#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 3.18 0.28 7.83 1.04 -1.26 -4.82 113.70 119.95 2h61 s SER 1 Ca 0.00 1.32 -0.02 0.00 0.48 0.00 0.00 55.95 57.73 2h61 s SER 1 Cb 0.00 -1.99 0.41 0.00 0.10 0.00 0.00 66.02 64.54 2h61 s SER 1 CO 0.00 -2.80 1.89 -0.33 0.98 0.00 0.00 173.24 172.98 2h61 h GLU 2 N -1.66 0.98 -0.31 4.02 4.39 -2.05 -1.17 114.58 118.78 2h61 h GLU 2 Ca -0.51 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.06 2h61 h GLU 2 Cb 1.30 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2h61 h GLU 2 CO 0.57 0.75 0.18 1.25 -1.16 0.00 0.00 179.01 180.60 2h61 h LEU 3 N 0.98 0.38 -0.59 1.33 5.85 -1.99 -0.70 115.31 120.57 2h61 h LEU 3 Ca 0.24 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2h61 h LEU 3 Cb 0.09 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2h61 h LEU 3 CO -0.03 0.33 0.29 -0.33 -0.34 0.00 0.00 178.44 178.37 2h61 h GLU 4 N 0.40 0.85 -0.62 1.25 5.08 -1.83 -1.16 114.58 118.55 2h61 h GLU 4 Ca 0.11 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2h61 h GLU 4 Cb 0.03 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2h61 h GLU 4 CO -0.02 0.68 0.24 0.87 -1.00 0.00 0.00 179.01 179.77 2h61 h LYS 5 N 0.81 0.91 -0.62 2.33 1.57 -1.18 -2.34 116.57 118.04 2h61 h LYS 5 Ca 0.20 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2h61 h LYS 5 Cb 0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2h61 h LYS 5 CO -0.03 0.75 0.12 0.00 -0.57 0.00 0.00 179.45 179.72 2h61 h ALA 6 N 1.37 0.83 -0.56 3.86 0.00 -0.72 -0.19 119.26 123.85 2h61 h ALA 6 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2h61 h ALA 6 Cb 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2h61 h ALA 6 CO -0.02 0.57 0.25 0.52 0.00 0.00 0.00 179.25 180.58 2h61 h MET 7 N 0.93 0.81 -0.51 0.00 2.86 -1.01 -2.19 114.93 115.83 2h61 h MET 7 Ca 0.19 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2h61 h MET 7 Cb 0.41 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2h61 h MET 7 CO 0.01 0.67 0.09 0.28 1.06 0.00 0.00 176.91 179.02 2h61 h VAL 8 N 0.75 1.23 -0.20 -2.22 2.07 -1.20 -2.59 116.25 114.08 2h61 h VAL 8 Ca 0.19 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 2h61 h VAL 8 Cb 0.14 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2h61 h VAL 8 CO -0.02 0.31 -0.10 0.00 0.02 0.00 0.00 177.57 177.78 2h61 h ALA 9 N 1.34 1.45 -0.26 1.67 0.00 -0.61 0.14 119.26 122.99 2h61 h ALA 9 Ca 0.16 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2h61 h ALA 9 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2h61 h ALA 9 CO 0.00 0.39 -0.07 -0.07 0.00 0.00 0.00 179.25 179.50 2h61 h LEU 10 N 0.31 0.52 -0.02 0.00 3.38 -1.04 -1.31 115.31 117.15 2h61 h LEU 10 Ca 0.06 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.67 2h61 h LEU 10 Cb 0.38 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2h61 h LEU 10 CO 0.02 0.77 -0.04 0.40 0.09 0.00 0.00 178.44 179.68 2h61 h ILE 11 N 0.26 0.89 -0.82 1.22 2.04 -1.14 -1.76 117.51 118.19 2h61 h ILE 11 Ca 