#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d0y h GLU 2 N 0.00 0.48 -0.27 4.33 4.39 -2.05 0.12 114.58 121.58 3d0y h GLU 2 Ca 0.00 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 3d0y h GLU 2 Cb 0.00 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3d0y h GLU 2 CO 0.00 0.32 -0.03 1.25 -1.16 0.00 0.00 179.01 179.39 3d0y h LEU 3 N 0.50 0.49 -0.81 1.33 5.85 -2.06 -1.48 115.31 119.14 3d0y h LEU 3 Ca 0.45 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3d0y h LEU 3 Cb 0.70 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3d0y h LEU 3 CO -0.41 0.71 0.53 -0.33 -0.34 0.00 0.00 178.44 178.60 3d0y h GLU 4 N 0.26 1.07 -0.66 1.25 5.08 -1.91 -0.86 114.58 118.81 3d0y h GLU 4 Ca 0.07 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3d0y h GLU 4 Cb 0.47 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3d0y h GLU 4 CO 0.02 0.71 0.41 0.87 -1.00 0.00 0.00 179.01 180.02 3d0y h LYS 5 N 1.10 0.78 -0.68 2.33 1.57 -0.65 -1.68 116.57 119.34 3d0y h LYS 5 Ca 0.30 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3d0y h LYS 5 Cb -0.12 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 31.98 3d0y h LYS 5 CO -0.06 0.52 0.24 0.00 -0.57 0.00 0.00 179.45 179.58 3d0y h ALA 6 N 1.28 0.88 -0.38 3.86 0.00 -0.66 -0.77 119.26 123.47 3d0y h ALA 6 Ca 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3d0y h ALA 6 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3d0y h ALA 6 CO -0.10 0.53 0.18 0.52 0.00 0.00 0.00 179.25 180.37 3d0y h MET 7 N 0.97 0.56 -0.90 0.00 2.86 -0.86 -1.26 114.93 116.30 3d0y h MET 7 Ca 0.22 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3d0y h MET 7 Cb 0.25 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 3d0y h MET 7 CO -0.01 0.51 0.50 0.28 1.06 0.00 0.00 176.91 179.24 3d0y h VAL 8 N 0.48 1.26 -0.52 -2.22 2.07 -1.08 -2.45 116.25 113.78 3d0y h VAL 8 Ca 0.13 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 3d0y h VAL 8 Cb 0.14 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 3d0y h VAL 8 CO -0.01 0.29 0.16 0.00 0.02 0.00 0.00 177.57 178.02 3d0y h ALA 9 N 1.29 1.31 -0.61 1.67 0.00 -0.50 0.45 119.26 122.88 3d0y h ALA 9 Ca 0.32 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3d0y h ALA 9 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3d0y h ALA 9 CO -0.05 0.50 0.20 -0.07 0.00 0.00 0.00 179.25 179.83 3d0y h LEU 10 N 0.75 0.87 -0.55 0.00 3.38 -0.81 -1.75 115.31 117.19 3d0y h LEU 10 Ca 0.17 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3d0y h LEU 10 Cb 0.23 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3d0y h LEU 10 CO -0.01 0.84 0.10 0.40 0.09 0.00 0.00 178.44 179.85 3d0y h ILE 11 N 0.86 1.25 0.20 1.22 2.04 -1.01 -2.37 117.51 119.70 3d0y h ILE 11 Ca 0.20 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 3d0y h ILE 11 Cb 0.27 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3d0y h ILE 11 CO -0.01 0.35 -0.15 0.44 0.00 0.00 0.00 178.15 178.78 3d0y h ASP 12 N 0.80 -0.37 -0.35 1.72 3.45 -0.75 -1.59 116.42 119.33 3d0y h ASP 