#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 5.37 0.39 6.12 1.04 -1.26 -4.90 113.70 120.47 1b4c s SER 1 Ca 0.00 0.73 0.09 0.00 0.48 0.00 0.00 55.95 57.25 1b4c s SER 1 Cb 0.00 -1.60 0.87 0.00 0.10 0.00 0.00 66.02 65.39 1b4c s SER 1 CO 0.00 -1.25 1.97 -0.08 0.98 0.00 0.00 173.24 174.86 1b4c h GLU 2 N -0.37 0.58 -0.02 4.02 4.57 -2.06 -2.01 114.58 119.28 1b4c h GLU 2 Ca -0.45 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1b4c h GLU 2 Cb 1.27 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1b4c h GLU 2 CO 0.61 0.38 -0.00 1.25 -1.18 0.00 0.00 179.01 180.07 1b4c h LEU 3 N 0.60 -0.01 -0.36 1.64 6.46 -2.00 -2.48 115.31 119.15 1b4c h LEU 3 Ca 0.29 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 58.08 1b4c h LEU 3 Cb 0.36 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1b4c h LEU 3 CO -0.09 -0.00 0.18 -0.33 -0.62 0.00 0.00 178.44 177.57 1b4c h GLU 4 N 0.00 0.35 -0.90 1.25 5.08 -1.75 -0.29 114.58 118.32 1b4c h GLU 4 Ca 0.01 -0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.59 1b4c h GLU 4 Cb 0.01 -0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.05 1b4c h GLU 4 CO -0.02 0.23 0.36 -0.22 -1.00 0.00 0.00 179.01 178.37 1b4c h LYS 5 N 0.37 0.31 0.00 2.33 1.63 -1.09 0.27 116.57 120.38 1b4c h LYS 5 Ca 0.15 -0.02 -0.18 0.00 -0.85 0.00 0.00 60.65 59.76 1b4c h LYS 5 Cb 0.07 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1b4c h LYS 5 CO -0.11 0.21 -0.84 0.00 -3.45 0.00 0.00 179.45 175.25 1b4c h ALA 6 N 1.76 0.47 -0.29 5.00 0.00 -0.89 -3.15 119.26 122.15 1b4c h ALA 6 Ca 0.58 -0.77 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1b4c h ALA 6 Cb 1.17 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1b4c h ALA 6 CO -0.58 1.06 0.13 1.98 0.00 0.00 0.00 179.25 181.83 1b4c h MET 7 N 0.00 0.27 -0.48 0.00 1.85 0.12 -1.28 114.93 115.41 1b4c h MET 7 Ca -0.01 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.03 1b4c h MET 7 Cb 1.63 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 33.57 1b4c h MET 7 CO 0.11 0.18 0.14 0.28 -0.40 0.00 0.00 176.91 177.22 1b4c h VAL 8 N 0.27 1.20 -0.32 -5.77 2.07 -1.52 -2.63 116.25 109.55 1b4c h VAL 8 Ca 0.13 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1b4c h VAL 8 Cb 0.07 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1b4c h VAL 8 CO -0.10 0.26 0.13 0.00 0.02 0.00 0.00 177.57 177.87 1b4c h ALA 9 N 1.45 0.38 -0.81 1.67 0.00 -1.22 -1.11 119.26 119.63 1b4c h ALA 9 Ca 0.16 0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.29 1b4c h ALA 9 Cb 0.23 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.89 1b4c h ALA 9 CO -0.01 -0.26 0.21 -0.07 0.00 0.00 0.00 179.25 179.12 1b4c h LEU 10 N 0.28 0.02 -0.44 0.00 -0.00 -0.98 0.40 115.31 114.60 1b4c h LEU 10 Ca 0.14 0.17 -0.06 0.00 -0.00 0.00 0.00 57.88 58.13 1b4c h LEU 10 Cb 0.09 0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 1b4c h LEU 10 CO -0.13 -0.08 0.04 0.40 -0.00 0.00 0.00 178.44 178.67 1b4c h ILE 11 N 0.26 1.25 -0.50 1.22 2.04 -1.34 0.94 117.51 121.38 1b4c h ILE 11 Ca 0.48 -0.95 0.10 0.00 1.00 0.00 0.00 64.86 65.48 1b4c h ILE 11 Cb 0.88 