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 2h61 h ILE 11 Cb 0.55 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 2h61 h ILE 11 CO 0.03 0.00 0.40 0.44 0.00 0.00 0.00 178.15 179.02 2h61 h ASP 12 N -0.06 1.07 -0.08 1.72 3.45 -0.62 -2.23 116.42 119.67 2h61 h ASP 12 Ca 0.02 -0.13 -0.15 0.00 0.43 0.00 0.00 57.03 57.20 2h61 h ASP 12 Cb 0.10 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 2h61 h ASP 12 CO -0.06 0.90 -0.47 1.62 -1.57 0.00 0.00 179.24 179.66 2h61 h VAL 13 N 1.16 1.30 -0.66 -1.35 3.04 -1.25 0.67 116.25 119.16 2h61 h VAL 13 Ca 0.28 -1.67 0.04 0.00 -1.01 0.00 0.00 66.70 64.34 2h61 h VAL 13 Cb 0.10 1.62 -0.05 0.00 -2.01 0.00 0.00 31.29 30.96 2h61 h VAL 13 CO -0.04 0.53 0.40 0.15 -1.01 0.00 0.00 177.57 177.60 2h61 h PHE 14 N 0.51 0.74 0.02 3.17 3.57 -1.01 -2.76 116.94 121.19 2h61 h PHE 14 Ca 0.03 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.34 2h61 h PHE 14 Cb 1.01 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2h61 h PHE 14 CO 0.05 0.40 -0.98 0.45 -2.23 0.00 0.00 178.31 176.00 2h61 h HIS 15 N 0.77 0.14 -0.86 0.41 3.86 -1.24 0.35 115.15 118.58 2h61 h HIS 15 Ca 0.28 -0.09 0.20 0.00 -1.16 0.00 0.00 60.37 59.60 2h61 h HIS 15 Cb 0.08 -0.01 -0.12 0.00 1.06 0.00 0.00 27.41 28.42 2h61 h HIS 15 CO -0.06 1.01 0.36 0.37 0.86 0.00 0.00 177.93 180.47 2h61 h GLN 16 N 0.03 0.39 0.11 2.45 4.15 -0.63 -1.69 115.11 119.92 2h61 h GLN 16 Ca -0.04 -0.02 -0.34 0.00 0.77 0.00 0.00 58.65 59.02 2h61 h GLN 16 Cb 1.69 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 29.27 2h61 h GLN 16 CO 0.14 0.26 -1.86 1.88 -1.93 0.00 0.00 178.83 177.31 2h61 h TYR 17 N 0.40 0.41 -0.03 3.99 -1.99 -1.32 -3.39 116.97 115.04 2h61 h TYR 17 Ca 0.52 -0.30 -0.09 0.00 2.00 0.00 0.00 58.73 60.86 2h61 h TYR 17 Cb 0.96 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.66 2h61 h TYR 17 CO -0.16 1.57 -0.41 0.66 -0.00 0.00 0.00 178.16 179.83 2h61 h SER 18 N 0.06 0.06 -0.11 3.88 4.64 -0.16 -2.80 113.55 119.12 2h61 h SER 18 Ca -0.37 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2h61 h SER 18 Cb 2.04 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 64.11 2h61 h SER 18 CO 0.11 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 2h61 n GLY 19 N -0.31 -0.39 0.14 -0.77 0.00 -0.65 -4.17 105.19 99.05 2h61 n GLY 19 Ca -0.02 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 0.88 0.40 -4.53 1.61 3.08 -1.70 -3.46 114.38 110.64 2h61 h ARG 20 Ca 0.00 -0.25 -0.33 0.00 0.07 0.00 0.00 59.98 59.47 2h61 h ARG 20 Cb 0.20 0.03 -0.26 0.00 0.08 0.00 0.00 29.97 30.01 2h61 h ARG 20 CO 0.00 0.84 -0.76 -1.21 -1.07 0.00 0.00 179.97 177.78 2h61 s GLU 21 N -4.05 0.55 4.17 0.04 2.02 -1.26 -5.10 118.70 115.07 2h61 s GLU 21 Ca -0.14 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.45 2h61 s GLU 21 Cb 0.05 -0.48 0.00 0.00 0.10 0.00 0.00 34.13 33.80 2h61 s GLU 21 CO 0.77 0.12 0.00 0.41 0.02 0.00 0.00 175.26 176.58 2h61 n GLY 22 N 2.47 0.93 3.68 -1.39 0.00 -1.26 -4.50 105.19 105.11 2h61 n GLY 22 Ca -0.16 -0.76 -0.46 