#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 4.09 0.39 7.83 1.04 -1.26 -4.90 113.70 120.89 1b4c s SER 1 Ca 0.00 0.27 0.07 0.00 0.48 0.00 0.00 55.95 56.78 1b4c s SER 1 Cb 0.00 -0.64 0.79 0.00 0.10 0.00 0.00 66.02 66.27 1b4c s SER 1 CO 0.00 -2.08 1.98 -0.33 0.98 0.00 0.00 173.24 173.78 1b4c h GLU 2 N -1.01 0.43 0.28 4.02 4.39 -2.06 -2.75 114.58 117.88 1b4c h GLU 2 Ca -0.43 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 1b4c h GLU 2 Cb 1.28 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1b4c h GLU 2 CO 0.49 0.40 -0.13 1.25 -1.16 0.00 0.00 179.01 179.86 1b4c h LEU 3 N 0.43 -0.31 -0.53 1.33 6.46 -1.99 -2.68 115.31 118.01 1b4c h LEU 3 Ca 0.10 -0.10 0.10 0.00 -0.12 0.00 0.00 57.88 57.86 1b4c h LEU 3 Cb 0.16 0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 40.09 1b4c h LEU 3 CO -0.01 -0.09 0.06 -0.33 -0.62 0.00 0.00 178.44 177.45 1b4c h GLU 4 N -0.53 0.17 -0.99 1.25 5.08 -1.88 0.17 114.58 117.85 1b4c h GLU 4 Ca -0.04 -0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.53 1b4c h GLU 4 Cb 0.39 -0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 1b4c h GLU 4 CO 0.06 0.12 0.59 -0.22 -1.00 0.00 0.00 179.01 178.55 1b4c h LYS 5 N 0.18 0.64 0.00 2.33 3.64 -1.35 0.19 116.57 122.21 1b4c h LYS 5 Ca 0.27 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1b4c h LYS 5 Cb 0.40 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1b4c h LYS 5 CO -0.40 0.42 -0.68 0.00 -2.27 0.00 0.00 179.45 176.53 1b4c h ALA 6 N 1.68 0.67 -0.32 5.00 0.00 -0.42 -2.74 119.26 123.13 1b4c h ALA 6 Ca 0.60 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1b4c h ALA 6 Cb 1.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1b4c h ALA 6 CO -0.43 0.85 0.15 1.98 0.00 0.00 0.00 179.25 181.79 1b4c h MET 7 N 0.00 0.47 -0.21 0.00 1.85 0.12 -1.70 114.93 115.46 1b4c h MET 7 Ca -0.01 -0.07 -0.13 0.00 -0.61 0.00 0.00 59.70 58.87 1b4c h MET 7 Cb 1.38 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 33.32 1b4c h MET 7 CO 0.09 0.45 -0.43 0.28 -0.40 0.00 0.00 176.91 176.90 1b4c h VAL 8 N 0.38 1.31 -0.04 -5.77 2.07 -1.49 -3.13 116.25 109.58 1b4c h VAL 8 Ca 0.11 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1b4c h VAL 8 Cb 0.14 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1b4c h VAL 8 CO -0.01 0.50 0.03 0.00 0.02 0.00 0.00 177.57 178.11 1b4c h ALA 9 N 1.11 0.05 0.03 1.67 0.00 -1.16 -2.11 119.26 118.85 1b4c h ALA 9 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1b4c h ALA 9 Cb 0.93 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1b4c h ALA 9 CO 0.08 -0.44 -0.44 -0.07 0.00 0.00 0.00 179.25 178.39 1b4c h LEU 10 N 0.04 -1.32 -1.00 0.00 3.38 -1.29 -0.12 115.31 115.00 1b4c h LEU 10 Ca 0.02 0.15 0.14 0.00 0.09 0.00 0.00 57.88 58.28 1b4c h LEU 10 Cb 0.02 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 41.18 1b4c h LEU 10 CO -0.00 -0.48 0.63 0.40 0.09 0.00 0.00 178.44 179.08 1b4c h ILE 11 N -0.61 0.87 -0.30 1.22 2.04 -1.49 0.10 117.51 119.34 1b4c h ILE 11 Ca 0.04 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.43 1b4c h ILE 11 