#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 4.01 0.29 6.12 1.04 -1.26 -4.86 113.70 119.05 2h61 s SER 1 Ca 0.00 1.16 -0.02 0.00 0.48 0.00 0.00 55.95 57.57 2h61 s SER 1 Cb 0.00 -1.83 0.42 0.00 0.10 0.00 0.00 66.02 64.71 2h61 s SER 1 CO 0.00 -2.25 1.94 -0.33 0.98 0.00 0.00 173.24 173.58 2h61 h GLU 2 N -1.29 1.08 -0.33 4.02 4.39 -2.05 -1.79 114.58 118.61 2h61 h GLU 2 Ca -0.49 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.16 2h61 h GLU 2 Cb 1.30 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 2h61 h GLU 2 CO 0.60 0.74 0.13 1.25 -1.16 0.00 0.00 179.01 180.58 2h61 h LEU 3 N 1.10 0.17 -0.53 1.33 6.46 -1.99 0.15 115.31 122.00 2h61 h LEU 3 Ca 0.29 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.07 2h61 h LEU 3 Cb -0.07 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 2h61 h LEU 3 CO -0.06 0.13 0.32 -0.33 -0.62 0.00 0.00 178.44 177.89 2h61 h GLU 4 N 0.28 0.72 -0.31 1.25 5.08 -1.81 -1.37 114.58 118.42 2h61 h GLU 4 Ca 0.14 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 2h61 h GLU 4 Cb 0.10 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2h61 h GLU 4 CO -0.13 0.52 -0.29 0.87 -1.00 0.00 0.00 179.01 178.98 2h61 h LYS 5 N 0.71 0.64 -0.70 2.33 1.57 -1.21 -2.53 116.57 117.38 2h61 h LYS 5 Ca 0.19 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2h61 h LYS 5 Cb -0.02 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2h61 h LYS 5 CO -0.04 0.86 0.20 0.00 -0.57 0.00 0.00 179.45 179.90 2h61 h ALA 6 N 1.13 1.04 -0.67 3.86 0.00 -0.30 -0.82 119.26 123.50 2h61 h ALA 6 Ca 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2h61 h ALA 6 Cb 0.78 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2h61 h ALA 6 CO 0.06 0.64 0.34 0.52 0.00 0.00 0.00 179.25 180.82 2h61 h MET 7 N 1.04 0.94 -0.13 0.00 2.86 -0.85 -2.00 114.93 116.79 2h61 h MET 7 Ca 0.22 -0.11 -0.18 0.00 -2.06 0.00 0.00 59.70 57.57 2h61 h MET 7 Cb 0.32 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2h61 h MET 7 CO -0.00 0.71 -0.65 0.28 1.06 0.00 0.00 176.91 178.31 2h61 h VAL 8 N 0.94 1.35 -0.55 -2.22 2.07 -1.21 -2.56 116.25 114.07 2h61 h VAL 8 Ca 0.24 -1.97 0.04 0.00 0.82 0.00 0.00 66.70 65.82 2h61 h VAL 8 Cb 0.07 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2h61 h VAL 8 CO -0.03 0.60 0.37 0.00 0.02 0.00 0.00 177.57 178.52 2h61 h ALA 9 N 0.94 1.75 -0.35 1.67 0.00 -0.54 0.37 119.26 123.08 2h61 h ALA 9 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2h61 h ALA 9 Cb 1.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2h61 h ALA 9 CO 0.12 0.19 0.02 -0.07 0.00 0.00 0.00 179.25 179.50 2h61 h LEU 10 N 0.62 0.59 -0.68 0.00 3.38 -1.00 -1.20 115.31 117.03 2h61 h LEU 10 Ca 0.22 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2h61 h LEU 10 Cb 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2h61 h LEU 10 CO -0.06 0.74 0.41 0.40 0.09 0.00 0.00 178.44 180.03 2h61 h ILE 11 N 0.43 1.19 -0.32 1.22 2.04 -1.07 -2.59 117.51 118.40 2h61 h ILE 11 Ca 0.10 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2h61 