#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 3.86 0.27 7.83 1.04 -1.26 -4.81 113.70 120.63 2h61 s SER 1 Ca 0.00 0.79 -0.03 0.00 0.48 0.00 0.00 55.95 57.18 2h61 s SER 1 Cb 0.00 -1.25 0.34 0.00 0.10 0.00 0.00 66.02 65.22 2h61 s SER 1 CO 0.00 -2.31 1.85 -0.33 0.98 0.00 0.00 173.24 173.43 2h61 h GLU 2 N -1.34 0.99 -0.63 4.02 4.39 -2.05 -1.13 114.58 118.84 2h61 h GLU 2 Ca -0.47 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.06 2h61 h GLU 2 Cb 1.32 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 2h61 h GLU 2 CO 0.60 0.80 0.38 1.25 -1.16 0.00 0.00 179.01 180.88 2h61 h LEU 3 N 0.97 0.75 -0.46 1.33 5.85 -1.99 0.04 115.31 121.80 2h61 h LEU 3 Ca 0.23 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 2h61 h LEU 3 Cb 0.18 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2h61 h LEU 3 CO -0.02 0.59 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.32 2h61 h GLU 4 N 0.85 0.82 -0.93 1.25 5.08 -1.83 -0.84 114.58 118.98 2h61 h GLU 4 Ca 0.22 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2h61 h GLU 4 Cb -0.02 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2h61 h GLU 4 CO -0.04 0.89 0.61 0.87 -1.00 0.00 0.00 179.01 180.34 2h61 h LYS 5 N 0.67 1.20 -0.45 2.33 1.57 -1.13 -1.73 116.57 119.04 2h61 h LYS 5 Ca 0.13 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 2h61 h LYS 5 Cb 0.53 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2h61 h LYS 5 CO 0.03 0.80 -0.14 0.00 -0.57 0.00 0.00 179.45 179.56 2h61 h ALA 6 N 1.43 0.90 -0.40 3.86 0.00 -0.50 -0.45 119.26 124.11 2h61 h ALA 6 Ca 0.34 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2h61 h ALA 6 Cb -0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2h61 h ALA 6 CO -0.08 0.63 0.18 0.52 0.00 0.00 0.00 179.25 180.49 2h61 h MET 7 N 0.75 0.59 -0.20 0.00 2.86 -0.49 -2.01 114.93 116.42 2h61 h MET 7 Ca 0.12 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2h61 h MET 7 Cb 0.66 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2h61 h MET 7 CO 0.05 0.54 -0.14 0.28 1.06 0.00 0.00 176.91 178.69 2h61 h VAL 8 N 0.50 1.21 0.00 -2.22 2.07 -1.08 -1.68 116.25 115.05 2h61 h VAL 8 Ca 0.14 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 2h61 h VAL 8 Cb 0.16 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2h61 h VAL 8 CO -0.01 0.29 -0.31 0.00 0.02 0.00 0.00 177.57 177.56 2h61 h ALA 9 N 1.55 1.32 -0.30 1.67 0.00 -0.60 0.92 119.26 123.81 2h61 h ALA 9 Ca 0.06 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2h61 h ALA 9 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2h61 h ALA 9 CO 0.03 0.39 -0.24 -0.07 0.00 0.00 0.00 179.25 179.35 2h61 h LEU 10 N 0.00 0.73 0.08 0.00 3.38 -0.60 -2.10 115.31 116.80 2h61 h LEU 10 Ca -0.00 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2h61 h LEU 10 Cb 0.61 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2h61 h LEU 10 CO 0.04 1.02 -0.04 0.40 0.09 0.00 0.00 178.44 179.96 2h61 h ILE 11 N 0.44 1.01 -0.32 1.22 2.04 -1.20 -2.52 117.51 118.18 2h61 h ILE 11 Ca 0.05 