#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 3.88 0.29 7.83 1.04 -1.26 -4.84 113.70 120.65 1b4c s SER 1 Ca 0.00 1.01 -0.01 0.00 0.48 0.00 0.00 55.95 57.43 1b4c s SER 1 Cb 0.00 -1.62 0.44 0.00 0.10 0.00 0.00 66.02 64.94 1b4c s SER 1 CO 0.00 -2.32 1.90 -0.33 0.98 0.00 0.00 173.24 173.47 1b4c h GLU 2 N -1.34 0.94 -0.00 4.02 5.08 -2.06 -2.15 114.58 119.06 1b4c h GLU 2 Ca -0.49 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1b4c h GLU 2 Cb 1.32 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1b4c h GLU 2 CO 0.62 0.72 0.00 1.25 -1.00 0.00 0.00 179.01 180.60 1b4c h LEU 3 N 0.94 0.01 -0.64 1.33 6.46 -2.00 -2.81 115.31 118.60 1b4c h LEU 3 Ca 0.23 -0.23 0.13 0.00 -0.12 0.00 0.00 57.88 57.89 1b4c h LEU 3 Cb 0.09 -0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 39.92 1b4c h LEU 3 CO -0.03 0.24 0.13 -0.08 -0.62 0.00 0.00 178.44 178.08 1b4c h GLU 4 N -0.22 0.25 -0.94 1.25 4.81 -1.84 0.22 114.58 118.10 1b4c h GLU 4 Ca 0.00 -0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.42 1b4c h GLU 4 Cb 0.23 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.44 1b4c h GLU 4 CO 0.00 0.16 0.51 -0.22 -0.73 0.00 0.00 179.01 178.74 1b4c h LYS 5 N 0.25 0.58 0.00 1.92 3.64 -1.15 0.48 116.57 122.30 1b4c h LYS 5 Ca 0.34 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.52 1b4c h LYS 5 Cb 0.53 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1b4c h LYS 5 CO -0.44 0.39 -0.79 0.00 -2.27 0.00 0.00 179.45 176.34 1b4c h ALA 6 N 1.66 0.64 -0.05 5.00 0.00 -0.42 -1.72 119.26 124.37 1b4c h ALA 6 Ca 0.56 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1b4c h ALA 6 Cb 0.95 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1b4c h ALA 6 CO -0.43 0.99 0.02 0.52 0.00 0.00 0.00 179.25 180.34 1b4c h MET 7 N 0.00 0.08 -0.35 0.00 2.86 0.59 -0.34 114.93 117.77 1b4c h MET 7 Ca -0.01 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1b4c h MET 7 Cb 1.45 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.08 1b4c h MET 7 CO 0.10 0.25 -0.24 0.28 1.06 0.00 0.00 176.91 178.36 1b4c h VAL 8 N -0.11 1.27 -0.23 -2.22 2.07 -1.45 -2.93 116.25 112.66 1b4c h VAL 8 Ca 0.02 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.22 1b4c h VAL 8 Cb 0.20 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1b4c h VAL 8 CO -0.00 0.44 0.09 0.00 0.02 0.00 0.00 177.57 178.12 1b4c h ALA 9 N 1.13 0.26 -0.94 1.67 0.00 -1.02 -1.45 119.26 118.90 1b4c h ALA 9 Ca 0.08 0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.29 1b4c h ALA 9 Cb 0.73 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 1b4c h ALA 9 CO 0.06 -0.32 0.38 -0.07 0.00 0.00 0.00 179.25 179.30 1b4c h LEU 10 N 0.21 0.23 -0.71 0.00 3.38 -0.87 1.57 115.31 119.12 1b4c h LEU 10 Ca 0.10 0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 1b4c h LEU 10 Cb 0.05 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1b4c h LEU 10 CO -0.09 -0.15 0.09 0.40 0.09 0.00 0.00 178.44 178.79 1b4c h ILE 11 N 0.26 1.26 -0.25 1.22 2.04 -1.30 0.15 117.51 120.89 1b4c h ILE 11 Ca 0.64 