h ILE 11 Cb 0.43 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2h61 h ILE 11 CO 0.01 0.20 0.01 0.44 0.00 0.00 0.00 178.15 178.81 2h61 h ASP 12 N 0.92 0.54 -0.35 1.72 3.45 -0.74 -1.83 116.42 120.13 2h61 h ASP 12 Ca 0.24 -0.30 -0.11 0.00 0.43 0.00 0.00 57.03 57.30 2h61 h ASP 12 Cb -0.04 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.57 2h61 h ASP 12 CO -0.05 0.71 -0.17 1.62 -1.57 0.00 0.00 179.24 179.78 2h61 h VAL 13 N 0.36 1.27 0.05 -1.35 3.04 -1.24 -0.39 116.25 117.99 2h61 h VAL 13 Ca 0.09 -1.28 0.03 0.00 -1.01 0.00 0.00 66.70 64.53 2h61 h VAL 13 Cb 0.43 1.12 -0.04 0.00 -2.01 0.00 0.00 31.29 30.78 2h61 h VAL 13 CO 0.01 0.43 -0.31 0.15 -1.01 0.00 0.00 177.57 176.85 2h61 h PHE 14 N 0.73 -0.83 -0.09 3.17 3.57 -1.34 -2.30 116.94 119.84 2h61 h PHE 14 Ca 0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2h61 h PHE 14 Cb 0.68 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2h61 h PHE 14 CO 0.04 -0.40 -0.28 0.45 -2.23 0.00 0.00 178.31 175.88 2h61 h HIS 15 N -0.48 0.18 -0.87 0.41 3.86 -1.18 0.45 115.15 117.50 2h61 h HIS 15 Ca 0.05 -0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.34 2h61 h HIS 15 Cb 0.55 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.89 2h61 h HIS 15 CO -0.31 0.43 0.50 0.37 0.86 0.00 0.00 177.93 179.78 2h61 h GLN 16 N 0.14 0.77 0.00 2.45 4.15 -0.68 -2.31 115.11 119.63 2h61 h GLN 16 Ca 0.02 -0.05 -0.27 0.00 0.77 0.00 0.00 58.65 59.12 2h61 h GLN 16 Cb 0.58 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 2h61 h GLN 16 CO 0.04 0.51 -1.91 0.66 -1.93 0.00 0.00 178.83 176.21 2h61 n TYR 17 N -4.75 0.58 0.19 3.99 4.02 -0.90 -4.36 117.16 115.93 2h61 n TYR 17 Ca 0.16 0.20 0.05 0.00 -0.01 0.00 0.00 57.90 58.30 2h61 n TYR 17 Cb 0.34 -1.06 0.37 0.00 -0.02 0.00 0.00 39.34 38.97 2h61 n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2h61 h SER 18 N 0.00 0.00 -0.20 7.72 4.64 0.09 -3.03 113.55 122.76 2h61 h SER 18 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2h61 h SER 18 Cb 1.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 2h61 h SER 18 CO 0.05 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 2h61 n GLY 19 N -0.09 0.54 0.10 -0.77 0.00 -0.89 -4.14 105.19 99.95 2h61 n GLY 19 Ca -0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 2h61 n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2h61 h ARG 20 N 2.64 0.23 -3.83 1.61 3.08 -1.75 -3.47 114.38 112.90 2h61 h ARG 20 Ca 0.00 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 2h61 h ARG 20 Cb 0.58 -0.03 -0.21 0.00 0.08 0.00 0.00 29.97 30.39 2h61 h ARG 20 CO 0.00 0.40 -0.64 -1.21 -1.07 0.00 0.00 179.97 177.46 2h61 s GLU 21 N -5.21 0.35 5.65 0.04 2.02 -1.26 -5.10 118.70 115.19 2h61 s GLU 21 Ca -0.14 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.33 2h61 s GLU 21 Cb 0.06 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2h61 s GLU 21 CO 0.70 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.33 2h61 n GLY 22 N 1.62 2.97 3.68 -1.39 0.00 -1.26 -4.42 105.19 106.38 2h61 