0.00 0.00 0.00 0.00 46.02 44.64 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 0.51 3.68 0.02 1.61 -0.08 -1.26 -4.88 116.55 116.15 2h61 n ASP 23 Ca 0.00 0.96 0.11 0.00 -1.51 0.00 0.00 54.79 54.35 2h61 n ASP 23 Cb 0.00 -1.43 0.47 0.00 2.34 0.00 0.00 41.12 42.50 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 6.65 0.03 -0.13 -0.67 5.02 -1.26 -2.86 118.16 124.94 2h61 n LYS 24 Ca 0.21 0.15 0.10 0.00 -2.02 0.00 0.00 58.31 56.75 2h61 n LYS 24 Cb 0.33 -1.55 0.16 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.61 0.35 -4.09 2.13 8.25 -1.26 -3.53 115.22 115.46 2h61 n HIS 25 Ca 0.05 -0.21 -0.14 0.00 -0.26 0.00 0.00 57.72 57.16 2h61 n HIS 25 Cb 0.27 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.39 0.61 -0.31 -0.41 1.02 -1.14 -4.29 119.74 113.84 2h61 s LYS 26 Ca 0.31 -0.84 -0.23 0.00 0.02 0.00 0.00 55.97 55.23 2h61 s LYS 26 Cb 0.19 -0.38 -0.00 0.00 -0.52 0.00 0.00 37.83 37.12 2h61 s LYS 26 CO 0.26 0.07 0.77 -0.51 -0.92 0.00 0.00 175.35 175.02 2h61 s LEU 27 N -1.74 4.09 0.76 3.17 1.43 0.50 -4.65 118.68 122.24 2h61 s LEU 27 Ca -0.07 0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 53.57 2h61 s LEU 27 Cb -0.09 -3.05 0.07 0.00 0.03 0.00 0.00 46.19 43.15 2h61 s LEU 27 CO 0.00 -0.60 1.10 -1.59 0.23 0.00 0.00 176.35 175.49 2h61 s LYS 28 N 2.92 2.14 0.27 1.70 -2.85 -1.26 -0.47 119.74 122.19 2h61 s LYS 28 Ca 0.32 -0.01 -0.03 0.00 -1.00 0.00 0.00 55.97 55.24 2h61 s LYS 28 Cb -0.14 -2.05 0.57 0.00 -2.06 0.00 0.00 37.83 34.15 2h61 s LYS 28 CO 0.12 -1.40 1.61 0.87 0.10 0.00 0.00 175.35 176.66 2h61 h LYS 29 N -0.83 0.07 -0.56 1.78 1.57 -1.97 -0.81 116.57 115.83 2h61 h LYS 29 Ca -0.45 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.23 2h61 h LYS 29 Cb 1.32 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 2h61 h LYS 29 CO 0.64 0.05 -0.03 0.66 -0.57 0.00 0.00 179.45 180.19 2h61 h SER 30 N 0.07 0.99 -0.71 0.86 4.64 -1.99 -0.34 113.55 117.08 2h61 h SER 30 Ca 0.49 -0.32 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 2h61 h SER 30 Cb 0.93 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.72 2h61 h SER 30 CO -0.78 1.07 0.16 -0.33 -0.87 0.00 0.00 176.83 176.07 2h61 h GLU 31 N 0.89 1.14 -0.60 4.77 5.08 -1.76 -1.85 114.58 122.25 2h61 h GLU 31 Ca 0.15 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 2h61 h GLU 31 Cb 0.58 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2h61 h GLU 31 CO 0.03 1.01 0.07 1.25 -1.00 0.00 0.00 179.01 180.38 2h61 h LEU 32 N 1.08 0.98 -0.73 1.33 5.85 -0.95 -1.11 115.31 121.76 2h61 h LEU 32 Ca 0.22 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 2h61 h LEU 32 Cb 0.39 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2h61 h LEU 32 CO 0.01 1.01 0.23 0.50 -0.34 0.00 0.00 178.44 179.84 2h61 h LYS 33 N 0.92 1.13 -0.18 1.25 3.64 -0.91 -1.22 116.57 121.19 2h61 h LYS 33 Ca 0.18 -0.24 -0.19 0.00 -1.27 0.00 0.00 60.65 59.13 2h61 h LYS 33 Cb 0.46 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2h61 h LYS 33 CO 0.02 