -0.06 0.00 0.00 0.00 0.00 44.72 44.20 1a04 s GLY 105 CO 0.75 -0.26 0.28 -0.47 0.00 0.00 0.00 173.10 173.41 1a04 s TYR 106 N -3.94 -0.42 0.06 1.90 6.14 -1.26 -1.70 117.35 118.13 1a04 s TYR 106 Ca 0.15 0.95 0.07 0.00 0.64 0.00 0.00 57.07 58.88 1a04 s TYR 106 Cb -0.04 0.07 -0.03 0.00 0.42 0.00 0.00 41.96 42.37 1a04 s TYR 106 CO 0.08 -0.30 -0.19 -0.51 0.64 0.00 0.00 175.55 175.26 1a04 s LEU 107 N 1.71 2.22 0.55 6.97 1.43 0.64 -4.95 118.68 127.25 1a04 s LEU 107 Ca -0.06 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.39 1a04 s LEU 107 Cb -0.11 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 1a04 s LEU 107 CO -0.09 0.09 0.91 -0.76 0.23 0.00 0.00 176.35 176.73 1a04 s LEU 108 N -1.44 3.43 0.00 1.79 1.43 -1.26 -1.67 118.68 120.96 1a04 s LEU 108 Ca 0.06 1.18 0.29 0.00 -1.03 0.00 0.00 54.13 54.63 1a04 s LEU 108 Cb -0.09 -4.18 1.26 0.00 0.03 0.00 0.00 46.19 43.21 1a04 s LEU 108 CO 0.03 -0.72 1.86 0.29 0.23 0.00 0.00 176.35 178.04 1a04 n LYS 109 N -2.49 1.34 -0.86 1.70 5.02 -1.19 -4.13 118.16 117.56 1a04 n LYS 109 Ca 0.03 -0.62 -0.07 0.00 -2.02 0.00 0.00 58.31 55.64 1a04 n LYS 109 Cb 0.55 -1.49 0.21 0.00 -0.02 0.00 0.00 35.03 34.28 1a04 n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1a04 n ASP 110 N -0.29 3.08 -4.79 4.39 5.75 -1.26 -5.04 116.55 118.39 1a04 n ASP 110 Ca 0.19 -3.61 -0.34 0.00 -0.01 0.00 0.00 54.79 51.03 1a04 n ASP 110 Cb 0.29 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 39.69 1a04 n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1a04 s MET 111 N -3.19 3.55 0.33 0.11 -1.94 -1.26 -5.00 119.30 111.91 1a04 s MET 111 Ca 0.48 1.36 -0.29 0.00 -1.71 0.00 0.00 55.69 55.53 1a04 s MET 111 Cb 0.42 -2.06 -0.10 0.00 2.01 0.00 0.00 34.83 35.10 1a04 s MET 111 CO 0.04 -0.64 1.27 -1.21 -0.01 0.00 0.00 175.02 174.47 1a04 s GLU 112 N -3.52 4.36 0.28 2.03 0.41 -1.26 -4.79 118.70 116.21 1a04 s GLU 112 Ca 0.67 2.14 -0.03 0.00 -0.41 0.00 0.00 54.97 57.35 1a04 s GLU 112 Cb -0.18 -3.06 0.60 0.00 -1.78 0.00 0.00 34.13 29.71 1a04 s GLU 112 CO 0.27 -0.15 1.61 -1.35 -0.49 0.00 0.00 175.26 175.14 1a04 h PRO 113 N 3.37 0.07 -0.25 0.39 0.11 -1.98 0.62 132.00 134.33 1a04 h PRO 113 Ca -0.49 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1a04 h PRO 113 Cb 1.23 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1a04 h PRO 113 CO 0.65 0.04 -0.32 0.93 -0.21 0.00 0.00 178.00 179.10 1a04 h GLU 114 N 0.07 0.53 -0.21 1.05 5.08 -1.99 -0.85 114.58 118.26 1a04 h GLU 114 Ca 0.51 -0.23 -0.20 0.00 -1.00 0.00 0.00 59.36 58.44 1a04 h GLU 114 Cb 0.97 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1a04 h GLU 114 CO -0.79 0.79 -0.65 -0.44 -1.00 0.00 0.00 179.01 176.91 1a04 h ASP 115 N 0.45 0.89 -0.33 1.42 3.32 -1.55 -2.54 116.42 118.09 1a04 h ASP 115 Ca 0.05 -0.53 -0.11 0.00 0.02 0.00 0.00 57.03 56.47 1a04 h ASP 115 Cb 0.78 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1a04 h ASP 115 CO 0.06 1.31 -0.19 0.25 -1.72 0.00 0.00 179.24 178.96 1a04 h LEU 116 N 0.57 0.80 -0.49 1.55 5.85 -0.77 -2.21 115.31 120.62 1a04 h LEU 116 Ca -0.02 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 1a04 h LEU 116 Cb 1.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1a04 h LEU 116 CO 0.14 0.98 0.08 0.25 -0.34 0.00 0.00 178.44 179.55 1a04 h LEU 117 N 0.70 0.78 -0.46 2.25 5.85 -1.12 -0.49 115.31 122.82 1a04 h LEU 117 Ca 0.10 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1a04 h LEU 117 Cb 0.70 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1a04 h LEU 117 CO 0.05 0.84 0.27 0.11 -0.34 0.00 0.00 178.44 179.37 1a04 h LYS 118 N 0.69 0.64 -0.66 1.25 1.57 -1.36 -0.64 116.57 118.05 1a04 h LYS 118 Ca 0.15 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1a04 h LYS 118 Cb 0.39 