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 65.51 1b4c h ILE 11 Cb 1.37 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 1b4c h ILE 11 CO -0.64 0.39 -0.27 -0.78 0.00 0.00 0.00 178.15 176.86 1b4c h ASP 12 N 1.01 -0.85 -0.01 1.72 3.58 0.28 0.05 116.42 122.20 1b4c h ASP 12 Ca 0.20 0.15 -0.09 0.00 0.42 0.00 0.00 57.03 57.71 1b4c h ASP 12 Cb 0.45 0.40 0.01 0.00 1.72 0.00 0.00 39.33 41.91 1b4c h ASP 12 CO 0.02 -0.30 -0.33 0.58 -2.88 0.00 0.00 179.24 176.33 1b4c h VAL 13 N -0.27 1.51 -0.82 2.25 2.07 -1.13 -1.74 116.25 118.11 1b4c h VAL 13 Ca 0.14 -1.96 0.17 0.00 0.82 0.00 0.00 66.70 65.87 1b4c h VAL 13 Cb 0.49 2.70 -0.06 0.00 -1.52 0.00 0.00 31.29 32.90 1b4c h VAL 13 CO -0.41 0.54 0.55 0.15 0.02 0.00 0.00 177.57 178.43 1b4c h PHE 14 N -0.39 0.52 0.00 1.57 3.04 -0.53 0.41 116.94 121.55 1b4c h PHE 14 Ca -0.04 0.02 -0.22 0.00 3.98 0.00 0.00 57.97 61.71 1b4c h PHE 14 Cb 1.07 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.38 1b4c h PHE 14 CO 0.17 0.17 -1.10 1.25 -2.02 0.00 0.00 178.31 176.78 1b4c h HIS 15 N 0.42 0.00 -0.69 0.41 2.76 -0.99 -3.17 115.15 113.89 1b4c h HIS 15 Ca 0.42 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.70 1b4c h HIS 15 Cb 0.98 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.86 1b4c h HIS 15 CO -0.00 0.96 0.29 0.37 -1.30 0.00 0.00 177.93 178.26 1b4c h GLN 16 N 0.00 0.47 -0.09 5.26 4.15 0.04 -1.40 115.11 123.53 1b4c h GLN 16 Ca -0.06 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.14 1b4c h GLN 16 Cb 1.79 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 29.38 1b4c h GLN 16 CO 0.12 0.31 -0.68 1.88 -1.93 0.00 0.00 178.83 178.52 1b4c h TYR 17 N 0.48 0.87 -1.99 3.99 -1.99 -1.63 -3.32 116.97 113.38 1b4c h TYR 17 Ca 0.36 -0.41 -0.79 0.00 2.00 0.00 0.00 58.73 59.89 1b4c h TYR 17 Cb 0.46 -0.13 -0.23 0.00 2.00 0.00 0.00 36.73 38.84 1b4c h TYR 17 CO -0.15 1.22 1.40 -1.13 -0.00 0.00 0.00 178.16 179.50 1b4c n SER 18 N -4.08 7.45 -0.00 3.88 3.41 -0.62 -4.34 113.62 119.32 1b4c n SER 18 Ca -0.09 -3.52 0.00 0.00 -0.26 0.00 0.00 58.87 55.01 1b4c n SER 18 Cb 0.70 -1.23 -0.00 0.00 -0.26 0.00 0.00 64.21 63.41 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 0.54 0.75 0.22 5.00 0.00 -0.66 -4.01 105.19 107.03 1b4c n GLY 19 Ca 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1b4c n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b4c h ARG 20 N 0.01 0.25 0.00 1.61 2.47 -1.86 -3.42 114.38 113.45 1b4c h ARG 20 Ca 0.00 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1b4c h ARG 20 Cb 0.02 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1b4c h ARG 20 CO 0.00 0.50 0.00 0.39 0.56 0.00 0.00 179.97 181.42 1b4c n GLU 21 N -4.16 0.00 -0.69 0.04 4.71 -1.26 -4.98 120.64 114.30 1b4c n GLU 21 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.11 1b4c n GLU 21 Cb 0.37 -0.20 -0.01 0.00 -1.01 0.00 0.00 31.44 30.59 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 0.36 0.27 0.40 0.62 0.00 -1.26 -4.75 105.19 100.83 1b4c n GLY 22 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.45 -3.19 1.61 3.58 -1.93 -3.41 116.42 111.62 1b4c h ASP 23 Ca -0.06 0.17 -0.45 0.00 0.42 0.00 0.00 57.03 57.11 1b4c h ASP 23 Cb 0.48 0.56 0.06 0.00 1.72 0.00 0.00 39.33 42.15 1b4c h ASP 23 CO 0.08 -0.43 0.09 -0.54 -2.88 0.00 0.00 179.24 175.57 1b4c s LYS 24 N -5.32 2.54 -0.49 0.28 1.02 -1.26 -5.01 119.74 111.51 1b4c s LYS 24 Ca -0.13 -0.42 0.04 0.00 0.02 0.00 0.00 55.97 55.48 1b4c s LYS 24 Cb 0.06 -2.34 0.41 0.00 -0.52 0.00 0.00 37.83 35.44 1b4c s LYS 24 CO 0.52 -0.85 1.28 -2.39 -0.92 0.00 0.00 175.35 172.99 1b4c n HIS 25 N -2.56 3.27 -4.21 3.18 1.44 -1.26 -5.01 115.22 110.07 1b4c n HIS 25 Ca 0.07 -2.90 -0.19 0.00 -2.01 0.00 0.00 57.72 52.69 1b4c n HIS 25 Cb 0.59 -0.31 -0.12 0.00 0.12 0.00 0.00 29.99 30.27 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 -3.63 0.84 0.02 -1.40 1.02 -1.26 -4.55 119.74 110.77 1b4c s LYS 26 Ca 0.49 -0.90 0.07 0.00 0.02 0.00 0.00 55.97 55.65 1b4c s LYS 26 Cb 0.41 -0.84 -0.02 0.00 -0.52 0.00 0.00 37.83 36.85 1b4c s LYS 26 CO -0.19 0.19 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.05 1b4c s LEU 27 N -1.58 2.11 0.24 3.17 2.96 0.51 -4.92 118.68 121.17 1b4c s LEU 27 Ca -0.01 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1b4c s LEU 27 Cb -0.09 -1.00 -0.05 0.00 0.50 0.00 0.00 46.19 45.54 1b4c s LEU 27 CO 0.02 0.20 0.48 -0.54 -1.32 0.00 0.00 176.35 175.19 1b4c s LYS 28 N -0.88 3.62 0.28 1.98 1.02 -1.26 0.16 119.74 124.65 1b4c s LYS 28 Ca 0.08 -0.07 -0.01 0.00 0.02 0.00 0.00 55.97 55.99 1b4c s LYS 28 Cb -0.08 -2.73 0.46 0.00 -0.52 0.00 0.00 37.83 34.96 1b4c s LYS 28 CO 0.01 0.31 1.90 1.57 -0.92 0.00 0.00 175.35 178.22 1b4c h LYS 29 N 2.03 1.08 -0.96 1.68 -0.00 -1.90 -1.77 116.57 116.73 1b4c h LYS 29 Ca -0.47 -0.06 0.01 0.00 -0.00 0.00 0.00 60.65 60.12 1b4c h LYS 29 Cb 1.18 -0.24 -0.05 0.00 -0.00 0.00 0.00 32.23 33.12 1b4c h LYS 29 CO 0.68 0.71 0.62 0.77 -0.00 0.00 0.00 179.45 182.23 1b4c h SER 30 N 1.11 1.12 0.35 7.07 0.02 -1.94 -0.70 113.55 120.59 1b4c h SER 30 Ca 0.41 -0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 61.14 1b4c h SER 30 Cb 0.18 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1b4c h SER 30 CO -0.16 0.82 -0.74 -0.33 -1.14 0.00 0.00 176.83 175.29 1b4c h GLU 31 N 1.31 0.32 -0.43 3.45 4.39 -1.78 -3.15 114.58 118.68 1b4c h GLU 31 Ca 0.35 -0.27 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1b4c h GLU 31 Cb -0.12 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1b4c h GLU 31 CO -0.07 0.92 0.03 1.25 -1.16 0.00 0.00 179.01 179.98 1b4c h LEU 32 N 0.22 0.73 -0.02 1.33 5.85 -0.80 -2.90 115.31 119.71 1b4c h LEU 32 Ca -0.03 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.43 1b4c h LEU 32 Cb 1.31 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 1b4c h LEU 32 CO 0.12 0.84 -0.44 0.50 -0.34 0.00 0.00 178.44 179.12 1b4c h LYS 33 N 0.59 -0.56 -1.00 1.25 3.64 -1.10 0.20 116.57 119.59 1b4c h LYS 33 Ca 0.13 0.04 0.24 0.00 -1.27 0.00 0.00 60.65 59.79 1b4c h LYS 33 Cb 0.45 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.31 