0.97 -0.64 0.93 -2.27 0.00 0.00 179.45 178.45 2h61 h GLU 34 N 1.08 0.66 0.01 1.90 5.08 -1.10 -0.20 114.58 122.01 2h61 h GLU 34 Ca 0.24 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2h61 h GLU 34 Cb 0.31 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2h61 h GLU 34 CO -0.01 1.09 -0.00 1.25 -1.00 0.00 0.00 179.01 180.34 2h61 h LEU 35 N 0.48 -0.01 -0.38 1.33 6.46 -0.97 -0.13 115.31 122.10 2h61 h LEU 35 Ca -0.01 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.60 2h61 h LEU 35 Cb 1.23 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 2h61 h LEU 35 CO 0.13 0.15 0.25 0.40 -0.62 0.00 0.00 178.44 178.74 2h61 h ILE 36 N -0.17 1.08 -0.19 4.05 2.04 -1.08 0.25 117.51 123.49 2h61 h ILE 36 Ca -0.00 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 2h61 h ILE 36 Cb 0.17 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2h61 h ILE 36 CO 0.00 0.09 -0.43 0.78 0.00 0.00 0.00 178.15 178.60 2h61 h ASN 37 N 0.50 0.49 0.27 1.72 -0.26 -0.90 -1.59 115.58 115.80 2h61 h ASN 37 Ca 0.14 -0.22 -0.27 0.00 -0.56 0.00 0.00 56.30 55.39 2h61 h ASN 37 Cb -0.04 -0.14 -0.05 0.00 -1.06 0.00 0.00 38.32 37.03 2h61 h ASN 37 CO -0.04 0.86 -1.98 0.59 -1.06 0.00 0.00 177.43 175.80 2h61 n ASN 38 N -4.01 0.40 -0.00 5.81 3.02 -0.07 -4.33 115.26 116.07 2h61 n ASN 38 Ca -0.02 0.18 0.03 0.00 -0.03 0.00 0.00 54.58 54.74 2h61 n ASN 38 Cb 0.52 0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 40.31 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 -2.80 3.90 -0.55 3.52 -0.58 0.86 -4.65 120.64 120.34 2h61 n GLU 39 Ca -0.21 -0.01 0.07 0.00 -0.42 0.00 0.00 57.16 56.58 2h61 n GLU 39 Cb 1.01 -0.85 0.19 0.00 -0.57 0.00 0.00 31.44 31.22 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 -1.27 2.55 0.17 -4.62 4.77 -0.60 -4.85 117.00 113.15 2h61 n LEU 40 Ca 0.00 -3.66 0.13 0.00 -0.03 0.00 0.00 56.01 52.46 2h61 n LEU 40 Cb 0.10 -0.48 0.59 0.00 -2.33 0.00 0.00 43.42 41.29 2h61 n LEU 40 CO 0.11 1.24 0.89 0.77 -1.33 0.00 0.00 177.39 179.07 2h61 h SER 41 N 0.82 0.00 -0.00 -1.43 4.64 -1.75 0.32 113.55 116.16 2h61 h SER 41 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2h61 h SER 41 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2h61 h SER 41 CO 0.00 0.00 -0.71 1.41 -0.87 0.00 0.00 176.83 176.66 2h61 n HIS 42 N -2.42 0.00 -0.06 4.77 8.25 -1.26 -4.36 115.22 120.13 2h61 n HIS 42 Ca 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2h61 n HIS 42 Cb 0.18 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.23 0.00 -4.25 4.41 3.72 -0.80 -5.04 117.46 114.27 2h61 n PHE 43 Ca 0.03 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.26 2h61 n PHE 43 Cb 0.26 -0.70 -0.13 0.00 -0.94 0.00 0.00 39.48 37.97 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 -4.94 2.13 0.34 4.37 1.43 0.11 -5.08 118.68 117.03 2h61 s LEU 44 Ca -0.08 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 2h61 s LEU 44 Cb 0.07 -0.41 -0.11 0.00 0.03 0.00 0.00 46.19 45.77 2h61 s LEU 44 CO 0.70 -0.00 1.44 -1.61 0.23 0.00 