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1a04 h LYS 118 CO 0.01 0.49 0.18 0.00 -0.57 0.00 0.00 179.45 179.55 1a04 h ALA 119 N 1.11 0.87 -0.26 3.86 0.00 -1.19 -0.99 119.26 122.66 1a04 h ALA 119 Ca 0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1a04 h ALA 119 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1a04 h ALA 119 CO -0.03 0.57 -0.06 -0.07 0.00 0.00 0.00 179.25 179.67 1a04 h LEU 120 N 0.98 0.49 -0.66 0.00 4.07 -0.85 -0.98 115.31 118.36 1a04 h LEU 120 Ca 0.21 -0.36 -0.05 0.00 0.08 0.00 0.00 57.88 57.75 1a04 h LEU 120 Cb 0.34 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 1a04 h LEU 120 CO -0.00 0.74 0.20 -0.74 -1.08 0.00 0.00 178.44 177.56 1a04 h HIS 121 N 0.24 1.07 -0.29 1.13 2.76 -1.06 -1.10 115.15 117.90 1a04 h HIS 121 Ca 0.07 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 1a04 h HIS 121 Cb 0.53 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1a04 h HIS 121 CO 0.05 0.86 0.07 0.37 -1.30 0.00 0.00 177.93 177.98 1a04 h GLN 122 N 0.96 0.46 -0.70 5.26 4.15 -1.11 0.20 115.11 124.33 1a04 h GLN 122 Ca 0.21 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 1a04 h GLN 122 Cb 0.30 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 1a04 h GLN 122 CO -0.01 0.55 0.18 0.00 -1.93 0.00 0.00 178.83 177.62 1a04 h ALA 123 N 0.90 1.00 0.14 3.38 0.00 -0.99 -0.46 119.26 123.23 1a04 h ALA 123 Ca 0.09 -0.24 -0.35 0.00 0.00 0.00 0.00 54.91 54.41 1a04 h ALA 123 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1a04 h ALA 123 CO 0.00 0.65 -1.86 0.00 0.00 0.00 0.00 179.25 178.04 1a04 h ALA 124 N 1.14 0.33 0.00 0.00 0.00 -1.18 -3.43 119.26 116.12 1a04 h ALA 124 Ca 0.22 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1a04 h ALA 124 Cb 0.35 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1a04 h ALA 124 CO -0.00 1.20 0.00 0.00 0.00 0.00 0.00 179.25 180.45 1a04 n ALA 125 N -2.90 1.60 -4.33 0.00 0.00 0.63 -4.79 120.51 110.72 1a04 n ALA 125 Ca -0.27 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.43 1a04 n ALA 125 Cb 1.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.48 1a04 n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a04 n GLY 126 N -0.17 3.91 3.66 0.00 0.00 -0.18 -4.83 105.19 107.58 1a04 n GLY 126 Ca 0.00 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 1a04 n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a04 s GLU 127 N -2.82 4.27 -0.21 1.61 2.02 -1.26 -3.86 118.70 118.46 1a04 s GLU 127 Ca 0.00 1.12 0.00 0.00 0.02 0.00 0.00 54.97 56.11 1a04 s GLU 127 Cb -0.00 -3.61 0.05 0.00 0.10 0.00 0.00 34.13 30.68 1a04 s GLU 127 CO 0.00 -0.45 -0.06 1.41 0.02 0.00 0.00 175.26 176.18 1a04 s MET 128 N 2.57 1.65 0.07 1.61 1.75 0.31 -4.94 119.30 122.32 1a04 s MET 128 Ca 0.40 -0.84 0.09 0.00 -1.25 0.00 0.00 55.69 54.09 1a04 s MET 128 Cb -0.16 -2.42 -0.03 0.00 2.84 0.00 0.00 34.83 35.06 1a04 s MET 128 CO 0.10 -0.53 -0.25 0.14 -0.65 0.00 0.00 175.02 173.84 1a04 s VAL 129 N 1.46 2.01 0.33 10.11 -7.23 -1.26 -4.33 120.40 121.49 1a04 s VAL 129 Ca -0.03 -1.44 -0.28 0.00 -1.81 0.00 0.00 61.98 58.42 1a04 s VAL 129 Cb -0.17 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 1a04 s VAL 129 CO -0.07 0.22 1.12 -0.22 -0.31 0.00 0.00 175.10 175.85 1a04 s LEU 130 N -1.48 4.40 0.65 1.32 2.96 -1.26 -4.99 118.68 120.28 1a04 s LEU 130 Ca 0.11 2.29 -0.18 0.00 -0.22 0.00 0.00 54.13 56.13 1a04 s LEU 130 Cb -0.10 -3.80 -0.02 0.00 0.50 0.00 0.00 46.19 42.77 1a04 s LEU 130 CO 0.03 -0.34 1.13 -1.54 -1.32 0.00 0.00 176.35 174.30 1a04 n SER 131 N 0.72 1.34 0.25 3.68 3.41 -1.26 -4.80 113.62 116.96 1a04 n SER 131 Ca 0.01 0.79 0.08 0.00 -0.26 0.00 0.00 58.87 59.49 1a04 n SER 131 Cb 0.46 -1.47 0.61 0.00 -0.26 0.00 0.00 64.21 63.55 1a04 n SER 131 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1a04 h GLU 132 N 0.35 0.00 -0.12 4.33 4.39 -2.00 -1.47 114.58 120.07 1a04 h GLU 132 Ca -0.49 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 1a04 h GLU 132 Cb 1.