1.02 -0.09 0.00 -0.74 0.00 0.00 36.82 37.89 1b4c h ILE 11 CO -0.57 0.33 -0.08 0.44 0.00 0.00 0.00 178.15 178.27 1b4c h ASP 12 N 0.59 -0.37 0.02 1.72 3.32 0.93 -1.08 116.42 121.56 1b4c h ASP 12 Ca 0.13 0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.22 1b4c h ASP 12 Cb 0.43 0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.26 1b4c h ASP 12 CO 0.01 -0.13 -0.39 0.58 -1.72 0.00 0.00 179.24 177.59 1b4c h VAL 13 N 0.04 1.54 -0.94 -1.35 2.07 -0.95 -2.54 116.25 114.12 1b4c h VAL 13 Ca 0.24 -2.10 0.23 0.00 0.82 0.00 0.00 66.70 65.90 1b4c h VAL 13 Cb 0.37 2.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.93 1b4c h VAL 13 CO -0.48 0.58 0.63 0.15 0.02 0.00 0.00 177.57 178.48 1b4c h PHE 14 N -0.43 0.41 0.01 1.57 3.04 -0.54 0.23 116.94 121.23 1b4c h PHE 14 Ca -0.05 0.01 -0.22 0.00 3.98 0.00 0.00 57.97 61.69 1b4c h PHE 14 Cb 1.17 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.53 1b4c h PHE 14 CO 0.18 0.09 -1.05 1.25 -2.02 0.00 0.00 178.31 176.76 1b4c h HIS 15 N 0.29 0.04 -0.65 0.41 2.76 -1.21 -3.16 115.15 113.62 1b4c h HIS 15 Ca 0.49 -0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.73 1b4c h HIS 15 Cb 1.40 -0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.29 1b4c h HIS 15 CO -0.00 1.02 0.28 0.37 -1.30 0.00 0.00 177.93 178.30 1b4c h GLN 16 N 0.01 0.46 -0.12 5.26 4.15 -0.08 -0.30 115.11 124.49 1b4c h GLN 16 Ca -0.03 -0.03 -0.23 0.00 0.77 0.00 0.00 58.65 59.13 1b4c h GLN 16 Cb 1.80 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 29.39 1b4c h GLN 16 CO 0.13 0.31 -0.83 1.88 -1.93 0.00 0.00 178.83 178.39 1b4c h TYR 17 N 0.48 1.05 -2.15 3.99 -1.99 -1.63 -3.29 116.97 113.42 1b4c h TYR 17 Ca 0.33 -0.48 -0.79 0.00 2.00 0.00 0.00 58.73 59.78 1b4c h TYR 17 Cb 0.39 -0.15 -0.27 0.00 2.00 0.00 0.00 36.73 38.70 1b4c h TYR 17 CO -0.15 1.32 1.06 0.43 -0.00 0.00 0.00 178.16 180.82 1b4c n SER 18 N -3.91 7.43 -0.00 3.88 7.64 -0.63 -4.36 113.62 123.65 1b4c n SER 18 Ca -0.08 -3.73 0.02 0.00 1.01 0.00 0.00 58.87 56.08 1b4c n SER 18 Cb 0.77 -1.14 -0.02 0.00 -1.01 0.00 0.00 64.21 62.81 1b4c n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b4c n GLY 19 N -0.20 0.60 0.23 0.23 0.00 -0.22 -3.91 105.19 101.92 1b4c n GLY 19 Ca 0.49 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.42 1b4c n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1b4c h ARG 20 N 0.02 0.25 0.00 1.61 2.43 -1.85 -3.42 114.38 113.43 1b4c h ARG 20 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1b4c h ARG 20 Cb 0.09 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1b4c h ARG 20 CO 0.00 0.45 0.00 0.39 -1.51 0.00 0.00 179.97 179.30 1b4c n GLU 21 N -4.20 0.00 -0.52 0.20 1.02 -1.26 -4.98 120.64 110.91 1b4c n GLU 21 Ca -0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1b4c n GLU 21 Cb 0.33 -0.15 -0.00 0.00 -0.02 0.00 0.00 31.44 31.59 1b4c n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b4c n GLY 22 N 0.46 0.03 0.32 0.62 0.00 -1.25 -4.75 105.19 100.61 1b4c n GLY 22 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.21 -3.01 1.61 5.19 -1.93 -3.41 116.42 113.66 1b4c h ASP 23 Ca -0.01 0.15 -0.45 0.00 -0.62 0.00 0.00 57.03 56.10 1b4c h ASP 23 Cb 0.50 0.48 0.08 0.00 0.18 0.00 0.00 39.33 40.56 1b4c h ASP 23 CO 0.01 -0.32 0.14 -0.54 -3.12 0.00 0.00 179.24 175.41 1b4c s LYS 24 N -4.84 2.01 -0.46 3.56 1.02 -1.26 -5.01 119.74 114.76 1b4c s LYS 24 Ca -0.10 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 55.29 1b4c s LYS 24 Cb 0.05 -2.27 0.42 0.00 -0.52 0.00 0.00 37.83 35.51 1b4c s LYS 24 CO 0.42 -1.26 1.16 -2.39 -0.92 0.00 0.00 175.35 172.36 1b4c n HIS 25 N -2.82 3.39 -4.27 3.18 1.44 -1.26 -5.02 115.22 109.85 1b4c n HIS 25 Ca 0.11 -3.06 -0.19 0.00 -2.01 0.00 0.00 57.72 52.56 1b4c n HIS 25 Cb 0.60 -0.14 -0.13 0.00 0.12 0.00 0.00 29.99 30.44 1b4c n HIS 25 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1b4c s LYS 26 N -3.57 0.86 -0.02 -1.40 1.02 -1.26 -4.50 119.74 110.87 1b4c s LYS 26 Ca 0.48 -0.80 0.07 0.00 0.02 0.00 0.00 55.97 55.74 1b4c s LYS 26 Cb 0.40 -0.86 -0.02 0.00 -0.52 0.00 0.00 37.83 36.84 1b4c s LYS 26 CO -0.20 0.20 -0.24 -1.17 -0.92 0.00 0.00 175.35 173.03 1b4c s LEU 27 N -1.32 2.05 0.30 3.17 0.20 0.33 -4.93 118.68 118.48 1b4c s LEU 27 Ca -0.00 -0.44 -0.15 0.00 0.69 0.00 0.00 54.13 54.23 1b4c s LEU 27 Cb -0.08 -1.23 -0.09 0.00 -0.43 0.00 0.00 46.19 44.36 1b4c s LEU 27 CO 0.01 0.29 0.72 -0.54 -0.29 0.00 0.00 176.35 176.55 1b4c s LYS 28 N -0.58 4.03 0.25 1.98 1.02 -1.26 0.60 119.74 125.78 1b4c s LYS 28 Ca 0.09 0.68 -0.05 0.00 0.02 0.00 0.00 55.97 56.71 1b4c s LYS 28 Cb -0.09 -2.51 0.35 0.00 -0.52 0.00 0.00 37.83 35.06 1b4c s LYS 28 CO -0.01 0.20 1.86 1.57 -0.92 0.00 0.00 175.35 178.05 1b4c h LYS 29 N 2.45 0.99 -0.98 1.68 2.10 -1.90 -0.20 116.57 120.71 1b4c h LYS 29 Ca -0.48 -0.06 0.06 0.00 -2.00 0.00 0.00 60.65 58.17 1b4c h LYS 29 Cb 1.18 -0.22 -0.06 0.00 -0.90 0.00 0.00 32.23 32.22 1b4c h LYS 29 CO 0.65 0.66 0.64 0.77 -2.00 0.00 0.00 179.45 180.17 1b4c h SER 30 N 1.02 1.02 0.63 7.07 0.02 -1.93 0.19 113.55 121.58 1b4c h SER 30 Ca 0.39 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.07 1b4c h SER 30 Cb 0.17 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1b4c h SER 30 CO -0.17 0.67 -1.25 -0.33 -1.14 0.00 0.00 176.83 174.60 1b4c h GLU 31 N 1.17 0.26 -0.47 3.45 5.08 -1.75 -3.22 114.58 119.10 1b4c h GLU 31 Ca 0.41 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1b4c h GLU 31 Cb 0.12 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1b4c h GLU 31 CO -0.15 1.21 0.29 1.25 -1.00 0.00 0.00 179.01 180.60 1b4c h LEU 32 N 0.07 0.56 0.20 1.33 5.85 -0.49 -2.12 115.31 120.72 1b4c h LEU 32 Ca -0.14 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1b4c h LEU 32 Cb 1.97 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.82 1b4c h LEU 32 CO 0.20 0.44 -0.39 0.50 -0.34 0.00 0.00 178.44 178.85 1b4c h LYS 33 N 0.62 -0.66 -1.04 1.25 3.64 -1.02 0.96 116.57 120.34 1b4c h LYS 33 Ca 0.17 0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.86 1b4c h LYS 33 Cb -0.02 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 31.86 1b4c h LYS 33 CO -0.03 -0.44 0.66 1.49 -2.27 0.00 0.00 179.45 178.86 1b4c h GLU 34 N -0.68 0.39 -0.30 1.90 4.22 -1.52 0.53 114.58 119.12 1b4c h GLU 34 Ca 0.01 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.30 1b4c h GLU 34 Cb 0.67 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1b4c h GLU 34 CO -0.18 0.26 -0.31 1.25 -2.18 0.00 0.00 179.01 177.85 1b4c h LEU 35 N 0.40 0.65 -1.29 1.64 6.46 -0.22 -2.79 115.31 120.18 1b4c h LEU 35 Ca 0.60 -0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 58.08 1b4c h LEU 35 Cb 1.49 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 41.21 1b4c h LEU 35 CO -0.30 0.92 0.23 0.40 -0.62 0.00 0.00 178.44 179.07 1b4c h ILE 36 N 0.54 1.18 -0.07 4.05 2.04 0.20 -2.06 117.51 123.39 1b4c h ILE 36 Ca 0.06 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1b4c h ILE 36 Cb 0.80 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1b4c h ILE 36 CO 0.07 0.21 -0.01 -1.13 0.00 0.00 0.00 178.15 177.29 1b4c h ASN 37 N 0.72 0.13 -0.15 1.72 -0.00 -1.16 0.12 115.58 116.96 1b4c h ASN 37 Ca 0.18 -0.33 0.00 0.00 -0.00 0.00 0.00 56.30 56.15 1b4c h ASN 37 Cb 0.10 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.39 1b4c h ASN 37 CO -0.02 0.43 0.00 -3.20 -0.00 0.00 0.00 177.43 174.64 1b4c n ASN 38 N -4.84 1.16 0.00 1.15 5.15 -1.16 -3.18 115.26 113.53 1b4c n ASN 38 Ca -0.07 -1.72 0.00 0.00 -0.60 0.00 0.00 54.58 52.19 1b4c n ASN 38 Cb 0.20 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 1b4c n ASN 38 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1b4c n GLU 39 N 0.02 2.47 -0.32 1.20 -0.58 -0.79 -4.76 120.64 117.89 1b4c n GLU 39 Ca 0.13 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.95 1b4c n GLU 39 Cb 0.23 -0.85 0.18 0.00 -0.57 0.00 0.00 31.44 30.43 1b4c n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1b4c n LEU 40 N -1.39 2.94 0.22 -4.62 4.77 0.40 -4.63 117.00 114.68 1b4c n LEU 40 Ca 0.00 -3.28 0.10 0.00 -0.03 0.00 0.00 56.01 52.80 1b4c n LEU 40 Cb 0.23 -0.49 0.46 0.00 -2.33 0.00 0.00 43.42 41.29 1b4c n LEU 40 CO 0.00 0.87 0.81 -1.28 -1.33 0.00 0.00 177.39 176.46 1b4c h SER 41 N 0.67 0.00 -0.00 -1.43 0.87 -1.65 -2.76 113.55 109.24 1b4c h SER 41 Ca 0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1b4c h SER 41 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1b4c h SER 41 CO 0.09 0.22 -0.01 -0.74 -0.53 0.00 0.00 176.83 175.85 1b4c h HIS 42 N 0.00 0.02 0.00 2.24 -0.00 -1.89 -3.13 115.15 112.39 1b4c h HIS 42 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1b4c h HIS 42 Cb 0.75 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1b4c h HIS 42 CO 0.00 0.66 0.00 0.74 -0.00 0.00 0.00 177.93 179.33 1b4c h PHE 43 N -0.62 0.00 -0.63 5.26 -1.00 -1.90 -2.90 116.94 115.16 1b4c h PHE 43 Ca -0.00 0.00 0.18 0.00 2.81 0.00 0.00 57.97 60.96 1b4c h PHE 43 Cb 0.66 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.19 1b4c h PHE 43 CO 0.15 0.00 0.66 1.25 -1.61 0.00 0.00 178.31 178.76 1b4c h LEU 44 N 0.00 0.00 0.14 1.54 7.12 -1.43 0.32 115.31 123.00 1b4c h LEU 44 Ca 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.71 1b4c h LEU 44 Cb 0.39 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 40.54 1b4c h LEU 44 CO 0.00 0.00 -1.29 -0.08 -0.13 0.00 0.00 178.44 176.94 1b4c h GLU 45 N 0.00 0.56 -2.50 1.25 4.81 -1.69 -3.34 114.58 113.67 1b4c h GLU 45 Ca 0.30 -0.81 -0.69 0.00 -0.13 0.00 0.00 59.36 58.03 1b4c h GLU 45 Cb 1.62 0.28 -0.13 0.00 0.63 0.00 0.00 28.75 31.15 1b4c h GLU 45 CO -0.00 1.37 2.02 0.39 -0.73 0.00 0.00 179.01 182.06 1b4c n GLU 46 N -3.74 4.15 -3.97 1.92 1.02 0.11 -4.86 120.64 115.27 1b4c n GLU 46 Ca -0.14 -3.21 -0.33 0.00 -0.02 0.00 0.00 57.16 53.46 1b4c n GLU 46 Cb 1.01 -2.53 -0.14 0.00 -0.02 0.00 0.00 31.44 29.76 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 -1.31 2.57 -0.16 -3.67 -1.09 -1.24 -4.64 121.20 111.66 1b4c s ILE 47 Ca 0.55 -1.93 -0.24 0.00 -2.23 0.00 0.00 60.65 56.81 1b4c s ILE 47 Cb 0.22 -2.69 -0.21 0.00 -1.58 0.00 0.00 42.46 38.20 1b4c s ILE 47 CO -0.12 -0.37 0.49 0.11 -1.23 0.00 0.00 174.94 173.82 1b4c h LYS 48 N 7.81 0.00 -6.02 2.79 1.57 -1.89 -3.42 116.57 117.41 1b4c h LYS 48 Ca -0.13 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.07 1b4c h LYS 48 Cb 1.04 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.24 1b4c h LYS 48 CO 0.54 0.89 0.76 -1.21 -0.57 0.00 0.00 179.45 179.85 1b4c s GLU 49 N -2.22 3.28 0.40 3.15 8.01 -1.26 -4.85 118.70 125.21 1b4c s GLU 49 Ca -0.21 -0.29 0.21 0.00 0.01 0.00 0.00 54.97 54.69 1b4c s GLU 49 Cb 0.00 -4.12 0.33 0.00 -4.31 0.00 0.00 34.13 26.03 1b4c s GLU 49 CO 0.59 -1.76 1.59 1.96 0.01 0.00 0.00 175.26 177.65 1b4c h GLN 50 N 9.59 0.00 0.00 1.61 4.20 -1.99 -3.17 115.11 125.36 1b4c h GLN 50 Ca -0.27 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 1b4c h GLN 50 Cb 1.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 1b4c h GLN 50 CO 1.18 0.14 -0.13 0.93 -0.67 0.00 0.00 178.83 180.28 1b4c h GLU 51 N 0.00 0.00 -0.00 1.46 4.39 -1.99 -2.03 114.58 116.41 1b4c h GLU 51 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1b4c h GLU 51 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1b4c h GLU 51 CO 0.02 0.13 -0.00 0.28 -1.16 0.00 0.00 179.01 178.28 1b4c h VAL 52 N 0.00 1.59 -0.31 3.13 2.07 -1.96 -2.74 116.25 118.02 1b4c h VAL 52 Ca -0.00 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.77 1b4c h VAL 52 Cb 0.77 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 1b4c h VAL 52 CO 0.02 0.45 0.10 0.58 0.02 0.00 0.00 177.57 178.73 1b4c h VAL 53 N -0.73 1.14 -0.34 2.57 2.07 -1.65 -2.27 116.25 117.04 1b4c h VAL 53 Ca -0.00 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1b4c h VAL 53 Cb 0.74 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1b4c h VAL 53 CO 0.00 0.17 0.23 0.44 0.02 0.00 0.00 177.57 178.43 1b4c h ASP 54 N 0.44 0.40 0.54 0.57 3.32 -1.34 -2.00 116.42 118.35 1b4c h ASP 54 Ca 0.11 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1b4c h ASP 54 Cb 0.14 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1b4c h ASP 54 CO -0.01 0.29 -0.28 0.50 -1.72 0.00 0.00 179.24 178.03 1b4c h LYS 55 N 0.46 0.00 0.50 3.56 3.64 -1.11 -2.79 116.57 120.84 1b4c h LYS 55 Ca 0.13 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1b4c h LYS 55 Cb -0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1b4c h LYS 55 CO -0.03 0.28 -0.24 0.28 -2.27 0.00 0.00 179.45 177.47 1b4c h VAL 56 N 0.00 0.45 -0.23 2.00 2.07 -0.85 0.30 116.25 119.98 1b4c h VAL 56 Ca -0.00 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1b4c h VAL 56 Cb 0.62 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1b4c h VAL 56 CO 0.04 0.05 0.27 0.24 0.02 0.00 0.00 177.57 178.18 1b4c h MET 57 N -0.87 0.00 0.10 1.57 2.86 -1.31 0.24 114.93 117.51 1b4c h MET 57 Ca -0.07 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.26 1b4c h MET 57 Cb 0.59 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1b4c h MET 57 CO 0.11 0.00 -1.60 0.93 1.06 0.00 0.00 176.91 177.41 1b4c h GLU 58 N 0.00 0.21 -0.15 1.72 5.08 -1.17 -2.55 114.58 117.73 1b4c h GLU 58 Ca 0.11 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1b4c h GLU 58 Cb 0.65 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1b4c h GLU 58 CO -0.00 1.04 -0.05 1.15 -1.00 0.00 0.00 179.01 180.15 1b4c h THR 59 N 0.06 1.30 0.62 1.13 2.02 0.14 -0.11 112.91 118.07 1b4c h THR 59 Ca -0.27 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 65.84 1b4c h THR 59 Cb 2.01 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 1b4c h THR 59 CO 0.14 0.31 -0.34 -0.07 0.37 0.00 0.00 175.52 175.93 1b4c h LEU 60 N -0.03 -0.82 -1.65 2.58 4.07 -1.17 0.99 115.31 119.29 1b4c h LEU 60 Ca 0.03 0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.11 1b4c h LEU 60 Cb 0.50 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 1b4c h LEU 60 CO 0.02 -0.55 0.55 -0.78 -1.08 0.00 0.00 178.44 176.60 1b4c h ASP 61 N -0.89 0.00 -1.11 -0.43 3.58 -1.40 0.49 116.42 116.66 1b4c h ASP 61 Ca -0.08 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.70 1b4c h ASP 61 Cb 0.70 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.44 1b4c h ASP 61 CO 0.11 0.00 0.62 -0.62 -2.88 0.00 0.00 179.24 176.47 1b4c n GLU 62 N -3.17 2.85 -0.45 0.28 -0.58 0.32 -4.72 120.64 115.18 1b4c n GLU 62 Ca 0.04 -3.48 0.37 0.00 -0.42 0.00 0.00 57.16 53.67 1b4c n GLU 62 Cb 0.66 -2.28 0.67 0.00 -0.57 0.00 0.00 31.44 29.92 1b4c n GLU 62 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1b4c h ASP 63 N 2.18 0.20 0.00 1.62 2.03 0.24 -3.43 116.42 119.25 1b4c h ASP 63 Ca 0.56 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.95 1b4c h ASP 63 Cb 0.81 0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 1b4c h ASP 63 CO 1.44 -0.08 0.00 0.61 -1.03 0.00 0.00 179.24 180.18 1b4c n GLY 64 N -1.62 0.00 0.07 7.15 0.00 -1.26 -4.48 105.19 105.05 1b4c n GLY 64 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.29 1b4c n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b4c n ASP 65 N 0.00 1.93 0.00 1.61 5.68 -1.26 -5.02 116.55 119.49 1b4c n ASP 65 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1b4c n ASP 65 Cb 0.00 0.63 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b4c n GLY 66 N 2.28 2.68 3.18 6.12 0.00 -1.26 -5.01 105.19 113.18 1b4c n GLY 66 Ca -0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1b4c n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1b4c s GLU 67 N -0.29 0.32 -0.23 1.61 1.03 -1.26 -4.87 118.70 115.01 