12 Ca 0.17 0.03 -0.10 0.00 0.43 0.00 0.00 57.03 57.56 3d0y h ASP 12 Cb 0.40 0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 3d0y h ASP 12 CO 0.01 -0.23 -0.14 1.62 -1.57 0.00 0.00 179.24 178.93 3d0y h VAL 13 N -0.35 1.26 0.02 -1.35 3.04 -1.33 -0.42 116.25 117.12 3d0y h VAL 13 Ca -0.01 -1.22 0.03 0.00 -1.01 0.00 0.00 66.70 64.48 3d0y h VAL 13 Cb 0.31 1.08 -0.04 0.00 -2.01 0.00 0.00 31.29 30.63 3d0y h VAL 13 CO 0.00 0.42 -0.20 0.15 -1.01 0.00 0.00 177.57 176.93 3d0y h PHE 14 N 0.72 -0.52 -0.79 3.17 3.57 -1.25 -2.80 116.94 119.04 3d0y h PHE 14 Ca 0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3d0y h PHE 14 Cb 0.64 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 3d0y h PHE 14 CO 0.03 -0.28 0.32 0.45 -2.23 0.00 0.00 178.31 176.60 3d0y h HIS 15 N -0.32 1.20 -0.74 0.41 3.86 -0.80 0.26 115.15 119.02 3d0y h HIS 15 Ca 0.05 -0.09 0.13 0.00 -1.16 0.00 0.00 60.37 59.31 3d0y h HIS 15 Cb 0.39 -0.36 -0.05 0.00 1.06 0.00 0.00 27.41 28.45 3d0y h HIS 15 CO -0.24 0.91 0.49 1.96 0.86 0.00 0.00 177.93 181.92 3d0y h GLN 16 N 1.15 0.46 0.02 2.45 4.20 -0.96 -2.37 115.11 120.06 3d0y h GLN 16 Ca 0.26 -0.03 -0.37 0.00 0.06 0.00 0.00 58.65 58.58 3d0y h GLN 16 Cb 0.22 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.83 3d0y h GLN 16 CO -0.02 0.30 -2.28 0.66 -0.67 0.00 0.00 178.83 176.83 3d0y n TYR 17 N -4.49 0.34 0.17 2.96 4.02 -1.02 -4.48 117.16 114.66 3d0y n TYR 17 Ca 0.14 0.09 0.02 0.00 -0.01 0.00 0.00 57.90 58.13 3d0y n TYR 17 Cb 0.47 -1.05 0.32 0.00 -0.02 0.00 0.00 39.34 39.07 3d0y n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3d0y h SER 18 N 0.01 0.04 0.00 7.72 4.64 -0.40 -3.12 113.55 122.46 3d0y h SER 18 Ca -0.51 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3d0y h SER 18 Cb 2.04 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 3d0y h SER 18 CO -0.00 0.43 -0.00 0.61 -0.87 0.00 0.00 176.83 176.99 3d0y n GLY 19 N -0.39 -0.64 0.09 -0.77 0.00 -0.90 -3.97 105.19 98.62 3d0y n GLY 19 Ca -0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3d0y n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d0y h ARG 20 N 0.87 -0.10 -4.11 1.61 3.08 -1.77 -3.46 114.38 110.49 3d0y h ARG 20 Ca 0.00 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3d0y h ARG 20 Cb 0.19 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 30.12 3d0y h ARG 20 CO 0.00 0.22 -0.59 -1.21 -1.07 0.00 0.00 179.97 177.32 3d0y s GLU 21 N -4.85 0.68 5.29 0.04 2.02 -1.26 -5.10 118.70 115.52 3d0y s GLU 21 Ca -0.15 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 53.70 3d0y s GLU 21 Cb 0.03 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.51 3d0y s GLU 21 CO 0.64 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.17 3d0y n GLY 22 N 0.06 3.10 3.67 -1.39 0.00 -1.26 -4.38 105.19 104.99 3d0y n GLY 22 Ca -0.14 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 3d0y n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d0y n ASP 23 N 2.88 4.00 0.08 1.61 -0.08 -1.26 -4.86 116.55 118.92 3d0y n ASP 23 Ca 0.00 0.93 