#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 2.61 0.40 7.83 1.04 -1.26 -4.80 113.70 119.52 1b4c s SER 1 Ca 0.00 1.24 0.08 0.00 0.48 0.00 0.00 55.95 57.75 1b4c s SER 1 Cb 0.00 -1.91 0.85 0.00 0.10 0.00 0.00 66.02 65.06 1b4c s SER 1 CO 0.00 -3.14 2.01 -0.08 0.98 0.00 0.00 173.24 173.00 1b4c h GLU 2 N -1.90 0.58 0.26 4.02 4.81 -2.06 -2.53 114.58 117.76 1b4c h GLU 2 Ca -0.54 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.64 1b4c h GLU 2 Cb 1.32 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1b4c h GLU 2 CO 0.57 0.39 -0.12 1.25 -0.73 0.00 0.00 179.01 180.36 1b4c h LEU 3 N 0.60 -0.30 -0.55 1.64 6.46 -2.00 -2.70 115.31 118.46 1b4c h LEU 3 Ca 0.23 -0.05 0.10 0.00 -0.12 0.00 0.00 57.88 58.05 1b4c h LEU 3 Cb 0.17 0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 40.09 1b4c h LEU 3 CO -0.06 -0.14 0.07 -0.33 -0.62 0.00 0.00 178.44 177.36 1b4c h GLU 4 N -0.43 0.19 -0.92 1.25 5.08 -1.80 0.11 114.58 118.06 1b4c h GLU 4 Ca -0.04 -0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.53 1b4c h GLU 4 Cb 0.33 -0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.41 1b4c h GLU 4 CO 0.06 0.13 0.45 -0.22 -1.00 0.00 0.00 179.01 178.43 1b4c h LYS 5 N 0.20 0.46 0.00 2.33 1.63 -1.25 0.69 116.57 120.62 1b4c h LYS 5 Ca 0.29 -0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 59.87 1b4c h LYS 5 Cb 0.43 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 1b4c h LYS 5 CO -0.41 0.31 -0.90 0.00 -3.45 0.00 0.00 179.45 175.00 1b4c h ALA 6 N 1.70 0.46 -0.12 5.00 0.00 -0.56 -2.40 119.26 123.34 1b4c h ALA 6 Ca 0.57 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1b4c h ALA 6 Cb 1.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1b4c h ALA 6 CO -0.49 1.12 0.06 1.98 0.00 0.00 0.00 179.25 181.92 1b4c h MET 7 N 0.00 0.18 -0.31 0.00 1.85 0.10 -1.20 114.93 115.55 1b4c h MET 7 Ca -0.01 -0.02 -0.11 0.00 -0.61 0.00 0.00 59.70 58.94 1b4c h MET 7 Cb 1.64 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.63 1b4c h MET 7 CO 0.12 0.22 -0.28 0.28 -0.40 0.00 0.00 176.91 176.85 1b4c h VAL 8 N 0.08 1.28 -0.19 -5.77 2.07 -1.49 -3.00 116.25 109.24 1b4c h VAL 8 Ca 0.04 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 66.21 1b4c h VAL 8 Cb 0.10 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1b4c h VAL 8 CO -0.01 0.45 0.02 0.00 0.02 0.00 0.00 177.57 178.05 1b4c h ALA 9 N 1.15 0.18 -0.83 1.67 0.00 -1.04 -1.37 119.26 119.01 1b4c h ALA 9 Ca 0.07 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.23 1b4c h ALA 9 Cb 0.76 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.48 1b4c h ALA 9 CO 0.06 -0.41 0.20 -0.07 0.00 0.00 0.00 179.25 179.03 1b4c h LEU 10 N 0.09 -0.02 -0.68 0.00 3.38 -1.08 0.84 115.31 117.84 1b4c h LEU 10 Ca 0.09 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1b4c h LEU 10 Cb 0.09 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1b4c h LEU 10 CO -0.13 -0.12 0.37 0.40 0.09 0.00 0.00 178.44 179.05 1b4c h ILE 11 N 0.23 1.21 -0.44 1.22 1.08 -1.29 0.10 117.51 119.62 1b4c h ILE 11 Ca 0.50 -0.54 0.09 0.00 -0.39 0.00 0.00 64.86 