#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4c s SER 1 N 0.00 0.45 0.33 7.83 1.04 -1.26 -4.73 113.70 117.36 1b4c s SER 1 Ca 0.00 1.25 0.02 0.00 0.48 0.00 0.00 55.95 57.70 1b4c s SER 1 Cb 0.00 -1.90 0.56 0.00 0.10 0.00 0.00 66.02 64.78 1b4c s SER 1 CO 0.00 -4.49 1.91 -0.33 0.98 0.00 0.00 173.24 171.31 1b4c h GLU 2 N -2.82 0.70 -0.23 4.02 4.39 -2.06 -2.65 114.58 115.93 1b4c h GLU 2 Ca -0.56 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 58.99 1b4c h GLU 2 Cb 1.34 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1b4c h GLU 2 CO 0.45 0.60 0.02 1.25 -1.16 0.00 0.00 179.01 180.18 1b4c h LEU 3 N 0.69 0.38 -0.51 1.33 6.46 -2.00 -2.83 115.31 118.84 1b4c h LEU 3 Ca 0.16 -0.28 0.09 0.00 -0.12 0.00 0.00 57.88 57.73 1b4c h LEU 3 Cb 0.18 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 39.94 1b4c h LEU 3 CO -0.01 0.56 0.12 -0.33 -0.62 0.00 0.00 178.44 178.16 1b4c h GLU 4 N 0.18 0.25 -0.99 1.25 5.08 -1.81 0.17 114.58 118.71 1b4c h GLU 4 Ca 0.07 -0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.64 1b4c h GLU 4 Cb 0.36 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.43 1b4c h GLU 4 CO 0.01 0.16 0.58 -0.22 -1.00 0.00 0.00 179.01 178.54 1b4c h LYS 5 N 0.26 0.61 0.00 2.33 3.64 -1.27 0.34 116.57 122.47 1b4c h LYS 5 Ca 0.26 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1b4c h LYS 5 Cb 0.34 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1b4c h LYS 5 CO -0.32 0.40 -0.52 0.00 -2.27 0.00 0.00 179.45 176.74 1b4c h ALA 6 N 1.70 0.81 0.07 5.00 0.00 -0.50 -1.27 119.26 125.07 1b4c h ALA 6 Ca 0.61 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1b4c h ALA 6 Cb 1.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1b4c h ALA 6 CO -0.45 0.66 -0.03 0.52 0.00 0.00 0.00 179.25 179.95 1b4c h MET 7 N 0.00 -0.08 -0.51 0.00 2.86 0.12 -0.68 114.93 116.64 1b4c h MET 7 Ca -0.01 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1b4c h MET 7 Cb 1.18 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 1b4c h MET 7 CO 0.07 0.29 -0.03 0.28 1.06 0.00 0.00 176.91 178.58 1b4c h VAL 8 N -0.48 1.26 -0.24 -2.22 2.07 -1.40 -2.83 116.25 112.41 1b4c h VAL 8 Ca -0.01 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.42 1b4c h VAL 8 Cb 0.42 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1b4c h VAL 8 CO 0.01 0.39 0.11 0.00 0.02 0.00 0.00 177.57 178.11 1b4c h ALA 9 N 1.14 0.29 -0.98 1.67 0.00 -1.13 -1.74 119.26 118.51 1b4c h ALA 9 Ca 0.15 0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.37 1b4c h ALA 9 Cb 0.53 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.15 1b4c h ALA 9 CO 0.03 -0.30 0.51 -0.07 0.00 0.00 0.00 179.25 179.43 1b4c h LEU 10 N 0.24 0.44 -0.81 0.00 3.38 -0.85 1.90 115.31 119.60 1b4c h LEU 10 Ca 0.10 0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 1b4c h LEU 10 Cb 0.04 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1b4c h LEU 10 CO -0.08 -0.12 0.10 0.40 0.09 0.00 0.00 178.44 178.83 1b4c h ILE 11 N 0.33 1.25 -0.17 1.22 5.03 -1.33 0.05 117.51 123.89 1b4c h ILE 11 Ca 0.70 -0.98 0.05 0.00 -0.12 0.00 0.00 64.86 64.51 1b4c h ILE 11 Cb 1.54 0.67 -0.07 