0.12 0.00 -1.51 0.00 0.00 54.79 54.33 3d0y n ASP 23 Cb 0.00 -1.50 0.45 0.00 2.34 0.00 0.00 41.12 42.41 3d0y n ASP 23 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3d0y n LYS 24 N 7.03 0.15 -0.10 -0.67 -0.00 -1.25 -2.99 118.16 120.34 3d0y n LYS 24 Ca 0.20 0.28 0.04 0.00 -0.00 0.00 0.00 58.31 58.83 3d0y n LYS 24 Cb 0.38 -1.74 0.09 0.00 -0.00 0.00 0.00 35.03 33.76 3d0y n LYS 24 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3d0y n HIS 25 N -2.01 0.25 -4.22 5.58 -0.00 -1.26 -2.99 115.22 110.57 3d0y n HIS 25 Ca 0.04 -0.41 -0.17 0.00 -0.00 0.00 0.00 57.72 57.18 3d0y n HIS 25 Cb 0.29 -0.03 -0.13 0.00 -0.00 0.00 0.00 29.99 30.12 3d0y n HIS 25 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3d0y s LYS 26 N -0.93 0.73 -0.23 1.57 1.02 -1.16 -4.12 119.74 116.63 3d0y s LYS 26 Ca 0.14 -0.69 -0.24 0.00 0.02 0.00 0.00 55.97 55.20 3d0y s LYS 26 Cb 0.08 -0.67 -0.01 0.00 -0.52 0.00 0.00 37.83 36.71 3d0y s LYS 26 CO 0.10 0.16 0.80 -0.51 -0.92 0.00 0.00 175.35 174.98 3d0y s LEU 27 N -1.17 4.10 0.67 3.17 1.43 0.58 -4.55 118.68 122.91 3d0y s LEU 27 Ca -0.02 1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 54.03 3d0y s LEU 27 Cb -0.08 -3.14 0.05 0.00 0.03 0.00 0.00 46.19 43.05 3d0y s LEU 27 CO 0.01 -0.46 0.98 -1.59 0.23 0.00 0.00 176.35 175.52 3d0y s LYS 28 N 2.62 2.40 0.26 1.70 0.00 -1.26 -0.34 119.74 125.11 3d0y s LYS 28 Ca 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 55.97 56.09 3d0y s LYS 28 Cb -0.16 -2.20 0.51 0.00 0.00 0.00 0.00 37.83 35.99 3d0y s LYS 28 CO 0.08 -1.09 1.74 0.87 0.00 0.00 0.00 175.35 176.96 3d0y h LYS 29 N -0.48 0.49 -0.37 1.78 1.57 -1.97 0.17 116.57 117.76 3d0y h LYS 29 Ca -0.45 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.18 3d0y h LYS 29 Cb 1.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3d0y h LYS 29 CO 0.60 0.32 -0.28 0.66 -0.57 0.00 0.00 179.45 180.19 3d0y h SER 30 N 0.50 0.81 -0.67 0.86 4.64 -1.99 -0.41 113.55 117.30 3d0y h SER 30 Ca 0.45 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 3d0y h SER 30 Cb 0.68 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 3d0y h SER 30 CO -0.40 1.04 0.36 -0.33 -0.87 0.00 0.00 176.83 176.63 3d0y h GLU 31 N 0.67 0.94 -0.46 4.77 5.08 -1.65 -2.26 114.58 121.68 3d0y h GLU 31 Ca 0.08 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 3d0y h GLU 31 Cb 0.81 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3d0y h GLU 31 CO 0.07 0.72 -0.17 1.25 -1.00 0.00 0.00 179.01 179.87 3d0y h LEU 32 N 0.92 0.95 -0.17 1.33 5.85 -0.81 -1.58 115.31 121.80 3d0y h LEU 32 Ca 0.23 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3d0y h LEU 32 Cb 0.06 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3d0y h LEU 32 CO -0.04 1.12 0.07 0.50 -0.34 0.00 0.00 178.44 179.75 3d0y h LYS 33 N 0.77 0.15 -0.70 1.25 3.64 -0.97 -1.10 116.57 119.62 3d0y h LYS 33 Ca 0.11 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3d0y h LYS 33 Cb 0.74 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 3d0y h LYS 33 CO 0.06 0.10 0.27 