n GLY 22 Ca -0.23 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 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 1.69 3.80 0.00 1.61 -0.08 -1.26 -4.83 116.55 117.48 2h61 n ASP 23 Ca 0.00 0.98 0.12 0.00 -1.51 0.00 0.00 54.79 54.38 2h61 n ASP 23 Cb 0.00 -1.48 0.54 0.00 2.34 0.00 0.00 41.12 42.51 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 5.96 0.05 -0.06 -0.67 4.76 -1.26 -3.26 118.16 123.68 2h61 n LYS 24 Ca 0.19 0.07 0.07 0.00 -2.87 0.00 0.00 58.31 55.78 2h61 n LYS 24 Cb 0.35 -1.50 0.09 0.00 -1.84 0.00 0.00 35.03 32.13 2h61 n LYS 24 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2h61 n HIS 25 N -1.47 0.15 -4.18 2.13 8.25 -1.26 -3.46 115.22 115.37 2h61 n HIS 25 Ca 0.07 -0.12 -0.13 0.00 -0.26 0.00 0.00 57.72 57.28 2h61 n HIS 25 Cb 0.28 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.15 0.87 -0.25 -0.41 1.02 -1.20 -4.35 119.74 114.26 2h61 s LYS 26 Ca 0.20 -1.27 -0.09 0.00 0.02 0.00 0.00 55.97 54.83 2h61 s LYS 26 Cb 0.13 -0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.00 2h61 s LYS 26 CO 0.19 0.04 0.12 -0.51 -0.92 0.00 0.00 175.35 174.26 2h61 s LEU 27 N -2.81 3.77 0.66 3.17 1.43 -0.15 -4.62 118.68 120.13 2h61 s LEU 27 Ca 0.10 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.03 2h61 s LEU 27 Cb 0.01 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.22 2h61 s LEU 27 CO -0.02 -0.01 1.03 -1.59 0.23 0.00 0.00 176.35 176.00 2h61 s LYS 28 N 1.47 2.93 0.31 1.70 -2.85 -1.26 -0.79 119.74 121.25 2h61 s LYS 28 Ca 0.06 0.34 0.07 0.00 -1.00 0.00 0.00 55.97 55.44 2h61 s LYS 28 Cb -0.15 -2.10 0.77 0.00 -2.06 0.00 0.00 37.83 34.29 2h61 s LYS 28 CO 0.06 -0.90 1.77 0.87 0.10 0.00 0.00 175.35 177.25 2h61 h LYS 29 N -0.48 0.70 -0.72 1.78 1.57 -1.97 -1.51 116.57 115.94 2h61 h LYS 29 Ca -0.45 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.24 2h61 h LYS 29 Cb 1.25 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2h61 h LYS 29 CO 0.63 0.47 0.27 0.66 -0.57 0.00 0.00 179.45 180.90 2h61 h SER 30 N 0.73 1.01 -0.30 0.86 4.64 -1.99 0.65 113.55 119.15 2h61 h SER 30 Ca 0.59 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.67 2h61 h SER 30 Cb 0.97 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2h61 h SER 30 CO -0.40 0.92 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.12 2h61 h GLU 31 N 1.04 0.54 -0.41 4.77 5.08 -1.68 -1.57 114.58 122.35 2h61 h GLU 31 Ca 0.24 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2h61 h GLU 31 Cb 0.24 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2h61 h GLU 31 CO -0.02 0.71 0.23 1.25 -1.00 0.00 0.00 179.01 180.19 2h61 h LEU 32 N 0.32 0.51 -0.23 1.33 6.46 -1.00 -0.49 115.31 122.20 2h61 h LEU 32 Ca 0.08 -0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.82 2h61 h LEU 32 Cb 0.48 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.23 2h61 h LEU 32 CO 0.02 0.43 -0.13 0.50 -0.62 0.00 0.00 178.44 178.65 2h61 h LYS 33 N 0.54 -0.11 -0.64 1.25 3.64 -0.73 -0.96 116.57 119.55 2h61 h LYS 33 Ca 0.15 