64.52 1b4c h ILE 11 Cb 0.95 0.33 -0.09 0.00 -3.07 0.00 0.00 36.82 34.94 1b4c h ILE 11 CO -0.61 0.23 -0.21 -0.78 -0.69 0.00 0.00 178.15 176.09 1b4c h ASP 12 N 0.93 -0.72 0.02 1.72 1.82 0.16 -0.87 116.42 119.48 1b4c h ASP 12 Ca 0.24 0.17 -0.13 0.00 -0.39 0.00 0.00 57.03 56.91 1b4c h ASP 12 Cb 0.04 0.39 0.01 0.00 0.68 0.00 0.00 39.33 40.46 1b4c h ASP 12 CO -0.04 -0.24 -0.53 0.58 -1.61 0.00 0.00 179.24 177.40 1b4c h VAL 13 N -0.12 1.48 -0.84 2.25 2.07 -0.98 -2.41 116.25 117.69 1b4c h VAL 13 Ca 0.21 -2.13 0.21 0.00 0.82 0.00 0.00 66.70 65.82 1b4c h VAL 13 Cb 0.45 2.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.93 1b4c h VAL 13 CO -0.52 0.61 0.58 0.15 0.02 0.00 0.00 177.57 178.41 1b4c h PHE 14 N -0.27 0.29 0.03 1.57 3.57 -0.52 0.31 116.94 121.92 1b4c h PHE 14 Ca -0.07 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.21 1b4c h PHE 14 Cb 1.28 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1b4c h PHE 14 CO 0.17 0.08 -1.05 1.25 -2.23 0.00 0.00 178.31 176.52 1b4c h HIS 15 N 0.22 0.13 -0.64 0.41 2.76 -1.15 -3.14 115.15 113.74 1b4c h HIS 15 Ca 0.42 -0.10 0.09 0.00 -2.20 0.00 0.00 60.37 58.58 1b4c h HIS 15 Cb 1.31 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 30.20 1b4c h HIS 15 CO -0.00 1.07 0.28 0.37 -1.30 0.00 0.00 177.93 178.35 1b4c h GLN 16 N 0.02 0.49 -0.05 5.26 -0.00 0.14 0.23 115.11 121.21 1b4c h GLN 16 Ca -0.04 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.54 1b4c h GLN 16 Cb 1.81 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 29.18 1b4c h GLN 16 CO 0.15 0.32 -0.11 1.88 0.00 0.00 0.00 178.83 181.07 1b4c h TYR 17 N 0.50 0.20 -2.09 3.99 -1.99 -1.61 -3.31 116.97 112.66 1b4c h TYR 17 Ca 0.31 -0.08 -0.80 0.00 2.00 0.00 0.00 58.73 60.17 1b4c h TYR 17 Cb 0.34 -0.04 -0.25 0.00 2.00 0.00 0.00 36.73 38.78 1b4c h TYR 17 CO -0.13 0.72 1.24 -1.13 -0.00 0.00 0.00 178.16 178.85 1b4c n SER 18 N -4.66 7.47 -0.00 3.88 3.41 -0.92 -4.35 113.62 118.45 1b4c n SER 18 Ca -0.08 -3.61 0.01 0.00 -0.26 0.00 0.00 58.87 54.93 1b4c n SER 18 Cb 0.36 -1.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.10 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 0.19 0.52 0.22 5.00 0.00 0.03 -3.85 105.19 107.30 1b4c n GLY 19 Ca 0.49 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.50 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 0.02 0.00 1.61 0.11 -1.84 -3.41 114.38 110.87 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 0.06 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1b4c h ARG 20 CO 0.00 0.23 0.00 0.39 0.10 0.00 0.00 179.97 180.69 1b4c n GLU 21 N -4.28 0.00 -0.65 0.08 1.02 -1.26 -4.98 120.64 110.57 1b4c n GLU 21 Ca -0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.09 1b4c n GLU 21 Cb 0.27 -0.15 -0.01 0.00 -0.02 0.00 0.00 31.44 31.53 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 0.38 0.24 0.40 0.62 0.00 -1.25 -4.73 105.19 100.85 1b4c n GLY 22 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1b4c n GLY 22 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1b4c h ASP 23 N 0.00 -1.38 -3.25 1.61 