0.00 176.35 177.10 2h61 s GLU 45 N -0.89 4.20 0.34 1.70 2.02 -1.26 -4.47 118.70 120.34 2h61 s GLU 45 Ca -0.01 2.43 -0.28 0.00 0.02 0.00 0.00 54.97 57.13 2h61 s GLU 45 Cb -0.06 -3.02 -0.12 0.00 0.10 0.00 0.00 34.13 31.02 2h61 s GLU 45 CO 0.00 -0.43 1.30 -1.91 0.02 0.00 0.00 175.26 174.25 2h61 n GLU 46 N 0.96 2.13 -3.33 1.61 2.13 -1.26 -4.97 120.64 117.91 2h61 n GLU 46 Ca 0.02 0.75 -0.38 0.00 0.66 0.00 0.00 57.16 58.21 2h61 n GLU 46 Cb 0.40 -2.34 -0.07 0.00 0.27 0.00 0.00 31.44 29.70 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 -1.03 5.17 0.00 6.31 1.01 -1.26 -4.94 121.20 126.45 2h61 s ILE 47 Ca 0.56 0.83 0.00 0.00 0.00 0.00 0.00 60.65 62.04 2h61 s ILE 47 Cb -0.57 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2h61 s ILE 47 CO 0.61 0.24 0.03 0.29 0.00 0.00 0.00 174.94 176.12 2h61 n LYS 48 N 4.45 3.91 -4.74 2.79 5.02 -1.26 -5.00 118.16 123.34 2h61 n LYS 48 Ca -0.07 -0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 55.93 2h61 n LYS 48 Cb 0.51 -0.37 -0.15 0.00 -0.02 0.00 0.00 35.03 35.00 2h61 n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2h61 s GLU 49 N -0.57 1.43 0.52 1.97 2.02 -1.26 -5.03 118.70 117.78 2h61 s GLU 49 Ca 0.00 -0.84 0.19 0.00 0.02 0.00 0.00 54.97 54.34 2h61 s GLU 49 Cb 0.00 -1.48 1.29 0.00 0.10 0.00 0.00 34.13 34.04 2h61 s GLU 49 CO 0.00 0.39 2.08 0.37 0.02 0.00 0.00 175.26 178.11 2h61 h GLN 50 N 5.15 0.04 -0.02 1.61 5.75 -2.00 -2.63 115.11 123.01 2h61 h GLN 50 Ca -0.41 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 57.98 2h61 h GLN 50 Cb 1.15 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.68 2h61 h GLN 50 CO 0.45 0.03 -0.51 0.93 -2.65 0.00 0.00 178.83 177.08 2h61 h GLU 51 N 0.04 0.06 0.05 1.69 3.07 -1.99 -1.30 114.58 116.21 2h61 h GLU 51 Ca 0.12 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2h61 h GLU 51 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2h61 h GLU 51 CO -0.01 0.55 -0.03 0.28 -1.40 0.00 0.00 179.01 178.41 2h61 h VAL 52 N 0.05 1.29 -0.64 3.13 2.07 -1.90 -2.45 116.25 117.80 2h61 h VAL 52 Ca -0.00 -1.32 0.12 0.00 0.82 0.00 0.00 66.70 66.32 2h61 h VAL 52 Cb 0.91 2.13 -0.12 0.00 -1.52 0.00 0.00 31.29 32.69 2h61 h VAL 52 CO 0.07 0.32 -0.23 0.58 0.02 0.00 0.00 177.57 178.33 2h61 h VAL 53 N -0.68 0.26 -0.49 2.57 2.07 -1.44 -0.66 116.25 117.88 2h61 h VAL 53 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2h61 h VAL 53 Cb 0.58 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2h61 h VAL 53 CO 0.01 0.00 0.24 0.44 0.02 0.00 0.00 177.57 178.29 2h61 h ASP 54 N -0.07 0.35 -0.22 0.57 3.32 -1.19 -1.09 116.42 118.10 2h61 h ASP 54 Ca 0.29 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 2h61 h ASP 54 Cb 0.52 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2h61 h ASP 54 CO -0.69 0.25 -0.26 0.11 -1.72 0.00 0.00 179.24 176.93 2h61 h LYS 55 N 0.48 0.70 -0.12 3.56 1.79 -1.01 -0.87 116.57 121.11 2h61 h LYS 55 Ca 0.21 -0.30 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2h61 h LYS 55 Cb 0.12 