Cb 0.67 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1b4c h ILE 11 CO -0.30 0.17 -0.41 0.44 0.00 0.00 0.00 178.15 178.05 1b4c h ASP 12 N 0.94 0.78 -0.38 1.72 3.32 -0.58 -1.63 116.42 120.58 1b4c h ASP 12 Ca 0.52 -0.36 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1b4c h ASP 12 Cb 0.59 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1b4c h ASP 12 CO -0.29 1.09 -0.25 0.58 -1.72 0.00 0.00 179.24 178.64 1b4c h VAL 13 N 0.59 1.28 -0.44 -1.35 2.07 0.17 0.20 116.25 118.78 1b4c h VAL 13 Ca 0.05 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1b4c h VAL 13 Cb 0.95 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1b4c h VAL 13 CO 0.09 0.47 0.25 0.15 0.02 0.00 0.00 177.57 178.54 1b4c h PHE 14 N 0.65 0.57 0.01 1.57 3.04 -0.92 -1.55 116.94 120.31 1b4c h PHE 14 Ca 0.08 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.84 1b4c h PHE 14 Cb 0.82 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.13 1b4c h PHE 14 CO 0.06 0.40 -0.87 1.25 -2.02 0.00 0.00 178.31 177.13 1b4c h HIS 15 N 0.60 0.17 -0.78 0.41 2.76 -0.79 -3.18 115.15 114.34 1b4c h HIS 15 Ca 0.16 -0.09 0.12 0.00 -2.20 0.00 0.00 60.37 58.36 1b4c h HIS 15 Cb 0.01 -0.02 -0.08 0.00 1.55 0.00 0.00 27.41 28.86 1b4c h HIS 15 CO 0.00 0.92 0.38 0.37 -1.30 0.00 0.00 177.93 178.31 1b4c h GLN 16 N 0.06 0.58 -0.16 5.26 5.75 0.45 -1.36 115.11 125.69 1b4c h GLN 16 Ca -0.03 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.33 1b4c h GLN 16 Cb 1.51 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.93 1b4c h GLN 16 CO 0.12 0.38 -0.29 1.88 -2.65 0.00 0.00 178.83 178.27 1b4c h TYR 17 N 0.60 0.60 -1.92 3.99 -1.99 -1.58 -3.29 116.97 113.39 1b4c h TYR 17 Ca 0.41 -0.21 -0.78 0.00 2.00 0.00 0.00 58.73 60.15 1b4c h TYR 17 Cb 0.52 -0.11 -0.23 0.00 2.00 0.00 0.00 36.73 38.91 1b4c h TYR 17 CO -0.11 0.92 1.33 0.45 -0.00 0.00 0.00 178.16 180.76 1b4c n SER 18 N -4.38 7.51 -0.00 3.88 2.88 -0.61 -4.33 113.62 118.56 1b4c n SER 18 Ca -0.06 -3.56 0.01 0.00 -1.33 0.00 0.00 58.87 53.93 1b4c n SER 18 Cb 0.47 -1.21 -0.02 0.00 -0.75 0.00 0.00 64.21 62.71 1b4c n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b4c n GLY 19 N 0.34 0.33 0.25 0.46 0.00 -0.63 -3.79 105.19 102.14 1b4c n GLY 19 Ca 0.51 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 0.28 0.00 1.61 2.43 -1.84 -3.41 114.38 113.45 1b4c h ARG 20 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1b4c h ARG 20 Cb 0.08 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1b4c h ARG 20 CO 0.00 0.35 0.00 0.39 -1.51 0.00 0.00 179.97 179.20 1b4c n GLU 21 N -4.33 0.00 -0.91 0.20 1.02 -1.26 -4.98 120.64 110.37 1b4c n GLU 21 Ca -0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1b4c n GLU 21 Cb 0.22 -0.16 -0.02 0.00 -0.02 0.00 0.00 31.44 31.46 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 0.41 0.36 0.40 0.62 0.00 -1.25 -4.73 105.19 101.01 1b4c n GLY 22 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.42 -2.20 1.61 3.32 -1.93 -3.40 116.42 112.39 1b4c h ASP 23 Ca -0.08 0.20 -0.46 0.00 0.02 0.00 0.00 57.03 56.71 1b4c h ASP 23 Cb 