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2h61 h LYS 33 Cb 0.03 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2h61 h LYS 33 CO -0.02 -0.07 0.12 0.93 -2.27 0.00 0.00 179.45 178.13 2h61 h GLU 34 N -0.11 1.04 -0.03 1.90 4.39 -0.93 0.13 114.58 120.97 2h61 h GLU 34 Ca 0.13 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.60 2h61 h GLU 34 Cb 0.30 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2h61 h GLU 34 CO -0.30 0.95 -0.16 1.25 -1.16 0.00 0.00 179.01 179.58 2h61 h LEU 35 N 0.98 -0.48 -0.15 1.33 6.46 -0.84 0.35 115.31 122.96 2h61 h LEU 35 Ca 0.20 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 58.03 2h61 h LEU 35 Cb 0.40 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 2h61 h LEU 35 CO 0.01 -0.22 0.09 0.40 -0.62 0.00 0.00 178.44 178.10 2h61 h ILE 36 N -0.25 1.07 -0.28 4.05 2.04 -0.38 0.01 117.51 123.77 2h61 h ILE 36 Ca 0.06 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 2h61 h ILE 36 Cb 0.34 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2h61 h ILE 36 CO -0.18 0.07 -0.01 0.78 0.00 0.00 0.00 178.15 178.81 2h61 h ASN 37 N 0.17 0.38 0.00 1.72 -0.26 -0.64 -1.67 115.58 115.28 2h61 h ASN 37 Ca 0.05 -0.06 -0.10 0.00 -0.56 0.00 0.00 56.30 55.63 2h61 h ASN 37 Cb 0.03 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 2h61 h ASN 37 CO -0.01 0.46 -2.01 0.59 -1.06 0.00 0.00 177.43 175.39 2h61 n ASN 38 N -4.31 0.44 -0.00 5.81 4.13 0.10 -4.31 115.26 117.11 2h61 n ASN 38 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 2h61 n ASN 38 Cb 0.22 1.64 -0.00 0.00 -1.54 0.00 0.00 39.78 40.10 2h61 n ASN 38 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2h61 n GLU 39 N -2.33 6.03 -0.41 3.52 -0.58 -0.03 -4.56 120.64 122.28 2h61 n GLU 39 Ca -0.11 -0.05 0.06 0.00 -0.42 0.00 0.00 57.16 56.64 2h61 n GLU 39 Cb 0.69 -0.59 0.19 0.00 -0.57 0.00 0.00 31.44 31.16 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 -0.93 3.08 0.32 -4.62 4.77 -0.63 -4.82 117.00 114.16 2h61 n LEU 40 Ca 0.00 -3.41 0.20 0.00 -0.03 0.00 0.00 56.01 52.78 2h61 n LEU 40 Cb 0.02 -0.52 1.07 0.00 -2.33 0.00 0.00 43.42 41.67 2h61 n LEU 40 CO 0.02 0.98 1.14 0.77 -1.33 0.00 0.00 177.39 178.97 2h61 h SER 41 N 0.79 0.00 0.09 -1.43 4.64 -1.75 0.10 113.55 115.98 2h61 h SER 41 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2h61 h SER 41 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2h61 h SER 41 CO 0.12 0.01 -0.66 1.41 -0.87 0.00 0.00 176.83 176.83 2h61 n HIS 42 N -3.27 0.00 -0.04 4.77 8.25 -1.26 -4.48 115.22 119.20 2h61 n HIS 42 Ca -0.03 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 2h61 n HIS 42 Cb 0.11 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.88 0.00 -4.27 4.41 3.01 -0.43 -5.04 117.46 114.26 2h61 n PHE 43 Ca 0.07 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.36 2h61 n PHE 43 Cb 0.38 -0.37 -0.14 0.00 -0.01 0.00 0.00 39.48 39.34 2h61 n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2h61 s LEU 44 N -4.56 2.05 0.30 4.37 1.43 0.22 -5.11 118.68 117.38 2h61 s LEU 44 Ca -0.04 