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2h61 h LYS 55 CO -0.15 0.89 0.07 0.28 -1.08 0.00 0.00 179.45 179.47 2h61 h VAL 56 N 0.61 1.06 -0.98 0.50 2.07 -0.54 -2.06 116.25 116.90 2h61 h VAL 56 Ca 0.08 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2h61 h VAL 56 Cb 0.76 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 2h61 h VAL 56 CO 0.06 0.06 0.64 -0.03 0.02 0.00 0.00 177.57 178.32 2h61 h MET 57 N 0.13 1.30 -0.94 1.57 1.85 -1.01 -1.98 114.93 115.86 2h61 h MET 57 Ca 0.04 -0.08 0.01 0.00 -0.61 0.00 0.00 59.70 59.06 2h61 h MET 57 Cb 0.03 -0.29 -0.05 0.00 0.43 0.00 0.00 31.60 31.72 2h61 h MET 57 CO -0.01 0.87 0.61 0.93 -0.40 0.00 0.00 176.91 178.91 2h61 h GLU 58 N 1.34 1.25 -0.15 0.39 5.08 -0.90 0.75 114.58 122.33 2h61 h GLU 58 Ca 0.36 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 2h61 h GLU 58 Cb -0.14 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 28.83 2h61 h GLU 58 CO -0.08 0.83 -0.16 1.15 -1.00 0.00 0.00 179.01 179.76 2h61 h THR 59 N 1.28 1.34 -0.08 1.13 2.02 -1.08 -3.33 112.91 114.20 2h61 h THR 59 Ca 0.34 -1.32 -0.16 0.00 0.77 0.00 0.00 66.41 66.04 2h61 h THR 59 Cb -0.13 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2h61 h THR 59 CO -0.07 0.39 -0.66 -0.07 0.37 0.00 0.00 175.52 175.48 2h61 h LEU 60 N 0.01 0.36 -7.97 2.58 3.38 -0.95 -3.40 115.31 109.32 2h61 h LEU 60 Ca 0.02 -0.22 -0.65 0.00 0.09 0.00 0.00 57.88 57.12 2h61 h LEU 60 Cb 0.69 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 2h61 h LEU 60 CO 0.04 0.92 1.64 -0.62 0.09 0.00 0.00 178.44 180.51 2h61 s ASP 61 N -6.92 6.69 0.08 -0.43 2.15 0.26 -4.81 116.67 113.69 2h61 s ASP 61 Ca -0.05 -2.03 -0.15 0.00 0.43 0.00 0.00 52.55 50.75 2h61 s ASP 61 Cb 0.11 -2.53 -0.15 0.00 -0.30 0.00 0.00 42.92 40.05 2h61 s ASP 61 CO 0.82 -1.26 1.31 0.78 -0.17 0.00 0.00 175.17 176.64 2h61 h ASN 62 N 8.64 0.78 0.04 -0.34 2.35 -1.85 -3.25 115.58 121.95 2h61 h ASN 62 Ca 0.29 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2h61 h ASN 62 Cb 0.95 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2h61 h ASN 62 CO 1.38 1.24 -0.00 -0.90 -1.65 0.00 0.00 177.43 177.50 2h61 n ASP 63 N -4.13 0.01 -0.88 5.81 5.75 -1.26 -4.93 116.55 116.92 2h61 n ASP 63 Ca -0.07 -0.94 -0.10 0.00 -0.01 0.00 0.00 54.79 53.67 2h61 n ASP 63 Cb 0.62 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.66 2h61 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2h61 n GLY 64 N 1.02 0.69 0.66 6.12 0.00 -1.23 -4.93 105.19 107.53 2h61 n GLY 64 Ca 0.23 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 0.33 1.95 0.00 1.61 5.75 -1.26 -4.92 116.55 120.01 2h61 n ASP 65 Ca -0.10 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 2h61 n ASP 65 Cb 0.42 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 2h61 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2h61 n GLY 66 N 1.12 0.81 3.39 6.12 0.00 -1.26 -5.00 105.19 110.37 2h61 n GLY 66 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.15 1.54 -0.30 1.61 2.02 -1.26 -4.53 