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 1a04 h GLU 132 CO 0.51 0.07 0.05 0.00 -1.16 0.00 0.00 179.01 178.48 1a04 h ALA 133 N 1.93 0.15 0.00 3.43 0.00 -2.03 -3.14 119.26 119.59 1a04 h ALA 133 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a04 h ALA 133 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a04 h ALA 133 CO 0.01 -0.27 -0.48 1.28 0.00 0.00 0.00 179.25 179.79 1a04 n LEU 134 N -4.92 0.73 0.12 0.00 7.99 -1.08 -4.39 117.00 115.45 1a04 n LEU 134 Ca -0.05 0.31 -0.14 0.00 -0.01 0.00 0.00 56.01 56.11 1a04 n LEU 134 Cb 0.10 -0.21 -0.07 0.00 -0.11 0.00 0.00 43.42 43.12 1a04 n LEU 134 CO 0.34 -0.08 0.58 0.74 -1.51 0.00 0.00 177.39 177.46 1a04 h THR 135 N 0.00 0.15 -0.44 -5.08 2.02 -1.22 -2.08 112.91 106.26 1a04 h THR 135 Ca 0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1a04 h THR 135 Cb 0.74 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1a04 h THR 135 CO 0.00 0.00 0.33 1.55 0.37 0.00 0.00 175.52 177.77 1a04 h PRO 136 N -0.66 0.00 -0.14 6.66 0.13 -1.77 -1.34 132.00 134.89 1a04 h PRO 136 Ca 0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.08 1a04 h PRO 136 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1a04 h PRO 136 CO -0.24 0.00 -0.18 0.28 -0.23 0.00 0.00 178.00 177.62 1a04 h VAL 137 N 0.00 1.36 -0.02 1.56 2.07 -1.64 -2.58 116.25 117.00 1a04 h VAL 137 Ca 0.21 -1.39 -0.16 0.00 0.82 0.00 0.00 66.70 66.17 1a04 h VAL 137 Cb 0.86 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1a04 h VAL 137 CO -0.00 0.41 -0.73 -0.07 0.02 0.00 0.00 177.57 177.20 1a04 h LEU 138 N -0.03 0.14 0.02 2.57 3.38 -0.86 -2.96 115.31 117.57 1a04 h LEU 138 Ca 0.02 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1a04 h LEU 138 Cb 0.74 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1a04 h LEU 138 CO 0.04 0.82 -0.20 0.00 0.09 0.00 0.00 178.44 179.19 1a04 h ALA 139 N 1.18 -0.26 -0.94 1.53 0.00 -1.26 -1.79 119.26 117.71 1a04 h ALA 139 Ca -0.02 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1a04 h ALA 139 Cb 1.29 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 1a04 h ALA 139 CO 0.10 -0.70 0.61 0.00 0.00 0.00 0.00 179.25 179.27 1a04 h ALA 140 N 0.55 1.44 -0.31 0.00 0.00 -1.45 -1.27 119.26 118.23 1a04 h ALA 140 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1a04 h ALA 140 Cb 0.39 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1a04 h ALA 140 CO -0.17 0.43 0.17 1.03 0.00 0.00 0.00 179.25 180.71 1a04 h SER 141 N 1.12 0.37 -3.72 0.00 0.87 -1.22 -3.52 113.55 107.46 1a04 h SER 141 Ca 0.39 -0.02 -0.44 0.00 -1.23 0.00 0.00 61.79 60.49 1a04 h SER 141 Cb 0.12 -0.09 0.17 0.00 -0.44 0.00 0.00 62.40 62.16 1a04 h SER 141 CO -0.14 0.31 0.15 -0.76 -0.53 0.00 0.00 176.83 175.86 1a04 s LEU 142 N -9.32 1.31 0.00 2.23 1.43 -0.48 -5.11 118.68 108.73 1a04 s LEU 142 Ca -0.07 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1a04 s LEU 142 Cb 0.17 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 43.13 1a04 s LEU 142 CO 0.72 -3.46 0.00 1.21 0.23 0.00 0.00 176.35 175.06 1a04 n GLU 150 N -4.39 0.00 -1.50 1.70 2.13 -1.26 -5.00 120.64 112.33 1a04 n GLU 150 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1a04 n GLU 150 Cb 0.57 -0.03 0.00 0.00 0.27 0.00 0.00 31.44 32.25 1a04 n GLU 150 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1a04 n ARG 151 N -0.51 0.00 -3.42 5.31 0.63 -1.26 -5.05 116.66 112.36 1a04 n ARG 151 Ca 0.00 0.31 -0.39 0.00 -0.92 0.00 0.00 57.85 56.85 1a04 n ARG 151 Cb 0.41 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.73 