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 2h61 s LEU 44 Cb 0.02 -0.38 -0.10 0.00 0.03 0.00 0.00 46.19 45.76 2h61 s LEU 44 CO 0.31 0.06 1.27 -1.61 0.23 0.00 0.00 176.35 176.60 2h61 s GLU 45 N -0.37 4.42 0.10 1.70 0.41 -1.26 -4.51 118.70 119.19 2h61 s GLU 45 Ca 0.02 2.10 -0.35 0.00 -0.41 0.00 0.00 54.97 56.33 2h61 s GLU 45 Cb -0.04 -3.12 -0.18 0.00 -1.78 0.00 0.00 34.13 29.01 2h61 s GLU 45 CO -0.00 -0.12 0.96 -1.91 -0.49 0.00 0.00 175.26 173.70 2h61 n GLU 46 N 1.23 0.37 -3.49 1.61 2.13 -1.26 -4.99 120.64 116.25 2h61 n GLU 46 Ca 0.01 0.13 -0.37 0.00 0.66 0.00 0.00 57.16 57.59 2h61 n GLU 46 Cb 0.43 -1.51 -0.06 0.00 0.27 0.00 0.00 31.44 30.56 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 -0.30 5.22 0.00 6.31 1.01 -1.26 -4.95 121.20 127.23 2h61 s ILE 47 Ca 0.79 0.71 0.00 0.00 0.00 0.00 0.00 60.65 62.14 2h61 s ILE 47 Cb -1.05 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 37.73 2h61 s ILE 47 CO 0.55 0.43 0.21 2.29 0.00 0.00 0.00 174.94 178.42 2h61 n LYS 48 N 3.10 0.02 -4.54 2.79 2.85 -1.26 -4.97 118.16 116.14 2h61 n LYS 48 Ca -0.11 -0.22 -0.33 0.00 -1.05 0.00 0.00 58.31 56.59 2h61 n LYS 48 Cb 0.52 -0.56 -0.16 0.00 -0.65 0.00 0.00 35.03 34.18 2h61 n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2h61 s GLU 49 N -0.04 3.12 0.07 -1.58 2.02 -1.26 -5.03 118.70 116.00 2h61 s GLU 49 Ca 0.00 -0.80 -0.07 0.00 0.02 0.00 0.00 54.97 54.12 2h61 s GLU 49 Cb 0.00 -2.55 0.05 0.00 0.10 0.00 0.00 34.13 31.73 2h61 s GLU 49 CO 0.00 -0.02 0.50 0.94 0.02 0.00 0.00 175.26 176.70 2h61 n GLN 50 N 4.13 -0.10 0.12 1.61 -0.06 -1.26 -1.07 117.38 120.75 2h61 n GLN 50 Ca -0.20 0.49 0.02 0.00 -2.00 0.00 0.00 57.00 55.31 2h61 n GLN 50 Cb 0.51 -0.73 0.36 0.00 -4.06 0.00 0.00 30.24 26.32 2h61 n GLN 50 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 2h61 h GLU 51 N 0.00 0.23 -0.12 3.69 3.07 -1.97 0.37 114.58 119.85 2h61 h GLU 51 Ca 0.09 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.84 2h61 h GLU 51 Cb 0.17 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 2h61 h GLU 51 CO -0.31 0.42 -0.10 0.28 -1.40 0.00 0.00 179.01 177.90 2h61 h VAL 52 N 0.22 1.34 -0.03 3.13 2.07 -1.53 0.17 116.25 121.62 2h61 h VAL 52 Ca 0.04 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.36 2h61 h VAL 52 Cb 0.46 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2h61 h VAL 52 CO 0.03 0.35 -0.10 0.58 0.02 0.00 0.00 177.57 178.46 2h61 h VAL 53 N -0.09 0.75 -0.97 2.57 2.07 -1.18 0.62 116.25 120.02 2h61 h VAL 53 Ca 0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.64 2h61 h VAL 53 Cb 0.61 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 2h61 h VAL 53 CO 0.03 0.00 0.62 0.44 0.02 0.00 0.00 177.57 178.68 2h61 h ASP 54 N -0.15 0.92 -0.20 0.57 3.32 -0.15 0.17 116.42 120.90 2h61 h ASP 54 Ca 0.05 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2h61 h ASP 54 Cb 0.21 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2h61 h ASP 54 CO -0.12 0.54 -0.21 0.50 -1.72 0.00 0.00 179.24 178.23 2h61 h LYS 55 N 1.02 0.49 -0.25 