1b4c h LYS 33 CO 0.02 -0.37 0.65 1.49 -2.27 0.00 0.00 179.45 178.96 1b4c h GLU 34 N -0.58 0.42 -0.18 1.90 4.22 -1.57 0.43 114.58 119.21 1b4c h GLU 34 Ca 0.05 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 1b4c h GLU 34 Cb 0.66 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1b4c h GLU 34 CO -0.33 0.27 -0.06 -0.07 -2.18 0.00 0.00 179.01 176.65 1b4c h LEU 35 N 0.43 0.36 -1.36 1.64 3.38 -0.49 -2.76 115.31 116.51 1b4c h LEU 35 Ca 0.56 -0.38 0.15 0.00 0.09 0.00 0.00 57.88 58.30 1b4c h LEU 35 Cb 1.37 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 1b4c h LEU 35 CO -0.27 0.66 0.57 0.40 0.09 0.00 0.00 178.44 179.89 1b4c h ILE 36 N 0.06 0.80 -0.62 1.22 2.04 0.82 0.99 117.51 122.82 1b4c h ILE 36 Ca 0.04 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1b4c h ILE 36 Cb 0.51 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1b4c h ILE 36 CO 0.02 0.11 0.23 -1.13 0.00 0.00 0.00 178.15 177.38 1b4c h ASN 37 N 0.60 0.87 0.15 1.72 -0.73 -1.10 -0.62 115.58 116.48 1b4c h ASN 37 Ca 0.44 -0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1b4c h ASN 37 Cb 0.81 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.18 1b4c h ASN 37 CO -0.19 0.81 -1.72 -3.20 -0.37 0.00 0.00 177.43 172.76 1b4c n ASN 38 N -4.43 0.24 -0.04 1.15 2.85 -0.57 -3.46 115.26 111.00 1b4c n ASN 38 Ca 0.04 -0.07 -0.08 0.00 -0.11 0.00 0.00 54.58 54.36 1b4c n ASN 38 Cb 0.18 1.64 -0.14 0.00 1.24 0.00 0.00 39.78 42.70 1b4c n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1b4c n GLU 39 N -2.22 0.65 -0.69 1.20 -0.58 0.33 -4.26 120.64 115.07 1b4c n GLU 39 Ca -0.02 0.19 0.02 0.00 -0.42 0.00 0.00 57.16 56.93 1b4c n GLU 39 Cb 0.54 -1.71 0.20 0.00 -0.57 0.00 0.00 31.44 29.90 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 -2.93 3.19 0.19 -4.62 4.32 -0.24 -4.70 117.00 112.21 1b4c n LEU 40 Ca -0.21 -3.89 0.04 0.00 -0.02 0.00 0.00 56.01 51.93 1b4c n LEU 40 Cb 1.06 -0.56 0.38 0.00 -1.62 0.00 0.00 43.42 42.67 1b4c n LEU 40 CO 0.44 1.38 0.72 0.77 -1.22 0.00 0.00 177.39 179.48 1b4c h SER 41 N 1.02 0.00 0.02 -1.43 4.64 -1.63 -2.09 113.55 114.09 1b4c h SER 41 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1b4c h SER 41 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1b4c h SER 41 CO 0.13 0.37 -0.01 -0.74 -0.87 0.00 0.00 176.83 175.71 1b4c h HIS 42 N 0.00 -0.03 0.00 4.77 -0.00 -1.89 -3.18 115.15 114.81 1b4c h HIS 42 Ca -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 1b4c h HIS 42 Cb 0.72 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1b4c h HIS 42 CO 0.00 0.63 -0.05 0.74 -0.00 0.00 0.00 177.93 179.25 1b4c h PHE 43 N -0.74 0.00 -1.30 5.26 0.04 -1.90 -2.10 116.94 116.20 1b4c h PHE 43 Ca -0.00 0.00 0.38 0.00 2.80 0.00 0.00 57.97 61.14 1b4c h PHE 43 Cb 0.68 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.77 1b4c h PHE 43 CO 0.16 0.05 0.92 1.25 -0.60 0.00 0.00 178.31 180.10 1b4c h LEU 44 N 0.00 0.05 -0.01 1.54 7.12 -1.35 0.80 115.31 123.47 1b4c h LEU 44 Ca -0.00 0.01 -0.26 0.00 0.13 0.00 0.00 57.88 57.76 1b4c h LEU 