#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h61 s SER 1 N 0.00 3.58 0.30 7.83 1.04 -1.26 -4.85 113.70 120.35 2h61 s SER 1 Ca 0.00 1.09 -0.01 0.00 0.48 0.00 0.00 55.95 57.51 2h61 s SER 1 Cb 0.00 -1.71 0.47 0.00 0.10 0.00 0.00 66.02 64.88 2h61 s SER 1 CO 0.00 -2.52 1.97 -0.33 0.98 0.00 0.00 173.24 173.34 2h61 h GLU 2 N -1.47 1.05 -0.38 4.02 4.39 -2.05 -1.72 114.58 118.42 2h61 h GLU 2 Ca -0.50 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.07 2h61 h GLU 2 Cb 1.32 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2h61 h GLU 2 CO 0.60 0.70 -0.03 1.25 -1.16 0.00 0.00 179.01 180.37 2h61 h LEU 3 N 1.08 0.68 -0.53 1.33 6.46 -1.99 -0.26 115.31 122.09 2h61 h LEU 3 Ca 0.31 -0.33 0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2h61 h LEU 3 Cb -0.08 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.63 2h61 h LEU 3 CO -0.07 0.85 0.33 -0.33 -0.62 0.00 0.00 178.44 178.59 2h61 h GLU 4 N 0.50 0.65 -0.43 1.25 5.08 -1.88 -1.47 114.58 118.27 2h61 h GLU 4 Ca 0.10 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2h61 h GLU 4 Cb 0.52 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2h61 h GLU 4 CO 0.03 0.43 -0.19 0.87 -1.00 0.00 0.00 179.01 179.15 2h61 h LYS 5 N 0.67 0.84 -0.66 2.33 1.57 -1.19 -1.03 116.57 119.09 2h61 h LYS 5 Ca 0.20 -0.33 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2h61 h LYS 5 Cb -0.03 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 2h61 h LYS 5 CO -0.07 0.96 0.34 0.00 -0.57 0.00 0.00 179.45 180.11 2h61 h ALA 6 N 1.05 0.89 -0.18 3.86 0.00 -0.82 -0.28 119.26 123.76 2h61 h ALA 6 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2h61 h ALA 6 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2h61 h ALA 6 CO 0.05 -0.01 0.07 0.52 0.00 0.00 0.00 179.25 179.89 2h61 h MET 7 N 0.62 0.28 -0.37 0.00 2.86 -0.85 -1.92 114.93 115.55 2h61 h MET 7 Ca 0.31 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2h61 h MET 7 Cb 0.25 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2h61 h MET 7 CO -0.21 0.35 0.24 0.28 1.06 0.00 0.00 176.91 178.62 2h61 h VAL 8 N 0.14 1.10 -0.45 -2.22 2.07 -0.96 -1.74 116.25 114.19 2h61 h VAL 8 Ca 0.06 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 2h61 h VAL 8 Cb 0.18 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2h61 h VAL 8 CO -0.00 0.10 -0.04 0.00 0.02 0.00 0.00 177.57 177.64 2h61 h ALA 9 N 1.75 1.08 -0.38 1.67 0.00 -0.68 0.83 119.26 123.52 2h61 h ALA 9 Ca 0.14 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2h61 h ALA 9 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2h61 h ALA 9 CO -0.03 0.58 -0.10 -0.07 0.00 0.00 0.00 179.25 179.63 2h61 h LEU 10 N 0.71 0.75 -0.88 0.00 3.38 -0.55 -0.84 115.31 117.87 2h61 h LEU 10 Ca 0.13 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 2h61 h LEU 10 Cb 0.50 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2h61 h LEU 10 CO 0.03 0.94 -0.19 -0.29 0.09 0.00 0.00 178.44 179.01 2h61 h ILE 11 N 0.54 1.26 -0.14 1.22 -0.00 -1.12 -2.45 117.51 116.82 2h61 h ILE 11 Ca 0.10 -1.22 -0.01 0.00 -0.00 0.00 0.00 64.86 63.73 2h61 h ILE 11 