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.67 2h61 h ILE 11 Cb 0.80 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 2h61 h ILE 11 CO 0.06 0.08 -0.12 -0.78 0.00 0.00 0.00 178.15 177.39 2h61 h ASP 12 N -0.24 -0.41 -0.28 1.72 3.58 -0.81 -1.41 116.42 118.57 2h61 h ASP 12 Ca -0.01 0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.44 2h61 h ASP 12 Cb 0.21 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2h61 h ASP 12 CO 0.02 -0.15 -0.21 1.62 -2.88 0.00 0.00 179.24 177.64 2h61 h VAL 13 N -0.05 1.27 -0.08 2.25 3.04 -1.39 -1.51 116.25 119.77 2h61 h VAL 13 Ca 0.16 -1.31 0.04 0.00 -1.01 0.00 0.00 66.70 64.58 2h61 h VAL 13 Cb 0.30 1.20 -0.05 0.00 -2.01 0.00 0.00 31.29 30.73 2h61 h VAL 13 CO -0.36 0.44 -0.21 0.15 -1.01 0.00 0.00 177.57 176.58 2h61 h PHE 14 N 0.66 -0.55 -0.56 3.17 3.57 -0.98 -2.53 116.94 119.72 2h61 h PHE 14 Ca 0.09 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.71 2h61 h PHE 14 Cb 0.71 0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.63 2h61 h PHE 14 CO 0.04 -0.29 0.17 0.45 -2.23 0.00 0.00 178.31 176.45 2h61 h HIS 15 N -0.29 0.29 -0.53 0.41 3.86 -0.67 0.38 115.15 118.60 2h61 h HIS 15 Ca 0.09 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.43 2h61 h HIS 15 Cb 0.41 -0.04 -0.09 0.00 1.06 0.00 0.00 27.41 28.75 2h61 h HIS 15 CO -0.29 0.05 -0.00 0.37 0.86 0.00 0.00 177.93 178.91 2h61 h GLN 16 N 0.33 0.11 0.10 2.45 4.15 -0.89 -1.80 115.11 119.55 2h61 h GLN 16 Ca 0.28 -0.01 -0.36 0.00 0.77 0.00 0.00 58.65 59.33 2h61 h GLN 16 Cb 0.36 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 2h61 h GLN 16 CO -0.32 0.07 -2.05 0.66 -1.93 0.00 0.00 178.83 175.27 2h61 n TYR 17 N -5.25 1.06 -0.22 3.99 4.02 -0.89 -4.23 117.16 115.64 2h61 n TYR 17 Ca 0.06 0.23 -0.01 0.00 -0.01 0.00 0.00 57.90 58.18 2h61 n TYR 17 Cb 0.29 -1.14 0.20 0.00 -0.02 0.00 0.00 39.34 38.67 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 0.06 0.90 0.82 7.72 4.64 -0.19 -2.92 113.55 124.58 2h61 h SER 18 Ca -0.44 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2h61 h SER 18 Cb 2.02 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 2h61 h SER 18 CO 0.06 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 2h61 n GLY 19 N -1.24 -1.33 0.23 -0.77 0.00 -0.68 -4.07 105.19 97.32 2h61 n GLY 19 Ca 0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 0.69 -3.45 1.61 3.08 -1.69 -3.46 114.38 111.17 2h61 h ARG 20 Ca 0.00 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 2h61 h ARG 20 Cb 0.41 -0.16 -0.25 0.00 0.08 0.00 0.00 29.97 30.06 2h61 h ARG 20 CO 0.00 0.46 -0.54 -2.00 -1.07 0.00 0.00 179.97 176.82 2h61 s GLU 21 N -6.14 0.26 5.66 0.04 2.56 -1.26 -5.11 118.70 114.71 2h61 s GLU 21 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.97 54.84 2h61 s GLU 21 Cb 0.13 0.12 0.00 0.00 2.00 0.00 0.00 34.13 36.38 2h61 s GLU 21 CO 0.75 -0.05 0.00 0.41 -0.56 0.00 0.00 175.26 175.81 2h61 n GLY 22 N 2.51 2.99 3.54 -1.50 0.00 -1.26 -4.34 105.19 107.13 2h61 n GLY 22 Ca -0.16 -0.25 -0.49 0.00 0.00 0.00 0.00 46.02 45.12 