#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4c s SER 1 N 0.00 0.79 0.37 7.83 1.04 -1.26 -4.80 113.70 117.68 1b4c s SER 1 Ca 0.00 1.05 0.07 0.00 0.48 0.00 0.00 55.95 57.54 1b4c s SER 1 Cb 0.00 -1.58 0.74 0.00 0.10 0.00 0.00 66.02 65.28 1b4c s SER 1 CO 0.00 -4.25 1.94 -0.08 0.98 0.00 0.00 173.24 171.83 1b4c h GLU 2 N -2.66 0.43 -0.00 4.02 4.81 -2.06 -2.81 114.58 116.30 1b4c h GLU 2 Ca -0.52 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.63 1b4c h GLU 2 Cb 1.33 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1b4c h GLU 2 CO 0.43 0.44 0.00 1.25 -0.73 0.00 0.00 179.01 180.40 1b4c h LEU 3 N 0.42 0.00 -0.49 1.64 6.46 -1.99 -2.51 115.31 118.83 1b4c h LEU 3 Ca 0.10 -0.07 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 1b4c h LEU 3 Cb 0.24 -0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.10 1b4c h LEU 3 CO 0.00 0.07 0.07 -0.33 -0.62 0.00 0.00 178.44 177.64 1b4c h GLU 4 N -0.07 0.20 -0.90 1.25 3.07 -1.84 0.21 114.58 116.50 1b4c h GLU 4 Ca 0.00 -0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.03 1b4c h GLU 4 Cb 0.07 -0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 27.83 1b4c h GLU 4 CO -0.00 0.13 0.46 0.87 -1.40 0.00 0.00 179.01 179.07 1b4c h LYS 5 N 0.20 0.56 0.00 2.33 1.79 -1.36 0.86 116.57 120.95 1b4c h LYS 5 Ca 0.25 -0.03 -0.17 0.00 -2.18 0.00 0.00 60.65 58.52 1b4c h LYS 5 Cb 0.34 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1b4c h LYS 5 CO -0.34 0.37 -0.80 0.00 -1.08 0.00 0.00 179.45 177.60 1b4c h ALA 6 N 1.63 0.61 -0.42 3.86 0.00 -0.55 -2.53 119.26 121.86 1b4c h ALA 6 Ca 0.52 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1b4c h ALA 6 Cb 0.85 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1b4c h ALA 6 CO -0.42 1.00 0.20 1.98 0.00 0.00 0.00 179.25 182.01 1b4c h MET 7 N 0.00 0.61 -0.23 0.00 -1.53 0.18 -1.34 114.93 112.62 1b4c h MET 7 Ca -0.01 -0.10 -0.14 0.00 -3.44 0.00 0.00 59.70 56.02 1b4c h MET 7 Cb 1.48 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 32.41 1b4c h MET 7 CO 0.10 0.54 -0.43 0.28 0.14 0.00 0.00 176.91 177.54 1b4c h VAL 8 N 0.54 1.30 -0.02 -5.77 2.07 -1.40 -3.12 116.25 109.86 1b4c h VAL 8 Ca 0.14 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1b4c h VAL 8 Cb 0.14 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1b4c h VAL 8 CO -0.02 0.51 0.02 0.00 0.02 0.00 0.00 177.57 178.10 1b4c h ALA 9 N 1.07 0.03 -0.02 1.67 0.00 -1.05 -2.07 119.26 118.90 1b4c h ALA 9 Ca 0.03 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1b4c h ALA 9 Cb 0.94 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1b4c h ALA 9 CO 0.08 -0.47 -0.37 -0.07 0.00 0.00 0.00 179.25 178.42 1b4c h LEU 10 N 0.03 -1.12 -1.22 0.00 3.38 -1.22 -0.50 115.31 114.66 1b4c h LEU 10 Ca 0.01 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1b4c h LEU 10 Cb -0.00 0.45 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1b4c h LEU 10 CO -0.00 -0.42 0.57 0.40 0.09 0.00 0.00 178.44 179.08 1b4c h ILE 11 N -0.51 0.93 -0.24 1.22 2.04 -1.47 -1.40 117.51 118.08 1b4c h ILE 11 Ca 0.06 -0.29 -0.17 0.00 1.00 0.00 0.00 64.86 65.47 1b4c h ILE 11 Cb 0.60 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1b4c h ILE 11 CO -0.30 0.15 -0.52 -0.78 0.00 0.00 0.00 178.15 