1.82 -1.93 -3.40 116.42 109.89 1b4c h ASP 23 Ca -0.05 0.19 -0.48 0.00 -0.39 0.00 0.00 57.03 56.30 1b4c h ASP 23 Cb 0.41 0.57 0.03 0.00 0.68 0.00 0.00 39.33 41.02 1b4c h ASP 23 CO 0.08 -0.41 0.01 -1.59 -1.61 0.00 0.00 179.24 175.71 1b4c s LYS 24 N -5.86 3.39 -0.53 0.28 -2.85 -1.26 -5.00 119.74 107.90 1b4c s LYS 24 Ca -0.15 -0.07 0.03 0.00 -1.00 0.00 0.00 55.97 54.78 1b4c s LYS 24 Cb 0.10 -2.47 0.42 0.00 -2.06 0.00 0.00 37.83 33.82 1b4c s LYS 24 CO 0.64 -0.17 1.49 -2.39 0.10 0.00 0.00 175.35 175.02 1b4c n HIS 25 N -2.14 3.12 -4.15 1.78 1.44 -1.26 -4.99 115.22 109.02 1b4c n HIS 25 Ca -0.00 -2.70 -0.16 0.00 -2.01 0.00 0.00 57.72 52.85 1b4c n HIS 25 Cb 0.56 -0.62 -0.12 0.00 0.12 0.00 0.00 29.99 29.93 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 -3.73 0.69 0.02 -1.40 1.02 -1.26 -4.70 119.74 110.38 1b4c s LYS 26 Ca 0.52 -0.82 0.07 0.00 0.02 0.00 0.00 55.97 55.77 1b4c s LYS 26 Cb 0.43 -0.60 -0.02 0.00 -0.52 0.00 0.00 37.83 37.12 1b4c s LYS 26 CO -0.16 0.13 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.03 1b4c s LEU 27 N -1.53 2.11 0.32 3.17 2.96 0.85 -4.95 118.68 121.62 1b4c s LEU 27 Ca -0.05 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 1b4c s LEU 27 Cb -0.09 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 1b4c s LEU 27 CO 0.01 0.21 0.56 -0.75 -1.32 0.00 0.00 176.35 175.06 1b4c s LYS 28 N -0.88 3.58 0.24 1.98 2.20 -1.26 0.20 119.74 125.79 1b4c s LYS 28 Ca 0.08 -0.09 -0.07 0.00 -0.36 0.00 0.00 55.97 55.53 1b4c s LYS 28 Cb -0.08 -2.64 0.23 0.00 -1.51 0.00 0.00 37.83 33.83 1b4c s LYS 28 CO 0.01 0.17 1.88 1.57 -0.36 0.00 0.00 175.35 178.62 1b4c h LYS 29 N 1.30 1.29 -0.97 4.03 2.10 -1.89 -1.15 116.57 121.28 1b4c h LYS 29 Ca -0.48 -0.13 0.05 0.00 -2.00 0.00 0.00 60.65 58.10 1b4c h LYS 29 Cb 1.20 -0.26 -0.06 0.00 -0.90 0.00 0.00 32.23 32.20 1b4c h LYS 29 CO 0.64 0.91 0.63 0.77 -2.00 0.00 0.00 179.45 180.40 1b4c h SER 30 N 1.30 1.02 0.74 7.07 0.02 -1.94 0.52 113.55 122.28 1b4c h SER 30 Ca 0.34 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 61.03 1b4c h SER 30 Cb -0.03 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1b4c h SER 30 CO -0.06 0.67 -1.17 -0.33 -1.14 0.00 0.00 176.83 174.80 1b4c h GLU 31 N 1.17 0.19 -0.47 3.45 4.39 -1.88 -3.24 114.58 118.19 1b4c h GLU 31 Ca 0.41 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1b4c h GLU 31 Cb 0.10 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1b4c h GLU 31 CO -0.15 1.15 0.28 1.25 -1.16 0.00 0.00 179.01 180.38 1b4c h LEU 32 N 0.05 0.57 0.02 1.33 6.46 -0.54 -2.69 115.31 120.52 1b4c h LEU 32 Ca -0.10 -0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.63 1b4c h LEU 32 Cb 1.91 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 41.64 1b4c h LEU 32 CO 0.18 0.46 -0.39 0.11 -0.62 0.00 0.00 178.44 178.19 1b4c h LYS 33 N 0.63 -0.54 -1.09 1.25 1.57 -0.94 0.58 116.57 118.03 1b4c h LYS 33 Ca 0.17 0.04 0.29 0.00 -1.87 0.00 0.00 60.65 59.28 1b4c h LYS 33 Cb -0.00 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 32.34 1b4c h LYS 33 CO -0.03 -0.36 0.71 1.49 -0.57 0.00 