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 1.90 2.64 0.00 1.61 -0.08 -1.26 -4.84 116.55 116.51 2h61 n ASP 23 Ca 0.00 0.53 0.09 0.00 -1.51 0.00 0.00 54.79 53.90 2h61 n ASP 23 Cb 0.00 -1.33 0.44 0.00 2.34 0.00 0.00 41.12 42.57 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 7.80 0.24 -0.11 -0.67 5.02 -1.26 -2.67 118.16 126.51 2h61 n LYS 24 Ca 0.34 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.83 2h61 n LYS 24 Cb 0.28 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.30 0.29 -4.15 2.13 8.25 -1.26 -3.41 115.22 115.77 2h61 n HIS 25 Ca 0.08 -0.24 -0.17 0.00 -0.26 0.00 0.00 57.72 57.13 2h61 n HIS 25 Cb 0.14 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.13 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 -1.10 0.76 -0.24 -0.41 1.02 -1.09 -4.28 119.74 114.40 2h61 s LYS 26 Ca 0.23 -0.94 -0.20 0.00 0.02 0.00 0.00 55.97 55.08 2h61 s LYS 26 Cb 0.14 -0.68 -0.02 0.00 -0.52 0.00 0.00 37.83 36.74 2h61 s LYS 26 CO 0.19 0.14 0.61 -0.51 -0.92 0.00 0.00 175.35 174.87 2h61 s LEU 27 N -1.79 4.08 0.84 3.17 1.43 0.38 -4.51 118.68 122.29 2h61 s LEU 27 Ca -0.03 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 2h61 s LEU 27 Cb -0.09 -2.83 0.12 0.00 0.03 0.00 0.00 46.19 43.41 2h61 s LEU 27 CO 0.02 -0.33 1.20 -1.59 0.23 0.00 0.00 176.35 175.88 2h61 s LYS 28 N 2.31 1.58 0.21 1.70 -2.85 -1.26 -0.05 119.74 121.38 2h61 s LYS 28 Ca 0.26 -0.11 -0.09 0.00 -1.00 0.00 0.00 55.97 55.03 2h61 s LYS 28 Cb -0.16 -1.95 0.30 0.00 -2.06 0.00 0.00 37.83 33.96 2h61 s LYS 28 CO 0.09 -1.81 1.73 0.87 0.10 0.00 0.00 175.35 176.33 2h61 h LYS 29 N -1.18 0.34 -0.51 1.78 1.57 -1.97 -1.21 116.57 115.39 2h61 h LYS 29 Ca -0.45 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.22 2h61 h LYS 29 Cb 1.30 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 2h61 h LYS 29 CO 0.56 0.22 -0.04 0.66 -0.57 0.00 0.00 179.45 180.29 2h61 h SER 30 N 0.35 0.88 -0.65 0.86 4.64 -1.98 -1.10 113.55 116.54 2h61 h SER 30 Ca 0.32 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 2h61 h SER 30 Cb 0.43 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 2h61 h SER 30 CO -0.35 0.96 0.16 -0.33 -0.87 0.00 0.00 176.83 176.40 2h61 h GLU 31 N 0.82 1.05 -0.20 4.77 5.08 -1.72 -1.91 114.58 122.47 2h61 h GLU 31 Ca 0.15 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2h61 h GLU 31 Cb 0.54 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2h61 h GLU 31 CO 0.03 0.94 -0.04 1.25 -1.00 0.00 0.00 179.01 180.19 2h61 h LEU 32 N 0.97 0.39 -0.53 1.33 5.85 -1.09 -2.22 115.31 120.01 2h61 h LEU 32 Ca 0.21 -0.36 0.11 0.00 0.84 0.00 0.00 57.88 58.67 2h61 h LEU 32 Cb 0.37 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.19 2h61 h LEU 32 CO 0.00 0.65 -0.18 0.50 -0.34 0.00 0.00 178.44 179.08 2h61 h LYS 33 N 0.11 -0.05 -0.70 1.25 3.64 -1.14 -1.81 116.57 117.87 2h61 h LYS 33 Ca 0.05 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2h61 h LYS 33 Cb 0.48 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2h61 h LYS 33 CO 0.02 -0.03 0.24 