44 Cb 0.10 0.01 0.01 0.00 -0.53 0.00 0.00 40.66 40.25 1b4c h LEU 44 CO 0.01 -0.00 -1.11 -0.33 -0.13 0.00 0.00 178.44 176.87 1b4c h GLU 45 N 0.04 0.47 -2.60 1.25 5.08 -1.53 -3.32 114.58 113.97 1b4c h GLU 45 Ca 0.64 -0.59 -0.73 0.00 -1.00 0.00 0.00 59.36 57.67 1b4c h GLU 45 Cb 2.44 0.19 -0.13 0.00 0.50 0.00 0.00 28.75 31.76 1b4c h GLU 45 CO -0.05 1.23 2.35 0.39 -1.00 0.00 0.00 179.01 181.93 1b4c n GLU 46 N -3.72 4.53 -4.07 2.33 1.02 0.28 -4.88 120.64 116.13 1b4c n GLU 46 Ca -0.10 -3.43 -0.32 0.00 -0.02 0.00 0.00 57.16 53.30 1b4c n GLU 46 Cb 0.93 -2.61 -0.15 0.00 -0.02 0.00 0.00 31.44 29.58 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 -1.20 2.17 -0.17 -3.67 -1.09 -1.22 -4.67 121.20 111.36 1b4c s ILE 47 Ca 0.54 -1.59 -0.14 0.00 -2.23 0.00 0.00 60.65 57.23 1b4c s ILE 47 Cb 0.19 -2.26 -0.09 0.00 -1.58 0.00 0.00 42.46 38.72 1b4c s ILE 47 CO -0.10 0.00 -0.02 0.50 -1.23 0.00 0.00 174.94 174.09 1b4c h LYS 48 N 7.78 0.00 -6.42 2.79 3.11 -1.90 -3.44 116.57 118.50 1b4c h LYS 48 Ca -0.21 0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 57.08 1b4c h LYS 48 Cb 1.05 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 32.22 1b4c h LYS 48 CO 0.47 0.40 1.11 -1.21 -2.81 0.00 0.00 179.45 177.41 1b4c s GLU 49 N -2.28 3.35 0.26 1.90 8.01 -1.26 -4.83 118.70 123.84 1b4c s GLU 49 Ca -0.20 0.62 0.17 0.00 0.01 0.00 0.00 54.97 55.56 1b4c s GLU 49 Cb 0.04 -4.11 0.06 0.00 -4.31 0.00 0.00 34.13 25.80 1b4c s GLU 49 CO 0.36 -1.87 1.33 1.96 0.01 0.00 0.00 175.26 177.06 1b4c h GLN 50 N 11.19 0.00 0.00 1.61 1.08 -1.94 -3.25 115.11 123.80 1b4c h GLN 50 Ca -0.27 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.90 1b4c h GLN 50 Cb 1.10 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1b4c h GLN 50 CO 1.15 0.38 -0.16 0.93 -0.95 0.00 0.00 178.83 180.18 1b4c h GLU 51 N 0.00 0.00 0.03 1.46 4.39 -1.99 -2.01 114.58 116.46 1b4c h GLU 51 Ca -0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1b4c h GLU 51 Cb 1.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1b4c h GLU 51 CO 0.05 0.16 -0.01 0.28 -1.16 0.00 0.00 179.01 178.33 1b4c h VAL 52 N 0.00 1.40 -0.28 3.13 2.07 -1.95 -2.93 116.25 117.69 1b4c h VAL 52 Ca -0.00 -1.74 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 1b4c h VAL 52 Cb 0.85 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1b4c h VAL 52 CO 0.02 0.42 0.05 0.58 0.02 0.00 0.00 177.57 178.66 1b4c h VAL 53 N -0.85 1.14 -0.72 2.57 2.07 -1.63 -2.26 116.25 116.58 1b4c h VAL 53 Ca -0.00 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1b4c h VAL 53 Cb 0.72 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1b4c h VAL 53 CO 0.01 0.18 0.47 0.44 0.02 0.00 0.00 177.57 178.69 1b4c h ASP 54 N 0.39 0.82 0.69 0.57 5.19 -1.38 -1.85 116.42 120.84 1b4c h ASP 54 Ca 0.09 -0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.41 1b4c h ASP 54 Cb 0.18 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 1b4c h ASP 54 CO -0.00 0.59 -0.34 0.11 -3.12 0.00 0.00 179.24 176.48 1b4c h LYS 55 N 0.96 0.00 0.48 3.56 1.57 -1.22 -2.69 116.57 119.23 1b4c h LYS 55 Ca 0.26 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1b4c h LYS 55 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1b4c h LYS 55 CO -0.06 0.34 -0.23 0.28 -0.57 0.00 0.00 179.45 179.21 1b4c h VAL 56 N 0.00 0.42 -0.30 0.50 2.07 -1.05 0.61 116.25 118.50 1b4c h VAL 56 Ca -0.00 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.18 1b4c h VAL 56 Cb 0.77 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1b4c h VAL 56 CO 0.04 0.06 0.31 0.24 0.02 0.00 0.00 177.57 178.24 1b4c h MET 57 N -0.93 0.00 0.09 1.57 2.86 -1.38 0.29 114.93 117.43 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 -1.61 1.49 1.06 0.00 0.00 176.91 177.96 1b4c h GLU 58 N 0.00 0.20 -0.25 1.72 4.57 -1.11 -2.32 114.58 117.39 1b4c h GLU 58 Ca 0.14 -0.34 -0.10 0.00 -1.18 0.00 0.00 59.36 57.88 1b4c h GLU 58 Cb 0.76 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1b4c h GLU 58 CO -0.00 1.02 -0.25 1.15 -1.18 0.00 0.00 179.01 179.74 1b4c h THR 59 N 0.05 1.31 0.72 0.32 2.02 0.24 -1.21 112.91 116.37 1b4c h THR 59 Ca -0.27 -1.42 -0.04 0.00 0.77 0.00 0.00 66.41 65.46 1b4c h THR 59 Cb 2.01 1.66 0.01 0.00 -1.74 0.00 0.00 68.15 70.09 1b4c h THR 59 CO 0.14 0.45 -0.35 -0.07 0.37 0.00 0.00 175.52 176.06 1b4c h LEU 60 N 0.32 -0.82 -1.42 2.58 3.38 -0.67 -0.40 115.31 118.29 1b4c h LEU 60 Ca 0.04 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1b4c h LEU 60 Cb 0.81 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1b4c h LEU 60 CO 0.06 -0.53 0.54 0.44 0.09 0.00 0.00 178.44 179.04 1b4c h ASP 61 N -1.06 0.00 -1.21 -0.43 5.19 -1.40 0.52 116.42 118.03 1b4c h ASP 61 Ca -0.10 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.63 1b4c h ASP 61 Cb 0.76 0.00 -0.31 0.00 0.18 0.00 0.00 39.33 39.96 1b4c h ASP 61 CO 0.16 0.00 0.63 -0.62 -3.12 0.00 0.00 179.24 176.29 1b4c n GLU 62 N -2.81 2.86 -0.42 3.56 1.02 -0.17 -4.73 120.64 119.96 1b4c n GLU 62 Ca -0.01 -3.51 0.35 0.00 -0.02 0.00 0.00 57.16 53.97 1b4c n GLU 62 Cb 0.58 -2.28 0.63 0.00 -0.02 0.00 0.00 31.44 30.34 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 2.27 0.27 0.00 1.62 3.58 0.14 -3.43 116.42 120.87 1b4c h ASP 63 Ca 0.56 0.13 0.00 0.00 0.42 0.00 0.00 57.03 58.13 1b4c h ASP 63 Cb 0.74 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1b4c h ASP 63 CO 1.42 -0.14 0.00 0.61 -2.88 0.00 0.00 179.24 178.26 1b4c n GLY 64 N -1.52 0.00 0.07 -0.78 0.00 -1.26 -4.45 105.19 97.25 1b4c n GLY 64 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.30 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 1.76 0.00 1.61 5.68 -1.26 -5.02 116.55 119.32 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 0.69 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 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 2.22 2.76 3.18 6.12 0.00 -1.26 -5.00 105.19 113.21 1b4c n GLY 66 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.25 0.31 -0.20 1.61 -1.05 -1.26 -4.89 118.70 112.96 1b4c s GLU 67 Ca 0.00 0.70 -0.08 0.00 -0.15 0.00 0.00 54.97 55.43 1b4c s