0.00 -3.03 0.00 0.00 36.82 35.94 1b4c h ILE 11 CO -0.61 0.36 -0.29 -0.78 -0.68 0.00 0.00 178.15 176.16 1b4c h ASP 12 N 0.94 -0.92 -0.01 1.72 3.58 0.33 0.58 116.42 122.64 1b4c h ASP 12 Ca 0.19 0.14 -0.23 0.00 0.42 0.00 0.00 57.03 57.55 1b4c h ASP 12 Cb 0.40 0.40 0.01 0.00 1.72 0.00 0.00 39.33 41.86 1b4c h ASP 12 CO 0.01 -0.33 -0.86 0.58 -2.88 0.00 0.00 179.24 175.76 1b4c h VAL 13 N -0.34 1.30 -0.32 2.25 2.07 -1.20 -0.69 116.25 119.32 1b4c h VAL 13 Ca 0.11 -2.11 -0.02 0.00 0.82 0.00 0.00 66.70 65.50 1b4c h VAL 13 Cb 0.51 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1b4c h VAL 13 CO -0.36 0.66 0.10 0.15 0.02 0.00 0.00 177.57 178.13 1b4c h PHE 14 N 0.44 0.44 0.06 1.57 3.57 -0.69 -2.20 116.94 120.13 1b4c h PHE 14 Ca -0.07 -0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.16 1b4c h PHE 14 Cb 1.49 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 1b4c h PHE 14 CO 0.08 0.38 -1.16 1.25 -2.23 0.00 0.00 178.31 176.64 1b4c h HIS 15 N 0.45 0.24 -0.52 0.41 2.76 -0.83 -3.15 115.15 114.51 1b4c h HIS 15 Ca 0.11 -0.17 0.08 0.00 -2.20 0.00 0.00 60.37 58.18 1b4c h HIS 15 Cb 0.14 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.03 1b4c h HIS 15 CO 0.00 1.14 0.17 0.37 -1.30 0.00 0.00 177.93 178.32 1b4c h GLN 16 N 0.04 0.33 -0.03 5.26 4.15 -0.47 0.28 115.11 124.67 1b4c h GLN 16 Ca -0.08 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 1b4c h GLN 16 Cb 1.88 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 29.49 1b4c h GLN 16 CO 0.16 0.22 -0.03 1.88 -1.93 0.00 0.00 178.83 179.13 1b4c h TYR 17 N 0.34 0.08 -2.23 3.99 -1.99 -1.64 -3.29 116.97 112.24 1b4c h TYR 17 Ca 0.25 -0.03 -0.81 0.00 2.00 0.00 0.00 58.73 60.15 1b4c h TYR 17 Cb 0.29 -0.02 -0.27 0.00 2.00 0.00 0.00 36.73 38.74 1b4c h TYR 17 CO -0.18 0.56 1.04 -1.13 -0.00 0.00 0.00 178.16 178.45 1b4c n SER 18 N -4.79 7.38 0.00 3.88 3.41 -0.94 -4.37 113.62 118.19 1b4c n SER 18 Ca -0.08 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.82 1b4c n SER 18 Cb 0.28 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1b4c n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b4c n GLY 19 N -0.11 0.08 0.23 5.00 0.00 0.94 -3.81 105.19 107.52 1b4c n GLY 19 Ca 0.48 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.56 1b4c n GLY 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1b4c h ARG 20 N 0.00 0.00 0.00 1.61 0.11 -1.82 -3.40 114.38 110.88 1b4c h ARG 20 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1b4c h ARG 20 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1b4c h ARG 20 CO 0.00 0.16 0.00 0.39 0.10 0.00 0.00 179.97 180.62 1b4c n GLU 21 N -4.22 0.00 -0.90 0.08 4.71 -1.26 -4.98 120.64 114.07 1b4c n GLU 21 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.10 1b4c n GLU 21 Cb 0.23 -0.08 -0.01 0.00 -1.01 0.00 0.00 31.44 30.57 1b4c n GLU 21 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b4c n GLY 22 N 0.76 0.24 0.21 0.62 0.00 -1.25 -4.71 105.19 101.08 1b4c n GLY 22 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1b4c n GLY 22 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b4c h ASP 23 N 0.00 -0.39 -3.30 