0.93 -2.27 0.00 0.00 179.45 178.34 2h61 h GLU 34 N -0.05 1.07 -0.41 1.90 5.08 -1.24 -0.98 114.58 119.94 2h61 h GLU 34 Ca 0.25 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2h61 h GLU 34 Cb 0.44 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2h61 h GLU 34 CO -0.57 0.91 0.19 1.25 -1.00 0.00 0.00 179.01 179.79 2h61 h LEU 35 N 1.01 0.54 -0.32 1.33 6.46 -1.03 0.17 115.31 123.48 2h61 h LEU 35 Ca 0.23 -0.13 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 2h61 h LEU 35 Cb 0.26 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 2h61 h LEU 35 CO -0.01 0.52 0.01 0.40 -0.62 0.00 0.00 178.44 178.73 2h61 h ILE 36 N 0.52 1.25 0.00 4.05 2.04 -1.20 0.42 117.51 124.60 2h61 h ILE 36 Ca 0.14 -0.93 -0.14 0.00 1.00 0.00 0.00 64.86 64.92 2h61 h ILE 36 Cb 0.12 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2h61 h ILE 36 CO -0.02 0.30 -0.68 0.78 0.00 0.00 0.00 178.15 178.54 2h61 h ASN 37 N 0.36 0.00 0.34 1.72 2.35 -0.81 -1.43 115.58 118.10 2h61 h ASN 37 Ca 0.09 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.54 2h61 h ASN 37 Cb 0.43 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.75 2h61 h ASN 37 CO 0.01 0.68 -1.91 0.59 -1.65 0.00 0.00 177.43 175.15 2h61 n ASN 38 N -3.64 0.56 -0.00 5.81 3.02 0.56 -4.38 115.26 117.20 2h61 n ASN 38 Ca -0.01 0.26 0.02 0.00 -0.03 0.00 0.00 54.58 54.83 2h61 n ASN 38 Cb 0.69 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 40.19 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 -2.91 2.85 -0.91 3.52 -0.58 0.13 -4.50 120.64 118.24 2h61 n GLU 39 Ca -0.21 -0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.50 2h61 n GLU 39 Cb 1.05 -0.90 0.17 0.00 -0.57 0.00 0.00 31.44 31.19 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 3.23 -0.05 -4.62 4.77 -0.54 -4.81 117.00 113.60 2h61 n LEU 40 Ca -0.00 -4.08 0.15 0.00 -0.03 0.00 0.00 56.01 52.04 2h61 n LEU 40 Cb 0.09 -0.49 0.73 0.00 -2.33 0.00 0.00 43.42 41.41 2h61 n LEU 40 CO 0.09 1.55 0.98 -1.54 -1.33 0.00 0.00 177.39 177.13 2h61 n SER 41 N -1.03 0.21 -0.02 -1.43 3.41 -1.23 -0.51 113.62 113.01 2h61 n SER 41 Ca 0.25 -0.47 0.03 0.00 -0.26 0.00 0.00 58.87 58.41 2h61 n SER 41 Cb 0.76 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 2h61 n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2h61 n HIS 42 N -1.08 0.00 -0.03 7.33 8.25 -1.26 -4.66 115.22 123.77 2h61 n HIS 42 Ca 0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.59 2h61 n HIS 42 Cb 0.24 -0.41 -0.14 0.00 1.12 0.00 0.00 29.99 30.80 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 -2.12 0.39 -4.30 4.41 3.72 -0.93 -4.98 117.46 113.64 2h61 n PHE 43 Ca -0.08 0.13 -0.21 0.00 -0.05 0.00 0.00 57.45 57.24 2h61 n PHE 43 Cb 0.52 -0.94 -0.11 0.00 -0.94 0.00 0.00 39.48 38.01 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 -5.43 2.41 0.36 4.37 1.43 0.34 -5.10 118.68 117.06 2h61 s LEU 44 Ca -0.07 -0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 51.95 2h61 s LEU 44 Cb 0.09 -0.75 -0.09 0.00 0.03 0.00 0.00 46.19 45.47 2h61 s LEU 44 