1a04 n ARG 151 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1a04 s ASP 152 N -2.37 6.22 0.00 6.15 2.15 -1.26 -4.96 116.67 122.59 1a04 s ASP 152 Ca 0.00 0.23 0.12 0.00 0.43 0.00 0.00 52.55 53.33 1a04 s ASP 152 Cb 0.00 -2.20 0.52 0.00 -0.30 0.00 0.00 42.92 40.94 1a04 s ASP 152 CO 0.00 -0.17 1.35 0.55 -0.17 0.00 0.00 175.17 176.73 1a04 n VAL 153 N 5.11 1.10 1.51 1.11 3.14 -1.26 -1.75 118.33 127.30 1a04 n VAL 153 Ca -0.09 0.28 0.14 0.00 -2.96 0.00 0.00 64.34 61.70 1a04 n VAL 153 Cb 0.51 -1.08 0.54 0.00 -1.06 0.00 0.00 33.84 32.75 1a04 n VAL 153 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1a04 n ASN 154 N -1.46 1.35 0.04 6.55 3.02 -1.26 -3.22 115.26 120.29 1a04 n ASN 154 Ca 0.03 -1.48 0.13 0.00 -0.03 0.00 0.00 54.58 53.23 1a04 n ASN 154 Cb 0.13 -0.02 0.32 0.00 -0.61 0.00 0.00 39.78 39.60 1a04 n ASN 154 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a04 n GLN 155 N 0.06 0.16 -3.07 3.52 1.13 -0.72 -4.87 117.38 113.59 1a04 n GLN 155 Ca 0.19 0.07 -0.35 0.00 -1.94 0.00 0.00 57.00 54.97 1a04 n GLN 155 Cb 0.32 -1.63 -0.06 0.00 0.11 0.00 0.00 30.24 28.98 1a04 n GLN 155 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1a04 s LEU 156 N -3.74 4.25 0.67 1.08 1.43 -1.20 -5.08 118.68 116.09 1a04 s LEU 156 Ca 0.10 1.42 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 1a04 s LEU 156 Cb 0.15 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 1a04 s LEU 156 CO 0.66 -0.06 1.07 0.42 0.23 0.00 0.00 176.35 178.67 1a04 s THR 157 N -1.68 4.00 0.24 5.49 -4.23 -1.26 -4.82 115.64 113.38 1a04 s THR 157 Ca 0.47 0.65 -0.04 0.00 -1.18 0.00 0.00 61.69 61.59 1a04 s THR 157 Cb -0.15 -3.64 0.22 0.00 1.34 0.00 0.00 72.50 70.27 1a04 s THR 157 CO 0.20 -0.85 1.72 -0.65 -0.54 0.00 0.00 174.62 174.50 1a04 h PRO 158 N -0.52 0.37 -0.69 3.99 0.11 -1.98 -0.55 132.00 132.73 1a04 h PRO 158 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1a04 h PRO 158 Cb 1.23 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1a04 h PRO 158 CO 0.63 0.25 0.16 -0.09 -0.21 0.00 0.00 178.00 178.74 1a04 h ARG 159 N 0.38 1.10 -0.24 1.05 2.43 -1.99 -0.79 114.38 116.33 1a04 h ARG 159 Ca 0.41 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1a04 h ARG 159 Cb 0.65 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1a04 h ARG 159 CO -0.43 0.97 -0.16 0.93 -1.51 0.00 0.00 179.97 179.77 1a04 h GLU 160 N 1.05 0.41 -0.26 0.20 5.08 -1.57 -0.13 114.58 119.36 1a04 h GLU 160 Ca 0.22 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1a04 h GLU 160 Cb 0.37 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1a04 h GLU 160 CO 0.00 0.56 -0.25 0.00 -1.00 0.00 0.00 179.01 178.32 1a04 h ARG 161 N 0.38 0.62 -0.84 2.33 3.08 -0.77 0.14 114.38 119.31 1a04 h ARG 161 Ca 0.07 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1a04 h ARG 161 Cb 0.50 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1a04 h ARG 161 CO 0.03 0.93 0.45 -0.44 -1.07 0.00 0.00 179.97 179.87 1a04 h ASP 162 N 0.34 1.06 -0.04 7.04 3.32 -0.82 -0.36 116.42 126.95 1a04 h ASP 162 Ca 0.04 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1a04 h ASP 162 Cb 0.81 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1a04 h ASP 162 CO 0.06 0.86 0.01 0.40 -1.72 0.00 0.00 179.24 178.84 1a04 h ILE 163 N 1.18 1.22 -0.55 0.35 1.08 -0.90 -2.80 117.51 117.09 1a04 h ILE 163 Ca 0.30 -0.66 0.05 0.00 -0.39 0.00 0.00 64.86 64.16 1a04 h ILE 163 Cb 0.04 1.58 -0.05 0.00 -3.07 0.00 0.00 36.82 35.32 1a04 h ILE 163 CO -0.05 0.18 0.27 0.25 -0.69 0.00 0.00 178.15 178.11 1a04 h LEU 164 N -0.18 0.38 -0.69 1.44 5.85 -0.66 0.27 115.31 121.72 1a04 h LEU 164 Ca 0.01 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1a04 h LEU 164 Cb 0.28 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1a04 