#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 2.73 0.41 7.83 1.04 -1.26 -4.80 113.70 119.64 2h61 s SER 1 Ca 0.00 1.07 0.09 0.00 0.48 0.00 0.00 55.95 57.59 2h61 s SER 1 Cb 0.00 -1.68 0.87 0.00 0.10 0.00 0.00 66.02 65.31 2h61 s SER 1 CO 0.00 -3.05 1.99 -0.33 0.98 0.00 0.00 173.24 172.82 2h61 h GLU 2 N -1.84 0.30 -0.20 4.02 4.39 -2.05 -0.29 114.58 118.92 2h61 h GLU 2 Ca -0.53 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.10 2h61 h GLU 2 Cb 1.33 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 2h61 h GLU 2 CO 0.58 0.33 0.02 1.25 -1.16 0.00 0.00 179.01 180.02 2h61 h LEU 3 N 0.30 0.32 -0.82 1.33 5.85 -1.99 -1.39 115.31 118.91 2h61 h LEU 3 Ca 0.07 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 2h61 h LEU 3 Cb 0.19 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2h61 h LEU 3 CO 0.00 0.52 0.32 -0.33 -0.34 0.00 0.00 178.44 178.62 2h61 h GLU 4 N 0.11 1.19 -0.67 1.25 5.08 -1.82 -1.56 114.58 118.16 2h61 h GLU 4 Ca 0.06 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 2h61 h GLU 4 Cb 0.35 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2h61 h GLU 4 CO 0.01 0.96 0.12 0.87 -1.00 0.00 0.00 179.01 179.96 2h61 h LYS 5 N 1.16 1.10 -0.43 2.33 1.57 -1.04 -1.58 116.57 119.69 2h61 h LYS 5 Ca 0.27 -0.29 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2h61 h LYS 5 Cb 0.21 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 2h61 h LYS 5 CO -0.02 1.00 0.12 0.00 -0.57 0.00 0.00 179.45 179.98 2h61 h ALA 6 N 1.08 0.49 -0.46 3.86 0.00 -1.00 -1.41 119.26 121.82 2h61 h ALA 6 Ca 0.21 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2h61 h ALA 6 Cb 0.43 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2h61 h ALA 6 CO 0.01 -0.28 0.22 0.52 0.00 0.00 0.00 179.25 179.73 2h61 h MET 7 N 0.26 0.43 -0.70 0.00 2.86 -0.95 -1.63 114.93 115.21 2h61 h MET 7 Ca 0.20 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2h61 h MET 7 Cb 0.22 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2h61 h MET 7 CO -0.24 0.29 0.35 0.28 1.06 0.00 0.00 176.91 178.64 2h61 h VAL 8 N 0.45 1.22 -0.54 -2.22 2.07 -1.00 -2.14 116.25 114.09 2h61 h VAL 8 Ca 0.20 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2h61 h VAL 8 Cb 0.11 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2h61 h VAL 8 CO -0.14 0.26 0.32 0.00 0.02 0.00 0.00 177.57 178.02 2h61 h ALA 9 N 1.40 1.54 -0.33 1.67 0.00 -0.60 0.21 119.26 123.16 2h61 h ALA 9 Ca 0.24 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2h61 h ALA 9 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2h61 h ALA 9 CO -0.03 0.39 -0.19 -0.07 0.00 0.00 0.00 179.25 179.35 2h61 h LEU 10 N 0.74 0.74 0.21 0.00 3.38 -0.80 -1.52 115.31 118.07 2h61 h LEU 10 Ca 0.19 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2h61 h LEU 10 Cb -0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2h61 h LEU 10 CO -0.04 1.00 -0.12 0.40 0.09 0.00 0.00 178.44 179.77 2h61 h ILE 11 N 0.48 0.74 -0.28 1.22 2.04 -0.75 -2.45 117.51 118.51 2h61 h ILE 11 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 2h61 h ILE 11 Cb 0.74 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 2h61 h ILE 11 CO 0.05 0.00 -0.03 -0.78 0.00 0.00 0.00 178.15 177.40 2h61 h ASP 12 N -0.32 -0.17 -0.98 1.72 3.58 -0.49 -0.87 116.42 118.90 2h61 h ASP 12 Ca -0.02 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2h61 h ASP 12 Cb 0.26 0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 2h61 h ASP 12 CO 0.03 -0.05 0.63 1.62 -2.88 0.00 0.00 179.24 178.58 2h61 h VAL 13 N 0.05 1.26 -0.48 2.25 3.04 -1.27 -0.66 116.25 120.44 2h61 h VAL 13 Ca 0.13 -0.50 -0.01 0.00 -1.01 0.00 0.00 66.70 65.32 2h61 h VAL 13 Cb 0.19 -0.16 -0.02 0.00 -2.01 0.00 0.00 31.29 29.29 2h61 h VAL 13 CO -0.25 0.26 0.27 0.15 -1.01 0.00 0.00 177.57 176.99 2h61 h PHE 14 N 1.33 0.64 -0.70 3.17 3.57 -1.04 -2.17 116.94 121.74 2h61 h PHE 14 Ca 0.36 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.94 2h61 h PHE 14 Cb -0.12 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.34 2h61 h PHE 14 CO 0.00 0.46 0.34 0.45 -2.23 0.00 0.00 178.31 177.33 2h61 h HIS 15 N 0.63 0.60 -0.60 0.41 3.86 -0.56 0.20 115.15 119.69 2h61 h HIS 15 Ca 0.17 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2h61 h HIS 15 Cb 0.02 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 2h61 h HIS 15 CO -0.02 0.21 0.34 0.37 0.86 0.00 0.00 177.93 179.69 2h61 h GLN 16 N 0.57 0.83 0.01 2.45 4.15 -0.55 -2.59 115.11 119.98 2h61 h GLN 16 Ca 0.35 -0.09 -0.32 0.00 0.77 0.00 0.00 58.65 59.36 2h61 h GLN 16 Cb 0.38 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 2h61 h GLN 16 CO -0.28 0.62 -1.88 0.66 -1.93 0.00 0.00 178.83 176.01 2h61 n TYR 17 N -4.59 0.82 0.15 3.99 4.02 -0.87 -4.05 117.16 116.62 2h61 n TYR 17 Ca 0.04 0.28 0.02 0.00 -0.01 0.00 0.00 57.90 58.22 2h61 n TYR 17 Cb 0.07 -1.14 0.35 0.00 -0.02 0.00 0.00 39.34 38.60 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 0.01 0.11 0.00 7.72 4.64 -0.61 -2.93 113.55 122.48 2h61 h SER 18 Ca -0.36 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2h61 h SER 18 Cb 2.06 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 2h61 h SER 18 CO 0.07 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 2h61 n GLY 19 N -0.57 -0.81 0.21 -0.77 0.00 -0.98 -4.16 105.19 98.11 2h61 n GLY 19 Ca -0.02 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.74 -4.15 1.61 3.08 -1.69 -3.47 114.38 110.50 2h61 h ARG 20 Ca 0.00 -0.64 -0.12 0.00 0.07 0.00 0.00 59.98 59.29 2h61 h ARG 20 Cb 0.00 0.15 -0.15 0.00 0.08 0.00 0.00 29.97 30.05 2h61 h ARG 20 CO 0.00 1.25 -0.60 -1.21 -1.07 0.00 0.00 179.97 178.34 2h61 s GLU 21 N -3.63 0.70 2.72 0.04 2.02 -1.26 -5.13 118.70 114.16 2h61 s GLU 21 Ca -0.11 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.70 2h61 s GLU 21 Cb 0.08 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.55 2h61 s GLU 21 CO 0.90 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.42 2h61 n