1.61 3.32 -1.94 -3.39 116.42 112.33 1b4c h ASP 23 Ca -0.05 0.15 -0.56 0.00 0.02 0.00 0.00 57.03 56.59 1b4c h ASP 23 Cb 0.20 0.30 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 1b4c h ASP 23 CO 0.08 -0.15 -0.10 -0.54 -1.72 0.00 0.00 179.24 176.81 1b4c s LYS 24 N -6.20 3.96 -0.63 3.56 1.02 -1.26 -4.97 119.74 115.22 1b4c s LYS 24 Ca -0.14 0.46 -0.02 0.00 0.02 0.00 0.00 55.97 56.30 1b4c s LYS 24 Cb 0.17 -2.94 0.44 0.00 -0.52 0.00 0.00 37.83 34.99 1b4c s LYS 24 CO 0.73 0.48 2.03 0.72 -0.92 0.00 0.00 175.35 178.39 1b4c n HIS 25 N 0.80 3.08 -4.14 3.18 8.25 -1.26 -4.91 115.22 120.23 1b4c n HIS 25 Ca -0.05 -2.87 -0.14 0.00 -0.26 0.00 0.00 57.72 54.39 1b4c n HIS 25 Cb 0.52 -1.38 -0.11 0.00 1.12 0.00 0.00 29.99 30.13 1b4c n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1b4c s LYS 26 N -3.62 0.74 -0.00 -0.41 1.02 -1.26 -4.70 119.74 111.50 1b4c s LYS 26 Ca 0.62 -1.04 0.07 0.00 0.02 0.00 0.00 55.97 55.63 1b4c s LYS 26 Cb 0.49 -0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 37.34 1b4c s LYS 26 CO -0.00 0.07 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.11 1b4c s LEU 27 N -2.21 2.07 0.23 3.17 2.96 0.18 -4.95 118.68 120.14 1b4c s LEU 27 Ca 0.01 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 1b4c s LEU 27 Cb -0.04 -1.09 -0.07 0.00 0.50 0.00 0.00 46.19 45.48 1b4c s LEU 27 CO -0.00 0.25 0.59 -0.54 -1.32 0.00 0.00 176.35 175.32 1b4c s LYS 28 N -0.65 3.89 0.24 1.98 1.02 -1.26 0.47 119.74 125.43 1b4c s LYS 28 Ca 0.08 0.41 -0.05 0.00 0.02 0.00 0.00 55.97 56.43 1b4c s LYS 28 Cb -0.08 -2.68 0.36 0.00 -0.52 0.00 0.00 37.83 34.91 1b4c s LYS 28 CO -0.00 0.33 1.82 1.57 -0.92 0.00 0.00 175.35 178.14 1b4c h LYS 29 N 2.74 0.77 -0.90 1.68 2.10 -1.90 -0.56 116.57 120.51 1b4c h LYS 29 Ca -0.47 -0.05 0.10 0.00 -2.00 0.00 0.00 60.65 58.23 1b4c h LYS 29 Cb 1.18 -0.17 -0.07 0.00 -0.90 0.00 0.00 32.23 32.26 1b4c h LYS 29 CO 0.68 0.51 0.58 0.66 -2.00 0.00 0.00 179.45 179.88 1b4c h SER 30 N 0.80 0.80 0.78 7.07 4.64 -1.93 0.13 113.55 125.83 1b4c h SER 30 Ca 0.38 0.03 -0.25 0.00 -0.47 0.00 0.00 61.79 61.48 1b4c h SER 30 Cb 0.30 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1b4c h SER 30 CO -0.23 0.46 -1.21 -0.33 -0.87 0.00 0.00 176.83 174.65 1b4c h GLU 31 N 0.88 0.10 -0.26 4.77 5.08 -1.73 -3.22 114.58 120.20 1b4c h GLU 31 Ca 0.43 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1b4c h GLU 31 Cb 0.45 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1b4c h GLU 31 CO -0.19 1.02 0.13 1.25 -1.00 0.00 0.00 179.01 180.22 1b4c h LEU 32 N 0.03 0.34 0.13 1.33 6.46 0.15 -1.83 115.31 121.91 1b4c h LEU 32 Ca -0.10 -0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1b4c h LEU 32 Cb 1.88 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 41.68 1b4c h LEU 32 CO 0.15 0.36 -0.43 0.50 -0.62 0.00 0.00 178.44 178.40 1b4c h LYS 33 N 0.29 -0.64 -1.03 1.25 3.64 -0.87 0.17 116.57 119.38 1b4c h LYS 33 Ca 0.09 0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.78 1b4c h LYS 33 Cb 0.11 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 31.98 1b4c h LYS 33 CO -0.01 -0.43 0.67 0.93 -2.27 0.00 0.00 