118.70 117.63 2h61 s GLU 67 Ca 0.00 -1.84 -0.05 0.00 0.02 0.00 0.00 54.97 53.10 2h61 s GLU 67 Cb 0.00 -0.62 0.03 0.00 0.10 0.00 0.00 34.13 33.64 2h61 s GLU 67 CO 0.00 -0.22 0.04 0.00 0.02 0.00 0.00 175.26 175.10 2h61 s ASP 69 N 1.39 4.33 0.13 0.00 1.47 -1.26 -0.37 116.67 122.36 2h61 s ASP 69 Ca -0.00 -0.54 -0.18 0.00 1.18 0.00 0.00 52.55 53.01 2h61 s ASP 69 Cb -0.18 0.22 -0.04 0.00 -0.34 0.00 0.00 42.92 42.58 2h61 s ASP 69 CO 0.00 -1.89 1.78 0.15 0.68 0.00 0.00 175.17 175.89 2h61 h PHE 70 N -0.49 0.36 -0.98 2.11 3.57 -2.00 -0.65 116.94 118.86 2h61 h PHE 70 Ca -0.34 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.21 2h61 h PHE 70 Cb 1.27 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.82 2h61 h PHE 70 CO -0.18 0.24 0.64 0.37 -2.23 0.00 0.00 178.31 177.15 2h61 h GLN 71 N 0.38 1.17 -0.27 1.11 4.15 -1.97 0.26 115.11 119.94 2h61 h GLN 71 Ca 0.10 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2h61 h GLN 71 Cb -0.03 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.39 2h61 h GLN 71 CO -0.02 0.77 -0.15 0.93 -1.93 0.00 0.00 178.83 178.43 2h61 h GLU 72 N 1.20 0.47 -0.38 1.69 5.08 -1.73 -2.34 114.58 118.58 2h61 h GLU 72 Ca 0.40 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2h61 h GLU 72 Cb 0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2h61 h GLU 72 CO -0.14 0.62 0.00 0.35 -1.00 0.00 0.00 179.01 178.84 2h61 h PHE 73 N 0.44 0.73 -0.72 4.33 3.57 -0.50 -2.60 116.94 122.19 2h61 h PHE 73 Ca 0.08 -0.13 0.08 0.00 3.53 0.00 0.00 57.97 61.53 2h61 h PHE 73 Cb 0.52 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 2h61 h PHE 73 CO 0.02 0.76 0.47 0.52 -2.23 0.00 0.00 178.31 177.85 2h61 h MET 74 N 0.49 0.65 -0.43 1.11 2.86 -0.76 0.12 114.93 118.98 2h61 h MET 74 Ca 0.11 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 2h61 h MET 74 Cb 0.47 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2h61 h MET 74 CO 0.02 0.43 -0.09 0.00 1.06 0.00 0.00 176.91 178.33 2h61 h ALA 75 N 1.62 0.59 -0.65 6.32 0.00 -1.23 -0.04 119.26 125.88 2h61 h ALA 75 Ca 0.32 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2h61 h ALA 75 Cb 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2h61 h ALA 75 CO -0.11 0.46 0.43 0.35 0.00 0.00 0.00 179.25 180.38 2h61 h PHE 76 N 0.65 0.81 -0.56 0.00 3.57 -0.95 -1.20 116.94 119.27 2h61 h PHE 76 Ca 0.11 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2h61 h PHE 76 Cb 0.62 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 2h61 h PHE 76 CO 0.05 0.51 0.28 0.28 -2.23 0.00 0.00 178.31 177.20 2h61 h VAL 77 N 0.87 1.20 -0.54 1.41 2.07 -0.66 -0.88 116.25 119.71 2h61 h VAL 77 Ca 0.24 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 2h61 h VAL 77 Cb -0.09 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2h61 h VAL 77 CO -0.06 0.22 0.09 0.00 0.02 0.00 0.00 177.57 177.84 2h61 h ALA 78 N 1.12 1.13 0.52 1.67 0.00 -0.72 -1.69 119.26 121.28 2h61 h ALA 78 Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2h61 h ALA 78 