GLU 67 Cb 0.00 -0.05 -0.04 0.00 -0.44 0.00 0.00 34.13 33.60 1b4c s GLU 67 CO 0.00 -0.17 0.09 0.00 0.95 0.00 0.00 175.26 176.13 1b4c n ASP 69 N 3.84 0.20 0.10 0.00 2.03 -1.26 0.19 116.55 121.65 1b4c n ASP 69 Ca -0.16 -1.31 -0.05 0.00 0.52 0.00 0.00 54.79 53.78 1b4c n ASP 69 Cb 0.52 -0.45 0.04 0.00 -0.72 0.00 0.00 41.12 40.51 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 -1.16 0.11 -0.73 -0.67 3.04 -1.94 -3.09 116.94 112.51 1b4c h PHE 70 Ca -0.20 -0.06 0.04 0.00 3.98 0.00 0.00 57.97 61.73 1b4c h PHE 70 Cb 0.58 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.03 1b4c h PHE 70 CO 0.00 0.84 0.48 1.96 -2.02 0.00 0.00 178.31 179.57 1b4c h GLN 71 N 0.05 0.85 0.00 1.11 4.20 -1.97 0.11 115.11 119.45 1b4c h GLN 71 Ca -0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1b4c h GLN 71 Cb 1.40 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 1b4c h GLN 71 CO 0.11 0.56 -0.12 0.93 -0.67 0.00 0.00 178.83 179.64 1b4c h GLU 72 N 0.88 0.00 -0.02 1.46 3.07 -1.91 -2.90 114.58 115.16 1b4c h GLU 72 Ca 0.29 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.92 1b4c h GLU 72 Cb 0.07 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1b4c h GLU 72 CO -0.09 0.12 -0.92 0.35 -1.40 0.00 0.00 179.01 177.08 1b4c h PHE 73 N 0.00 0.96 -0.12 4.33 3.57 -0.80 -2.08 116.94 122.80 1b4c h PHE 73 Ca -0.00 -0.51 -0.03 0.00 3.53 0.00 0.00 57.97 60.96 1b4c h PHE 73 Cb 0.71 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 1b4c h PHE 73 CO 0.00 1.34 -0.05 1.98 -2.23 0.00 0.00 178.31 179.35 1b4c h MET 74 N 0.31 0.25 0.53 1.11 4.05 -1.29 -1.53 114.93 118.36 1b4c h MET 74 Ca -0.11 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.18 1b4c h MET 74 Cb 1.58 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 32.38 1b4c h MET 74 CO 0.18 0.58 -0.26 0.00 0.23 0.00 0.00 176.91 177.65 1b4c h ALA 75 N 0.66 -0.71 -0.83 0.39 0.00 -1.59 -1.83 119.26 115.35 1b4c h ALA 75 Ca 0.03 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1b4c h ALA 75 Cb 0.50 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1b4c h ALA 75 CO 0.02 -0.82 0.54 0.74 0.00 0.00 0.00 179.25 179.73 1b4c h PHE 76 N -0.88 0.96 -0.12 0.00 0.04 -1.46 0.68 116.94 116.16 1b4c h PHE 76 Ca -0.07 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 1b4c h PHE 76 Cb 0.61 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1b4c h PHE 76 CO -0.01 0.53 -0.10 0.28 -0.60 0.00 0.00 178.31 178.42 1b4c h VAL 77 N 0.97 1.14 0.02 -0.55 2.07 -1.16 -2.81 116.25 115.93 1b4c h VAL 77 Ca 0.34 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1b4c h VAL 77 Cb 0.13 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1b4c h VAL 77 CO -0.11 0.19 -0.01 -1.28 0.02 0.00 0.00 177.57 176.37 1b4c h SER 78 N 0.17 -0.03 -1.01 0.57 0.87 0.00 -2.42 113.55 111.71 1b4c h SER 78 Ca 0.04 -0.47 0.23 0.00 -1.23 0.00 0.00 61.79 60.35 1b4c h SER 78 Cb 0.28 0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 62.14 1b4c h SER 78 CO 0.02 0.47 0.62 0.24 -0.53 0.00 0.00 176.83 177.64 1b4c h MET 79 N -0.53 