0.93 -2.27 0.00 0.00 179.45 178.53 3d0y h GLU 34 N 0.15 1.05 0.02 1.90 4.39 -1.38 -0.77 114.58 119.95 3d0y h GLU 34 Ca 0.07 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.58 3d0y h GLU 34 Cb 0.03 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3d0y h GLU 34 CO -0.07 0.88 -0.06 1.25 -1.16 0.00 0.00 179.01 179.85 3d0y h LEU 35 N 1.00 -0.16 -0.10 1.33 6.46 -0.88 0.10 115.31 123.06 3d0y h LEU 35 Ca 0.23 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 3d0y h LEU 35 Cb 0.23 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.22 3d0y h LEU 35 CO -0.02 -0.09 0.05 0.40 -0.62 0.00 0.00 178.44 178.16 3d0y h ILE 36 N -0.11 1.12 -0.90 4.05 2.04 -0.98 -0.22 117.51 122.50 3d0y h ILE 36 Ca 0.02 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3d0y h ILE 36 Cb 0.13 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3d0y h ILE 36 CO -0.05 0.10 0.51 0.78 0.00 0.00 0.00 178.15 179.49 3d0y h ASN 37 N 0.03 1.11 0.43 1.72 -0.26 -1.06 -0.58 115.58 116.98 3d0y h ASN 37 Ca 0.03 -0.09 -0.31 0.00 -0.56 0.00 0.00 56.30 55.38 3d0y h ASN 37 Cb 0.12 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.07 3d0y h ASN 37 CO -0.00 0.88 -1.68 0.78 -1.06 0.00 0.00 177.43 176.34 3d0y h ASN 38 N 1.25 0.20 0.00 5.81 -0.26 -0.98 -3.38 115.58 118.22 3d0y h ASN 38 Ca 0.32 -0.36 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 3d0y h ASN 38 Cb 0.00 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 3d0y h ASN 38 CO -0.05 1.31 -0.54 -0.62 -1.06 0.00 0.00 177.43 176.47 3d0y n GLU 39 N -3.27 3.76 -1.30 0.81 -0.58 -0.10 -4.57 120.64 115.39 3d0y n GLU 39 Ca -0.19 -0.01 -0.03 0.00 -0.42 0.00 0.00 57.16 56.51 3d0y n GLU 39 Cb 1.04 -0.88 0.12 0.00 -0.57 0.00 0.00 31.44 31.14 3d0y n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3d0y n LEU 40 N -1.29 2.98 0.20 -4.62 4.77 -0.23 -4.88 117.00 113.94 3d0y n LEU 40 Ca 0.01 -3.79 0.14 0.00 -0.03 0.00 0.00 56.01 52.34 3d0y n LEU 40 Cb 0.11 -0.32 0.68 0.00 -2.33 0.00 0.00 43.42 41.57 3d0y n LEU 40 CO 0.13 1.44 0.93 0.77 -1.33 0.00 0.00 177.39 179.33 3d0y h SER 41 N 1.45 0.00 0.00 -1.43 4.64 -1.73 0.26 113.55 116.74 3d0y h SER 41 Ca 0.06 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.15 3d0y h SER 41 Cb 1.30 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.35 3d0y h SER 41 CO 0.24 0.00 -2.20 1.41 -0.87 0.00 0.00 176.83 175.40 3d0y n HIS 42 N -2.54 0.00 -0.05 4.77 8.25 -1.26 -4.55 115.22 119.84 3d0y n HIS 42 Ca -0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 3d0y n HIS 42 Cb 0.15 -0.79 -0.14 0.00 1.12 0.00 0.00 29.99 30.33 3d0y n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3d0y n PHE 43 N -2.55 0.66 -4.99 4.41 3.72 -0.80 -4.91 117.46 113.00 3d0y n PHE 43 Ca -0.22 0.22 -0.28 0.00 -0.05 0.00 0.00 57.45 57.13 3d0y n PHE 43 Cb 0.92 -1.12 -0.16 0.00 -0.94 0.00 0.00 39.48 38.19 3d0y n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3d0y s LEU 44 N -6.04 2.00 0.27 4.37 1.43 0.02 -5.07 118.68 115.66 3d0y s LEU 44 Ca -0.10 