Cb 0.61 1.22 -0.01 0.00 -0.00 0.00 0.00 36.82 38.65 2h61 h ILE 11 CO 0.04 0.40 0.05 -0.78 -0.00 0.00 0.00 178.15 177.85 2h61 h ASP 12 N 0.54 0.21 -0.59 2.19 3.58 -0.62 -0.94 116.42 120.78 2h61 h ASP 12 Ca 0.09 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.30 2h61 h ASP 12 Cb 0.63 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 2h61 h ASP 12 CO 0.04 0.35 0.25 1.62 -2.88 0.00 0.00 179.24 178.63 2h61 h VAL 13 N 0.05 1.22 -0.47 2.25 3.04 -1.11 -0.96 116.25 120.28 2h61 h VAL 13 Ca 0.05 -0.68 0.09 0.00 -1.01 0.00 0.00 66.70 65.14 2h61 h VAL 13 Cb 0.22 0.57 -0.07 0.00 -2.01 0.00 0.00 31.29 30.00 2h61 h VAL 13 CO -0.00 0.27 0.02 0.15 -1.01 0.00 0.00 177.57 177.00 2h61 h PHE 14 N 0.81 0.01 -0.99 3.17 3.57 -1.40 -2.48 116.94 119.64 2h61 h PHE 14 Ca 0.20 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.74 2h61 h PHE 14 Cb 0.18 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 2h61 h PHE 14 CO 0.01 -0.08 0.65 0.45 -2.23 0.00 0.00 178.31 177.11 2h61 h HIS 15 N 0.14 1.24 -0.50 0.41 3.86 -0.31 0.14 115.15 120.12 2h61 h HIS 15 Ca 0.23 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.41 2h61 h HIS 15 Cb 0.34 -0.42 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2h61 h HIS 15 CO -0.28 0.78 0.09 1.96 0.86 0.00 0.00 177.93 181.34 2h61 h GLN 16 N 1.33 0.83 0.10 2.45 4.20 -0.77 -2.67 115.11 120.58 2h61 h GLN 16 Ca 0.36 -0.22 -0.27 0.00 0.06 0.00 0.00 58.65 58.58 2h61 h GLN 16 Cb -0.15 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 2h61 h GLN 16 CO -0.08 0.82 -1.32 1.88 -0.67 0.00 0.00 178.83 179.46 2h61 h TYR 17 N 0.71 0.37 0.00 2.96 -1.99 -1.26 -3.36 116.97 114.40 2h61 h TYR 17 Ca 0.15 -0.27 -0.05 0.00 2.00 0.00 0.00 58.73 60.56 2h61 h TYR 17 Cb 0.39 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 2h61 h TYR 17 CO 0.03 1.25 -0.24 0.66 -0.00 0.00 0.00 178.16 179.86 2h61 h SER 18 N 0.06 0.00 1.52 3.88 4.64 -0.98 -3.18 113.55 119.49 2h61 h SER 18 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2h61 h SER 18 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 2h61 h SER 18 CO 0.17 0.24 0.00 1.23 -0.87 0.00 0.00 176.83 177.60 2h61 h GLY 19 N 2.38 0.00 1.12 -0.77 0.00 -1.56 -3.37 103.07 100.87 2h61 h GLY 19 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 2h61 h GLY 19 CO 0.03 0.00 -0.23 3.21 0.00 0.00 0.00 176.54 179.55 2h61 h ARG 20 N 0.00 0.99 -3.96 4.80 3.08 -1.74 -3.46 114.38 114.10 2h61 h ARG 20 Ca 0.00 -0.43 -0.28 0.00 0.07 0.00 0.00 59.98 59.34 2h61 h ARG 20 Cb 0.76 -0.03 -0.29 0.00 0.08 0.00 0.00 29.97 30.49 2h61 h ARG 20 CO 0.00 1.11 -0.74 -1.21 -1.07 0.00 0.00 179.97 178.06 2h61 s GLU 21 N -4.65 0.20 5.31 0.04 2.02 -1.26 -5.11 118.70 115.25 2h61 s GLU 21 Ca -0.11 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 54.81 2h61 s GLU 21 Cb 0.12 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.14 2h61 s GLU 21 CO 0.87 0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.59 2h61 n GLY 22 N 3.14 2.77 3.72 -1.39 0.00 -1.26 -4.48 105.19 107.70 2h61 n GLY 22 Ca -0.14 -0.36 -0.60 0.00 0.00 0.00 0.00 46.02 44.92 2h61 