0.59 0.02 2.24 2.07 -1.14 0.64 114.93 118.83 1b4c h MET 79 Ca -0.00 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1b4c h MET 79 Cb 0.50 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 1b4c h MET 79 CO 0.01 0.39 -0.01 0.28 1.07 0.00 0.00 176.91 178.65 1b4c h VAL 80 N 0.61 1.43 -0.84 -2.22 2.07 -1.49 0.18 116.25 115.98 1b4c h VAL 80 Ca 0.60 -1.45 0.05 0.00 0.82 0.00 0.00 66.70 66.72 1b4c h VAL 80 Cb 1.15 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 33.25 1b4c h VAL 80 CO -0.39 0.37 0.53 0.74 0.02 0.00 0.00 177.57 178.84 1b4c h THR 81 N -0.66 1.09 0.00 2.57 2.02 -0.75 0.14 112.91 117.31 1b4c h THR 81 Ca -0.00 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1b4c h THR 81 Cb 0.62 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1b4c h THR 81 CO 0.00 0.18 -0.07 0.71 0.37 0.00 0.00 175.52 176.72 1b4c h THR 82 N 1.01 0.14 -0.22 3.16 1.35 0.26 -3.03 112.91 115.58 1b4c h THR 82 Ca 0.35 -0.86 0.06 0.00 -0.55 0.00 0.00 66.41 65.42 1b4c h THR 82 Cb 0.09 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1b4c h THR 82 CO -0.14 0.07 0.20 0.00 -0.25 0.00 0.00 175.52 175.40 1b4c h ALA 83 N 1.93 1.97 -2.52 6.62 0.00 0.15 -3.41 119.26 124.00 1b4c h ALA 83 Ca -0.00 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1b4c h ALA 83 Cb 0.75 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.58 1b4c h ALA 83 CO 0.01 -0.32 0.42 0.00 0.00 0.00 0.00 179.25 179.36 1b4c n HIS 85 N -0.25 -1.80 -1.52 0.00 1.44 -1.26 -4.40 115.22 107.43 1b4c n HIS 85 Ca 0.06 0.21 -0.35 0.00 -2.01 0.00 0.00 57.72 55.63 1b4c n HIS 85 Cb 0.50 -1.43 -0.13 0.00 0.12 0.00 0.00 29.99 29.04 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 -0.82 0.27 0.26 -1.40 -0.58 -1.26 -4.71 120.64 112.41 1b4c n GLU 86 Ca 0.02 -0.06 0.12 0.00 -0.42 0.00 0.00 57.16 56.83 1b4c n GLU 86 Cb 0.47 -2.01 0.71 0.00 -0.57 0.00 0.00 31.44 30.04 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 13.63 0.00 -0.94 -0.32 -0.00 -1.93 -2.20 116.94 125.18 1b4c h PHE 87 Ca -0.08 0.00 0.25 0.00 -0.00 0.00 0.00 57.97 58.14 1b4c h PHE 87 Cb 1.25 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 37.15 1b4c h PHE 87 CO 1.11 0.12 0.65 0.74 -0.00 0.00 0.00 178.31 180.93 1b4c h PHE 88 N 0.00 0.28 -2.01 6.09 0.04 -1.98 0.54 116.94 119.91 1b4c h PHE 88 Ca -0.00 0.01 -0.77 0.00 2.80 0.00 0.00 57.97 60.01 1b4c h PHE 88 Cb 0.34 -0.09 -0.27 0.00 2.20 0.00 0.00 35.95 38.13 1b4c h PHE 88 CO 0.00 0.06 1.06 0.39 -0.60 0.00 0.00 178.31 179.21 1b4c n GLU 89 N -4.40 2.94 -1.86 1.51 -0.58 -0.83 -5.01 120.64 112.41 1b4c n GLU 89 Ca 0.20 -3.61 -0.38 0.00 -0.42 0.00 0.00 57.16 52.95 1b4c n GLU 89 Cb 0.88 -2.28 0.03 0.00 -0.57 0.00 0.00 31.44 29.50 1b4c n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1b4c s HIS 90 N -4.09 2.39 -2.00 -0.32 5.65 0.18 -5.02 115.29 112.08 1b4c s HIS 90 Ca 0.51 1.39 0.16 0.00 0.25 0.00 0.00 55.06 57.37 1b4c s HIS 90 Cb 0.42 -3.74 0.94 0.00 -1.18 0.00 0.00 32.58 29.02 1b4c s HIS 90 CO -0.40 -2.68 1.35 0.39 -0.65 0.00 0.00 174.74 172.75