179.45 178.34 1b4c h GLU 34 N -0.66 0.39 -0.46 1.90 5.08 -1.53 0.42 114.58 119.72 1b4c h GLU 34 Ca 0.02 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1b4c h GLU 34 Cb 0.69 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1b4c h GLU 34 CO -0.24 0.26 -0.19 1.25 -1.00 0.00 0.00 179.01 179.08 1b4c h LEU 35 N 0.40 0.92 -0.76 1.33 5.85 0.11 -2.81 115.31 120.35 1b4c h LEU 35 Ca 0.59 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1b4c h LEU 35 Cb 1.49 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 1b4c h LEU 35 CO -0.29 1.09 0.49 0.40 -0.34 0.00 0.00 178.44 179.79 1b4c h ILE 36 N 0.79 1.16 -0.82 4.05 2.04 0.17 0.42 117.51 125.34 1b4c h ILE 36 Ca 0.11 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1b4c h ILE 36 Cb 0.74 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1b4c h ILE 36 CO 0.06 0.18 0.53 0.78 0.00 0.00 0.00 178.15 179.70 1b4c h ASN 37 N 0.99 0.90 -0.27 1.72 -0.26 -1.14 0.17 115.58 117.69 1b4c h ASN 37 Ca 0.29 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 1b4c h ASN 37 Cb -0.07 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 36.98 1b4c h ASN 37 CO -0.08 0.63 0.00 0.59 -1.06 0.00 0.00 177.43 177.51 1b4c n ASN 38 N -4.55 3.29 -0.02 5.81 4.13 -0.99 -4.06 115.26 118.87 1b4c n ASN 38 Ca 0.09 -1.98 -0.02 0.00 1.68 0.00 0.00 54.58 54.35 1b4c n ASN 38 Cb 0.06 -0.17 -0.04 0.00 -1.54 0.00 0.00 39.78 38.10 1b4c n ASN 38 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1b4c n GLU 39 N 1.42 3.14 -2.15 3.52 4.07 0.15 -4.72 120.64 126.07 1b4c n GLU 39 Ca 0.17 -0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 57.03 1b4c n GLU 39 Cb 0.60 -1.12 0.02 0.00 -0.06 0.00 0.00 31.44 30.87 1b4c n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1b4c n LEU 40 N -2.16 4.73 0.09 4.31 4.77 0.02 -4.77 117.00 123.98 1b4c n LEU 40 Ca -0.08 -4.77 -0.06 0.00 -0.03 0.00 0.00 56.01 51.08 1b4c n LEU 40 Cb 0.64 -0.33 0.09 0.00 -2.33 0.00 0.00 43.42 41.49 1b4c n LEU 40 CO 0.10 2.09 0.42 0.77 -1.33 0.00 0.00 177.39 179.44 1b4c h SER 41 N 2.28 0.25 0.04 -1.43 4.64 -1.71 -2.44 113.55 115.19 1b4c h SER 41 Ca 0.33 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1b4c h SER 41 Cb 1.41 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1b4c h SER 41 CO 0.75 0.85 -0.02 -0.74 -0.87 0.00 0.00 176.83 176.81 1b4c h HIS 42 N 0.15 -0.05 0.00 4.77 -0.00 -1.93 -2.95 115.15 115.14 1b4c h HIS 42 Ca -0.02 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.30 1b4c h HIS 42 Cb 1.21 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.63 1b4c h HIS 42 CO 0.02 0.30 -0.26 0.74 -0.00 0.00 0.00 177.93 178.74 1b4c h PHE 43 N -0.40 0.00 -0.68 5.26 -1.00 -1.93 -2.40 116.94 115.78 1b4c h PHE 43 Ca -0.01 0.00 0.20 0.00 2.81 0.00 0.00 57.97 60.97 1b4c h PHE 43 Cb 0.37 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 1b4c h PHE 43 CO 0.04 0.26 0.67 1.25 -1.61 0.00 0.00 178.31 178.92 1b4c h LEU 44 N 0.00 0.00 0.17 1.54 7.12 -1.25 0.31 115.31 123.20 1b4c h LEU 44 Ca -0.00 0.00 -0.32 0.00 0.13 0.00 0.00 57.88 57.69 1b4c h LEU 44 Cb 0.46 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.60 