GLY 22 N 0.05 2.08 3.65 -1.39 0.00 -1.26 -4.46 105.19 103.85 2h61 n GLY 22 Ca -0.13 -0.30 -0.51 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 -0.45 2.95 0.00 1.61 -0.08 -1.26 -4.84 116.55 114.48 2h61 n ASP 23 Ca 0.00 0.88 0.11 0.00 -1.51 0.00 0.00 54.79 54.27 2h61 n ASP 23 Cb 0.00 -1.30 0.50 0.00 2.34 0.00 0.00 41.12 42.66 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 6.68 0.08 -0.00 -0.67 4.76 -1.26 -2.96 118.16 124.78 2h61 n LYS 24 Ca 0.27 0.11 0.07 0.00 -2.87 0.00 0.00 58.31 55.89 2h61 n LYS 24 Cb 0.25 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.00 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 -1.45 0.01 -4.13 2.13 8.25 -1.26 -3.62 115.22 115.15 2h61 n HIS 25 Ca 0.07 -0.01 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 2h61 n HIS 25 Cb 0.24 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.21 0.71 -0.34 -0.41 1.02 -1.16 -4.36 119.74 113.98 2h61 s LYS 26 Ca 0.17 -1.04 -0.20 0.00 0.02 0.00 0.00 55.97 54.92 2h61 s LYS 26 Cb 0.12 -0.33 -0.00 0.00 -0.52 0.00 0.00 37.83 37.10 2h61 s LYS 26 CO 0.18 0.04 0.63 -0.51 -0.92 0.00 0.00 175.35 174.77 2h61 s LEU 27 N -2.25 4.24 0.85 3.17 1.43 0.66 -4.62 118.68 122.16 2h61 s LEU 27 Ca 0.01 0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.17 2h61 s LEU 27 Cb -0.03 -2.78 0.11 0.00 0.03 0.00 0.00 46.19 43.52 2h61 s LEU 27 CO -0.01 -0.56 1.20 -1.59 0.23 0.00 0.00 176.35 175.61 2h61 s LYS 28 N 2.66 1.60 0.19 1.70 -2.85 -1.26 -0.28 119.74 121.50 2h61 s LYS 28 Ca 0.24 0.04 -0.12 0.00 -1.00 0.00 0.00 55.97 55.13 2h61 s LYS 28 Cb -0.15 -1.91 0.21 0.00 -2.06 0.00 0.00 37.83 33.92 2h61 s LYS 28 CO 0.14 -1.84 1.72 0.87 0.10 0.00 0.00 175.35 176.34 2h61 h LYS 29 N -1.23 0.25 -0.89 1.78 1.57 -1.97 -0.38 116.57 115.70 2h61 h LYS 29 Ca -0.46 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.37 2h61 h LYS 29 Cb 1.31 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 2h61 h LYS 29 CO 0.60 0.17 0.55 0.66 -0.57 0.00 0.00 179.45 180.86 2h61 h SER 30 N 0.26 0.85 -0.02 0.86 4.64 -1.99 0.01 113.55 118.16 2h61 h SER 30 Ca 0.26 0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 2h61 h SER 30 Cb 0.35 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2h61 h SER 30 CO -0.33 0.53 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.50 2h61 h GLU 31 N 0.98 0.48 -0.26 4.77 5.08 -1.58 -1.95 114.58 122.11 2h61 h GLU 31 Ca 0.39 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 2h61 h GLU 31 Cb 0.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2h61 h GLU 31 CO -0.19 0.75 -0.50 1.25 -1.00 0.00 0.00 179.01 179.33 2h61 h LEU 32 N 0.42 0.88 -0.45 1.33 5.85 -0.58 -1.90 115.31 120.86 2h61 h LEU 32 Ca 0.05 -0.54 0.03 0.00 0.84 0.00 0.00 57.88 58.26 2h61 h LEU 32 Cb 0.77 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2h61 h LEU 32 CO 0.06 1.26 0.25 0.50 -0.34 0.00 0.00 178.44 180.17 2h61 h LYS 33 N 0.54 0.48 -0.57 1.25 3.64 -0.88 -0.61 116.57 120.42 2h61 h LYS 