0.00 179.45 180.69 1b4c h GLU 34 N -0.56 0.30 -0.57 3.15 4.57 -1.52 0.46 114.58 120.42 1b4c h GLU 34 Ca 0.05 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 1b4c h GLU 34 Cb 0.63 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1b4c h GLU 34 CO -0.29 0.20 -0.05 -0.07 -1.18 0.00 0.00 179.01 177.62 1b4c h LEU 35 N 0.31 1.02 -1.38 1.64 3.38 -0.59 -2.56 115.31 117.13 1b4c h LEU 35 Ca 0.62 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1b4c h LEU 35 Cb 1.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 1b4c h LEU 35 CO -0.28 1.09 0.26 0.40 0.09 0.00 0.00 178.44 180.01 1b4c h ILE 36 N 0.93 1.16 -0.17 1.22 2.04 0.56 0.76 117.51 124.01 1b4c h ILE 36 Ca 0.16 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 1b4c h ILE 36 Cb 0.60 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1b4c h ILE 36 CO 0.04 0.18 -0.23 -1.13 0.00 0.00 0.00 178.15 177.01 1b4c h ASN 37 N 0.70 0.30 0.00 1.72 -0.73 -1.00 -1.91 115.58 114.65 1b4c h ASN 37 Ca 0.18 -0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1b4c h ASN 37 Cb 0.03 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.54 1b4c h ASN 37 CO -0.03 0.54 -1.38 -3.20 -0.37 0.00 0.00 177.43 172.99 1b4c n ASN 38 N -4.17 1.93 -0.05 1.15 5.15 -0.93 -4.10 115.26 114.24 1b4c n ASN 38 Ca -0.01 -0.14 -0.06 0.00 -0.60 0.00 0.00 54.58 53.78 1b4c n ASN 38 Cb 0.36 1.46 -0.14 0.00 -0.53 0.00 0.00 39.78 40.92 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 -1.81 0.66 -0.74 1.20 -0.58 0.26 -4.31 120.64 115.33 1b4c n GLU 39 Ca -0.01 0.07 -0.01 0.00 -0.42 0.00 0.00 57.16 56.79 1b4c n GLU 39 Cb 0.29 -1.62 0.20 0.00 -0.57 0.00 0.00 31.44 29.74 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 -2.78 3.65 0.20 -4.62 4.32 -0.72 -4.66 117.00 112.38 1b4c n LEU 40 Ca -0.22 -3.82 0.07 0.00 -0.02 0.00 0.00 56.01 52.02 1b4c n LEU 40 Cb 1.02 -0.60 0.35 0.00 -1.62 0.00 0.00 43.42 42.56 1b4c n LEU 40 CO 0.44 1.31 0.71 -1.28 -1.22 0.00 0.00 177.39 177.34 1b4c h SER 41 N 1.00 0.00 -0.18 -1.43 0.87 -1.71 -2.83 113.55 109.27 1b4c h SER 41 Ca 0.15 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.52 1b4c h SER 41 Cb 1.44 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.40 1b4c h SER 41 CO 0.26 0.33 -0.62 0.45 -0.53 0.00 0.00 176.83 176.71 1b4c h HIS 42 N 0.00 0.98 0.00 2.24 3.86 -1.91 -2.97 115.15 117.35 1b4c h HIS 42 Ca -0.00 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 1b4c h HIS 42 Cb 0.89 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1b4c h HIS 42 CO 0.00 1.22 0.00 0.74 0.86 0.00 0.00 177.93 180.75 1b4c h PHE 43 N 0.46 0.00 -1.19 2.45 0.04 -1.90 -3.20 116.94 113.60 1b4c h PHE 43 Ca -0.03 0.00 0.34 0.00 2.80 0.00 0.00 57.97 61.09 1b4c h PHE 43 Cb 1.25 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.30 1b4c h PHE 43 CO 0.09 0.00 0.79 1.25 -0.60 0.00 0.00 178.31 179.84 1b4c h LEU 44 N 0.00 0.29 0.00 1.54 5.85 -1.33 0.44 115.31 122.10 1b4c h LEU 44 Ca 0.00 0.08 -0.23 0.00 0.84 0.00 0.00 57.88 58.57 1b4c h LEU 44 Cb 0.59 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1b4c h LEU 44 