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2h61 n ASP 23 N 0.57 2.09 -0.04 1.61 -0.08 -1.26 -4.81 116.55 114.63 2h61 n ASP 23 Ca 0.00 1.10 0.15 0.00 -1.51 0.00 0.00 54.79 54.53 2h61 n ASP 23 Cb 0.00 -1.07 0.72 0.00 2.34 0.00 0.00 41.12 43.11 2h61 n ASP 23 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2h61 n LYS 24 N 5.06 0.55 -0.14 -0.67 5.02 -1.26 -3.40 118.16 123.33 2h61 n LYS 24 Ca 0.28 -0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.56 2h61 n LYS 24 Cb 0.08 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.73 2h61 n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2h61 n HIS 25 N -1.16 0.36 -3.95 2.13 8.25 -1.26 -3.77 115.22 115.82 2h61 n HIS 25 Ca 0.15 -0.31 -0.09 0.00 -0.26 0.00 0.00 57.72 57.21 2h61 n HIS 25 Cb 0.24 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.25 2h61 n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2h61 s LYS 26 N -1.05 0.65 -0.31 -0.41 1.02 -1.22 -4.46 119.74 113.96 2h61 s LYS 26 Ca 0.24 -0.92 -0.13 0.00 0.02 0.00 0.00 55.97 55.18 2h61 s LYS 26 Cb 0.13 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.66 2h61 s LYS 26 CO 0.18 -0.16 0.25 -0.51 -0.92 0.00 0.00 175.35 174.19 2h61 s LEU 27 N -2.48 4.26 0.77 3.17 1.43 -0.24 -4.57 118.68 121.01 2h61 s LEU 27 Ca 0.00 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 2h61 s LEU 27 Cb 0.02 -2.19 0.05 0.00 0.03 0.00 0.00 46.19 44.11 2h61 s LEU 27 CO -0.07 -0.17 1.14 -1.59 0.23 0.00 0.00 176.35 175.89 2h61 s LYS 28 N 1.81 2.33 0.27 1.70 -2.85 -1.26 0.20 119.74 121.94 2h61 s LYS 28 Ca 0.08 0.31 -0.01 0.00 -1.00 0.00 0.00 55.97 55.35 2h61 s LYS 28 Cb -0.17 -1.98 0.50 0.00 -2.06 0.00 0.00 37.83 34.13 2h61 s LYS 28 CO 0.11 -1.38 1.83 0.87 0.10 0.00 0.00 175.35 176.88 2h61 h LYS 29 N -0.90 0.90 -0.44 1.78 1.57 -1.96 -1.25 116.57 116.27 2h61 h LYS 29 Ca -0.46 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 2h61 h LYS 29 Cb 1.29 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 2h61 h LYS 29 CO 0.64 0.60 0.16 0.66 -0.57 0.00 0.00 179.45 180.94 2h61 h SER 30 N 0.93 0.58 -0.14 0.86 4.64 -1.99 -0.02 113.55 118.40 2h61 h SER 30 Ca 0.46 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.65 2h61 h SER 30 Cb 0.44 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2h61 h SER 30 CO -0.26 0.54 -0.15 -0.33 -0.87 0.00 0.00 176.83 175.75 2h61 h GLU 31 N 0.63 0.35 -0.61 4.77 5.08 -1.73 -1.54 114.58 121.53 2h61 h GLU 31 Ca 0.15 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2h61 h GLU 31 Cb 0.16 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2h61 h GLU 31 CO -0.01 0.75 0.33 1.25 -1.00 0.00 0.00 179.01 180.33 2h61 h LEU 32 N -0.03 0.77 -0.47 1.33 5.85 -0.91 0.20 115.31 122.05 2h61 h LEU 32 Ca 0.02 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2h61 h LEU 32 Cb 0.69 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 2h61 h LEU 32 CO 0.04 0.65 0.24 0.50 -0.34 0.00 0.00 178.44 179.53 2h61 h LYS 33 N 0.83 0.47 -0.76 1.25 3.64 -1.02 -1.23 116.57 119.74 2h61 h LYS 33 Ca 0.21 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2h61 