1b4c s GLU 67 Ca 0.00 0.64 -0.09 0.00 0.03 0.00 0.00 54.97 55.55 1b4c s GLU 67 Cb 0.00 -0.03 -0.04 0.00 -0.80 0.00 0.00 34.13 33.25 1b4c s GLU 67 CO 0.00 -0.14 0.12 0.00 -1.33 0.00 0.00 175.26 173.91 1b4c n ASP 69 N 4.20 0.17 0.16 0.00 9.92 -1.26 0.12 116.55 129.86 1b4c n ASP 69 Ca -0.16 -1.24 0.03 0.00 -0.53 0.00 0.00 54.79 52.90 1b4c n ASP 69 Cb 0.52 -0.32 0.21 0.00 -0.64 0.00 0.00 41.12 40.89 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 -1.02 0.00 -0.47 1.24 3.04 -1.96 -2.94 116.94 114.82 1b4c h PHE 70 Ca -0.14 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.78 1b4c h PHE 70 Cb 0.42 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1b4c h PHE 70 CO 0.00 0.48 0.16 1.96 -2.02 0.00 0.00 178.31 178.89 1b4c h GLN 71 N 0.00 0.69 0.00 1.11 4.20 -1.97 -0.93 115.11 118.22 1b4c h GLN 71 Ca -0.00 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1b4c h GLN 71 Cb 1.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 1b4c h GLN 71 CO 0.06 0.60 -0.21 0.93 -0.67 0.00 0.00 178.83 179.54 1b4c h GLU 72 N 0.68 0.00 0.12 1.46 4.39 -1.88 -2.65 114.58 116.70 1b4c h GLU 72 Ca 0.16 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.62 1b4c h GLU 72 Cb 0.19 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1b4c h GLU 72 CO -0.01 0.21 -1.03 0.35 -1.16 0.00 0.00 179.01 177.36 1b4c h PHE 73 N 0.00 0.81 -0.04 4.33 3.04 -1.16 -1.74 116.94 122.18 1b4c h PHE 73 Ca -0.00 -0.53 -0.12 0.00 3.98 0.00 0.00 57.97 61.30 1b4c h PHE 73 Cb 0.82 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.25 1b4c h PHE 73 CO 0.00 1.38 -0.52 1.98 -2.02 0.00 0.00 178.31 179.13 1b4c h MET 74 N 0.01 0.10 0.02 1.11 4.05 -1.29 -1.95 114.93 116.98 1b4c h MET 74 Ca -0.16 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.20 1b4c h MET 74 Cb 1.76 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.56 1b4c h MET 74 CO 0.20 0.60 -0.01 0.00 0.23 0.00 0.00 176.91 177.93 1b4c h ALA 75 N 1.39 -0.02 -0.43 0.39 0.00 -1.53 -3.03 119.26 116.02 1b4c h ALA 75 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1b4c h ALA 75 Cb 0.95 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1b4c h ALA 75 CO 0.07 -0.03 0.28 0.74 0.00 0.00 0.00 179.25 180.32 1b4c h PHE 76 N -0.99 0.48 -0.16 0.00 0.04 -1.40 0.40 116.94 115.30 1b4c h PHE 76 Ca -0.00 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1b4c h PHE 76 Cb 0.48 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1b4c h PHE 76 CO 0.13 0.29 -0.17 0.28 -0.60 0.00 0.00 178.31 178.24 1b4c h VAL 77 N 0.50 1.20 0.07 -0.55 2.07 -1.45 -2.86 116.25 115.23 1b4c h VAL 77 Ca 0.17 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1b4c h VAL 77 Cb 0.06 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1b4c h VAL 77 CO -0.04 0.28 -0.03 0.28 0.02 0.00 0.00 177.57 178.08 1b4c h SER 78 N 0.25 -0.08 -1.00 0.57 0.02 -0.80 -2.24 113.55 110.27 1b4c h SER 78 Ca 0.05 -0.39 0.20 0.00 -0.84 0.00 0.00 61.79 60.81 1b4c h SER 78 Cb 0.45 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.90 1b4c h SER 78 CO 0.03 0.37 0.60 0.24 -1.14 0.00 0.00 176.83 176.93 1b4c h MET 79 