h LEU 164 CO 0.00 0.25 0.44 0.11 -0.34 0.00 0.00 178.44 178.91 1a04 h LYS 165 N 0.52 0.86 -0.06 1.25 1.57 -1.03 -0.46 116.57 119.22 1a04 h LYS 165 Ca 0.25 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.80 1a04 h LYS 165 Cb 0.18 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1a04 h LYS 165 CO -0.18 0.57 -0.72 -0.07 -0.57 0.00 0.00 179.45 178.47 1a04 h LEU 166 N 0.88 0.37 -0.60 2.94 3.38 -1.16 -2.84 115.31 118.28 1a04 h LEU 166 Ca 0.26 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1a04 h LEU 166 Cb -0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1a04 h LEU 166 CO -0.08 0.97 0.26 0.40 0.09 0.00 0.00 178.44 180.08 1a04 h ILE 167 N 0.21 1.23 0.00 1.22 1.08 -0.61 -2.20 117.51 118.44 1a04 h ILE 167 Ca -0.03 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1a04 h ILE 167 Cb 1.29 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1a04 h ILE 167 CO 0.12 0.27 -0.03 0.00 -0.69 0.00 0.00 178.15 177.81 1a04 h ALA 168 N 1.10 1.11 -0.00 1.87 0.00 -0.95 0.63 119.26 123.02 1a04 h ALA 168 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1a04 h ALA 168 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1a04 h ALA 168 CO -0.02 0.04 -0.03 1.04 0.00 0.00 0.00 179.25 180.29 1a04 n GLN 169 N -3.29 0.67 -1.03 0.00 6.02 -0.84 -4.67 117.38 114.24 1a04 n GLN 169 Ca -0.02 -0.08 -0.01 0.00 -0.01 0.00 0.00 57.00 56.88 1a04 n GLN 169 Cb 0.18 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.94 1a04 n GLN 169 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a04 n GLY 170 N 1.21 0.47 3.78 1.08 0.00 0.22 -4.81 105.19 107.13 1a04 n GLY 170 Ca 0.17 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 1a04 n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a04 s LEU 171 N -0.26 4.35 0.65 0.99 1.43 -1.15 -0.53 118.68 124.16 1a04 s LEU 171 Ca 0.00 1.90 -0.11 0.00 -1.03 0.00 0.00 54.13 54.89 1a04 s LEU 171 Cb 0.00 -3.98 -0.02 0.00 0.03 0.00 0.00 46.19 42.21 1a04 s LEU 171 CO 0.00 -0.11 1.04 -2.16 0.23 0.00 0.00 176.35 175.35 1a04 s PRO 172 N -2.01 3.33 0.37 1.29 0.04 -1.25 -4.77 135.00 132.00 1a04 s PRO 172 Ca 0.50 0.84 0.14 0.00 0.04 0.00 0.00 61.00 62.52 1a04 s PRO 172 Cb -0.20 -2.04 0.97 0.00 0.04 0.00 0.00 34.50 33.26 1a04 s PRO 172 CO 0.26 -0.79 1.81 -0.91 0.04 0.00 0.00 177.00 177.41 1a04 h ASN 173 N -0.46 0.55 -0.57 6.66 2.35 -1.93 -1.69 115.58 120.49 1a04 h ASN 173 Ca -0.44 0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.30 1a04 h ASN 173 Cb 1.20 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 1a04 h ASN 173 CO 0.60 0.19 0.06 0.11 -1.65 0.00 0.00 177.43 176.74 1a04 h LYS 174 N 0.53 0.97 -0.45 0.81 1.57 -1.95 -0.49 116.57 117.57 1a04 h LYS 174 Ca 0.53 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1a04 h LYS 174 Cb 1.15 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1a04 h LYS 174 CO -0.27 0.94 -0.18 1.98 -0.57 0.00 0.00 179.45 181.35 1a04 h MET 175 N 0.87 0.87 -0.12 3.15 4.05 -1.70 -2.05 114.93 119.99 1a04 h MET 175 Ca 0.17 -0.34 -0.04 0.00 -0.28 0.00 0.00 59.70 59.22 1a04 h MET 175 Cb 0.46 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1a04 h MET 175 CO 0.02 0.98 -0.07 0.82 0.23 0.00 0.00 176.91 178.89 1a04 h ILE 176 N 0.77 1.32 -0.64 1.77 2.04 -1.26 -2.09 117.51 119.41 1a04 h ILE 176 Ca 0.11 -1.12 0.10 0.00 1.00 0.00 0.00 64.86 64.95 1a04 h ILE 176 Cb 0.71 1.81 -0.08 0.00 -0.74 0.00 0.00 36.82 38.52 1a04 h ILE 176 CO 0.05 0.32 0.25 0.00 0.00 0.00 0.00 178.15 178.78 1a04 h ALA 177 N 0.64 0.85 -0.08 1.87 0.00 -1.01 -1.48 119.26 120.05 1a04 h ALA 177 Ca 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1a04 h ALA 177 Cb 0.54 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1a04 h ALA 177 CO 0.02 -0.17 -0.01 -0.09 0.00 0.00 0.00 179.25 179.00 1a04 h ARG 178 N 0.44 0.15 -0.48 0.00 2.43 -1.31 0.22 114.38 115.83 1a04 h ARG 178 Ca 0.33 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1a04 h ARG 178 Cb 0.41 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1a04 h ARG 178 CO -0.32 0.44 0.31 0.00 -1.51 0.00 0.00 179.97 178.89 1a04 h ARG 179 N -0.15 0.64 -0.10 0.20 2.47 -1.00 -2.06 114.38 114.38 1a04 h ARG 179 Ca 0.02 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1a04 h ARG 179 Cb 0.37 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1a04 h ARG 179 CO 0.01 0.43 0.00 1.28 0.56 0.00 0.00 179.97 182.25 1a04 n LEU 180 N -4.46 3.02 -3.62 3.04 4.77 -0.59 -4.99 117.00 114.17 1a04 n LEU 180 Ca 0.04 -1.07 -0.26 0.00 -0.03 0.00 0.00 56.01 54.69 1a04 n LEU 180 Cb 0.06 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1a04 n LEU 180 CO 0.36 0.54 -0.06 -0.67 -1.33 0.00 0.00 177.39 176.22 1a04 n ASP 181 N 1.32 -4.32 -4.09 -1.43 2.03 -0.09 -5.02 116.55 104.95 1a04 n ASP 181 Ca 0.15 -0.91 -0.09 0.00 0.52 0.00 0.00 54.79 54.46 1a04 n ASP 181 Cb 0.59 -3.88 -0.09 0.00 -0.72 0.00 0.00 41.12 37.02 1a04 n ASP 181 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1a04 s ILE 182 N -3.53 0.12 0.66 5.18 -4.36 -0.26 -5.04 121.20 113.97 1a04 s ILE 182 Ca 0.33 -1.76 -0.11 0.00 -0.26 0.00 0.00 60.65 58.86 1a04 s ILE 182 Cb -0.10 -1.86 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 1a04 s ILE 182 CO 0.83 -0.56 1.05 0.42 0.24 0.00 0.00 174.94 176.91 1a04 s THR 183 N -4.00 4.35 0.33 8.37 -4.23 -1.26 -4.38 115.64 114.82 1a04 s THR 183 Ca 0.18 0.76 0.02 0.00 -1.18 0.00 0.00 61.69 61.47 1a04 s THR 183 Cb 0.07 -3.63 0.21 0.00 1.34 0.00 0.00 72.50 70.49 1a04 s THR 183 CO -0.02 -1.00 1.93 -0.33 -0.54 0.00 0.00 174.62 174.67 1a04 h GLU 184 N -0.52 0.78 -0.62 3.99 5.08 -1.93 -1.40 114.58 119.96 1a04 h GLU 184 Ca -0.44 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 57.92 1a04 h GLU 184 Cb 1.20 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.23 1a04 h GLU 184 CO 0.59 0.61 0.24 0.77 -1.00 0.00 0.00 179.01 180.23 1a04 h SER 185 N 0.78 0.25 -0.48 1.42 0.02 -1.97 0.13 113.55 113.71 1a04 h SER 185 Ca 0.19 0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 61.12 1a04 h SER 185 Cb 0.09 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1a04 h SER 185 CO -0.03 0.15 -0.08 0.74 -1.14 0.00 0.00 176.83 176.47 1a04 h THR 186 N 0.43 1.27 -0.31 -2.27 2.02 -1.77 -2.28 112.91 110.00 1a04 h THR 186 Ca 0.31 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 66.33 1a04 h THR 186 Cb 0.38 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1a04 h THR 186 CO -0.30 0.42 0.10 0.58 0.37 0.00 0.00 175.52 176.69 1a04 h VAL 187 N 0.75 0.91 -0.67 3.16 2.07 -0.10 -1.89 116.25 120.49 1a04 h VAL 187 Ca 0.13 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1a04 h VAL 187 Cb 0.63 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1a04 h VAL 187 CO 0.04 0.04 0.40 0.11 0.02 0.00 0.00 177.57 178.19 1a04 h LYS 188 N 0.24 0.75 -0.54 1.57 1.57 -0.64 -0.38 116.57 119.14 1a04 h LYS 188 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1a04 h LYS 188 Cb 0.11 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1a04 h LYS 188 CO -0.14 0.50 0.34 0.28 -0.57 0.00 0.00 179.45 179.85 1a04 h VAL 189 N 0.77 1.15 -0.45 0.50 2.07 -1.03 -2.24 116.25 117.03 1a04 h VAL 189 Ca 0.28 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1a04 h VAL 189 Cb 0.07 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1a04 h VAL 189 CO -0.13 0.16 -0.13 0.45 0.02 0.00 0.00 177.57 177.94 1a04 h HIS 190 N 0.73 0.99 -0.53 1.57 3.86 -0.83 -2.42 115.15 118.52 1a04 h HIS 190 Ca 0.20 -0.22 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1a04 