33 Ca 0.01 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2h61 h LYS 33 Cb 1.10 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 2h61 h LYS 33 CO 0.11 0.32 0.07 0.93 -2.27 0.00 0.00 179.45 178.61 2h61 h GLU 34 N 0.50 0.96 -0.33 1.90 4.39 -1.35 0.69 114.58 121.34 2h61 h GLU 34 Ca 0.19 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2h61 h GLU 34 Cb 0.06 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2h61 h GLU 34 CO -0.11 0.93 0.12 1.25 -1.16 0.00 0.00 179.01 180.04 2h61 h LEU 35 N 0.86 0.47 -0.48 1.33 6.46 -1.04 0.11 115.31 123.02 2h61 h LEU 35 Ca 0.17 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2h61 h LEU 35 Cb 0.44 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 2h61 h LEU 35 CO 0.01 0.52 0.26 0.40 -0.62 0.00 0.00 178.44 179.02 2h61 h ILE 36 N 0.39 1.17 0.00 4.05 2.04 -0.99 0.38 117.51 124.55 2h61 h ILE 36 Ca 0.11 -0.44 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 2h61 h ILE 36 Cb 0.21 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2h61 h ILE 36 CO -0.01 0.18 -0.61 0.78 0.00 0.00 0.00 178.15 178.50 2h61 h ASN 37 N 0.63 0.00 0.24 1.72 -0.26 -0.68 -2.08 115.58 115.15 2h61 h ASN 37 Ca 0.17 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.59 2h61 h ASN 37 Cb 0.06 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.26 2h61 h ASN 37 CO -0.03 0.61 -2.04 0.59 -1.06 0.00 0.00 177.43 175.50 2h61 n ASN 38 N -3.70 0.41 -0.00 5.81 3.02 0.37 -4.34 115.26 116.83 2h61 n ASN 38 Ca -0.01 0.19 0.02 0.00 -0.03 0.00 0.00 54.58 54.76 2h61 n ASN 38 Cb 0.63 0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 40.30 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 -2.87 4.49 -0.59 3.52 -0.58 0.13 -4.63 120.64 120.12 2h61 n GLU 39 Ca -0.24 -0.01 0.06 0.00 -0.42 0.00 0.00 57.16 56.55 2h61 n GLU 39 Cb 1.08 -0.79 0.16 0.00 -0.57 0.00 0.00 31.44 31.32 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 -1.21 2.25 0.31 -4.62 4.77 -0.78 -4.83 117.00 112.88 2h61 n LEU 40 Ca 0.01 -3.30 0.19 0.00 -0.03 0.00 0.00 56.01 52.88 2h61 n LEU 40 Cb 0.08 -0.41 0.96 0.00 -2.33 0.00 0.00 43.42 41.73 2h61 n LEU 40 CO 0.09 1.06 1.09 0.77 -1.33 0.00 0.00 177.39 179.07 2h61 h SER 41 N 0.70 0.00 0.46 -1.43 4.64 -1.75 -0.61 113.55 115.57 2h61 h SER 41 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2h61 h SER 41 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2h61 h SER 41 CO 0.01 0.02 -0.65 1.41 -0.87 0.00 0.00 176.83 176.76 2h61 n HIS 42 N -3.22 0.09 -0.01 4.77 8.25 -1.26 -4.47 115.22 119.36 2h61 n HIS 42 Ca -0.02 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2h61 n HIS 42 Cb 0.17 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.62 0.00 -4.44 4.41 3.72 -0.86 -5.05 117.46 113.62 2h61 n PHE 43 Ca 0.05 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.25 2h61 n PHE 43 Cb 0.36 -0.14 -0.15 0.00 -0.94 0.00 0.00 39.48 38.61 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 -3.71 2.03 0.32 