0.31 0.60 0.08 0.00 0.22 0.00 0.00 39.33 40.54 1b4c h ASP 23 CO 0.11 -0.40 0.09 -0.54 -1.72 0.00 0.00 179.24 176.78 1b4c s LYS 24 N -5.85 1.81 -0.41 3.56 3.01 -1.26 -5.03 119.74 115.57 1b4c s LYS 24 Ca -0.15 -1.06 0.08 0.00 -1.01 0.00 0.00 55.97 53.83 1b4c s LYS 24 Cb 0.10 -2.35 0.43 0.00 -1.01 0.00 0.00 37.83 35.00 1b4c s LYS 24 CO 0.64 -1.34 1.06 -2.39 0.51 0.00 0.00 175.35 173.84 1b4c n HIS 25 N -2.76 2.81 -4.28 3.18 1.44 -1.26 -5.04 115.22 109.31 1b4c n HIS 25 Ca 0.14 -3.06 -0.18 0.00 -2.01 0.00 0.00 57.72 52.60 1b4c n HIS 25 Cb 0.60 -0.17 -0.13 0.00 0.12 0.00 0.00 29.99 30.41 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 -3.42 0.82 0.04 -1.40 1.02 -1.26 -4.62 119.74 110.92 1b4c s LYS 26 Ca 0.42 -0.72 0.08 0.00 0.02 0.00 0.00 55.97 55.77 1b4c s LYS 26 Cb 0.41 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.91 1b4c s LYS 26 CO -0.13 0.19 -0.23 -1.17 -0.92 0.00 0.00 175.35 173.09 1b4c s LEU 27 N -1.16 2.16 0.21 3.17 2.96 0.35 -4.92 118.68 121.45 1b4c s LEU 27 Ca -0.00 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 1b4c s LEU 27 Cb -0.08 -1.10 -0.05 0.00 0.50 0.00 0.00 46.19 45.45 1b4c s LEU 27 CO 0.01 0.21 0.46 -0.54 -1.32 0.00 0.00 176.35 175.16 1b4c s LYS 28 N -1.15 3.63 0.30 1.98 1.02 -1.26 0.19 119.74 124.45 1b4c s LYS 28 Ca 0.09 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.03 1b4c s LYS 28 Cb -0.09 -2.76 0.51 0.00 -0.52 0.00 0.00 37.83 34.97 1b4c s LYS 28 CO 0.02 0.36 1.91 1.57 -0.92 0.00 0.00 175.35 178.28 1b4c h LYS 29 N 2.30 1.02 -0.93 1.68 -0.00 -1.90 -0.63 116.57 118.11 1b4c h LYS 29 Ca -0.47 -0.06 0.01 0.00 -0.00 0.00 0.00 60.65 60.13 1b4c h LYS 29 Cb 1.18 -0.23 -0.05 0.00 -0.00 0.00 0.00 32.23 33.13 1b4c h LYS 29 CO 0.69 0.67 0.60 0.66 -0.00 0.00 0.00 179.45 182.08 1b4c h SER 30 N 1.05 1.07 0.68 7.07 4.64 -1.94 -0.20 113.55 125.93 1b4c h SER 30 Ca 0.39 -0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 61.43 1b4c h SER 30 Cb 0.19 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1b4c h SER 30 CO -0.15 0.79 -1.11 -0.33 -0.87 0.00 0.00 176.83 175.16 1b4c h GLU 31 N 1.26 0.21 -0.67 4.77 5.08 -1.80 -3.19 114.58 120.25 1b4c h GLU 31 Ca 0.34 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1b4c h GLU 31 Cb -0.13 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1b4c h GLU 31 CO -0.07 1.12 0.38 1.25 -1.00 0.00 0.00 179.01 180.69 1b4c h LEU 32 N 0.08 0.82 0.25 1.33 5.85 -0.70 -1.59 115.31 121.35 1b4c h LEU 32 Ca -0.09 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1b4c h LEU 32 Cb 1.82 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.60 1b4c h LEU 32 CO 0.17 0.67 -0.45 0.50 -0.34 0.00 0.00 178.44 178.99 1b4c h LYS 33 N 0.91 -0.74 -0.98 1.25 3.64 -1.03 0.50 116.57 120.13 1b4c h LYS 33 Ca 0.24 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.86 1b4c h LYS 33 Cb 0.01 0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 31.91 1b4c h LYS 33 CO -0.04 -0.49 0.61 0.93 -2.27 0.00 0.00 179.45 178.19 1b4c h GLU 34 N -0.77 0.66 -0.37 1.90 5.08 -1.53 0.16 114.58 119.71 1b4c h GLU 34 Ca -0.01 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1b4c h GLU 34 Cb 0.74 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1b4c h GLU 34 CO -0.18 0.43 -0.28 1.25 -1.00 0.00 0.00 179.01 179.23 1b4c h LEU 35 N 0.68 0.81 -1.62 1.33 5.85 0.03 -2.53 115.31 119.87 1b4c h LEU 35 Ca 0.54 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1b4c h LEU 35 Cb 0.96 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1b4c h LEU 35 CO -0.31 1.05 0.31 0.40 -0.34 0.00 0.00 178.44 179.55 1b4c h ILE 36 N 0.67 1.03 0.45 4.05 2.04 0.28 -2.25 117.51 123.79 1b4c h ILE 36 Ca 0.08 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1b4c h ILE 36 Cb 0.81 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1b4c h ILE 36 CO 0.07 0.09 -0.22 0.78 0.00 0.00 0.00 178.15 178.87 1b4c h ASN 37 N 0.50 -0.52 0.00 1.72 4.21 -0.96 0.23 115.58 120.77 1b4c h ASN 37 Ca 0.19 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1b4c h ASN 37 Cb 0.14 0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 1b4c h ASN 37 CO -0.05 -0.21 0.00 0.59 -1.29 0.00 0.00 177.43 176.47 1b4c n ASN 38 N -5.27 0.00 0.00 5.81 4.13 -1.12 -2.37 115.26 116.45 1b4c n ASN 38 Ca -0.11 -1.58 0.00 0.00 1.68 0.00 0.00 54.58 54.57 1b4c n ASN 38 Cb 0.30 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.54 1b4c n ASN 38 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1b4c n GLU 39 N -0.70 2.63 -0.35 3.52 1.02 -0.86 -4.75 120.64 121.14 1b4c n GLU 39 Ca 0.09 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.31 1b4c n GLU 39 Cb 0.04 -0.94 0.16 0.00 -0.02 0.00 0.00 31.44 30.68 1b4c n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1b4c n LEU 40 N -1.66 2.35 0.18 -4.62 4.77 0.81 -4.70 117.00 114.12 1b4c n LEU 40 Ca 0.00 -3.29 0.05 0.00 -0.03 0.00 0.00 56.01 52.74 1b4c n LEU 40 Cb 0.30 -0.44 0.30 0.00 -2.33 0.00 0.00 43.42 41.25 1b4c n LEU 40 CO 0.00 0.96 0.65 -1.28 -1.33 0.00 0.00 177.39 176.39 1b4c h SER 41 N 0.43 0.00 0.03 -1.43 0.87 -1.59 -2.91 113.55 108.96 1b4c h SER 41 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1b4c h SER 41 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1b4c h SER 41 CO 0.00 0.40 -0.01 -0.74 -0.53 0.00 0.00 176.83 175.95 1b4c h HIS 42 N 0.00 -0.04 0.00 2.24 -0.00 -1.87 -3.02 115.15 112.46 1b4c h HIS 42 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1b4c h HIS 42 Cb 0.96 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.38 1b4c h HIS 42 CO 0.00 0.58 0.00 0.74 -0.00 0.00 0.00 177.93 179.25 1b4c h PHE 43 N -0.70 0.00 -1.01 5.26 -1.00 -1.90 -2.67 116.94 114.92 1b4c h PHE 43 Ca -0.00 0.00 0.26 0.00 2.81 0.00 0.00 57.97 61.03 1b4c h PHE 43 Cb 0.63 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.11 1b4c h PHE 43 CO 0.14 0.00 0.67 1.25 -1.61 0.00 0.00 178.31 178.76 1b4c h LEU 44 N 0.00 0.37 -0.33 1.54 7.12 -1.37 0.17 115.31 122.81 1b4c h LEU 44 Ca 0.00 0.06 -0.19 0.00 0.13 0.00 0.00 57.88 57.88 1b4c h LEU 44 Cb 0.11 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 1b4c h LEU 44 CO 0.00 0.09 -0.67 -0.08 -0.13 0.00 0.00 178.44 177.66 1b4c