CO 0.84 -0.06 1.08 -1.61 0.23 0.00 0.00 176.35 176.84 2h61 s GLU 45 N -2.65 4.28 0.30 1.70 2.02 -1.26 -4.50 118.70 118.59 2h61 s GLU 45 Ca 0.12 1.65 -0.29 0.00 0.02 0.00 0.00 54.97 56.47 2h61 s GLU 45 Cb -0.06 -2.75 -0.13 0.00 0.10 0.00 0.00 34.13 31.29 2h61 s GLU 45 CO 0.05 -0.07 1.35 -1.91 0.02 0.00 0.00 175.26 174.70 2h61 n GLU 46 N 0.32 2.11 -2.88 1.61 2.13 -1.26 -4.91 120.64 117.75 2h61 n GLU 46 Ca 0.03 0.74 -0.42 0.00 0.66 0.00 0.00 57.16 58.17 2h61 n GLU 46 Cb 0.48 -2.36 -0.04 0.00 0.27 0.00 0.00 31.44 29.78 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 -0.62 4.72 -0.15 6.31 -1.09 -1.26 -4.90 121.20 124.20 2h61 s ILE 47 Ca 0.61 1.23 -0.12 0.00 -2.23 0.00 0.00 60.65 60.14 2h61 s ILE 47 Cb -0.60 -4.22 -0.07 0.00 -1.58 0.00 0.00 42.46 36.00 2h61 s ILE 47 CO 0.56 -0.35 -0.26 0.29 -1.23 0.00 0.00 174.94 173.96 2h61 n LYS 48 N 6.41 0.41 -2.33 2.79 5.02 -1.26 -5.00 118.16 124.20 2h61 n LYS 48 Ca 0.05 0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 56.10 2h61 n LYS 48 Cb 0.48 -1.21 -0.03 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.54 4.45 0.27 1.97 0.41 -1.26 -4.92 118.70 117.08 2h61 s GLU 49 Ca -0.25 1.91 -0.00 0.00 -0.41 0.00 0.00 54.97 56.22 2h61 s GLU 49 Cb 0.07 -3.25 0.59 0.00 -1.78 0.00 0.00 34.13 29.77 2h61 s GLU 49 CO 0.34 -0.18 1.70 0.37 -0.49 0.00 0.00 175.26 177.00 2h61 h GLN 50 N 5.62 0.36 -0.94 1.61 5.75 -2.00 -1.60 115.11 123.91 2h61 h GLN 50 Ca -0.44 -0.02 0.19 0.00 -0.15 0.00 0.00 58.65 58.23 2h61 h GLN 50 Cb 1.21 -0.08 -0.08 0.00 1.07 0.00 0.00 27.48 29.60 2h61 h GLN 50 CO 0.77 0.24 0.60 0.93 -2.65 0.00 0.00 178.83 178.72 2h61 h GLU 51 N 0.37 0.56 -0.22 1.69 4.39 -1.99 -0.27 114.58 119.11 2h61 h GLU 51 Ca 0.49 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.11 2h61 h GLU 51 Cb 0.87 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2h61 h GLU 51 CO -0.50 0.37 -0.04 0.28 -1.16 0.00 0.00 179.01 177.96 2h61 h VAL 52 N 0.58 1.28 -0.75 3.13 2.07 -1.68 -0.94 116.25 119.94 2h61 h VAL 52 Ca 0.50 -1.01 0.08 0.00 0.82 0.00 0.00 66.70 67.10 2h61 h VAL 52 Cb 1.01 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.21 2h61 h VAL 52 CO -0.25 0.31 0.41 0.58 0.02 0.00 0.00 177.57 178.64 2h61 h VAL 53 N 0.15 0.91 -0.55 2.57 2.07 -1.03 -0.89 116.25 119.48 2h61 h VAL 53 Ca 0.06 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2h61 h VAL 53 Cb 0.48 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2h61 h VAL 53 CO 0.02 0.13 0.23 0.44 0.02 0.00 0.00 177.57 178.41 2h61 h ASP 54 N 0.71 0.74 -0.15 0.57 3.32 -0.93 -1.73 116.42 118.95 2h61 h ASP 54 Ca 0.36 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 2h61 h ASP 54 Cb 0.32 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2h61 h ASP 54 CO -0.24 0.69 -0.29 0.11 -1.72 0.00 0.00 179.24 177.80 2h61 h LYS 55 N 0.74 0.46 -0.13 3.56 1.79 -0.62 -2.08 116.57 120.30 2h61 h LYS 55 Ca 0.18 -0.30 0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2h61 h LYS 55 Cb 0.17 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 