4.37 1.43 -0.29 -5.05 118.68 117.78 2h61 s LEU 44 Ca -0.02 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.59 2h61 s LEU 44 Cb 0.02 -0.54 -0.13 0.00 0.03 0.00 0.00 46.19 45.57 2h61 s LEU 44 CO 0.17 0.12 1.27 -0.62 0.23 0.00 0.00 176.35 177.52 2h61 n GLU 45 N 2.76 2.02 -1.71 1.70 1.02 -1.26 -4.53 120.64 120.63 2h61 n GLU 45 Ca -0.14 0.71 -0.41 0.00 -0.02 0.00 0.00 57.16 57.30 2h61 n GLU 45 Cb 0.56 -2.28 0.01 0.00 -0.02 0.00 0.00 31.44 29.72 2h61 n GLU 45 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2h61 n GLU 46 N 0.80 2.05 -3.29 3.49 2.13 -1.26 -4.95 120.64 119.62 2h61 n GLU 46 Ca 0.06 0.73 -0.40 0.00 0.66 0.00 0.00 57.16 58.21 2h61 n GLU 46 Cb 0.35 -2.42 -0.08 0.00 0.27 0.00 0.00 31.44 29.55 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 -1.18 5.10 -0.04 6.31 1.01 -1.26 -4.92 121.20 126.23 2h61 s ILE 47 Ca 0.60 0.77 0.09 0.00 0.00 0.00 0.00 60.65 62.11 2h61 s ILE 47 Cb -0.51 -3.79 -0.14 0.00 0.01 0.00 0.00 42.46 38.03 2h61 s ILE 47 CO 0.59 0.10 0.16 0.29 0.00 0.00 0.00 174.94 176.09 2h61 n LYS 48 N 5.48 0.95 -4.46 2.79 5.02 -1.26 -5.01 118.16 121.66 2h61 n LYS 48 Ca -0.06 -0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 55.83 2h61 n LYS 48 Cb 0.50 -1.24 -0.10 0.00 -0.02 0.00 0.00 35.03 34.17 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 -2.55 2.79 0.29 1.97 0.41 -1.26 -5.04 118.70 115.31 2h61 s GLU 49 Ca -0.04 -0.54 -0.02 0.00 -0.41 0.00 0.00 54.97 53.96 2h61 s GLU 49 Cb 0.05 -2.65 0.41 0.00 -1.78 0.00 0.00 34.13 30.16 2h61 s GLU 49 CO 0.40 0.66 1.88 0.37 -0.49 0.00 0.00 175.26 178.08 2h61 h GLN 50 N 4.94 0.93 -0.80 1.61 5.75 -2.00 -2.68 115.11 122.86 2h61 h GLN 50 Ca -0.49 -0.14 0.19 0.00 -0.15 0.00 0.00 58.65 58.06 2h61 h GLN 50 Cb 1.18 -0.17 -0.12 0.00 1.07 0.00 0.00 27.48 29.44 2h61 h GLN 50 CO 0.54 0.74 0.20 0.93 -2.65 0.00 0.00 178.83 178.59 2h61 h GLU 51 N 0.92 0.24 0.04 1.69 4.39 -1.99 0.19 114.58 120.07 2h61 h GLU 51 Ca 0.22 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 2h61 h GLU 51 Cb 0.14 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2h61 h GLU 51 CO -0.02 0.16 -0.02 0.28 -1.16 0.00 0.00 179.01 178.24 2h61 h VAL 52 N 0.25 1.26 -0.13 3.13 2.07 -1.91 -0.78 116.25 120.13 2h61 h VAL 52 Ca 0.47 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 2h61 h VAL 52 Cb 0.87 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2h61 h VAL 52 CO -0.58 0.26 -0.32 1.62 0.02 0.00 0.00 177.57 178.58 2h61 h VAL 53 N -0.52 1.27 -0.84 2.57 3.04 -1.30 -1.12 116.25 119.34 2h61 h VAL 53 Ca -0.01 -1.29 -0.00 0.00 -1.01 0.00 0.00 66.70 64.39 2h61 h VAL 53 Cb 0.47 1.53 -0.04 0.00 -2.01 0.00 0.00 31.29 31.24 2h61 h VAL 53 CO 0.01 0.39 0.51 0.44 -1.01 0.00 0.00 177.57 177.91 2h61 h ASP 54 N 0.22 1.01 -0.15 3.17 3.32 -0.51 -0.98 116.42 122.50 2h61 h ASP 54 Ca 0.03 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 2h61 h ASP 54 Cb 0.68 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2h61 h ASP 