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2h61 h ALA 78 CO -0.03 0.57 -0.33 1.98 0.00 0.00 0.00 179.25 181.45 2h61 h MET 79 N 0.82 -0.78 -0.01 0.00 -1.53 -0.59 -0.68 114.93 112.17 2h61 h MET 79 Ca 0.17 0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.48 2h61 h MET 79 Cb 0.36 0.18 -0.00 0.00 -0.55 0.00 0.00 31.60 31.59 2h61 h MET 79 CO 0.01 -0.52 0.00 0.28 0.14 0.00 0.00 176.91 176.82 2h61 h VAL 80 N -0.81 1.02 -0.57 -5.77 2.07 -1.15 -2.14 116.25 108.91 2h61 h VAL 80 Ca -0.06 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.49 2h61 h VAL 80 Cb 0.66 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 2h61 h VAL 80 CO 0.06 0.02 0.13 0.74 0.02 0.00 0.00 177.57 178.54 2h61 h THR 81 N -0.02 0.68 -0.75 2.57 2.02 -1.34 -0.68 112.91 115.39 2h61 h THR 81 Ca 0.00 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.10 2h61 h THR 81 Cb 0.03 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 2h61 h THR 81 CO -0.00 0.05 0.49 0.74 0.37 0.00 0.00 175.52 177.17 2h61 h THR 82 N 0.27 1.16 -0.18 3.16 2.02 -0.98 0.92 112.91 119.29 2h61 h THR 82 Ca 0.29 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 67.18 2h61 h THR 82 Cb 0.42 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 2h61 h THR 82 CO -0.37 0.18 -0.11 0.00 0.37 0.00 0.00 175.52 175.59 2h61 h ALA 83 N 1.29 0.03 -0.13 6.16 0.00 -0.64 -2.18 119.26 123.78 2h61 h ALA 83 Ca 0.28 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2h61 h ALA 83 Cb -0.07 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2h61 h ALA 83 CO -0.08 -0.55 0.09 0.00 0.00 0.00 0.00 179.25 178.72 2h61 h HIS 85 N 0.15 0.00 -0.12 0.00 6.17 -0.26 -2.73 115.15 118.35 2h61 h HIS 85 Ca 0.05 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.09 2h61 h HIS 85 Cb 0.02 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 29.94 2h61 h HIS 85 CO -0.00 0.75 -0.10 0.93 0.71 0.00 0.00 177.93 180.22 2h61 h GLU 86 N 0.00 0.19 0.34 5.26 5.08 -1.18 -2.94 114.58 121.33 2h61 h GLU 86 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2h61 h GLU 86 Cb 1.36 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2h61 h GLU 86 CO 0.10 0.30 -0.38 0.35 -1.00 0.00 0.00 179.01 178.38 2h61 h PHE 87 N 0.18 -1.06 0.00 4.33 3.57 -1.52 -3.22 116.94 119.22 2h61 h PHE 87 Ca 0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2h61 h PHE 87 Cb 0.30 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.46 2h61 h PHE 87 CO 0.00 -0.49 0.00 1.19 -2.23 0.00 0.00 178.31 176.78 2h61 n PHE 88 N -4.69 0.00 -3.21 0.41 0.99 -1.11 -4.77 117.46 105.09 2h61 n PHE 88 Ca -0.09 -0.27 -0.44 0.00 -0.00 0.00 0.00 57.45 56.66 2h61 n PHE 88 Cb 0.34 -0.17 -0.07 0.00 -1.00 0.00 0.00 39.48 38.58 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 -0.08 3.11 0.00 -1.08 0.41 -1.22 -5.10 118.70 114.74 2h61 s GLU 89 Ca 0.00 -0.89 0.00 0.00 -0.41 0.00 0.00 54.97 53.67 2h61 s GLU 89 Cb 0.00 -4.07 0.00 0.00 -1.78 0.00 0.00 34.13 28.28 2h61 s GLU 89 CO 0.00 -1.12 0.00 0.72 -0.49 0.00 0.00 175.26 174.37