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 3d0y s LEU 44 Cb 0.07 -1.09 -0.14 0.00 0.03 0.00 0.00 46.19 45.06 3d0y s LEU 44 CO 0.81 0.21 1.12 -1.84 0.23 0.00 0.00 176.35 176.88 3d0y n GLU 45 N 2.87 1.52 -1.75 1.70 -0.00 -1.26 -4.44 120.64 119.28 3d0y n GLU 45 Ca -0.17 0.54 -0.42 0.00 -0.00 0.00 0.00 57.16 57.11 3d0y n GLU 45 Cb 0.53 -1.99 -0.01 0.00 -0.00 0.00 0.00 31.44 29.97 3d0y n GLU 45 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3d0y n GLU 46 N 0.99 2.53 -3.13 3.44 2.13 -1.26 -4.93 120.64 120.41 3d0y n GLU 46 Ca 0.10 0.89 -0.41 0.00 0.66 0.00 0.00 57.16 58.40 3d0y n GLU 46 Cb 0.31 -2.60 -0.07 0.00 0.27 0.00 0.00 31.44 29.36 3d0y n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3d0y s ILE 47 N -0.79 4.96 0.00 6.31 1.01 -1.26 -4.87 121.20 126.56 3d0y s ILE 47 Ca 0.57 0.88 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3d0y s ILE 47 Cb -0.51 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 37.99 3d0y s ILE 47 CO 0.59 -0.10 0.60 0.29 0.00 0.00 0.00 174.94 176.33 3d0y n LYS 48 N 5.81 0.89 -4.52 2.79 5.02 -1.26 -4.98 118.16 121.91 3d0y n LYS 48 Ca -0.01 -0.78 -0.23 0.00 -2.02 0.00 0.00 58.31 55.26 3d0y n LYS 48 Cb 0.49 -0.77 -0.16 0.00 -0.02 0.00 0.00 35.03 34.56 3d0y n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3d0y s GLU 49 N -0.36 1.48 0.31 1.97 0.41 -1.26 -5.02 118.70 116.23 3d0y s GLU 49 Ca 0.00 -0.37 0.05 0.00 -0.41 0.00 0.00 54.97 54.24 3d0y s GLU 49 Cb 0.00 -1.27 0.69 0.00 -1.78 0.00 0.00 34.13 31.78 3d0y s GLU 49 CO 0.00 0.04 1.83 0.37 -0.49 0.00 0.00 175.26 177.02 3d0y h GLN 50 N 6.85 0.81 -0.21 1.61 5.75 -2.00 -1.05 115.11 126.86 3d0y h GLN 50 Ca -0.32 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.10 3d0y h GLN 50 Cb 1.18 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 3d0y h GLN 50 CO 0.48 0.54 -0.01 1.05 -2.65 0.00 0.00 178.83 178.23 3d0y h GLU 51 N 0.83 0.31 -0.17 1.69 4.11 -1.99 -0.18 114.58 119.19 3d0y h GLU 51 Ca 0.50 -0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.77 3d0y h GLU 51 Cb 0.68 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3d0y h GLU 51 CO -0.27 0.35 -0.33 0.28 0.07 0.00 0.00 179.01 179.11 3d0y h VAL 52 N 0.31 1.35 -0.55 -1.06 2.07 -1.62 -1.82 116.25 114.93 3d0y h VAL 52 Ca 0.07 -1.58 0.08 0.00 0.82 0.00 0.00 66.70 66.09 3d0y h VAL 52 Cb 0.23 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 3d0y h VAL 52 CO 0.01 0.48 0.20 0.58 0.02 0.00 0.00 177.57 178.85 3d0y h VAL 53 N 0.16 0.80 -0.57 2.57 2.07 -1.20 -1.15 116.25 118.93 3d0y h VAL 53 Ca 0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3d0y h VAL 53 Cb 0.93 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3d0y h VAL 53 CO 0.07 0.07 0.37 0.44 0.02 0.00 0.00 177.57 178.54 3d0y h ASP 54 N 0.38 0.66 -0.21 0.57 3.32 -1.00 -1.79 116.42 118.35 3d0y h ASP 54 Ca 0.27 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 3d0y h ASP 54 Cb 0.31 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3d0y h ASP 54 CO -0.27 0.49 -0.46 0.11 -1.72 0.00 0.00 179.24 177.39 