1b4c h LEU 44 CO 0.03 0.00 -1.54 -0.08 -0.13 0.00 0.00 178.44 176.73 1b4c h GLU 45 N 0.00 0.36 -2.51 1.25 4.81 -1.52 -3.35 114.58 113.62 1b4c h GLU 45 Ca 0.32 -0.61 -0.67 0.00 -0.13 0.00 0.00 59.36 58.27 1b4c h GLU 45 Cb 1.65 0.23 -0.12 0.00 0.63 0.00 0.00 28.75 31.14 1b4c h GLU 45 CO -0.00 1.26 2.05 0.39 -0.73 0.00 0.00 179.01 181.98 1b4c n GLU 46 N -3.56 3.99 -3.96 1.92 1.02 0.11 -4.86 120.64 115.30 1b4c n GLU 46 Ca -0.18 -3.04 -0.34 0.00 -0.02 0.00 0.00 57.16 53.59 1b4c n GLU 46 Cb 1.06 -2.53 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 1b4c n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b4c s ILE 47 N -0.99 2.70 -0.14 -3.67 -1.09 -1.23 -4.53 121.20 112.27 1b4c s ILE 47 Ca 0.57 -1.61 -0.08 0.00 -2.23 0.00 0.00 60.65 57.30 1b4c s ILE 47 Cb 0.23 -2.63 -0.25 0.00 -1.58 0.00 0.00 42.46 38.23 1b4c s ILE 47 CO -0.11 -0.18 0.32 0.29 -1.23 0.00 0.00 174.94 174.02 1b4c n LYS 48 N 4.53 0.73 -2.22 2.79 4.76 -1.26 -4.42 118.16 123.06 1b4c n LYS 48 Ca -0.11 0.29 -0.42 0.00 -2.87 0.00 0.00 58.31 55.20 1b4c n LYS 48 Cb 0.43 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 1b4c n LYS 48 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1b4c n GLU 49 N -3.58 4.04 0.15 1.97 -0.58 -1.26 -4.77 120.64 116.62 1b4c n GLU 49 Ca -0.33 -3.54 0.15 0.00 -0.42 0.00 0.00 57.16 53.02 1b4c n GLU 49 Cb 1.01 -2.79 0.48 0.00 -0.57 0.00 0.00 31.44 29.56 1b4c n GLU 49 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1b4c h GLN 50 N 5.28 0.00 0.00 3.49 5.75 -1.92 0.97 115.11 128.67 1b4c h GLN 50 Ca 0.51 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.95 1b4c h GLN 50 Cb 0.50 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 1b4c h GLN 50 CO 1.56 0.00 -0.27 0.93 -2.65 0.00 0.00 178.83 178.40 1b4c h GLU 51 N 0.00 0.00 -0.02 1.69 4.39 -1.97 -1.71 114.58 116.96 1b4c h GLU 51 Ca 0.16 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 1b4c h GLU 51 Cb 1.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 1b4c h GLU 51 CO -0.00 0.27 -0.18 0.28 -1.16 0.00 0.00 179.01 178.22 1b4c h VAL 52 N 0.00 1.52 -0.38 3.13 2.07 0.62 -2.87 116.25 120.34 1b4c h VAL 52 Ca -0.00 -1.78 -0.04 0.00 0.82 0.00 0.00 66.70 65.70 1b4c h VAL 52 Cb 0.89 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1b4c h VAL 52 CO 0.03 0.48 0.07 0.58 0.02 0.00 0.00 177.57 178.75 1b4c h VAL 53 N -0.49 1.18 -0.70 2.57 2.07 -1.56 -2.24 116.25 117.08 1b4c h VAL 53 Ca -0.02 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1b4c h VAL 53 Cb 0.88 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1b4c h VAL 53 CO 0.04 0.24 0.42 0.44 0.02 0.00 0.00 177.57 178.73 1b4c h ASP 54 N 0.55 0.68 0.70 0.57 3.32 -1.27 -0.96 116.42 120.00 1b4c h ASP 54 Ca 0.13 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1b4c h ASP 54 Cb 0.25 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1b4c h ASP 54 CO 0.00 0.46 -0.31 0.11 -1.72 0.00 0.00 179.24 177.77 1b4c h LYS 55 N 0.81 0.00 0.53 3.56 1.57 -1.19 -2.65 116.57 119.21 1b4c h LYS 55 Ca 0.29 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1b4c h LYS 55 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1b4c