3.56 3.64 -0.18 -0.17 116.57 124.69 2h61 h LYS 55 Ca 0.45 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2h61 h LYS 55 Cb 0.36 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2h61 h LYS 55 CO -0.21 0.85 0.09 0.28 -2.27 0.00 0.00 179.45 178.20 2h61 h VAL 56 N 0.16 1.17 -0.36 2.00 2.07 -0.25 -2.47 116.25 118.58 2h61 h VAL 56 Ca 0.03 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2h61 h VAL 56 Cb 0.77 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2h61 h VAL 56 CO 0.05 0.18 0.15 -0.03 0.02 0.00 0.00 177.57 177.94 2h61 h MET 57 N 0.24 0.53 -0.23 1.57 1.85 -0.61 -1.69 114.93 116.59 2h61 h MET 57 Ca 0.08 -0.09 0.07 0.00 -0.61 0.00 0.00 59.70 59.15 2h61 h MET 57 Cb 0.19 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 2h61 h MET 57 CO -0.01 0.50 0.17 1.49 -0.40 0.00 0.00 176.91 178.66 2h61 h GLU 58 N 0.43 0.00 -0.27 0.39 4.57 -0.93 0.16 114.58 118.93 2h61 h GLU 58 Ca 0.12 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.12 2h61 h GLU 58 Cb 0.16 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2h61 h GLU 58 CO -0.01 0.00 -0.54 1.15 -1.18 0.00 0.00 179.01 178.43 2h61 h THR 59 N 0.00 1.28 0.02 0.32 2.02 -0.95 -3.29 112.91 112.30 2h61 h THR 59 Ca 0.11 -1.73 -0.28 0.00 0.77 0.00 0.00 66.41 65.27 2h61 h THR 59 Cb 0.44 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 2h61 h THR 59 CO -0.00 0.56 -1.59 -0.07 0.37 0.00 0.00 175.52 174.79 2h61 h LEU 60 N 0.63 0.07 -8.36 2.58 3.38 -0.37 -3.44 115.31 109.80 2h61 h LEU 60 Ca 0.02 -0.12 -0.38 0.00 0.09 0.00 0.00 57.88 57.49 2h61 h LEU 60 Cb 1.13 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2h61 h LEU 60 CO 0.12 1.10 1.01 -0.62 0.09 0.00 0.00 178.44 180.14 2h61 s ASP 61 N -6.35 5.14 0.21 -0.43 2.15 0.47 -4.79 116.67 113.07 2h61 s ASP 61 Ca -0.05 -0.16 0.22 0.00 0.43 0.00 0.00 52.55 52.98 2h61 s ASP 61 Cb 0.08 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.17 2h61 s ASP 61 CO 0.82 -2.62 1.07 0.78 -0.17 0.00 0.00 175.17 175.05 2h61 h ASN 62 N 13.19 0.00 -0.03 -0.34 2.35 -1.87 -3.38 115.58 125.50 2h61 h ASN 62 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2h61 h ASN 62 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2h61 h ASN 62 CO 1.21 0.08 0.00 -0.90 -1.65 0.00 0.00 177.43 176.17 2h61 n ASP 63 N -2.75 2.93 -0.08 5.81 5.68 -1.26 -5.00 116.55 121.89 2h61 n ASP 63 Ca -0.01 -1.98 -0.01 0.00 -0.50 0.00 0.00 54.79 52.30 2h61 n ASP 63 Cb 0.59 -0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.56 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 1.34 0.43 0.33 6.12 0.00 -1.26 -4.93 105.19 107.22 2h61 n GLY 64 Ca 0.14 -1.01 0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 1.85 1.18 -0.71 1.61 5.68 -1.26 -4.94 116.55 119.96 2h61 n ASP 65 Ca -0.01 -1.11 -0.09 0.00 -0.50 0.00 0.00 54.79 53.08 2h61 n ASP 65 Cb 0.13 0.07 -0.04 0.00 -1.14 0.00 0.00 41.12 40.14 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 1.27 1.09 3.28 6.12 0.00 -1.26 -5.02 105.19 110.67 2h61 n GLY 66 Ca 0.15 