h LYS 33 Cb 0.05 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 2h61 h LYS 33 CO -0.03 0.31 0.47 0.93 -2.27 0.00 0.00 179.45 178.85 2h61 h GLU 34 N 0.48 1.02 -0.17 1.90 5.08 -0.79 -0.15 114.58 121.95 2h61 h GLU 34 Ca 0.20 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2h61 h GLU 34 Cb 0.10 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2h61 h GLU 34 CO -0.14 0.72 0.07 1.25 -1.00 0.00 0.00 179.01 179.91 2h61 h LEU 35 N 1.03 0.23 -0.70 1.33 6.46 -0.64 -0.43 115.31 122.60 2h61 h LEU 35 Ca 0.27 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 2h61 h LEU 35 Cb -0.05 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 2h61 h LEU 35 CO -0.05 0.33 0.45 0.40 -0.62 0.00 0.00 178.44 178.94 2h61 h ILE 36 N 0.12 1.19 0.00 4.05 2.04 -1.12 0.43 117.51 124.22 2h61 h ILE 36 Ca 0.06 -0.37 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 2h61 h ILE 36 Cb 0.17 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2h61 h ILE 36 CO -0.00 0.19 -0.70 0.78 0.00 0.00 0.00 178.15 178.41 2h61 h ASN 37 N 0.95 0.00 0.00 1.72 -0.26 -0.93 -2.29 115.58 114.76 2h61 h ASN 37 Ca 0.25 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.85 2h61 h ASN 37 Cb -0.08 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.16 2h61 h ASN 37 CO -0.05 0.70 -2.13 0.59 -1.06 0.00 0.00 177.43 175.48 2h61 n ASN 38 N -3.64 0.11 0.00 5.81 3.02 -0.18 -4.22 115.26 116.16 2h61 n ASN 38 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2h61 n ASN 38 Cb 0.70 1.59 0.00 0.00 -0.61 0.00 0.00 39.78 41.46 2h61 n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2h61 n GLU 39 N -2.44 1.14 -0.71 3.52 -0.58 0.15 -4.50 120.64 117.22 2h61 n GLU 39 Ca -0.15 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.58 2h61 n GLU 39 Cb 0.79 -0.91 0.21 0.00 -0.57 0.00 0.00 31.44 30.96 2h61 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2h61 n LEU 40 N -1.38 4.02 0.25 -4.62 4.77 -0.87 -4.83 117.00 114.35 2h61 n LEU 40 Ca 0.00 -3.61 0.17 0.00 -0.03 0.00 0.00 56.01 52.54 2h61 n LEU 40 Cb 0.00 -0.61 0.75 0.00 -2.33 0.00 0.00 43.42 41.23 2h61 n LEU 40 CO 0.00 1.13 0.99 0.77 -1.33 0.00 0.00 177.39 178.95 2h61 h SER 41 N 1.12 0.00 0.49 -1.43 4.64 -1.73 0.01 113.55 116.65 2h61 h SER 41 Ca 0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2h61 h SER 41 Cb 1.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2h61 h SER 41 CO 0.34 0.00 -1.52 1.41 -0.87 0.00 0.00 176.83 176.19 2h61 n HIS 42 N -2.82 0.49 -0.08 4.77 8.25 -1.26 -4.43 115.22 120.14 2h61 n HIS 42 Ca -0.00 0.14 -0.07 0.00 -0.26 0.00 0.00 57.72 57.53 2h61 n HIS 42 Cb 0.21 -0.75 -0.13 0.00 1.12 0.00 0.00 29.99 30.45 2h61 n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2h61 n PHE 43 N -2.49 0.00 -4.37 4.41 3.72 -1.10 -5.02 117.46 112.61 2h61 n PHE 43 Ca -0.03 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.12 2h61 n PHE 43 Cb 0.58 -0.80 -0.09 0.00 -0.94 0.00 0.00 39.48 38.23 2h61 n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2h61 s LEU 44 N -5.18 2.85 0.37 4.37 1.43 -0.03 -5.12 118.68 117.38 2h61 s LEU 44 Ca -0.08 -0.78 -0.26 0.00 -1.03 0.00 0.00 54.13 51.97 2h61 s LEU 44 Cb 0.05 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.75 2h61 s LEU 44 CO 0.68 0.05 1.15 -0.70 0.23 0.00 0.00 176.35 177.76 2h61 s GLU 45 N -3.30 4.20 0.33 1.70 2.12 -1.26 -4.66 118.70 117.83 2h61 s GLU 45 Ca 0.28 1.83 -0.29 0.00 0.36 0.00 0.00 54.97 57.15 2h61 s GLU 45 Cb -0.07 -2.79 -0.11 0.00 0.26 0.00 0.00 34.13 31.42 2h61 s GLU 45 CO 0.16 -0.19 1.56 -1.91 -0.54 0.00 0.00 175.26 174.34 2h61 n GLU 46 N 0.33 2.70 -3.01 4.30 2.13 -1.26 -4.94 120.64 120.89 2h61 n GLU 46 Ca 0.03 0.96 -0.42 0.00 0.66 0.00 0.00 57.16 58.38 2h61 n GLU 46 Cb 0.46 -2.72 -0.06 0.00 0.27 0.00 0.00 31.44 29.39 2h61 n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2h61 s ILE 47 N -0.43 4.77 -0.02 6.31 1.01 -1.26 -4.86 121.20 126.71 2h61 s ILE 47 Ca 0.60 0.70 0.04 0.00 0.00 0.00 0.00 60.65 61.99 2h61 s ILE 47 Cb -0.49 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 37.74 2h61 s ILE 47 CO 0.54 -0.45 0.06 1.17 0.00 0.00 0.00 174.94 176.26 2h61 n LYS 48 N 6.35 1.62 -3.55 2.79 0.00 -1.26 -4.97 118.16 119.14 2h61 n LYS 48 Ca 0.01 -0.02 -0.38 0.00 0.00 0.00 0.00 58.31 57.92 2h61 n LYS 48 Cb 0.48 -1.10 -0.11 0.00 0.00 0.00 0.00 35.03 34.30 2h61 n LYS 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2h61 s GLU 49 N -2.21 3.89 0.37 1.64 2.02 -1.26 -4.99 118.70 118.17 2h61 s GLU 49 Ca -0.02 -0.32 0.12 0.00 0.02 0.00 0.00 54.97 54.77 2h61 s GLU 49 Cb 0.02 -3.68 0.90 0.00 0.10 0.00 0.00 34.13 31.47 2h61 s GLU 49 CO 0.17 -0.23 1.85 0.37 0.02 0.00 0.00 175.26 177.44 2h61 h GLN 50 N 8.36 0.58 0.00 1.61 5.75 -2.03 0.25 115.11 129.64 2h61 h GLN 50 Ca -0.34 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 2h61 h GLN 50 Cb 1.18 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.60 2h61 h GLN 50 CO 0.58 0.39 0.10 1.05 -2.65 0.00 0.00 178.83 178.29 2h61 h GLU 51 N 0.60 0.00 -0.16 1.69 4.11 -1.99 -2.35 114.58 116.48 2h61 h GLU 51 Ca 0.47 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.82 2h61 h GLU 51 Cb 0.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2h61 h GLU 51 CO -0.22 0.00 -0.22 0.28 0.07 0.00 0.00 179.01 178.92 2h61 h VAL 52 N 0.00 1.35 -0.11 -1.06 2.07 -0.91 -2.23 116.25 115.36 2h61 h VAL 52 Ca 0.00 -1.43 -0.16 0.00 0.82 0.00 0.00 66.70 65.92 2h61 h VAL 52 Cb 0.19 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2h61 h VAL 52 CO 0.00 0.43 -0.64 0.58 0.02 0.00 0.00 177.57 177.96 2h61 h VAL 53 N 0.07 1.36 -0.37 2.57 2.07 -1.62 -2.45 116.25 117.88 2h61 h VAL 53 Ca 0.02 -1.99 0.08 0.00 0.82 0.00 0.00 66.70 65.63 2h61 h VAL 53 Cb 0.79 1.98 -0.07 0.00 -1.52 0.00 0.00 31.29 32.46 2h61 h VAL 53 CO 0.05 0.60 -0.11 0.44 0.02 0.00 0.00 177.57 178.58 2h61 h ASP 54 N 0.29 -0.39 0.12 0.57 3.32 -1.42 0.29 116.42 119.20 2h61 h ASP 54 Ca -0.01 0.12 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 2h61 h ASP 54 Cb 1.18 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.98 2h61 h ASP 54 CO 0.11 -0.14 -0.72 0.07 -1.72 0.00 0.00 179.24 176.84 2h61 h LYS 55 N -0.02 0.53 -0.27 3.56 2.10 -1.35 -1.89 116.57 119.23 