3d0y h LYS 55 N 0.77 0.77 -0.28 3.56 6.56 -0.82 -1.34 116.57 125.79 3d0y h LYS 55 Ca 0.21 -0.44 -0.04 0.00 -1.06 0.00 0.00 60.65 59.33 3d0y h LYS 55 Cb -0.07 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.61 3d0y h LYS 55 CO -0.04 1.06 0.03 0.28 -2.06 0.00 0.00 179.45 178.72 3d0y h VAL 56 N 0.62 1.24 -0.91 0.50 2.07 -0.95 -0.99 116.25 117.83 3d0y h VAL 56 Ca 0.04 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.73 3d0y h VAL 56 Cb 1.02 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 3d0y h VAL 56 CO 0.10 0.27 0.59 -0.03 0.02 0.00 0.00 177.57 178.51 3d0y h MET 57 N 0.28 1.21 -0.67 1.57 -1.53 -1.30 -1.43 114.93 113.06 3d0y h MET 57 Ca 0.08 -0.08 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3d0y h MET 57 Cb 0.36 -0.27 -0.03 0.00 -0.55 0.00 0.00 31.60 31.11 3d0y h MET 57 CO 0.01 0.81 0.41 1.49 0.14 0.00 0.00 176.91 179.77 3d0y h GLU 58 N 1.24 0.91 -0.57 0.39 4.81 -0.94 0.84 114.58 121.25 3d0y h GLU 58 Ca 0.33 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3d0y h GLU 58 Cb -0.12 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.05 3d0y h GLU 58 CO -0.07 0.64 -0.03 1.15 -0.73 0.00 0.00 179.01 179.97 3d0y h THR 59 N 0.91 1.27 0.00 0.32 2.02 -0.86 -3.25 112.91 113.32 3d0y h THR 59 Ca 0.24 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.25 3d0y h THR 59 Cb -0.04 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3d0y h THR 59 CO -0.05 0.42 -0.87 0.00 0.37 0.00 0.00 175.52 175.39 3d0y n LEU 60 N -4.21 0.65 -4.50 2.58 -0.00 -0.57 -4.75 117.00 106.20 3d0y n LEU 60 Ca 0.02 -0.08 -0.43 0.00 -0.00 0.00 0.00 56.01 55.52 3d0y n LEU 60 Cb 0.36 -0.13 -0.01 0.00 -0.00 0.00 0.00 43.42 43.64 3d0y n LEU 60 CO 0.44 0.09 1.40 -0.62 -0.00 0.00 0.00 177.39 178.71 3d0y s ASP 61 N -3.56 6.80 0.33 1.45 2.15 0.26 -4.82 116.67 119.28 3d0y s ASP 61 Ca 0.06 -2.36 0.17 0.00 0.43 0.00 0.00 52.55 50.86 3d0y s ASP 61 Cb 0.15 -2.46 0.40 0.00 -0.30 0.00 0.00 42.92 40.71 3d0y s ASP 61 CO 0.78 -1.05 1.60 0.78 -0.17 0.00 0.00 175.17 177.11 3d0y h ASN 62 N 8.16 0.00 -0.31 -0.34 2.35 -1.86 -2.99 115.58 120.59 3d0y h ASN 62 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3d0y h ASN 62 Cb 0.94 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.31 3d0y h ASN 62 CO 1.28 0.44 0.00 -0.90 -1.65 0.00 0.00 177.43 176.60 3d0y n ASP 63 N -3.38 2.97 -1.00 5.81 3.85 -1.26 -4.99 116.55 118.54 3d0y n ASP 63 Ca 0.01 -1.92 -0.13 0.00 -0.71 0.00 0.00 54.79 52.03 3d0y n ASP 63 Cb 0.62 -0.20 -0.06 0.00 -1.35 0.00 0.00 41.12 40.13 3d0y n ASP 63 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d0y n GLY 64 N 1.40 1.38 0.90 6.12 0.00 -1.13 -4.89 105.19 108.96 3d0y n GLY 64 Ca 0.18 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3d0y n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d0y n ASP 65 N -0.27 2.59 -0.20 1.61 5.75 -1.26 -4.92 116.55 119.85 3d0y n ASP 65 Ca -0.13 -2.08 -0.03 0.00 -0.01 0.00 0.00 54.79 52.54 3d0y n ASP 65 Cb 0.45 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 40.18 3d0y