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.71 1.31 -0.33 1.61 2.02 -1.26 -4.60 118.70 114.73 2h61 s GLU 67 Ca 0.00 -1.69 -0.04 0.00 0.02 0.00 0.00 54.97 53.26 2h61 s GLU 67 Cb 0.00 -0.15 0.06 0.00 0.10 0.00 0.00 34.13 34.14 2h61 s GLU 67 CO 0.00 -0.28 0.08 0.00 0.02 0.00 0.00 175.26 175.07 2h61 n ASP 69 N 4.68 0.08 -0.00 0.00 5.68 -1.26 -0.97 116.55 124.76 2h61 n ASP 69 Ca -0.11 -1.25 -0.18 0.00 -0.50 0.00 0.00 54.79 52.75 2h61 n ASP 69 Cb 0.43 -0.49 -0.08 0.00 -1.14 0.00 0.00 41.12 39.84 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 -1.34 1.06 -0.41 2.11 3.57 -2.00 -0.09 116.94 119.86 2h61 h PHE 70 Ca -0.21 -0.51 0.06 0.00 3.53 0.00 0.00 57.97 60.85 2h61 h PHE 70 Cb 0.58 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.12 2h61 h PHE 70 CO 0.00 1.34 0.08 0.37 -2.23 0.00 0.00 178.31 177.87 2h61 h GLN 71 N 0.49 0.20 -0.75 1.11 4.15 -1.97 -1.29 115.11 117.05 2h61 h GLN 71 Ca -0.08 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2h61 h GLN 71 Cb 1.50 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 29.11 2h61 h GLN 71 CO 0.18 0.13 0.48 0.93 -1.93 0.00 0.00 178.83 178.62 2h61 h GLU 72 N 0.21 1.00 -0.99 1.69 5.08 -1.82 -2.61 114.58 117.15 2h61 h GLU 72 Ca 0.20 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2h61 h GLU 72 Cb 0.24 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2h61 h GLU 72 CO -0.26 0.68 0.65 0.35 -1.00 0.00 0.00 179.01 179.43 2h61 h PHE 73 N 1.03 1.22 -0.08 4.33 3.57 -0.53 -1.41 116.94 125.07 2h61 h PHE 73 Ca 0.27 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.83 2h61 h PHE 73 Cb -0.09 -0.41 -0.00 0.00 2.79 0.00 0.00 35.95 38.24 2h61 h PHE 73 CO -0.02 0.74 0.06 0.52 -2.23 0.00 0.00 178.31 177.38 2h61 h MET 74 N 1.29 0.00 -0.28 1.11 2.86 -0.86 0.06 114.93 119.11 2h61 h MET 74 Ca 0.38 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.89 2h61 h MET 74 Cb -0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 2h61 h MET 74 CO -0.10 0.00 -0.35 0.00 1.06 0.00 0.00 176.91 177.52 2h61 h ALA 75 N 1.96 0.42 -0.20 6.32 0.00 -1.12 -0.55 119.26 126.08 2h61 h ALA 75 Ca 0.04 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.58 2h61 h ALA 75 Cb 0.16 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2h61 h ALA 75 CO -0.00 0.48 -0.21 0.35 0.00 0.00 0.00 179.25 179.87 2h61 h PHE 76 N 0.47 -0.54 -0.52 0.00 3.57 -1.20 0.54 116.94 119.26 2h61 h PHE 76 Ca 0.04 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.64 2h61 h PHE 76 Cb 0.93 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 2h61 h PHE 76 CO 0.08 -0.28 0.18 0.28 -2.23 0.00 0.00 178.31 176.33 2h61 h VAL 77 N -0.23 0.81 -0.24 1.41 2.07 -0.96 -0.35 116.25 118.76 2h61 h VAL 77 Ca 0.12 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2h61 h VAL 77 Cb 0.41 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2h61 h VAL 77 CO -0.34 0.06 0.10 0.00 0.02 0.00 0.00 177.57 177.42 2h61 h ALA 78 N 1.36 0.28 -0.17 1.67 0.00 -0.76 0.75 119.26 122.38 2h61 h ALA 78 Ca 0.25 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.21 