176.69 1b4c h ASP 12 N 0.83 0.77 -0.30 1.72 1.82 -0.50 -2.84 116.42 117.92 1b4c h ASP 12 Ca 0.42 -0.40 -0.11 0.00 -0.39 0.00 0.00 57.03 56.55 1b4c h ASP 12 Cb 0.48 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1b4c h ASP 12 CO -0.18 1.15 -0.25 0.58 -1.61 0.00 0.00 179.24 178.93 1b4c h VAL 13 N 0.54 1.30 -0.65 2.25 2.07 -0.29 -0.60 116.25 120.87 1b4c h VAL 13 Ca 0.02 -1.40 0.16 0.00 0.82 0.00 0.00 66.70 66.29 1b4c h VAL 13 Cb 1.09 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1b4c h VAL 13 CO 0.11 0.45 0.45 0.15 0.02 0.00 0.00 177.57 178.75 1b4c h PHE 14 N 0.46 0.21 0.02 1.57 3.04 -1.28 0.22 116.94 121.19 1b4c h PHE 14 Ca 0.05 0.01 -0.21 0.00 3.98 0.00 0.00 57.97 61.80 1b4c h PHE 14 Cb 0.81 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.23 1b4c h PHE 14 CO 0.07 0.08 -0.99 1.25 -2.02 0.00 0.00 178.31 176.70 1b4c h HIS 15 N 0.18 0.15 -0.62 0.41 2.76 -1.14 -3.14 115.15 113.74 1b4c h HIS 15 Ca 0.31 -0.10 0.09 0.00 -2.20 0.00 0.00 60.37 58.48 1b4c h HIS 15 Cb 0.98 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.86 1b4c h HIS 15 CO -0.00 1.01 0.26 0.37 -1.30 0.00 0.00 177.93 178.27 1b4c h GLN 16 N 0.03 0.45 -0.12 5.26 4.15 0.10 -1.39 115.11 123.59 1b4c h GLN 16 Ca -0.04 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.24 1b4c h GLN 16 Cb 1.70 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.29 1b4c h GLN 16 CO 0.14 0.30 -0.38 1.88 -1.93 0.00 0.00 178.83 178.83 1b4c h TYR 17 N 0.46 0.63 -1.97 3.99 -1.99 -1.62 -3.30 116.97 113.17 1b4c h TYR 17 Ca 0.31 -0.25 -0.79 0.00 2.00 0.00 0.00 58.73 60.00 1b4c h TYR 17 Cb 0.35 -0.11 -0.23 0.00 2.00 0.00 0.00 36.73 38.75 1b4c h TYR 17 CO -0.15 1.00 1.41 -1.13 -0.00 0.00 0.00 178.16 179.29 1b4c n SER 18 N -4.32 7.51 -0.00 3.88 3.41 -0.84 -4.31 113.62 118.95 1b4c n SER 18 Ca -0.07 -3.53 0.00 0.00 -0.26 0.00 0.00 58.87 55.00 1b4c n SER 18 Cb 0.53 -1.23 -0.00 0.00 -0.26 0.00 0.00 64.21 63.25 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 0.46 0.86 0.21 5.00 0.00 -0.58 -4.00 105.19 107.14 1b4c n GLY 19 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.19 0.00 1.61 9.65 -1.85 -3.42 114.38 120.57 1b4c h ARG 20 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1b4c h ARG 20 Cb 0.01 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1b4c h ARG 20 CO 0.00 0.49 0.00 0.39 2.80 0.00 0.00 179.97 183.65 1b4c n GLU 21 N -4.12 0.00 -0.79 0.20 1.02 -1.26 -4.98 120.64 110.70 1b4c n GLU 21 Ca -0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.09 1b4c n GLU 21 Cb 0.39 -0.13 -0.02 0.00 -0.02 0.00 0.00 31.44 31.67 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 0.20 0.36 0.40 0.62 0.00 -1.26 -4.73 105.19 100.78 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 -1.44 -3.16 1.61 3.32 -1.93 -3.40 116.42 111.42 1b4c h ASP 23 Ca -0.08 0.20 -0.50 0.00 0.02 0.00 0.00 57.03 56.68 1b4c h ASP 23 Cb 0.42 0.61 0.01 0.00 0.22 0.00 0.00 39.33 40.59 1b4c h ASP 23 CO 0.11 -0.40 -0.10 -0.54 -1.72 0.00 0.00 179.24 176.60 1b4c s LYS 24 N -5.84 3.57 -0.65 3.56 1.02 -1.26 -4.99 119.74 115.14 1b4c s LYS 24 Ca -0.15 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1b4c s LYS 24 Cb 0.10 -2.59 0.41 0.00 -0.52 0.00 0.00 37.83 35.23 1b4c s LYS 