CO 0.00 -0.02 -1.19 -0.08 -0.34 0.00 0.00 178.44 176.82 1b4c h GLU 45 N 0.21 0.00 -2.57 1.25 4.57 -1.74 -3.37 114.58 112.93 1b4c h GLU 45 Ca 0.67 0.00 -0.76 0.00 -1.18 0.00 0.00 59.36 58.10 1b4c h GLU 45 Cb 2.06 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 30.49 1b4c h GLU 45 CO -0.27 0.86 2.13 0.39 -1.18 0.00 0.00 179.01 180.93 1b4c n GLU 46 N -3.27 4.74 -3.95 1.92 -0.58 0.15 -4.90 120.64 114.76 1b4c n GLU 46 Ca -0.05 -3.71 -0.29 0.00 -0.42 0.00 0.00 57.16 52.70 1b4c n GLU 46 Cb 0.97 -2.61 -0.16 0.00 -0.57 0.00 0.00 31.44 29.07 1b4c n GLU 46 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1b4c s ILE 47 N -1.75 1.37 -0.26 -3.67 1.01 -1.24 -4.48 121.20 112.18 1b4c s ILE 47 Ca 0.51 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 1b4c s ILE 47 Cb 0.18 -1.44 -0.14 0.00 0.01 0.00 0.00 42.46 41.07 1b4c s ILE 47 CO -0.10 0.24 -0.25 1.17 0.00 0.00 0.00 174.94 176.01 1b4c n LYS 48 N 4.80 0.61 -1.65 2.79 4.81 -1.26 -4.56 118.16 123.69 1b4c n LYS 48 Ca -0.14 0.26 -0.41 0.00 -0.87 0.00 0.00 58.31 57.15 1b4c n LYS 48 Cb 0.48 -1.53 -0.01 0.00 0.02 0.00 0.00 35.03 33.99 1b4c n LYS 48 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1b4c n GLU 49 N -3.97 3.47 -0.05 1.64 -0.58 -1.26 -4.72 120.64 115.18 1b4c n GLU 49 Ca -0.50 -2.63 0.23 0.00 -0.42 0.00 0.00 57.16 53.84 1b4c n GLU 49 Cb 0.91 -2.98 0.54 0.00 -0.57 0.00 0.00 31.44 29.34 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 5.41 0.00 0.00 3.49 -0.00 -1.97 1.25 115.11 123.29 1b4c h GLN 50 Ca 0.69 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 59.30 1b4c h GLN 50 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.93 1b4c h GLN 50 CO 1.78 0.00 -0.21 1.05 0.00 0.00 0.00 178.83 181.45 1b4c h GLU 51 N 0.00 0.00 -0.00 1.69 4.11 -1.99 -1.77 114.58 116.62 1b4c h GLU 51 Ca 0.33 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.73 1b4c h GLU 51 Cb 2.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1b4c h GLU 51 CO -0.00 0.21 -0.12 0.28 0.07 0.00 0.00 179.01 179.45 1b4c h VAL 52 N 0.00 1.58 -0.16 -1.06 2.07 0.12 -2.85 116.25 115.96 1b4c h VAL 52 Ca -0.00 -1.87 -0.05 0.00 0.82 0.00 0.00 66.70 65.60 1b4c h VAL 52 Cb 0.92 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 1b4c h VAL 52 CO 0.03 0.50 -0.12 0.58 0.02 0.00 0.00 177.57 178.58 1b4c h VAL 53 N -0.63 1.17 -0.50 2.57 2.07 -1.55 -2.57 116.25 116.80 1b4c h VAL 53 Ca -0.01 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1b4c h VAL 53 Cb 0.88 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1b4c h VAL 53 CO 0.02 0.24 0.33 -0.78 0.02 0.00 0.00 177.57 177.40 1b4c h ASP 54 N 0.23 0.58 0.49 0.57 3.58 -1.29 -1.91 116.42 118.68 1b4c h ASP 54 Ca 0.05 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 1b4c h ASP 54 Cb 0.36 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1b4c h ASP 54 CO 0.02 0.42 -0.23 0.11 -2.88 0.00 0.00 179.24 176.68 1b4c h LYS 55 N 0.68 0.00 0.51 0.28 1.57 -1.22 -2.87 116.57 115.53 1b4c h LYS 55 Ca 0.18 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1b4c h LYS 55 Cb -0.