2h61 h LYS 55 CO -0.02 0.90 -0.05 0.28 -1.08 0.00 0.00 179.45 179.48 2h61 h VAL 56 N 0.08 0.82 -0.78 0.50 2.07 -1.08 0.52 116.25 118.38 2h61 h VAL 56 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2h61 h VAL 56 Cb 0.88 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2h61 h VAL 56 CO 0.06 0.00 0.51 -0.03 0.02 0.00 0.00 177.57 178.14 2h61 h MET 57 N -0.04 1.00 -0.82 1.57 1.85 -1.30 -0.25 114.93 116.93 2h61 h MET 57 Ca 0.07 -0.06 0.03 0.00 -0.61 0.00 0.00 59.70 59.13 2h61 h MET 57 Cb 0.14 -0.23 -0.05 0.00 0.43 0.00 0.00 31.60 31.90 2h61 h MET 57 CO -0.15 0.66 0.54 1.49 -0.40 0.00 0.00 176.91 179.05 2h61 h GLU 58 N 1.03 1.01 -0.64 0.39 4.57 -1.00 0.20 114.58 120.14 2h61 h GLU 58 Ca 0.30 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.44 2h61 h GLU 58 Cb -0.07 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.25 2h61 h GLU 58 CO -0.08 0.67 0.40 1.15 -1.18 0.00 0.00 179.01 179.97 2h61 h THR 59 N 1.04 1.09 0.00 0.32 2.02 0.79 -3.31 112.91 114.86 2h61 h THR 59 Ca 0.32 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 67.09 2h61 h THR 59 Cb -0.00 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 2h61 h THR 59 CO -0.09 0.14 -1.36 0.18 0.37 0.00 0.00 175.52 174.76 2h61 n LEU 60 N -4.70 0.83 -4.48 2.58 4.77 -0.54 -4.79 117.00 110.67 2h61 n LEU 60 Ca 0.06 0.36 -0.43 0.00 -0.03 0.00 0.00 56.01 55.97 2h61 n LEU 60 Cb 0.07 0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2h61 n LEU 60 CO 0.33 0.08 0.84 -0.62 -1.33 0.00 0.00 177.39 176.70 2h61 s ASP 61 N -5.67 6.18 0.15 -1.43 2.15 0.63 -4.81 116.67 113.87 2h61 s ASP 61 Ca -0.03 -0.82 0.22 0.00 0.43 0.00 0.00 52.55 52.35 2h61 s ASP 61 Cb 0.09 -2.45 -0.05 0.00 -0.30 0.00 0.00 42.92 40.21 2h61 s ASP 61 CO 0.81 -1.51 0.94 0.59 -0.17 0.00 0.00 175.17 175.84 2h61 n ASN 62 N 8.04 0.67 -0.78 -0.34 3.02 -1.26 -4.25 115.26 120.36 2h61 n ASN 62 Ca -0.02 0.23 0.07 0.00 -0.03 0.00 0.00 54.58 54.83 2h61 n ASN 62 Cb 0.46 0.75 0.20 0.00 -0.61 0.00 0.00 39.78 40.58 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 -2.54 3.31 0.00 6.41 5.68 -1.26 -4.98 116.55 123.16 2h61 n ASP 63 Ca -0.01 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.00 2h61 n ASP 63 Cb 0.54 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 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 0.32 2.72 0.00 6.12 0.00 -1.26 -4.88 105.19 108.21 2h61 n GLY 64 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 0.00 0.00 1.61 5.75 -1.26 -4.86 116.55 117.79 2h61 n ASP 65 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 2h61 n ASP 65 Cb 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 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 0.29 0.80 3.53 6.12 0.00 -1.26 -5.01 105.19 109.65 2h61 n GLY 66 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.05 1.85 -0.22 1.61 2.02 -1.26 -4.55 118.70 118.10 2h61 s GLU 67 Ca 0.00 -2.09 -0.02 0.00 0.02 0.00 0.00 54.97 52.88 2h61 s GLU 67 Cb 0.00 -0.91 0.01 0.00 0.10 0.00 0.00 34.13 33.33 2h61 s GLU 67 CO 0.00 -0.31 -0.09 0.00 0.02 0.00 0.00 175.26 174.88 2h61 n ASP 69 N 4.71 0.80 -0.23 0.00 5.68 -1.26 -0.47 116.55 125.77 2h61 n ASP 69 Ca -0.18 -1.77 -0.07 0.00 -0.50 0.00 0.00 54.79 52.26 2h61 n ASP 69 Cb 0.49 -0.63 0.04 0.00 -1.14 0.00 0.00 41.12 39.88 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 -0.90 1.05 -0.53 2.11 3.57 -1.99 -0.53 116.94 119.72 2h61 h PHE 70 Ca -0.30 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.14 2h61 h PHE 70 Cb 1.00 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 2h61 h PHE 70 CO 0.00 0.86 0.27 0.37 -2.23 0.00 0.00 178.31 177.58 2h61 h GLN 71 N 0.94 0.51 -0.43 1.11 4.15 -1.96 0.22 115.11 119.66 2h61 h GLN 71 Ca 0.21 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.52 2h61 h GLN 71 Cb 0.30 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2h61 h GLN 71 CO -0.01 0.34 -0.06 0.93 -1.93 0.00 0.00 178.83 178.10 2h61 h GLU 72 N 0.53 0.73 -0.59 1.69 5.08 -1.83 -2.70 114.58 117.48 2h61 h GLU 72 Ca 0.23 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2h61 h GLU 72 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2h61 h GLU 72 CO -0.16 0.78 0.12 0.35 -1.00 0.00 0.00 179.01 179.11 2h61 h PHE 73 N 0.67 1.02 -0.42 4.33 3.57 -0.39 -2.13 116.94 123.60 2h61 h PHE 73 Ca 0.12 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2h61 h PHE 73 Cb 0.50 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2h61 h PHE 73 CO 0.02 0.87 0.28 0.52 -2.23 0.00 0.00 178.31 177.78 2h61 h MET 74 N 0.87 0.38 -0.22 1.11 2.86 -0.33 0.10 114.93 119.71 2h61 h MET 74 Ca 0.18 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.63 2h61 h MET 74 Cb 0.38 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 2h61 h MET 74 CO 0.01 0.25 -0.54 0.00 1.06 0.00 0.00 176.91 177.69 2h61 h ALA 75 N 1.77 0.64 -0.23 6.32 0.00 -1.21 -1.13 119.26 125.42 2h61 h ALA 75 Ca 0.17 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2h61 h ALA 75 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2h61 h ALA 75 CO -0.04 0.68 0.02 0.35 0.00 0.00 0.00 179.25 180.26 2h61 h PHE 76 N 0.51 0.03 -0.60 0.00 3.57 -0.71 -1.82 116.94 117.91 2h61 h PHE 76 Ca 0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 2h61 h PHE 76 Cb 1.10 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 2h61 h PHE 76 CO 0.05 -0.01 0.35 0.28 -2.23 0.00 0.00 178.31 176.75 2h61 h VAL 77 N 0.10 1.02 -0.73 1.41 2.07 -0.58 -1.07 116.25 118.48 2h61 h VAL 77 Ca 0.11 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2h61 h VAL 77 Cb 0.12 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 2h61 h VAL 77 CO -0.16 0.12 0.45 0.00 0.02 0.00 0.00 177.57 178.00 2h61 h ALA 78 N 1.29 1.42 0.08 1.67 0.00 -1.01 0.38 119.26 123.08 2h61 h ALA 78 Ca 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2h61 h ALA 78 Cb 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2h61 h ALA 78 CO -0.13 0.51 -0.04 0.52 0.00 0.00 0.00 179.25 180.11 2h61 h MET 79 N 1.00 -0.10 -0.53 0.00 2.07 -0.38 0.61 114.93 117.60 2h61 h MET 79 Ca 0.26 0.01 -0.05 0.00 -2.07 