54 CO 0.05 0.78 -0.33 0.50 -1.72 0.00 0.00 179.24 178.51 2h61 h LYS 55 N 1.16 0.66 -0.04 3.56 1.63 -0.67 0.54 116.57 123.41 2h61 h LYS 55 Ca 0.30 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2h61 h LYS 55 Cb -0.05 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 2h61 h LYS 55 CO -0.06 0.90 0.00 0.28 -3.45 0.00 0.00 179.45 177.12 2h61 h VAL 56 N 0.55 1.24 -0.92 2.00 2.07 -0.90 -2.00 116.25 118.30 2h61 h VAL 56 Ca 0.06 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.86 2h61 h VAL 56 Cb 0.84 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 2h61 h VAL 56 CO 0.07 0.20 0.61 -0.03 0.02 0.00 0.00 177.57 178.43 2h61 h MET 57 N -0.22 1.19 -0.49 1.57 1.85 -1.06 -1.16 114.93 116.61 2h61 h MET 57 Ca 0.01 -0.07 0.06 0.00 -0.61 0.00 0.00 59.70 59.09 2h61 h MET 57 Cb 0.31 -0.27 -0.05 0.00 0.43 0.00 0.00 31.60 32.02 2h61 h MET 57 CO 0.00 0.79 0.20 1.49 -0.40 0.00 0.00 176.91 178.99 2h61 h GLU 58 N 1.23 0.38 0.08 0.39 4.81 -0.78 0.40 114.58 121.08 2h61 h GLU 58 Ca 0.34 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2h61 h GLU 58 Cb -0.12 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2h61 h GLU 58 CO -0.08 0.25 -0.07 1.15 -0.73 0.00 0.00 179.01 179.53 2h61 h THR 59 N 0.39 0.83 0.00 0.32 2.02 -0.98 -3.20 112.91 112.29 2h61 h THR 59 Ca 0.23 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 2h61 h THR 59 Cb 0.22 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2h61 h THR 59 CO -0.22 0.00 -0.40 -0.07 0.37 0.00 0.00 175.52 175.21 2h61 h LEU 60 N -0.17 0.00 -7.80 2.58 3.38 -0.77 -3.41 115.31 109.12 2h61 h LEU 60 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.27 2h61 h LEU 60 Cb 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.78 2h61 h LEU 60 CO -0.02 0.40 1.74 -0.62 0.09 0.00 0.00 178.44 180.03 2h61 s ASP 61 N -6.66 6.94 0.41 -0.43 2.15 0.14 -4.80 116.67 114.41 2h61 s ASP 61 Ca -0.01 -2.67 0.27 0.00 0.43 0.00 0.00 52.55 50.57 2h61 s ASP 61 Cb 0.13 -2.49 0.88 0.00 -0.30 0.00 0.00 42.92 41.14 2h61 s ASP 61 CO 0.70 -0.97 1.78 0.78 -0.17 0.00 0.00 175.17 177.29 2h61 h ASN 62 N 7.47 0.00 -0.03 -0.34 2.35 -1.84 -3.15 115.58 120.04 2h61 h ASN 62 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 2h61 h ASN 62 Cb 0.88 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.25 2h61 h ASN 62 CO 1.35 0.00 -0.03 -0.90 -1.65 0.00 0.00 177.43 176.20 2h61 n ASP 63 N -2.80 2.67 -0.21 5.81 3.85 -1.26 -4.99 116.55 119.61 2h61 n ASP 63 Ca 0.03 -1.83 -0.03 0.00 -0.71 0.00 0.00 54.79 52.25 2h61 n ASP 63 Cb 0.39 0.03 -0.01 0.00 -1.35 0.00 0.00 41.12 40.18 2h61 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2h61 n GLY 64 N 1.18 0.59 0.36 6.12 0.00 -1.19 -4.90 105.19 107.34 2h61 n GLY 64 Ca 0.12 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 0.58 1.12 0.00 1.61 5.75 -1.26 -4.92 116.55 119.43 2h61 n ASP 65 Ca -0.03 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 2h61 n ASP 65 Cb 0.14 