24 CO 0.64 0.10 1.77 -2.39 -0.92 0.00 0.00 175.35 174.55 1b4c n HIS 25 N -1.52 3.10 -4.15 3.18 1.44 -1.26 -4.96 115.22 111.05 1b4c n HIS 25 Ca -0.02 -2.66 -0.17 0.00 -2.01 0.00 0.00 57.72 52.86 1b4c n HIS 25 Cb 0.55 -0.98 -0.12 0.00 0.12 0.00 0.00 29.99 29.56 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 -3.85 0.77 -0.01 -1.40 1.02 -1.26 -4.73 119.74 110.28 1b4c s LYS 26 Ca 0.55 -0.94 0.06 0.00 0.02 0.00 0.00 55.97 55.67 1b4c s LYS 26 Cb 0.45 -0.70 -0.02 0.00 -0.52 0.00 0.00 37.83 37.04 1b4c s LYS 26 CO -0.19 0.15 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.01 1b4c s LEU 27 N -1.78 2.06 0.34 3.17 2.96 0.98 -4.95 118.68 121.45 1b4c s LEU 27 Ca -0.03 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.40 1b4c s LEU 27 Cb -0.09 -1.03 -0.07 0.00 0.50 0.00 0.00 46.19 45.50 1b4c s LEU 27 CO 0.02 0.23 0.68 -0.54 -1.32 0.00 0.00 176.35 175.42 1b4c s LYS 28 N -0.60 3.77 0.23 1.98 1.02 -1.26 0.95 119.74 125.83 1b4c s LYS 28 Ca 0.08 0.34 -0.09 0.00 0.02 0.00 0.00 55.97 56.32 1b4c s LYS 28 Cb -0.08 -2.50 0.20 0.00 -0.52 0.00 0.00 37.83 34.93 1b4c s LYS 28 CO -0.00 0.11 1.90 1.57 -0.92 0.00 0.00 175.35 178.00 1b4c h LYS 29 N 1.69 1.13 -0.84 1.68 2.10 -1.91 -1.22 116.57 119.20 1b4c h LYS 29 Ca -0.47 -0.07 0.09 0.00 -2.00 0.00 0.00 60.65 58.19 1b4c h LYS 29 Cb 1.18 -0.25 -0.06 0.00 -0.90 0.00 0.00 32.23 32.20 1b4c h LYS 29 CO 0.65 0.75 0.55 0.77 -2.00 0.00 0.00 179.45 180.17 1b4c h SER 30 N 1.16 0.74 0.54 7.07 0.02 -1.94 -0.38 113.55 120.76 1b4c h SER 30 Ca 0.31 0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.99 1b4c h SER 30 Cb -0.13 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 1b4c h SER 30 CO -0.07 0.45 -1.39 -0.33 -1.14 0.00 0.00 176.83 174.35 1b4c h GLU 31 N 0.83 0.26 -0.49 3.45 5.08 -1.83 -3.23 114.58 118.65 1b4c h GLU 31 Ca 0.38 -0.45 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1b4c h GLU 31 Cb 0.38 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1b4c h GLU 31 CO -0.15 1.17 0.28 1.25 -1.00 0.00 0.00 179.01 180.55 1b4c h LEU 32 N 0.07 0.44 0.14 1.33 5.85 -0.49 -1.44 115.31 121.22 1b4c h LEU 32 Ca -0.19 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1b4c h LEU 32 Cb 2.00 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.90 1b4c h LEU 32 CO 0.18 0.31 -0.42 0.50 -0.34 0.00 0.00 178.44 178.67 1b4c h LYS 33 N 0.56 -0.65 -1.01 1.25 3.64 -1.15 0.11 116.57 119.32 1b4c h LYS 33 Ca 0.20 0.04 0.24 0.00 -1.27 0.00 0.00 60.65 59.87 1b4c h LYS 33 Cb 0.04 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 31.91 1b4c h LYS 33 CO -0.10 -0.43 0.64 0.93 -2.27 0.00 0.00 179.45 178.22 1b4c h GLU 34 N -0.67 0.47 -0.46 1.90 5.08 -1.48 0.36 114.58 119.79 1b4c h GLU 34 Ca 0.02 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1b4c h GLU 34 Cb 0.69 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1b4c h GLU 34 CO -0.23 0.31 -0.14 1.25 -1.00 0.00 0.00 179.01 179.20 1b4c h LEU 35 N 0.49 0.86 -1.54 1.33 5.85 0.21 -2.46 115.31 120.05 1b4c h LEU 35 Ca 0.59 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 59.03 1b4c h LEU 35 Cb 1.32 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1b4c h LEU 35 CO -0.33 1.01 0.32 0.40 -0.34 0.00 0.00 178.44 179.50 1b4c h ILE 