N -0.55 0.69 0.32 3.45 2.07 -1.25 2.21 114.93 121.87 1b4c h MET 79 Ca -0.01 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.56 1b4c h MET 79 Cb 0.47 -0.16 0.00 0.00 -1.87 0.00 0.00 31.60 30.05 1b4c h MET 79 CO 0.02 0.46 -0.16 0.28 1.07 0.00 0.00 176.91 178.58 1b4c h VAL 80 N 0.71 0.40 -0.84 -2.22 2.07 -1.46 0.65 116.25 115.55 1b4c h VAL 80 Ca 0.59 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1b4c h VAL 80 Cb 0.98 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1b4c h VAL 80 CO -0.41 0.09 0.53 0.71 0.02 0.00 0.00 177.57 178.52 1b4c h THR 81 N -1.00 1.22 0.00 2.57 1.35 -0.88 -0.60 112.91 115.58 1b4c h THR 81 Ca -0.04 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 1b4c h THR 81 Cb 0.49 0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1b4c h THR 81 CO 0.07 0.23 -0.06 0.74 -0.25 0.00 0.00 175.52 176.25 1b4c h THR 82 N 1.15 0.13 -0.78 6.82 2.02 0.37 -3.18 112.91 119.43 1b4c h THR 82 Ca 0.31 -0.88 0.13 0.00 0.77 0.00 0.00 66.41 66.73 1b4c h THR 82 Cb -0.09 1.78 -0.09 0.00 -1.74 0.00 0.00 68.15 68.02 1b4c h THR 82 CO -0.06 0.06 0.38 0.00 0.37 0.00 0.00 175.52 176.26 1b4c h ALA 83 N 1.94 1.12 0.00 6.16 0.00 0.20 -0.83 119.26 127.85 1b4c h ALA 83 Ca -0.00 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1b4c h ALA 83 Cb 0.78 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1b4c h ALA 83 CO 0.01 -0.10 -0.23 0.00 0.00 0.00 0.00 179.25 178.92 1b4c n HIS 85 N 2.56 -1.55 -1.51 0.00 1.44 -0.32 -2.72 115.22 113.12 1b4c n HIS 85 Ca 0.35 0.34 -0.18 0.00 -2.01 0.00 0.00 57.72 56.22 1b4c n HIS 85 Cb 0.75 -1.44 -0.08 0.00 0.12 0.00 0.00 29.99 29.34 1b4c n HIS 85 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1b4c n GLU 86 N -0.08 -1.35 0.29 -1.40 2.13 -1.26 -4.81 120.64 114.17 1b4c n GLU 86 Ca 0.01 1.12 0.16 0.00 0.66 0.00 0.00 57.16 59.10 1b4c n GLU 86 Cb 0.56 -5.42 0.91 0.00 0.27 0.00 0.00 31.44 27.76 1b4c n GLU 86 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1b4c h PHE 87 N 0.00 0.00 -1.00 4.31 -0.00 -1.91 -2.25 116.94 116.09 1b4c h PHE 87 Ca -0.36 0.00 0.22 0.00 -0.00 0.00 0.00 57.97 57.83 1b4c h PHE 87 Cb 1.21 0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 37.06 1b4c h PHE 87 CO 0.53 0.04 0.62 0.74 -0.00 0.00 0.00 178.31 180.24 1b4c h PHE 88 N 0.00 0.88 -0.57 6.09 0.04 -1.89 -2.29 116.94 119.19 1b4c h PHE 88 Ca -0.00 0.03 -0.71 0.00 2.80 0.00 0.00 57.97 60.09 1b4c h PHE 88 Cb 0.14 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 1b4c h PHE 88 CO 0.00 0.16 3.09 0.39 -0.60 0.00 0.00 178.31 181.35 1b4c n GLU 89 N -4.70 4.00 -1.54 1.51 1.02 -0.85 -4.86 120.64 115.22 1b4c n GLU 89 Ca 0.24 -2.84 -0.33 0.00 -0.02 0.00 0.00 57.16 54.20 1b4c n GLU 89 Cb 0.68 -2.78 -0.07 0.00 -0.02 0.00 0.00 31.44 29.25 1b4c n GLU 89 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1b4c n HIS 90 N 3.04 1.93 -0.26 -0.32 -0.00 -0.86 -5.13 115.22 113.63 1b4c n HIS 90 Ca 0.67 -1.31 0.00 0.00 0.46 0.00 0.00 57.72 57.54 1b4c n HIS 90 Cb 0.26 -2.12 0.00 0.00 -0.12 0.00 0.00 29.99 28.01 1b4c n HIS 90 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19