h LYS 55 CO -0.14 0.31 -0.25 0.28 -0.57 0.00 0.00 179.45 179.09 1b4c h VAL 56 N 0.00 0.29 -0.40 0.50 2.07 -0.80 0.64 116.25 118.55 1b4c h VAL 56 Ca -0.00 -0.43 0.12 0.00 0.82 0.00 0.00 66.70 67.20 1b4c h VAL 56 Cb 0.75 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1b4c h VAL 56 CO 0.04 0.05 0.41 0.24 0.02 0.00 0.00 177.57 178.33 1b4c h MET 57 N -1.04 0.00 0.12 1.57 2.86 -1.33 0.06 114.93 117.17 1b4c h MET 57 Ca -0.07 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.24 1b4c h MET 57 Cb 0.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1b4c h MET 57 CO 0.12 0.00 -1.73 1.49 1.06 0.00 0.00 176.91 177.85 1b4c h GLU 58 N 0.00 0.25 -0.11 1.72 4.81 -1.09 -2.85 114.58 117.31 1b4c h GLU 58 Ca 0.19 -0.43 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1b4c h GLU 58 Cb 1.01 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1b4c h GLU 58 CO -0.00 1.10 -0.03 1.15 -0.73 0.00 0.00 179.01 180.50 1b4c h THR 59 N 0.07 1.29 0.34 0.32 2.02 0.21 -0.50 112.91 116.66 1b4c h THR 59 Ca -0.32 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 1b4c h THR 59 Cb 2.04 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 70.16 1b4c h THR 59 CO 0.13 0.28 -0.28 -0.07 0.37 0.00 0.00 175.52 175.95 1b4c h LEU 60 N -0.12 -0.73 -1.76 2.58 4.07 -1.24 0.20 115.31 118.32 1b4c h LEU 60 Ca 0.03 0.06 0.17 0.00 0.08 0.00 0.00 57.88 58.21 1b4c h LEU 60 Cb 0.45 0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 1b4c h LEU 60 CO 0.01 -0.42 0.64 0.44 -1.08 0.00 0.00 178.44 178.04 1b4c h ASP 61 N -0.63 0.00 -0.93 -0.43 3.32 -1.40 0.60 116.42 116.95 1b4c h ASP 61 Ca -0.02 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.39 1b4c h ASP 61 Cb 0.55 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.83 1b4c h ASP 61 CO -0.02 0.00 0.82 -0.62 -1.72 0.00 0.00 179.24 177.70 1b4c n GLU 62 N -3.59 2.57 -0.35 3.56 -0.58 0.69 -4.66 120.64 118.28 1b4c n GLU 62 Ca 0.12 -3.06 0.25 0.00 -0.42 0.00 0.00 57.16 54.05 1b4c n GLU 62 Cb 0.86 -2.20 0.50 0.00 -0.57 0.00 0.00 31.44 30.03 1b4c n GLU 62 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1b4c h ASP 63 N 1.92 0.48 0.00 1.62 3.58 0.39 -3.43 116.42 120.98 1b4c h ASP 63 Ca 0.57 0.17 0.00 0.00 0.42 0.00 0.00 57.03 58.19 1b4c h ASP 63 Cb 0.84 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1b4c h ASP 63 CO 1.49 -0.12 0.00 0.61 -2.88 0.00 0.00 179.24 178.34 1b4c n GLY 64 N -1.34 0.00 0.07 -0.78 0.00 -1.26 -4.53 105.19 97.35 1b4c n GLY 64 Ca 0.32 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.39 1b4c n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4c n ASP 65 N 0.00 0.71 0.00 1.61 2.03 -1.26 -5.00 116.55 114.65 1b4c n ASP 65 Ca 0.00 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.45 1b4c n ASP 65 Cb 0.00 0.87 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4c n GLY 66 N 1.18 2.60 3.20 0.27 0.00 -1.26 -4.90 105.19 106.28 1b4c n GLY 66 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1b4c n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b4c s GLU 67 N -0.01 0.34 -0.19 1.61 8.01 -1.26 -4.88 118.70 122.32 1b4c