h GLU 45 N 0.34 0.67 -2.73 1.25 4.81 -1.66 -3.29 114.58 113.97 1b4c h GLU 45 Ca 0.55 -0.49 -0.68 0.00 -0.13 0.00 0.00 59.36 58.61 1b4c h GLU 45 Cb 1.51 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.91 1b4c h GLU 45 CO -0.22 1.11 2.85 0.39 -0.73 0.00 0.00 179.01 182.41 1b4c n GLU 46 N -3.93 4.05 -3.98 1.92 1.02 0.60 -4.85 120.64 115.47 1b4c n GLU 46 Ca -0.05 -2.80 -0.31 0.00 -0.02 0.00 0.00 57.16 53.98 1b4c n GLU 46 Cb 0.68 -2.66 -0.15 0.00 -0.02 0.00 0.00 31.44 29.29 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 0.28 1.74 -0.16 -3.67 -1.09 -1.24 -4.67 121.20 112.38 1b4c s ILE 47 Ca 0.61 -1.40 -0.14 0.00 -2.23 0.00 0.00 60.65 57.50 1b4c s ILE 47 Cb 0.20 -1.98 -0.23 0.00 -1.58 0.00 0.00 42.46 38.87 1b4c s ILE 47 CO -0.08 -0.11 0.28 0.29 -1.23 0.00 0.00 174.94 174.09 1b4c n LYS 48 N 4.58 0.66 -2.82 2.79 4.76 -1.26 -4.72 118.16 122.16 1b4c n LYS 48 Ca -0.12 0.41 -0.43 0.00 -2.87 0.00 0.00 58.31 55.31 1b4c n LYS 48 Cb 0.43 -1.72 -0.04 0.00 -1.84 0.00 0.00 35.03 31.86 1b4c n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1b4c s GLU 49 N -2.46 3.25 0.30 1.97 8.01 -1.26 -4.86 118.70 123.65 1b4c s GLU 49 Ca -0.26 -0.43 0.17 0.00 0.01 0.00 0.00 54.97 54.46 1b4c s GLU 49 Cb 0.06 -4.11 0.10 0.00 -4.31 0.00 0.00 34.13 25.87 1b4c s GLU 49 CO 0.68 -1.63 1.44 1.96 0.01 0.00 0.00 175.26 177.71 1b4c h GLN 50 N 9.44 0.00 0.00 1.61 4.20 -1.94 -3.24 115.11 125.19 1b4c h GLN 50 Ca -0.27 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.40 1b4c h GLN 50 Cb 1.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 1b4c h GLN 50 CO 1.13 0.40 -0.21 0.93 -0.67 0.00 0.00 178.83 180.41 1b4c h GLU 51 N 0.00 0.00 -0.04 1.46 4.39 -1.99 -2.18 114.58 116.21 1b4c h GLU 51 Ca -0.01 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1b4c h GLU 51 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1b4c h GLU 51 CO 0.05 0.21 -0.15 0.28 -1.16 0.00 0.00 179.01 178.24 1b4c h VAL 52 N 0.00 1.46 -0.22 3.13 2.07 -1.94 -2.68 116.25 118.07 1b4c h VAL 52 Ca -0.00 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 65.91 1b4c h VAL 52 Cb 0.88 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1b4c h VAL 52 CO 0.03 0.43 -0.03 0.58 0.02 0.00 0.00 177.57 178.60 1b4c h VAL 53 N -0.37 1.16 -0.41 2.57 2.07 -1.65 -2.32 116.25 117.31 1b4c h VAL 53 Ca -0.01 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1b4c h VAL 53 Cb 0.78 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1b4c h VAL 53 CO 0.03 0.21 0.26 0.44 0.02 0.00 0.00 177.57 178.53 1b4c h ASP 54 N 0.32 0.44 0.63 0.57 3.32 -1.27 -1.76 116.42 118.66 1b4c h ASP 54 Ca 0.07 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1b4c h ASP 54 Cb 0.27 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1b4c h ASP 54 CO 0.01 0.32 -0.32 0.11 -1.72 0.00 0.00 179.24 177.64 1b4c h LYS 55 N 0.53 0.00 0.48 3.56 1.79 -1.09 -2.65 116.57 119.18 1b4c h LYS 55 Ca 0.16 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 1b4c h LYS 55 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1b4c h LYS 55 CO -0.05 0.32 -0.23 