0.00 0.00 59.70 57.85 2h61 h MET 79 Cb -0.06 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.67 2h61 h MET 79 CO -0.05 0.15 0.14 0.28 1.07 0.00 0.00 176.91 178.50 2h61 h VAL 80 N -0.33 1.24 -0.81 -2.22 2.07 -1.09 -1.87 116.25 113.23 2h61 h VAL 80 Ca -0.01 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2h61 h VAL 80 Cb 0.29 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2h61 h VAL 80 CO 0.02 0.31 0.48 0.74 0.02 0.00 0.00 177.57 179.14 2h61 h THR 81 N 0.74 1.23 -0.12 2.57 2.02 -0.85 -0.64 112.91 117.86 2h61 h THR 81 Ca 0.17 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 2h61 h THR 81 Cb 0.32 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2h61 h THR 81 CO -0.00 0.24 0.07 0.74 0.37 0.00 0.00 175.52 176.95 2h61 h THR 82 N 1.12 1.05 -0.83 3.16 2.02 -0.71 0.31 112.91 119.03 2h61 h THR 82 Ca 0.29 -0.13 0.15 0.00 0.77 0.00 0.00 66.41 67.49 2h61 h THR 82 Cb -0.03 0.93 -0.10 0.00 -1.74 0.00 0.00 68.15 67.22 2h61 h THR 82 CO -0.05 0.05 0.39 0.00 0.37 0.00 0.00 175.52 176.28 2h61 h ALA 83 N 1.01 1.23 -0.41 6.16 0.00 -1.08 0.28 119.26 126.45 2h61 h ALA 83 Ca 0.04 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2h61 h ALA 83 Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2h61 h ALA 83 CO -0.01 -0.15 -0.18 0.00 0.00 0.00 0.00 179.25 178.92 2h61 h HIS 85 N 0.66 0.42 -0.20 0.00 6.17 0.15 -1.99 115.15 120.36 2h61 h HIS 85 Ca 0.09 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.10 2h61 h HIS 85 Cb 0.73 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.54 2h61 h HIS 85 CO 0.06 0.17 -0.30 0.93 0.71 0.00 0.00 177.93 179.50 2h61 h GLU 86 N 0.45 0.39 -0.51 5.26 5.08 -0.24 -2.79 114.58 122.23 2h61 h GLU 86 Ca 0.24 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2h61 h GLU 86 Cb 0.21 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2h61 h GLU 86 CO -0.21 0.66 0.26 0.35 -1.00 0.00 0.00 179.01 179.07 2h61 h PHE 87 N 0.34 0.48 -4.28 4.33 3.57 -0.60 -3.45 116.94 117.34 2h61 h PHE 87 Ca 0.05 0.02 -0.49 0.00 3.53 0.00 0.00 57.97 61.08 2h61 h PHE 87 Cb 0.70 -0.14 0.11 0.00 2.79 0.00 0.00 35.95 39.41 2h61 h PHE 87 CO 0.02 0.24 0.33 -0.06 -2.23 0.00 0.00 178.31 176.61 2h61 s PHE 88 N -6.13 2.79 -0.03 0.41 0.08 -0.82 -5.08 117.98 109.19 2h61 s PHE 88 Ca -0.13 1.15 -0.17 0.00 0.12 0.00 0.00 56.93 57.91 2h61 s PHE 88 Cb 0.14 -3.13 -0.05 0.00 -0.57 0.00 0.00 43.02 39.40 2h61 s PHE 88 CO 0.74 -1.82 0.46 -2.00 -0.10 0.00 0.00 175.22 172.49 2h61 s GLU 89 N -5.14 4.11 -0.11 0.44 2.56 -1.26 -5.00 118.70 114.31 2h61 s GLU 89 Ca 0.61 0.48 0.18 0.00 0.00 0.00 0.00 54.97 56.24 2h61 s GLU 89 Cb -0.15 -3.30 0.41 0.00 2.00 0.00 0.00 34.13 33.09 2h61 s GLU 89 CO 0.54 0.51 1.19 0.72 -0.56 0.00 0.00 175.26 177.66 2h61 n HIS 90 N 2.41 0.00 -0.08 5.30 8.25 -1.26 -5.19 115.22 124.66 2h61 n HIS 90 Ca -0.11 -0.98 0.00 0.00 -0.26 0.00 0.00 57.72 56.37 2h61 n HIS 90 Cb 0.52 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.43 2h61 n HIS 90 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07