s GLU 67 Ca 0.00 0.64 -0.07 0.00 0.01 0.00 0.00 54.97 55.55 1b4c s GLU 67 Cb 0.00 -0.00 -0.04 0.00 -4.31 0.00 0.00 34.13 29.78 1b4c s GLU 67 CO 0.00 -0.13 0.05 0.00 0.01 0.00 0.00 175.26 175.18 1b4c n ASP 69 N 3.79 0.19 0.03 0.00 9.92 -1.26 0.50 116.55 129.72 1b4c n ASP 69 Ca -0.17 -1.22 -0.13 0.00 -0.53 0.00 0.00 54.79 52.74 1b4c n ASP 69 Cb 0.52 -0.23 -0.02 0.00 -0.64 0.00 0.00 41.12 40.75 1b4c n ASP 69 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1b4c h PHE 70 N -0.85 0.74 -0.90 1.24 3.04 -1.96 -3.01 116.94 115.25 1b4c h PHE 70 Ca -0.11 -0.34 0.13 0.00 3.98 0.00 0.00 57.97 61.63 1b4c h PHE 70 Cb 0.33 -0.11 -0.07 0.00 2.56 0.00 0.00 35.95 38.67 1b4c h PHE 70 CO 0.00 1.14 0.58 0.37 -2.02 0.00 0.00 178.31 178.38 1b4c h GLN 71 N 0.35 0.75 0.00 1.11 4.15 -1.99 0.37 115.11 119.85 1b4c h GLN 71 Ca -0.05 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 1b4c h GLN 71 Cb 1.41 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 1b4c h GLN 71 CO 0.15 0.49 -0.35 0.93 -1.93 0.00 0.00 178.83 178.12 1b4c h GLU 72 N 0.77 0.00 -0.05 1.69 5.08 -1.90 -2.21 114.58 117.96 1b4c h GLU 72 Ca 0.44 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.56 1b4c h GLU 72 Cb 0.61 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.88 1b4c h GLU 72 CO -0.20 0.35 -0.93 0.35 -1.00 0.00 0.00 179.01 177.58 1b4c h PHE 73 N 0.00 0.92 0.15 4.33 3.57 -0.23 -1.74 116.94 123.95 1b4c h PHE 73 Ca -0.00 -0.47 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1b4c h PHE 73 Cb 0.90 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1b4c h PHE 73 CO 0.00 1.29 -0.07 1.98 -2.23 0.00 0.00 178.31 179.28 1b4c h MET 74 N 0.39 -0.20 0.19 1.11 4.05 -0.88 -1.10 114.93 118.49 1b4c h MET 74 Ca -0.09 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1b4c h MET 74 Cb 1.56 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.39 1b4c h MET 74 CO 0.18 0.20 -0.18 0.00 0.23 0.00 0.00 176.91 177.33 1b4c h ALA 75 N 0.08 -0.37 -0.32 0.39 0.00 -1.48 -0.05 119.26 117.51 1b4c h ALA 75 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1b4c h ALA 75 Cb 0.48 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1b4c h ALA 75 CO 0.03 -0.73 0.10 0.74 0.00 0.00 0.00 179.25 179.39 1b4c h PHE 76 N -0.40 0.45 -0.18 0.00 0.04 -1.39 -1.43 116.94 114.03 1b4c h PHE 76 Ca 0.00 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 1b4c h PHE 76 Cb 0.38 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1b4c h PHE 76 CO -0.14 0.38 -0.34 0.28 -0.60 0.00 0.00 178.31 177.88 1b4c h VAL 77 N 0.45 1.29 -0.23 -0.55 2.07 -0.66 -3.01 116.25 115.61 1b4c h VAL 77 Ca 0.11 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1b4c h VAL 77 Cb 0.14 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1b4c h VAL 77 CO -0.01 0.44 0.03 -1.28 0.02 0.00 0.00 177.57 176.77 1b4c h SER 78 N 0.33 0.37 0.10 0.57 0.87 0.07 -2.64 113.55 113.23 1b4c h SER 78 Ca 0.04 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1b4c h SER 78 Cb 0.77 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1b4c h SER 78 CO 0.06 0.55 -0.25 0.24 -0.53 0.00 0.00 176.83 176.91 1b4c h MET 79 