n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d0y n GLY 66 N 1.08 0.36 3.30 6.12 0.00 -1.26 -4.98 105.19 109.81 3d0y n GLY 66 Ca 0.15 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 3d0y n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d0y s GLU 67 N -1.83 1.22 -0.37 1.61 2.02 -1.26 -4.52 118.70 115.58 3d0y s GLU 67 Ca 0.00 -1.56 -0.11 0.00 0.02 0.00 0.00 54.97 53.32 3d0y s GLU 67 Cb 0.00 -0.78 0.02 0.00 0.10 0.00 0.00 34.13 33.47 3d0y s GLU 67 CO 0.00 0.06 0.21 0.00 0.02 0.00 0.00 175.26 175.55 3d0y n ASP 69 N 5.01 0.67 -0.24 0.00 5.68 -1.26 -0.30 116.55 126.11 3d0y n ASP 69 Ca -0.12 -1.69 -0.07 0.00 -0.50 0.00 0.00 54.79 52.41 3d0y n ASP 69 Cb 0.47 -0.61 0.04 0.00 -1.14 0.00 0.00 41.12 39.87 3d0y n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3d0y h PHE 70 N -0.96 1.02 -0.45 2.11 3.57 -1.99 0.64 116.94 120.88 3d0y h PHE 70 Ca -0.29 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.10 3d0y h PHE 70 Cb 0.94 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3d0y h PHE 70 CO 0.00 0.80 0.16 0.37 -2.23 0.00 0.00 178.31 177.41 3d0y h GLN 71 N 0.94 0.68 -0.48 1.11 4.15 -1.96 0.91 115.11 120.46 3d0y h GLN 71 Ca 0.22 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 3d0y h GLN 71 Cb 0.22 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3d0y h GLN 71 CO -0.02 0.65 0.12 0.93 -1.93 0.00 0.00 178.83 178.58 3d0y h GLU 72 N 0.58 0.72 -0.31 1.69 5.08 -1.82 -1.96 114.58 118.56 3d0y h GLU 72 Ca 0.15 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3d0y h GLU 72 Cb 0.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3d0y h GLU 72 CO -0.01 0.65 -0.09 0.35 -1.00 0.00 0.00 179.01 178.91 3d0y h PHE 73 N 0.70 0.68 -0.75 4.33 3.57 -0.16 -1.30 116.94 124.02 3d0y h PHE 73 Ca 0.16 -0.15 0.15 0.00 3.53 0.00 0.00 57.97 61.65 3d0y h PHE 73 Cb 0.25 -0.16 -0.10 0.00 2.79 0.00 0.00 35.95 38.73 3d0y h PHE 73 CO 0.01 0.80 0.27 0.52 -2.23 0.00 0.00 178.31 177.68 3d0y h MET 74 N 0.37 0.39 -0.90 1.11 2.86 -0.49 0.12 114.93 118.38 3d0y h MET 74 Ca 0.08 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3d0y h MET 74 Cb 0.58 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 3d0y h MET 74 CO 0.03 0.26 0.50 0.00 1.06 0.00 0.00 176.91 178.77 3d0y h ALA 75 N 1.56 1.16 -0.02 6.32 0.00 -1.14 -0.33 119.26 126.81 3d0y h ALA 75 Ca 0.41 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3d0y h ALA 75 Cb 0.65 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3d0y h ALA 75 CO -0.42 0.66 0.01 0.35 0.00 0.00 0.00 179.25 179.84 3d0y h PHE 76 N 1.26 0.04 -0.73 0.00 3.57 -0.20 -0.85 116.94 120.03 3d0y h PHE 76 Ca 0.32 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.96 3d0y h PHE 76 Cb 0.01 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.65 3d0y h PHE 76 CO 0.01 0.22 0.26 0.28 -2.23 0.00 0.00 178.31 176.85 3d0y h VAL 77 N -0.16 0.63 -0.63 1.41 2.07 -0.52 -1.44 116.25 117.62 3d0y h VAL 77 Ca 0.01 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3d0y h VAL 77 Cb 0.20 