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 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 0.91 3.44 6.12 0.00 -1.26 -5.01 105.19 110.52 2h61 n GLY 66 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.14 1.59 -0.34 1.61 2.02 -1.26 -4.54 118.70 117.64 2h61 s GLU 67 Ca 0.00 -1.81 -0.08 0.00 0.02 0.00 0.00 54.97 53.11 2h61 s GLU 67 Cb 0.00 -1.22 0.03 0.00 0.10 0.00 0.00 34.13 33.04 2h61 s GLU 67 CO 0.00 0.05 0.12 0.00 0.02 0.00 0.00 175.26 175.45 2h61 n ASP 69 N 4.87 0.31 -0.05 0.00 5.68 -1.26 -0.25 116.55 125.85 2h61 n ASP 69 Ca -0.13 -1.46 -0.07 0.00 -0.50 0.00 0.00 54.79 52.63 2h61 n ASP 69 Cb 0.46 -0.63 0.11 0.00 -1.14 0.00 0.00 41.12 39.91 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 -1.25 0.79 -0.42 2.11 3.57 -1.99 0.13 116.94 119.88 2h61 h PHE 70 Ca -0.28 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 60.96 2h61 h PHE 70 Cb 0.83 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2h61 h PHE 70 CO 0.00 0.88 -0.04 0.37 -2.23 0.00 0.00 178.31 177.29 2h61 h GLN 71 N 0.60 0.76 -0.69 1.11 4.15 -1.97 0.21 115.11 119.28 2h61 h GLN 71 Ca 0.08 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 2h61 h GLN 71 Cb 0.76 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 2h61 h GLN 71 CO 0.06 0.86 0.43 0.93 -1.93 0.00 0.00 178.83 179.18 2h61 h GLU 72 N 0.59 0.92 -0.52 1.69 5.08 -1.83 -2.23 114.58 118.28 2h61 h GLU 72 Ca 0.11 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2h61 h GLU 72 Cb 0.55 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2h61 h GLU 72 CO 0.03 0.65 0.31 0.35 -1.00 0.00 0.00 179.01 179.35 2h61 h PHE 73 N 0.93 0.58 -0.77 4.33 3.57 0.01 -2.65 116.94 122.94 2h61 h PHE 73 Ca 0.25 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.84 2h61 h PHE 73 Cb -0.05 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.45 2h61 h PHE 73 CO -0.02 0.33 0.50 0.52 -2.23 0.00 0.00 178.31 177.42 2h61 h MET 74 N 0.62 0.74 -0.67 1.11 2.86 -0.38 0.87 114.93 120.08 2h61 h MET 74 Ca 0.21 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 2h61 h MET 74 Cb 0.03 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2h61 h MET 74 CO -0.10 0.49 0.21 0.00 1.06 0.00 0.00 176.91 178.57 2h61 h ALA 75 N 1.60 0.88 -0.39 6.32 0.00 -1.16 0.29 119.26 126.80 2h61 h ALA 75 Ca 0.34 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2h61 h ALA 75 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2h61 h ALA 75 CO -0.12 0.55 -0.08 0.35 0.00 0.00 0.00 179.25 179.96 2h61 h PHE 76 N 0.98 0.83 -0.55 0.00 3.57 -1.09 -0.51 116.94 120.15 2h61 h PHE 76 Ca 0.22 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2h61 h PHE 76 Cb 0.30 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2h61 h PHE 76 CO 0.02 0.86 0.28 0.28 -2.23 0.00 0.00 178.31 177.53 2h61 h VAL 77 N 0.55 1.20 -0.51 1.41 2.07 -0.61 -0.86 116.25 119.50 2h61 h VAL 77 Ca 0.10 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2h61 h VAL 77 Cb 0.59 