2h61 h ALA 78 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2h61 h ALA 78 CO -0.27 -0.31 0.00 1.98 0.00 0.00 0.00 179.25 180.66 2h61 h MET 79 N 0.22 0.06 -0.54 0.00 -1.53 -0.23 -1.30 114.93 111.60 2h61 h MET 79 Ca 0.10 -0.00 -0.07 0.00 -3.44 0.00 0.00 59.70 56.29 2h61 h MET 79 Cb 0.06 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.07 2h61 h MET 79 CO -0.09 0.04 0.06 0.28 0.14 0.00 0.00 176.91 177.33 2h61 h VAL 80 N 0.06 1.26 -0.35 -5.77 2.07 -0.42 -2.38 116.25 110.72 2h61 h VAL 80 Ca 0.08 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 2h61 h VAL 80 Cb 0.10 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2h61 h VAL 80 CO -0.13 0.36 -0.05 0.74 0.02 0.00 0.00 177.57 178.51 2h61 h THR 81 N 0.80 1.27 -0.85 2.57 2.02 -0.73 -0.87 112.91 117.11 2h61 h THR 81 Ca 0.16 -1.08 0.08 0.00 0.77 0.00 0.00 66.41 66.34 2h61 h THR 81 Cb 0.45 1.26 -0.07 0.00 -1.74 0.00 0.00 68.15 68.05 2h61 h THR 81 CO 0.02 0.35 0.51 0.74 0.37 0.00 0.00 175.52 177.51 2h61 h THR 82 N 0.45 0.98 -0.69 3.16 2.02 -1.16 0.43 112.91 118.10 2h61 h THR 82 Ca 0.09 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.99 2h61 h THR 82 Cb 0.53 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 2h61 h THR 82 CO 0.03 0.16 0.43 0.00 0.37 0.00 0.00 175.52 176.51 2h61 h ALA 83 N 1.43 0.89 -0.25 6.16 0.00 -1.03 -1.65 119.26 124.83 2h61 h ALA 83 Ca 0.39 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 2h61 h ALA 83 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2h61 h ALA 83 CO -0.21 0.22 -0.14 0.00 0.00 0.00 0.00 179.25 179.12 2h61 h HIS 85 N 0.25 0.31 -0.09 0.00 6.17 0.01 -1.61 115.15 120.19 2h61 h HIS 85 Ca 0.05 0.01 -0.17 0.00 0.71 0.00 0.00 60.37 60.98 2h61 h HIS 85 Cb 0.66 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.48 2h61 h HIS 85 CO 0.07 0.12 -0.65 0.93 0.71 0.00 0.00 177.93 179.10 2h61 h GLU 86 N 0.27 0.37 -0.33 5.26 5.08 -1.13 -2.23 114.58 121.86 2h61 h GLU 86 Ca 0.34 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2h61 h GLU 86 Cb 0.96 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2h61 h GLU 86 CO -0.08 0.89 0.11 0.74 -1.00 0.00 0.00 179.01 179.67 2h61 h PHE 87 N 0.27 0.47 0.00 4.33 -1.00 -1.24 -2.81 116.94 116.96 2h61 h PHE 87 Ca -0.01 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.75 2h61 h PHE 87 Cb 1.19 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.61 2h61 h PHE 87 CO 0.04 0.39 -0.43 1.19 -1.61 0.00 0.00 178.31 177.88 2h61 n PHE 88 N -4.38 0.17 -3.06 -0.55 0.99 -1.11 -4.53 117.46 104.98 2h61 n PHE 88 Ca 0.02 0.05 -0.45 0.00 -0.00 0.00 0.00 57.45 57.07 2h61 n PHE 88 Cb 0.15 -0.42 -0.03 0.00 -1.00 0.00 0.00 39.48 38.19 2h61 n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2h61 s GLU 89 N -3.05 3.39 0.00 -1.08 0.41 -0.85 -5.11 118.70 112.42 2h61 s GLU 89 Ca 0.10 -1.70 0.00 0.00 -0.41 0.00 0.00 54.97 52.96 2h61 s GLU 89 Cb 0.17 -4.56 0.00 0.00 -1.78 0.00 0.00 34.13 27.96 2h61 s GLU 89 CO 0.67 -1.61 0.00 -2.39 -0.49 0.00 0.00 175.26 171.45