0.28 -1.08 0.00 0.00 179.45 178.69 1b4c h VAL 56 N 0.00 0.39 -0.28 0.50 2.07 -0.83 0.29 116.25 118.39 1b4c h VAL 56 Ca -0.00 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1b4c h VAL 56 Cb 0.72 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1b4c h VAL 56 CO 0.04 0.06 0.29 0.24 0.02 0.00 0.00 177.57 178.22 1b4c h MET 57 N -0.96 0.00 0.09 1.57 2.86 -1.29 0.49 114.93 117.69 1b4c h MET 57 Ca -0.07 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.27 1b4c h MET 57 Cb 0.59 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1b4c h MET 57 CO 0.11 0.00 -1.59 1.49 1.06 0.00 0.00 176.91 177.97 1b4c h GLU 58 N 0.00 0.20 -0.29 1.72 4.81 -1.20 -2.74 114.58 117.08 1b4c h GLU 58 Ca 0.13 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 1b4c h GLU 58 Cb 0.71 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1b4c h GLU 58 CO -0.00 1.02 -0.16 1.15 -0.73 0.00 0.00 179.01 180.28 1b4c h THR 59 N 0.05 1.30 0.69 0.32 2.02 0.14 -1.30 112.91 116.13 1b4c h THR 59 Ca -0.26 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.61 1b4c h THR 59 Cb 2.01 1.51 0.01 0.00 -1.74 0.00 0.00 68.15 69.93 1b4c h THR 59 CO 0.14 0.41 -0.33 -0.07 0.37 0.00 0.00 175.52 176.03 1b4c h LEU 60 N 0.36 -0.78 -1.65 2.58 3.38 -1.11 -0.03 115.31 118.05 1b4c h LEU 60 Ca 0.06 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1b4c h LEU 60 Cb 0.69 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1b4c h LEU 60 CO 0.05 -0.53 0.48 -0.78 0.09 0.00 0.00 178.44 177.74 1b4c h ASP 61 N -0.96 0.00 -1.13 -0.43 1.82 -1.45 0.28 116.42 114.55 1b4c h ASP 61 Ca -0.09 0.00 -0.68 0.00 -0.39 0.00 0.00 57.03 55.87 1b4c h ASP 61 Cb 0.72 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.42 1b4c h ASP 61 CO 0.15 0.00 0.71 -0.62 -1.61 0.00 0.00 179.24 177.88 1b4c n GLU 62 N -2.93 2.80 -0.50 0.28 1.02 -0.04 -4.71 120.64 116.56 1b4c n GLU 62 Ca 0.00 -3.43 0.42 0.00 -0.02 0.00 0.00 57.16 54.13 1b4c n GLU 62 Cb 0.54 -2.29 0.73 0.00 -0.02 0.00 0.00 31.44 30.40 1b4c n GLU 62 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1b4c h ASP 63 N 2.17 0.11 0.00 1.62 3.58 -0.34 -3.43 116.42 120.13 1b4c h ASP 63 Ca 0.58 0.05 0.00 0.00 0.42 0.00 0.00 57.03 58.07 1b4c h ASP 63 Cb 0.77 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1b4c h ASP 63 CO 1.48 -0.05 0.00 0.61 -2.88 0.00 0.00 179.24 178.40 1b4c n GLY 64 N -1.73 0.00 0.06 -0.78 0.00 -1.26 -4.43 105.19 97.04 1b4c n GLY 64 Ca 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.32 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 2.30 0.00 1.61 5.68 -1.26 -5.03 116.55 119.85 1b4c n ASP 65 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1b4c n ASP 65 Cb 0.00 0.61 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 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 2.38 2.64 3.10 6.12 0.00 -1.26 -5.02 105.19 113.15 1b4c n GLY 66 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.30 0.25 -0.20 1.61 2.02 -1.26 -4.89 118.70 115.92 1b4c s GLU 67 Ca 0.00 0.55 -0.07 0.00 0.02 0.00 0.00 54.97 55.47 1b4c s GLU 67 Cb 0.00 -0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.12 1b4c s GLU 67 CO 0.00 -0.15 0.05 0.00 0.02 0.00 0.00 175.26 175.19 1b4c n ASP 69 N 3.97 0.21 0.09 0.00 9.92 -1.26 0.13 116.55 129.60 1b4c n ASP 69 Ca -0.16 -1.30 -0.07 0.00 -0.53 0.00 0.00 54.79 52.72 1b4c n ASP 69 Cb 0.52 -0.41 0.04 0.00 -0.64 0.00 0.00 41.12 40.64 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 -1.09 0.28 -0.83 1.24 3.04 -1.94 -3.04 116.94 114.59 1b4c h PHE 70 Ca -0.18 -0.14 0.06 0.00 3.98 0.00 0.00 57.97 61.69 1b4c h PHE 70 Cb 0.53 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.95 1b4c h PHE 70 CO 0.00 0.89 0.54 1.96 -2.02 0.00 0.00 178.31 179.68 1b4c h GLN 71 N 0.13 0.92 0.00 1.11 4.20 -1.98 0.15 115.11 119.63 1b4c h GLN 71 Ca -0.03 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 1b4c h GLN 71 Cb 1.35 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1b4c h GLN 71 CO 0.12 0.61 -0.21 0.93 -0.67 0.00 0.00 178.83 179.60 1b4c h GLU 72 N 0.94 0.00 -0.18 1.46 4.39 -1.90 -2.71 114.58 116.58 1b4c h GLU 72 Ca 0.35 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.85 1b4c h GLU 72 Cb 0.18 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1b4c h GLU 72 CO -0.12 0.21 -0.68 0.35 -1.16 0.00 0.00 179.01 177.60 1b4c h PHE 73 N 0.00 1.03 0.21 4.33 3.04 -0.68 -2.21 116.94 122.66 1b4c h PHE 73 Ca -0.00 -0.43 -0.01 0.00 3.98 0.00 0.00 57.97 61.50 1b4c h PHE 73 Cb 0.74 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1b4c h PHE 73 CO 0.00 1.26 -0.10 1.98 -2.02 0.00 0.00 178.31 179.43 1b4c h MET 74 N 0.51 -0.27 -0.29 1.11 4.05 -1.19 -0.85 114.93 118.00 1b4c h MET 74 Ca -0.04 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.46 1b4c h MET 74 Cb 1.31 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 32.12 1b4c h MET 74 CO 0.14 0.11 -0.08 0.00 0.23 0.00 0.00 176.91 177.31 1b4c h ALA 75 N -0.15 0.18 -0.28 0.39 0.00 -1.57 0.56 119.26 118.38 1b4c h ALA 75 Ca -0.03 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1b4c h ALA 75 Cb 0.51 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1b4c h ALA 75 CO 0.05 -0.48 -0.13 0.74 0.00 0.00 0.00 179.25 179.43 1b4c h PHE 76 N -0.02 0.52 -0.33 0.00 0.04 -1.45 -2.32 116.94 113.38 1b4c h PHE 76 Ca 0.14 -0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 1b4c h PHE 76 Cb 0.23 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1b4c h PHE 76 CO -0.29 0.60 -0.20 0.28 -0.60 0.00 0.00 178.31 178.10 1b4c h VAL 77 N 0.45 1.26 0.03 -0.55 2.07 -0.12 -2.92 116.25 116.47 1b4c h VAL 77 Ca 0.08 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1b4c h VAL 77 Cb 0.50 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1b4c h VAL 77 CO 0.03 0.41 -0.01 0.77 0.02 0.00 0.00 177.57 178.79 1b4c h SER 78 N 0.56 -0.04 -0.99 0.57 4.64 -0.43 -2.40 113.55 115.46 1b4c h SER 78 Ca 0.09 -0.26 0.21 0.00 -0.47 0.00 0.00 61.79 61.35 1b4c h SER 78 Cb 0.66 0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 62.66 1b4c h SER 78 CO 0.05 0.24 0.62 0.24 -0.87 0.00 0.00 176.83 177.11 1b4c h MET 79 N -0.32 0.61 -0.21 4.77 2.07 -1.32 0.27 114.93 120.79 1b4c h MET 79 Ca -0.00 -0.04 -0.20 0.00 -2.07 0.00 0.00 59.70 57.39 1b4c h MET 79 Cb 0.30 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 29.89 1b4c h MET 79 CO 0.01 0.40 -0.64 0.28 1.07 0.00 0.00 176.91 178.03 1b4c h VAL 80 N 0.62 1.29 -0.23 -2.22 2.07 -1.34 0.26 116.25 116.70 1b4c h VAL 80 Ca 0.57 -1.