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3d0y h VAL 77 CO -0.00 0.07 0.19 0.00 0.02 0.00 0.00 177.57 177.85 3d0y h ALA 78 N 1.55 0.82 0.23 1.67 0.00 -0.77 -0.91 119.26 121.85 3d0y h ALA 78 Ca 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3d0y h ALA 78 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3d0y h ALA 78 CO -0.42 0.50 -0.23 1.98 0.00 0.00 0.00 179.25 181.08 3d0y h MET 79 N 0.91 -0.48 -0.45 0.00 -1.53 -0.66 -0.38 114.93 112.34 3d0y h MET 79 Ca 0.20 0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.50 3d0y h MET 79 Cb 0.30 0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.44 3d0y h MET 79 CO -0.00 -0.32 0.29 0.28 0.14 0.00 0.00 176.91 177.30 3d0y h VAL 80 N -0.49 1.12 -0.36 -5.77 2.07 -1.13 -1.32 116.25 110.37 3d0y h VAL 80 Ca -0.00 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3d0y h VAL 80 Cb 0.46 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3d0y h VAL 80 CO -0.05 0.11 0.06 0.74 0.02 0.00 0.00 177.57 178.45 3d0y h THR 81 N 0.60 1.24 -0.46 2.57 2.02 -1.03 -0.75 112.91 117.10 3d0y h THR 81 Ca 0.16 -0.83 0.04 0.00 0.77 0.00 0.00 66.41 66.56 3d0y h THR 81 Cb -0.06 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 3d0y h THR 81 CO -0.03 0.28 0.22 0.74 0.37 0.00 0.00 175.52 177.09 3d0y h THR 82 N 0.43 0.95 -0.34 3.16 2.02 -0.94 0.65 112.91 118.83 3d0y h THR 82 Ca 0.11 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.17 3d0y h THR 82 Cb 0.35 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3d0y h THR 82 CO 0.01 0.08 0.14 0.00 0.37 0.00 0.00 175.52 176.12 3d0y h ALA 83 N 1.25 0.41 0.09 6.16 0.00 -0.79 0.22 119.26 126.60 3d0y h ALA 83 Ca 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3d0y h ALA 83 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3d0y h ALA 83 CO -0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 179.25 178.81 3d0y h HIS 85 N -0.21 -1.42 -0.49 0.00 6.17 -0.48 -1.91 115.15 116.82 3d0y h HIS 85 Ca -0.01 0.09 -0.08 0.00 0.71 0.00 0.00 60.37 61.08 3d0y h HIS 85 Cb 0.17 0.71 -0.02 0.00 2.52 0.00 0.00 27.41 30.80 3d0y h HIS 85 CO -0.04 -0.42 0.00 0.93 0.71 0.00 0.00 177.93 179.11 3d0y h GLU 86 N -0.18 0.86 -0.65 5.26 4.39 -0.70 -3.23 114.58 120.33 3d0y h GLU 86 Ca 0.18 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 3d0y h GLU 86 Cb 0.55 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 3d0y h GLU 86 CO -0.76 0.90 0.20 0.35 -1.16 0.00 0.00 179.01 178.54 3d0y h PHE 87 N 0.72 1.04 -0.19 4.33 3.04 -0.14 -2.99 116.94 122.75 3d0y h PHE 87 Ca 0.14 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3d0y h PHE 87 Cb 0.51 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.72 3d0y h PHE 87 CO 0.04 0.85 0.00 1.19 -2.02 0.00 0.00 178.31 178.37 3d0y n PHE 88 N -4.35 0.24 0.70 0.41 3.01 -0.76 -5.09 117.46 111.61 3d0y n PHE 88 Ca 0.04 -0.12 0.08 0.00 1.01 0.00 0.00 57.45 58.47 3d0y n PHE 88 Cb 0.22 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.75 3d0y n PHE 88 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16