h HIS 190 Cb -0.04 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.16 1a04 h HIS 190 CO -0.03 0.98 0.34 0.28 0.86 0.00 0.00 177.93 180.36 1a04 h VAL 191 N 0.71 1.12 -0.19 2.45 2.07 -0.93 0.19 116.25 121.67 1a04 h VAL 191 Ca 0.11 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1a04 h VAL 191 Cb 0.67 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1a04 h VAL 191 CO 0.05 0.13 0.05 0.11 0.02 0.00 0.00 177.57 177.93 1a04 h LYS 192 N 0.69 0.30 -0.07 1.57 1.57 -1.38 -1.60 116.57 117.64 1a04 h LYS 192 Ca 0.20 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1a04 h LYS 192 Cb -0.06 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1a04 h LYS 192 CO -0.05 0.42 0.05 0.45 -0.57 0.00 0.00 179.45 179.75 1a04 h HIS 193 N 0.13 0.09 -0.30 -1.35 3.86 -1.21 -2.20 115.15 114.17 1a04 h HIS 193 Ca 0.06 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1a04 h HIS 193 Cb 0.25 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1a04 h HIS 193 CO 0.01 0.06 0.16 1.98 0.86 0.00 0.00 177.93 181.00 1a04 h MET 194 N 0.10 0.33 -0.83 2.45 1.85 -0.57 -1.57 114.93 116.69 1a04 h MET 194 Ca 0.03 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1a04 h MET 194 Cb -0.01 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 31.91 1a04 h MET 194 CO -0.01 0.22 0.42 -0.07 -0.40 0.00 0.00 176.91 177.07 1a04 h LEU 195 N 0.34 1.06 -0.56 3.39 3.38 -1.23 -0.31 115.31 121.38 1a04 h LEU 195 Ca 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1a04 h LEU 195 Cb 0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1a04 h LEU 195 CO -0.06 0.88 0.28 0.50 0.09 0.00 0.00 178.44 180.13 1a04 h LYS 196 N 1.16 0.81 -0.17 1.13 3.64 -1.18 0.34 116.57 122.30 1a04 h LYS 196 Ca 0.29 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1a04 h LYS 196 Cb 0.09 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1a04 h LYS 196 CO -0.04 0.65 -0.27 0.87 -2.27 0.00 0.00 179.45 178.39 1a04 h LYS 197 N 0.76 0.49 0.00 1.90 1.57 -1.00 -3.20 116.57 117.09 1a04 h LYS 197 Ca 0.19 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1a04 h LYS 197 Cb 0.11 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1a04 h LYS 197 CO -0.03 0.89 0.00 -1.33 -0.57 0.00 0.00 179.45 178.42 1a04 n MET 198 N -4.39 0.33 -3.75 3.15 2.81 -0.15 -4.78 117.12 110.34 1a04 n MET 198 Ca -0.06 0.02 -0.26 0.00 -1.81 0.00 0.00 57.70 55.59 1a04 n MET 198 Cb 0.46 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.51 1a04 n MET 198 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a04 n LYS 199 N -1.32 -6.19 -3.89 0.03 5.02 0.03 -4.78 118.16 107.06 1a04 n LYS 199 Ca 0.12 0.69 -0.35 0.00 -2.02 0.00 0.00 58.31 56.75 1a04 n LYS 199 Cb 0.24 -5.57 -0.10 0.00 -0.02 0.00 0.00 35.03 29.59 1a04 n LYS 199 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a04 s LEU 200 N -7.11 3.90 0.40 -0.35 1.43 -0.71 -5.00 118.68 111.24 1a04 s LEU 200 Ca 0.47 0.09 0.18 0.00 -1.03 0.00 0.00 54.13 53.84 1a04 s LEU 200 Cb -0.23 -2.00 0.85 0.00 0.03 0.00 0.00 46.19 44.84 1a04 s LEU 200 CO 0.79 0.14 1.83 0.11 0.23 0.00 0.00 176.35 179.46 1a04 h LYS 201 N 6.93 0.00 -3.35 1.70 1.57 -1.94 -3.42 116.57 118.06 1a04 h LYS 201 Ca -0.38 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1a04 h LYS 201 Cb 1.17 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 1a04 h LYS 201 CO 0.70 0.33 0.09 -1.54 -0.57 0.00 0.00 179.45 178.45 1a04 s SER 202 N -6.57 0.06 0.27 0.86 1.04 -1.26 -4.93 113.70 103.17 1a04 s SER 202 Ca -0.02 -1.00 -0.01 0.00 0.48 0.00 0.00 55.95 55.41 1a04 s SER 202 Cb 0.13 0.72 0.39 0.00 0.10 0.00 0.00 66.02 67.35 1a04 s SER 202 CO 0.68 -1.40 1.78 0.03 0.98 0.00 0.00 173.24 175.31 1a04 h ARG 203 N 2.08 0.72 -0.25 4.02 3.08 -1.92 -1.35 114.38 120.77 1a04 h