N 0.18 -0.42 -0.92 2.24 2.07 -1.36 0.26 114.93 116.98 1b4c h MET 79 Ca 0.07 0.03 0.13 0.00 -2.07 0.00 0.00 59.70 57.86 1b4c h MET 79 Cb 0.34 0.10 -0.07 0.00 -1.87 0.00 0.00 31.60 30.10 1b4c h MET 79 CO 0.01 -0.28 0.59 0.28 1.07 0.00 0.00 176.91 178.57 1b4c h VAL 80 N -0.44 0.88 0.05 -2.22 2.07 -1.53 2.39 116.25 117.46 1b4c h VAL 80 Ca 0.03 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1b4c h VAL 80 Cb 0.47 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1b4c h VAL 80 CO -0.15 0.15 -0.02 0.74 0.02 0.00 0.00 177.57 178.31 1b4c h THR 81 N 0.81 1.24 0.00 2.57 2.02 -0.92 -2.94 112.91 115.69 1b4c h THR 81 Ca 0.45 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1b4c h THR 81 Cb 0.59 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1b4c h THR 81 CO -0.22 0.24 0.00 0.71 0.37 0.00 0.00 175.52 176.63 1b4c h THR 82 N -0.49 0.00 -0.31 3.16 1.35 0.43 -2.93 112.91 114.12 1b4c h THR 82 Ca -0.01 -0.54 0.09 0.00 -0.55 0.00 0.00 66.41 65.40 1b4c h THR 82 Cb 0.44 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1b4c h THR 82 CO 0.01 0.00 0.31 0.00 -0.25 0.00 0.00 175.52 175.59 1b4c h ALA 83 N 2.07 2.02 -2.32 6.62 0.00 0.42 -3.41 119.26 124.66 1b4c h ALA 83 Ca 0.00 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 1b4c h ALA 83 Cb 0.57 0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.42 1b4c h ALA 83 CO 0.00 -0.47 0.38 0.00 0.00 0.00 0.00 179.25 179.16 1b4c n HIS 85 N -1.36 -2.27 -1.51 0.00 1.44 -1.26 -4.42 115.22 105.84 1b4c n HIS 85 Ca 0.09 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.41 1b4c n HIS 85 Cb 0.53 -1.40 -0.12 0.00 0.12 0.00 0.00 29.99 29.12 1b4c n HIS 85 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1b4c n GLU 86 N -1.75 0.27 0.29 -1.40 -0.58 -1.26 -4.71 120.64 111.51 1b4c n GLU 86 Ca 0.05 -0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.95 1b4c n GLU 86 Cb 0.39 -2.01 0.90 0.00 -0.57 0.00 0.00 31.44 30.14 1b4c n GLU 86 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1b4c h PHE 87 N 13.99 0.00 -1.00 -0.32 -0.00 -1.93 -2.02 116.94 125.67 1b4c h PHE 87 Ca -0.10 0.00 0.21 0.00 -0.00 0.00 0.00 57.97 58.08 1b4c h PHE 87 Cb 1.30 0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 37.15 1b4c h PHE 87 CO 1.06 0.03 0.62 0.74 -0.00 0.00 0.00 178.31 180.75 1b4c h PHE 88 N 0.00 0.95 -0.69 6.09 0.04 -1.98 -2.54 116.94 118.81 1b4c h PHE 88 Ca -0.00 0.03 -0.73 0.00 2.80 0.00 0.00 57.97 60.07 1b4c h PHE 88 Cb 0.10 -0.28 -0.09 0.00 2.20 0.00 0.00 35.95 37.88 1b4c h PHE 88 CO 0.00 0.19 2.71 0.39 -0.60 0.00 0.00 178.31 181.00 1b4c n GLU 89 N -4.72 3.50 -0.20 1.51 4.71 -0.76 -4.75 120.64 119.92 1b4c n GLU 89 Ca 0.23 -3.02 0.00 0.00 -0.01 0.00 0.00 57.16 54.36 1b4c n GLU 89 Cb 0.64 -2.99 0.00 0.00 -1.01 0.00 0.00 31.44 28.08 1b4c n GLU 89 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1b4c n HIS 90 N 4.29 0.00 1.97 -0.32 -0.00 -0.96 -5.01 115.22 115.19 1b4c n HIS 90 Ca 0.52 -0.58 0.16 0.00 0.46 0.00 0.00 57.72 58.28 1b4c n HIS 90 Cb 0.34 -0.34 0.93 0.00 -0.12 0.00 0.00 29.99 30.80 1b4c n HIS 90 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19