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2h61 h VAL 77 CO 0.03 0.22 0.27 0.00 0.02 0.00 0.00 177.57 178.11 2h61 h ALA 78 N 1.11 0.66 -0.28 1.67 0.00 -0.16 -0.12 119.26 122.13 2h61 h ALA 78 Ca 0.19 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2h61 h ALA 78 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2h61 h ALA 78 CO -0.03 -0.08 0.17 0.52 0.00 0.00 0.00 179.25 179.84 2h61 h MET 79 N 0.52 0.35 -0.30 0.00 2.07 -0.68 0.25 114.93 117.13 2h61 h MET 79 Ca 0.22 -0.02 -0.16 0.00 -2.07 0.00 0.00 59.70 57.68 2h61 h MET 79 Cb 0.12 -0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 29.77 2h61 h MET 79 CO -0.15 0.23 -0.43 0.28 1.07 0.00 0.00 176.91 177.91 2h61 h VAL 80 N 0.36 1.29 -0.30 -2.22 2.07 -0.97 0.15 116.25 116.63 2h61 h VAL 80 Ca 0.11 -1.61 -0.10 0.00 0.82 0.00 0.00 66.70 65.92 2h61 h VAL 80 Cb -0.02 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2h61 h VAL 80 CO -0.04 0.52 -0.20 0.74 0.02 0.00 0.00 177.57 178.61 2h61 h THR 81 N 0.59 1.30 -0.99 2.57 2.02 -0.92 0.70 112.91 118.19 2h61 h THR 81 Ca 0.03 -1.34 0.06 0.00 0.77 0.00 0.00 66.41 65.94 2h61 h THR 81 Cb 1.02 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 68.87 2h61 h THR 81 CO 0.10 0.43 0.64 0.74 0.37 0.00 0.00 175.52 177.80 2h61 h THR 82 N 0.42 1.09 -0.65 3.16 2.02 -0.37 0.10 112.91 118.69 2h61 h THR 82 Ca 0.06 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 2h61 h THR 82 Cb 0.75 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 2h61 h THR 82 CO 0.06 0.21 0.18 0.00 0.37 0.00 0.00 175.52 176.33 2h61 h ALA 83 N 1.46 0.85 -0.52 6.16 0.00 -0.45 -2.33 119.26 124.44 2h61 h ALA 83 Ca 0.42 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2h61 h ALA 83 Cb 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2h61 h ALA 83 CO -0.16 0.55 0.24 0.00 0.00 0.00 0.00 179.25 179.87 2h61 h HIS 85 N 0.46 0.00 -0.02 0.00 6.17 -0.29 -1.57 115.15 119.90 2h61 h HIS 85 Ca 0.24 0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.32 2h61 h HIS 85 Cb 0.19 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.12 2h61 h HIS 85 CO -0.12 0.01 0.32 1.49 0.71 0.00 0.00 177.93 180.34 2h61 h GLU 86 N 0.00 0.00 0.00 5.26 4.57 -1.02 0.21 114.58 123.60 2h61 h GLU 86 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2h61 h GLU 86 Cb 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2h61 h GLU 86 CO 0.00 0.00 0.00 0.35 -1.18 0.00 0.00 179.01 178.18 2h61 h PHE 87 N 0.00 0.00 -0.26 0.92 3.57 -1.45 -1.81 116.94 117.90 2h61 h PHE 87 Ca 0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2h61 h PHE 87 Cb 0.66 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2h61 h PHE 87 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 2h61 n PHE 88 N -2.88 0.93 0.71 0.41 3.72 0.73 -5.22 117.46 115.87 2h61 n PHE 88 Ca -0.02 -0.91 0.09 0.00 -0.05 0.00 0.00 57.45 56.55 2h61 n PHE 88 Cb 0.08 -0.32 0.07 0.00 -0.94 0.00 0.00 39.48 38.37 2h61 n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10