ARG 203 Ca -0.26 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 59.44 1a04 h ARG 203 Cb 1.25 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1a04 h ARG 203 CO 0.34 0.75 -0.47 -0.24 -1.07 0.00 0.00 179.97 179.28 1a04 h VAL 204 N 0.68 1.30 -0.28 2.04 3.04 -1.93 -1.73 116.25 119.37 1a04 h VAL 204 Ca 0.13 -1.67 -0.05 0.00 -1.01 0.00 0.00 66.70 64.11 1a04 h VAL 204 Cb 0.44 1.61 -0.02 0.00 -2.01 0.00 0.00 31.29 31.32 1a04 h VAL 204 CO 0.02 0.53 -0.04 -0.08 -1.01 0.00 0.00 177.57 176.99 1a04 h GLU 205 N 0.52 0.44 -0.20 4.17 4.81 -1.83 -1.38 114.58 121.11 1a04 h GLU 205 Ca 0.03 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 1a04 h GLU 205 Cb 1.01 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1a04 h GLU 205 CO 0.09 0.50 -0.56 0.00 -0.73 0.00 0.00 179.01 178.31 1a04 h ALA 206 N 1.54 0.64 -0.30 2.92 0.00 -0.84 -1.45 119.26 121.78 1a04 h ALA 206 Ca 0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1a04 h ALA 206 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1a04 h ALA 206 CO 0.01 0.69 -0.27 0.00 0.00 0.00 0.00 179.25 179.68 1a04 h ALA 207 N 0.90 0.97 -0.11 0.00 0.00 -0.62 -2.00 119.26 118.41 1a04 h ALA 207 Ca 0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1a04 h ALA 207 Cb 1.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1a04 h ALA 207 CO 0.11 0.60 -0.39 0.28 0.00 0.00 0.00 179.25 179.85 1a04 h VAL 208 N 0.52 1.38 0.37 0.00 2.07 -1.21 -2.52 116.25 116.85 1a04 h VAL 208 Ca 0.07 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1a04 h VAL 208 Cb 0.74 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1a04 h VAL 208 CO 0.06 0.51 -0.28 -0.25 0.02 0.00 0.00 177.57 177.63 1a04 h TRP 209 N 0.04 -0.74 -0.94 1.57 7.01 -1.22 -0.75 115.95 120.92 1a04 h TRP 209 Ca -0.02 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.13 1a04 h TRP 209 Cb 1.02 0.27 -0.08 0.00 -2.10 0.00 0.00 29.16 28.27 1a04 h TRP 209 CO 0.11 -0.42 0.60 0.28 -2.79 0.00 0.00 178.44 176.23 1a04 h VAL 210 N -0.64 0.82 -0.13 2.65 2.07 -1.45 -1.20 116.25 118.38 1a04 h VAL 210 Ca -0.03 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1a04 h VAL 210 Cb 0.56 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1a04 h VAL 210 CO -0.00 0.14 -0.02 -0.74 0.02 0.00 0.00 177.57 176.97 1a04 h HIS 211 N 0.77 0.26 0.04 1.57 -0.00 -0.96 0.28 115.15 117.11 1a04 h HIS 211 Ca 0.49 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.80 1a04 h HIS 211 Cb 0.72 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1a04 h HIS 211 CO -0.00 0.51 -0.02 1.96 -0.00 0.00 0.00 177.93 180.38 1a04 h GLN 212 N -0.06 -0.06 0.00 5.26 4.20 -0.60 -3.08 115.11 120.76 1a04 h GLN 212 Ca 0.03 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1a04 h GLN 212 Cb 0.42 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1a04 h GLN 212 CO 0.01 0.06 -0.22 0.93 -0.67 0.00 0.00 178.83 178.94 1a04 h GLU 213 N -0.16 0.00 -5.01 1.46 4.39 -1.28 -3.48 114.58 110.49 1a04 h GLU 213 Ca -0.01 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 1a04 h GLU 213 Cb 0.14 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 28.91 1a04 h GLU 213 CO 0.01 0.22 -0.53 0.54 -1.16 0.00 0.00 179.01 178.09 1a04 n ARG 214 N -3.28 -1.66 -3.14 2.33 1.74 0.93 -4.99 116.66 108.60 1a04 n ARG 214 Ca 0.01 0.88 -0.42 0.00 -0.77 0.00 0.00 57.85 57.56 1a04 n ARG 214 Cb 0.49 -5.08 -0.07 0.00 -1.02 0.00 0.00 32.46 26.78 1a04 n ARG 214 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a04 s ILE 215 N -3.24 4.92 -1.89 0.55 1.01 -0.95 -5.06 121.20 116.54 1a04 s ILE 215 Ca 0.28 0.57 0.15 0.00 0.00 0.00 0.00 60.65 61.65 1a04 s ILE 215 Cb -0.04 -4.05 0.12 0.00 0.01 0.00 0.00 42.46 38.51 1a04 s ILE 215 CO 0.62 -0.27 0.98 0.49 0.00 0.00 0.00 174.94 176.75