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 1b4c h VAL 80 Cb 1.07 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1b4c h VAL 80 CO -0.34 0.59 -0.07 0.74 0.02 0.00 0.00 177.57 178.52 1b4c h THR 81 N 0.57 1.29 0.00 2.57 2.02 -0.50 -2.63 112.91 116.23 1b4c h THR 81 Ca -0.01 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1b4c h THR 81 Cb 1.25 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1b4c h THR 81 CO 0.13 0.33 0.00 0.71 0.37 0.00 0.00 175.52 177.07 1b4c h THR 82 N 0.17 0.00 -0.73 3.16 1.35 -0.56 -3.05 112.91 113.26 1b4c h THR 82 Ca 0.06 -0.52 0.19 0.00 -0.55 0.00 0.00 66.41 65.59 1b4c h THR 82 Cb 0.53 1.45 -0.04 0.00 -1.73 0.00 0.00 68.15 68.37 1b4c h THR 82 CO 0.02 0.00 0.51 0.00 -0.25 0.00 0.00 175.52 175.81 1b4c h ALA 83 N 2.13 2.53 -2.44 6.62 0.00 -0.09 -3.40 119.26 124.60 1b4c h ALA 83 Ca 0.00 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.41 1b4c h ALA 83 Cb 0.59 0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.45 1b4c h ALA 83 CO 0.00 -0.74 0.41 0.00 0.00 0.00 0.00 179.25 178.92 1b4c n HIS 85 N -1.06 -1.93 -1.48 0.00 1.44 -1.26 -4.42 115.22 106.51 1b4c n HIS 85 Ca 0.10 0.13 -0.43 0.00 -2.01 0.00 0.00 57.72 55.51 1b4c n HIS 85 Cb 0.52 -1.43 -0.12 0.00 0.12 0.00 0.00 29.99 29.07 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 -1.26 0.23 0.25 -1.40 1.02 -1.26 -4.71 120.64 113.51 1b4c n GLU 86 Ca 0.03 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.31 1b4c n GLU 86 Cb 0.46 -1.87 0.67 0.00 -0.02 0.00 0.00 31.44 30.68 1b4c n GLU 86 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1b4c h PHE 87 N 13.00 0.00 -0.88 -0.32 -5.15 -1.93 -2.56 116.94 119.10 1b4c h PHE 87 Ca -0.10 0.00 0.17 0.00 -0.20 0.00 0.00 57.97 57.84 1b4c h PHE 87 Cb 1.31 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 37.38 1b4c h PHE 87 CO 1.05 0.14 0.46 0.74 -2.00 0.00 0.00 178.31 178.70 1b4c h PHE 88 N 0.00 0.80 -1.35 6.09 0.04 -1.98 0.10 116.94 120.64 1b4c h PHE 88 Ca -0.00 0.04 -0.59 0.00 2.80 0.00 0.00 57.97 60.22 1b4c h PHE 88 Cb 0.43 -0.22 -0.21 0.00 2.20 0.00 0.00 35.95 38.15 1b4c h PHE 88 CO 0.00 0.15 0.63 -1.91 -0.60 0.00 0.00 178.31 176.58 1b4c n GLU 89 N -4.89 2.50 -1.55 1.51 2.13 -0.96 -4.90 120.64 114.47 1b4c n GLU 89 Ca 0.19 -2.73 -0.13 0.00 0.66 0.00 0.00 57.16 55.14 1b4c n GLU 89 Cb 0.50 -2.17 -0.11 0.00 0.27 0.00 0.00 31.44 29.93 1b4c n GLU 89 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1b4c n HIS 90 N 0.32 0.90 0.00 4.31 -0.00 0.35 -5.00 115.22 116.10 1b4c n HIS 90 Ca 0.50 -0.13 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 1b4c n HIS 90 Cb 0.45 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 1b4c n HIS 90 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73