2h61 h LYS 55 Ca 0.18 -0.42 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 2h61 h LYS 55 Cb 0.29 0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.70 2h61 h LYS 55 CO -0.39 1.05 0.18 0.28 -2.00 0.00 0.00 179.45 178.56 2h61 h VAL 56 N 0.37 1.07 -0.97 0.07 2.07 -1.01 -2.69 116.25 115.16 2h61 h VAL 56 Ca -0.03 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.40 2h61 h VAL 56 Cb 1.31 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 2h61 h VAL 56 CO 0.13 0.07 0.63 -0.03 0.02 0.00 0.00 177.57 178.39 2h61 h MET 57 N 0.36 1.18 -0.76 1.57 1.85 -0.31 -2.53 114.93 116.29 2h61 h MET 57 Ca 0.10 -0.07 0.13 0.00 -0.61 0.00 0.00 59.70 59.25 2h61 h MET 57 Cb -0.04 -0.27 -0.09 0.00 0.43 0.00 0.00 31.60 31.64 2h61 h MET 57 CO -0.02 0.78 0.34 1.49 -0.40 0.00 0.00 176.91 179.10 2h61 h GLU 58 N 1.21 0.50 -0.22 0.39 4.81 -1.02 -0.06 114.58 120.20 2h61 h GLU 58 Ca 0.39 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.42 2h61 h GLU 58 Cb 0.02 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 2h61 h GLU 58 CO -0.13 0.33 -0.56 1.79 -0.73 0.00 0.00 179.01 179.72 2h61 h THR 59 N 0.52 1.31 0.03 0.32 1.35 -1.23 -3.36 112.91 111.85 2h61 h THR 59 Ca 0.40 -1.78 -0.27 0.00 -0.55 0.00 0.00 66.41 64.21 2h61 h THR 59 Cb 0.56 1.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 2h61 h THR 59 CO -0.36 0.56 -1.44 -0.07 -0.25 0.00 0.00 175.52 173.97 2h61 h LEU 60 N 0.51 0.10 -8.54 3.87 3.38 -0.88 -3.43 115.31 110.32 2h61 h LEU 60 Ca 0.01 -0.15 -0.54 0.00 0.09 0.00 0.00 57.88 57.29 2h61 h LEU 60 Cb 1.12 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 2h61 h LEU 60 CO 0.11 1.13 1.16 -0.62 0.09 0.00 0.00 178.44 180.31 2h61 s ASP 61 N -6.53 5.93 0.00 -0.43 2.15 -0.14 -4.76 116.67 112.89 2h61 s ASP 61 Ca -0.04 0.20 0.16 0.00 0.43 0.00 0.00 52.55 53.30 2h61 s ASP 61 Cb 0.08 -2.54 0.26 0.00 -0.30 0.00 0.00 42.92 40.42 2h61 s ASP 61 CO 0.83 -1.88 1.16 0.59 -0.17 0.00 0.00 175.17 175.69 2h61 n ASN 62 N 10.29 2.77 0.00 -0.34 3.02 -1.26 -4.29 115.26 125.44 2h61 n ASN 62 Ca 0.13 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.87 2h61 n ASN 62 Cb 0.50 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2h61 n ASN 62 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2h61 n ASP 63 N 0.96 1.13 -3.61 6.41 5.68 -1.26 -5.03 116.55 120.83 2h61 n ASP 63 Ca 0.13 -1.15 -0.23 0.00 -0.50 0.00 0.00 54.79 53.03 2h61 n ASP 63 Cb 0.45 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.51 2h61 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h61 n GLY 64 N -0.08 -0.50 0.37 6.12 0.00 -1.26 -4.86 105.19 104.98 2h61 n GLY 64 Ca 0.00 0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.37 2h61 n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2h61 n ASP 65 N -3.02 1.14 -0.19 1.61 5.68 -1.26 -4.92 116.55 115.60 2h61 n ASP 65 Ca -0.05 -1.43 -0.02 0.00 -0.50 0.00 0.00 54.79 52.79 2h61 n ASP 65 Cb 0.58 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.53 2h61 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h61 n GLY 66 N 1.11 0.53 3.38 6.12 0.00 -1.26 -5.02 105.19 