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.24 1b4c h LYS 55 CO -0.04 0.23 -0.25 0.28 -0.57 0.00 0.00 179.45 179.11 1b4c h VAL 56 N 0.00 0.42 -0.58 0.50 2.07 -1.17 0.49 116.25 117.98 1b4c h VAL 56 Ca -0.00 -0.32 0.17 0.00 0.82 0.00 0.00 66.70 67.37 1b4c h VAL 56 Cb 0.54 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1b4c h VAL 56 CO 0.03 0.05 0.48 0.24 0.02 0.00 0.00 177.57 178.38 1b4c h MET 57 N -0.91 0.00 0.09 1.57 2.86 -1.34 0.16 114.93 117.36 1b4c h MET 57 Ca -0.07 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.27 1b4c h MET 57 Cb 0.61 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1b4c h MET 57 CO 0.12 0.00 -1.59 0.93 1.06 0.00 0.00 176.91 177.43 1b4c h GLU 58 N 0.00 0.18 -0.35 1.72 5.08 -1.23 -2.71 114.58 117.28 1b4c h GLU 58 Ca 0.28 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1b4c h GLU 58 Cb 1.22 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1b4c h GLU 58 CO -0.00 0.99 -0.26 1.15 -1.00 0.00 0.00 179.01 179.89 1b4c h THR 59 N 0.05 1.29 0.60 1.13 2.02 0.22 -1.22 112.91 117.00 1b4c h THR 59 Ca -0.26 -1.41 -0.03 0.00 0.77 0.00 0.00 66.41 65.48 1b4c h THR 59 Cb 2.00 1.43 0.01 0.00 -1.74 0.00 0.00 68.15 69.84 1b4c h THR 59 CO 0.13 0.46 -0.29 -0.07 0.37 0.00 0.00 175.52 176.13 1b4c h LEU 60 N 0.57 -0.68 -1.64 2.58 3.38 -0.92 -1.10 115.31 117.49 1b4c h LEU 60 Ca 0.07 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1b4c h LEU 60 Cb 0.83 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1b4c h LEU 60 CO 0.07 -0.39 0.51 -0.78 0.09 0.00 0.00 178.44 177.94 1b4c h ASP 61 N -0.96 0.00 -1.08 -0.43 3.58 -1.45 0.41 116.42 116.49 1b4c h ASP 61 Ca -0.08 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.70 1b4c h ASP 61 Cb 0.67 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.40 1b4c h ASP 61 CO 0.14 0.00 0.56 -0.62 -2.88 0.00 0.00 179.24 176.43 1b4c n GLU 62 N -3.05 2.88 -0.36 0.28 -0.58 -0.43 -4.74 120.64 114.65 1b4c n GLU 62 Ca 0.02 -3.50 0.28 0.00 -0.42 0.00 0.00 57.16 53.53 1b4c n GLU 62 Cb 0.60 -2.28 0.53 0.00 -0.57 0.00 0.00 31.44 29.71 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 2.16 0.43 0.00 1.62 3.58 -0.01 -3.43 116.42 120.77 1b4c h ASP 63 Ca 0.55 0.18 0.00 0.00 0.42 0.00 0.00 57.03 58.18 1b4c h ASP 63 Cb 0.85 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1b4c h ASP 63 CO 1.41 -0.16 0.00 0.61 -2.88 0.00 0.00 179.24 178.23 1b4c n GLY 64 N -1.36 0.00 0.08 -0.78 0.00 -1.26 -4.53 105.19 97.34 1b4c n GLY 64 Ca 0.33 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.41 1b4c n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4c n ASP 65 N 0.00 0.84 0.00 1.61 9.92 -1.26 -4.99 116.55 122.67 1b4c n ASP 65 Ca 0.00 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 1b4c n ASP 65 Cb 0.00 0.87 0.00 0.00 -0.64 0.00 0.00 41.12 41.35 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b4c n GLY 66 N 1.25 2.47 3.10 0.44 0.00 -1.26 -4.88 105.19 106.30 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 0.00 0.25 -0.21 1.61 0.41 -1.26 -4.84 118.70 114.66 1b4c s GLU 67 Ca 0.00 0.54 -0.08 0.00 -0.41 0.00 0.00 54.97 55.02 1b4c s GLU 67 Cb 0.00 -0.07 -0.04 0.00 -1.78 0.00 0.00 34.13 32.25 1b4c s GLU 67 CO 0.00 -0.14 0.08 0.00 -0.49 0.00 0.00 175.26 174.70 1b4c n ASP 69 N 4.03 0.14 0.14 0.00 2.03 -1.26 -0.10 116.55 121.53 1b4c n ASP 69 Ca -0.16 -1.25 0.01 0.00 0.52 0.00 0.00 54.79 53.91 1b4c n ASP 69 Cb 0.52 -0.38 0.17 0.00 -0.72 0.00 0.00 41.12 40.71 1b4c n ASP 69 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1b4c h PHE 70 N -1.14 0.00 -0.34 -0.67 3.04 -1.95 -3.00 116.94 112.88 1b4c h PHE 70 Ca -0.17 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.73 1b4c h PHE 70 Cb 0.48 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 1b4c h PHE 70 CO 0.00 0.57 -0.01 1.96 -2.02 0.00 0.00 178.31 178.81 1b4c h GLN 71 N 0.00 0.54 0.00 1.11 4.20 -1.99 -1.73 115.11 117.24 1b4c h GLN 71 Ca -0.01 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1b4c h GLN 71 Cb 1.17 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1b4c h GLN 71 CO 0.07 0.58 -0.21 0.93 -0.67 0.00 0.00 178.83 179.53 1b4c h GLU 72 N 0.52 0.00 -0.16 1.46 4.39 -1.89 -2.95 114.58 115.95 1b4c h GLU 72 Ca 0.11 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.59 1b4c h GLU 72 Cb 0.35 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1b4c h GLU 72 CO 0.01 0.21 -0.77 0.35 -1.16 0.00 0.00 179.01 177.65 1b4c h PHE 73 N 0.00 1.07 0.21 4.33 3.57 -1.31 -2.24 116.94 122.56 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 0.81 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1b4c h PHE 73 CO 0.00 1.30 -0.10 0.52 -2.23 0.00 0.00 178.31 177.80 1b4c h MET 74 N 0.55 -0.27 -0.06 1.11 2.86 -1.41 -0.83 114.93 116.89 1b4c h MET 74 Ca -0.05 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1b4c h MET 74 Cb 1.40 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 33.08 1b4c h MET 74 CO 0.16 0.11 -0.18 0.00 1.06 0.00 0.00 176.91 178.06 1b4c h ALA 75 N -0.12 -0.18 -0.36 6.32 0.00 -1.61 0.44 119.26 123.75 1b4c h ALA 75 Ca -0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1b4c h ALA 75 Cb 0.50 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1b4c h ALA 75 CO 0.05 -0.66 0.08 0.74 0.00 0.00 0.00 179.25 179.46 1b4c h PHE 76 N -0.26 0.53 -0.19 0.00 0.04 -1.47 -1.46 116.94 114.13 1b4c h PHE 76 Ca 0.07 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 1b4c h PHE 76 Cb 0.37 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1b4c h PHE 76 CO -0.26 0.47 -0.22 0.28 -0.60 0.00 0.00 178.31 177.97 1b4c h VAL 77 N 0.51 1.24 0.03 -0.55 2.07 -0.15 -3.04 116.25 116.36 1b4c h VAL 77 Ca 0.12 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1b4c h VAL 77 Cb 0.21 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1b4c h VAL 77 CO -0.00 0.35 -0.01 -1.28 0.02 0.00 0.00 177.57 176.64 1b4c h SER 78 N 0.30 -0.03 -0.99 0.57 0.87 0.11 -2.49 113.55 111.89 1b4c h SER 78 Ca 0.05 -0.46 0.21 0.00 -1.23 0.00 0.00 61.79 60.36 1b4c h SER 78 Cb 0.57 0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 62.44 1b4c h SER 78 CO 0.04 0.45 0.62 0.24 -0.53 0.00 0.00 176.83 177.65 1b4c h MET 79 N -0.53 0.59 -0.03 2.24 2.07 -1.36 1.16 114.93 119.07 1b4c h MET 79 Ca -0.00 -0.04 -0.05 0.00 -2.07 0.00 0.00 59.70 57.54 1b4c h MET 79 Cb 0.49 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 1b4c h MET 79 CO 0.01 0.39 -0.19 0.28 1.07 0.00 0.00 176.91 178.46 1b4c h VAL 80 N 0.60 1.48 -0.50 -2.22 2.07 -1.51 -0.89 116.25 115.30 1b4c h VAL 80 Ca 0.57 -1.70 -0.13 0.00 0.82 0.00 0.00 66.70 66.26 1b4c h VAL 80 Cb 1.11 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 1b4c h VAL 80 CO -0.33 0.47 -0.18 0.71 0.02 0.00 0.00 177.57 178.26 1b4c h THR 81 N -0.39 1.27 0.00 2.57 1.35 -0.82 -2.55 112.91 114.34 1b4c h THR 81 Ca -0.01 -1.34 -0.03 0.00 -0.55 0.00 0.00 66.41 64.48 1b4c h THR 81 Cb 0.87 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1b4c h THR 81 CO 0.04 0.47 -0.13 0.71 -0.25 0.00 0.00 175.52 176.35 1b4c h THR 82 N 0.86 0.34 -0.19 6.82 1.35 0.13 -2.70 112.91 119.51 1b4c h THR 82 Ca 0.12 -0.88 -0.02 0.00 -0.55 0.00 0.00 66.41 65.09 1b4c h THR 82 Cb 0.75 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1b4c h THR 82 CO 0.06 0.13 0.05 0.00 -0.25 0.00 0.00 175.52 175.51 1b4c h ALA 83 N 1.87 1.73 -0.74 6.62 0.00 -0.71 -3.32 119.26 124.70 1b4c h ALA 83 Ca -0.00 -0.08 -0.52 0.00 0.00 0.00 0.00 54.91 54.30 1b4c h ALA 83 Cb 0.66 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1b4c h ALA 83 CO 0.02 0.22 1.63 0.00 0.00 0.00 0.00 179.25 181.11 1b4c h HIS 85 N 8.85 0.00 -0.10 0.00 -0.00 -1.85 0.86 115.15 122.91 1b4c h HIS 85 Ca 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.68 1b4c h HIS 85 Cb 0.92 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.33 1b4c h HIS 85 CO 1.32 0.00 0.00 -0.85 -0.00 0.00 0.00 177.93 178.41 1b4c n GLU 86 N -2.56 1.63 0.12 2.45 0.28 -1.26 -4.08 120.64 117.20 1b4c n GLU 86 Ca -0.01 -0.52 0.07 0.00 -0.16 0.00 0.00 57.16 56.54 1b4c n GLU 86 Cb 0.64 -1.61 0.54 0.00 1.43 0.00 0.00 31.44 32.44 1b4c n GLU 86 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1b4c h PHE 87 N 0.64 0.25 0.03 -1.84 -0.00 0.45 -2.30 116.94 114.17 1b4c h PHE 87 Ca 0.00 0.01 -0.35 0.00 -0.00 0.00 0.00 57.97 57.63 1b4c h PHE 87 Cb 0.77 -0.08 -0.05 0.00 -0.00 0.00 0.00 35.95 36.58 1b4c h PHE 87 CO 0.18 0.15 -2.09 1.19 -0.00 0.00 0.00 178.31 177.75 1b4c n PHE 88 N -4.50 0.66 -2.72 6.09 3.01 -1.26 -4.47 117.46 114.27 1b4c n PHE 88 Ca 0.01 0.19 -0.42 0.00 1.01 0.00 0.00 57.45 58.23 1b4c n PHE 88 Cb 0.12 -1.10 0.01 0.00 -0.01 0.00 0.00 39.48 38.49 1b4c n PHE 88 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1b4c n GLU 89 N -3.14 4.37 -1.73 -1.08 2.13 -0.89 -5.01 120.64 115.29 1b4c n GLU 89 Ca -0.30 -4.23 -0.42 0.00 0.66 0.00 0.00 57.16 52.87 1b4c n GLU 89 Cb 1.06 -2.62 -0.02 0.00 0.27 0.00 0.00 31.44 30.13 1b4c n GLU 89 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1b4c n HIS 90 N 1.87 2.72 0.79 4.31 8.25 -1.10 -4.75 115.22 127.31 1b4c n HIS 90 Ca 0.34 0.26 0.06 0.00 -0.26 0.00 0.00 57.72 58.13 1b4c n HIS 90 Cb 0.33 -2.58 0.38 0.00 1.12 0.00 0.00 29.99 29.23 1b4c n HIS 90 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07