110.05 2h61 n GLY 66 Ca 0.19 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 2h61 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h61 s GLU 67 N -1.34 1.45 -0.32 1.61 2.02 -1.26 -4.59 118.70 116.27 2h61 s GLU 67 Ca 0.00 -1.76 -0.07 0.00 0.02 0.00 0.00 54.97 53.16 2h61 s GLU 67 Cb 0.00 -0.77 0.02 0.00 0.10 0.00 0.00 34.13 33.48 2h61 s GLU 67 CO 0.00 -0.10 0.11 0.00 0.02 0.00 0.00 175.26 175.29 2h61 n ASP 69 N 4.87 0.05 -0.04 0.00 5.68 -1.26 -1.08 116.55 124.77 2h61 n ASP 69 Ca -0.13 -1.06 -0.15 0.00 -0.50 0.00 0.00 54.79 52.94 2h61 n ASP 69 Cb 0.46 -0.07 -0.07 0.00 -1.14 0.00 0.00 41.12 40.30 2h61 n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2h61 h PHE 70 N -0.75 0.73 -0.57 2.11 3.57 -1.99 0.31 116.94 120.36 2h61 h PHE 70 Ca -0.03 -0.29 0.10 0.00 3.53 0.00 0.00 57.97 61.28 2h61 h PHE 70 Cb 0.09 -0.12 -0.11 0.00 2.79 0.00 0.00 35.95 38.60 2h61 h PHE 70 CO 0.00 1.06 -0.35 1.96 -2.23 0.00 0.00 178.31 178.75 2h61 h GLN 71 N 0.20 -0.18 -0.51 1.11 1.08 -1.97 0.16 115.11 115.00 2h61 h GLN 71 Ca -0.01 0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 2h61 h GLN 71 Cb 1.07 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.52 2h61 h GLN 71 CO 0.10 -0.12 -0.14 0.93 -0.95 0.00 0.00 178.83 178.64 2h61 h GLU 72 N -0.18 1.00 -1.00 1.46 5.08 -1.76 -2.45 114.58 116.72 2h61 h GLU 72 Ca 0.22 -0.38 0.12 0.00 -1.00 0.00 0.00 59.36 58.31 2h61 h GLU 72 Cb 0.55 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 2h61 h GLU 72 CO -0.66 1.06 0.63 0.35 -1.00 0.00 0.00 179.01 179.39 2h61 h PHE 73 N 0.88 1.15 -0.53 4.33 3.57 0.18 -2.83 116.94 123.69 2h61 h PHE 73 Ca 0.13 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 2h61 h PHE 73 Cb 0.71 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2h61 h PHE 73 CO 0.05 0.46 0.13 0.52 -2.23 0.00 0.00 178.31 177.23 2h61 h MET 74 N 1.00 0.80 -0.69 1.11 2.86 -0.20 -1.41 114.93 118.41 2h61 h MET 74 Ca 0.49 -0.16 0.08 0.00 -2.06 0.00 0.00 59.70 58.05 2h61 h MET 74 Cb 0.48 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 2h61 h MET 74 CO -0.26 0.72 0.36 0.00 1.06 0.00 0.00 176.91 178.80 2h61 h ALA 75 N 1.37 0.94 -0.72 6.32 0.00 -1.44 0.17 119.26 125.90 2h61 h ALA 75 Ca 0.17 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2h61 h ALA 75 Cb 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2h61 h ALA 75 CO -0.00 -0.00 0.31 0.35 0.00 0.00 0.00 179.25 179.90 2h61 h PHE 76 N 0.64 1.07 -0.46 0.00 3.57 -1.21 -1.54 116.94 119.01 2h61 h PHE 76 Ca 0.33 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 2h61 h PHE 76 Cb 0.28 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2h61 h PHE 76 CO -0.09 0.81 0.00 0.28 -2.23 0.00 0.00 178.31 177.08 2h61 h VAL 77 N 1.02 1.26 -0.58 1.41 2.07 -0.79 -0.70 116.25 119.94 2h61 h VAL 77 Ca 0.24 -1.05 0.08 0.00 0.82 0.00 0.00 66.70 66.79 2h61 h VAL 77 Cb 0.18 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2h61 h VAL 77 CO -0.02 0.36 0.24 0.00 0.02 0.00 0.00 177.57 178.17 2h61 h ALA 78 N 0.91 0.75 -0.00 1.67 0.00 -0.49 0.13 119.26 122.23 2h61 h ALA 78 Ca 0.13 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2h61 h ALA 78 Cb 0.50 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2h61 h ALA 78 CO 0.02 -0.16 0.00 1.98 0.00 0.00 0.00 179.25 181.09 2h61 h MET 79 N 0.44 0.00 -0.40 0.00 -1.53 -0.70 0.79 114.93 113.54 2h61 h MET 79 Ca 0.28 -0.00 -0.06 0.00 -3.44 0.00 0.00 59.70 56.48 2h61 h MET 79 Cb 0.31 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 2h61 h MET 79 CO -0.26 0.22 0.00 0.28 0.14 0.00 0.00 176.91 177.28 2h61 h VAL 80 N -0.21 1.26 -0.43 -5.77 2.07 -1.00 -2.00 116.25 110.16 2h61 h VAL 80 Ca 0.00 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 2h61 h VAL 80 Cb 0.21 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2h61 h VAL 80 CO -0.00 0.34 0.16 0.74 0.02 0.00 0.00 177.57 178.83 2h61 h THR 81 N 0.53 1.21 -0.56 2.57 2.02 -0.59 -1.80 112.91 116.29 2h61 h THR 81 Ca 0.11 -0.66 0.07 0.00 0.77 0.00 0.00 66.41 66.70 2h61 h THR 81 Cb 0.47 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 2h61 h THR 81 CO 0.02 0.24 0.25 0.74 0.37 0.00 0.00 175.52 177.14 2h61 h THR 82 N 0.55 0.86 -0.78 3.16 2.02 -0.78 0.14 112.91 118.09 2h61 h THR 82 Ca 0.14 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.19 2h61 h THR 82 Cb 0.22 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 2h61 h THR 82 CO -0.01 0.08 0.50 0.00 0.37 0.00 0.00 175.52 176.46 2h61 h ALA 83 N 1.35 1.02 -0.37 6.16 0.00 -1.05 -1.60 119.26 124.77 2h61 h ALA 83 Ca 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2h61 h ALA 83 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2h61 h ALA 83 CO -0.23 0.31 0.22 0.00 0.00 0.00 0.00 179.25 179.55 2h61 h HIS 85 N 0.49 0.34 -0.18 0.00 6.17 -0.41 -0.14 115.15 121.42 2h61 h HIS 85 Ca 0.13 0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.15 2h61 h HIS 85 Cb 0.00 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 29.85 2h61 h HIS 85 CO -0.04 0.10 -0.29 0.93 0.71 0.00 0.00 177.93 179.34 2h61 h GLU 86 N 0.38 0.35 -0.50 5.26 4.39 -0.89 0.13 114.58 123.70 2h61 h GLU 86 Ca 0.27 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.76 2h61 h GLU 86 Cb 0.32 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2h61 h GLU 86 CO -0.28 0.61 0.00 0.35 -1.16 0.00 0.00 179.01 178.54 2h61 h PHE 87 N 0.31 0.96 0.00 4.33 3.57 -0.28 -2.59 116.94 123.24 2h61 h PHE 87 Ca 0.04 -0.16 -0.08 0.00 3.53 0.00 0.00 57.97 61.30 2h61 h PHE 87 Cb 0.67 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2h61 h PHE 87 CO 0.02 0.90 -0.36 0.74 -2.23 0.00 0.00 178.31 177.37 2h61 h PHE 88 N 0.75 0.00 0.00 0.41 0.04 -0.85 -3.25 116.94 114.04 2h61 h PHE 88 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2h61 h PHE 88 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2h61 h PHE 88 CO 0.04 0.36 0.00 0.39 -0.60 0.00 0.00 178.31 178.50 2h61 n GLU 89 N -3.38 0.12 0.00 1.51 -0.58 0.44 -5.10 120.64 113.65 2h61 n GLU 89 Ca 0.01 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 2h61 n GLU 89 Cb 0.56 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2h61 n GLU 89 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26