36 N 0.77 1.11 -0.15 4.05 2.04 0.17 -2.28 117.51 123.23 1b4c h ILE 36 Ca 0.12 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1b4c h ILE 36 Cb 0.66 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1b4c h ILE 36 CO 0.05 0.12 0.03 -1.13 0.00 0.00 0.00 178.15 177.21 1b4c h ASN 37 N 0.63 0.23 -0.23 1.72 -1.24 -0.93 -0.70 115.58 115.06 1b4c h ASN 37 Ca 0.18 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1b4c h ASN 37 Cb -0.04 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1b4c h ASN 37 CO -0.04 0.42 0.00 -3.20 -1.29 0.00 0.00 177.43 173.32 1b4c n ASN 38 N -4.81 1.74 0.00 1.15 5.15 -1.11 -3.43 115.26 113.95 1b4c n ASN 38 Ca -0.05 -1.80 0.00 0.00 -0.60 0.00 0.00 54.58 52.13 1b4c n ASN 38 Cb 0.17 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 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 0.39 1.14 -0.39 1.20 -0.58 -0.88 -4.74 120.64 116.78 1b4c n GLU 39 Ca 0.15 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.96 1b4c n GLU 39 Cb 0.32 -0.94 0.15 0.00 -0.57 0.00 0.00 31.44 30.40 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 2.24 0.18 -4.62 4.77 -0.28 -4.71 117.00 113.19 1b4c n LEU 40 Ca 0.00 -3.19 0.05 0.00 -0.03 0.00 0.00 56.01 52.84 1b4c n LEU 40 Cb 0.06 -0.41 0.28 0.00 -2.33 0.00 0.00 43.42 41.03 1b4c n LEU 40 CO 0.00 0.94 0.64 0.77 -1.33 0.00 0.00 177.39 178.41 1b4c h SER 41 N 0.45 0.00 0.05 -1.43 4.64 -1.71 -2.91 113.55 112.64 1b4c h SER 41 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1b4c h SER 41 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1b4c h SER 41 CO 0.01 0.40 -0.02 0.45 -0.87 0.00 0.00 176.83 176.79 1b4c h HIS 42 N 0.00 -0.06 0.00 4.77 3.86 -1.90 -3.06 115.15 118.75 1b4c h HIS 42 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1b4c h HIS 42 Cb 0.98 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1b4c h HIS 42 CO 0.00 0.53 0.00 0.74 0.86 0.00 0.00 177.93 180.06 1b4c h PHE 43 N -0.72 0.00 -1.25 2.45 0.04 -1.91 -2.88 116.94 112.67 1b4c h PHE 43 Ca -0.01 0.00 0.37 0.00 2.80 0.00 0.00 57.97 61.13 1b4c h PHE 43 Cb 0.62 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.67 1b4c h PHE 43 CO 0.13 0.00 0.85 1.25 -0.60 0.00 0.00 178.31 179.94 1b4c h LEU 44 N 0.00 0.22 0.00 1.54 7.12 -1.40 0.55 115.31 123.34 1b4c h LEU 44 Ca 0.00 0.07 -0.26 0.00 0.13 0.00 0.00 57.88 57.82 1b4c h LEU 44 Cb 0.18 0.04 0.01 0.00 -0.53 0.00 0.00 40.66 40.36 1b4c h LEU 44 CO 0.00 -0.03 -1.13 -0.33 -0.13 0.00 0.00 178.44 176.82 1b4c h GLU 45 N 0.16 0.38 -2.45 1.25 5.08 -1.71 -3.34 114.58 113.95 1b4c h GLU 45 Ca 0.69 -0.52 -0.65 0.00 -1.00 0.00 0.00 59.36 57.87 1b4c h GLU 45 Cb 2.25 0.17 -0.13 0.00 0.50 0.00 0.00 28.75 31.55 1b4c h GLU 45 CO -0.23 1.20 1.86 0.39 -1.00 0.00 0.00 179.01 181.24 1b4c n GLU 46 N -3.66 3.87 -4.54 2.33 1.02 0.19 -4.88 120.64 114.97 1b4c n GLU 46 Ca -0.09 -3.01 -0.26 0.00 -0.02 0.00 0.00 57.16 53.79 1b4c n GLU 46 Cb 0.94 -2.49 -0.17 0.00 -0.02 0.00 0.00 31.44 29.71 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 -1.18 1.23 -0.18 -3.67 1.01 -1.23 -4.69 121.20 112.49 1b4c s ILE 47 Ca 0.57 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 60.57 1b4c s ILE 47 Cb 0.24 -1.13 -0.07 0.00 0.01 0.00 0.00 42.46 41.51 1b4c s ILE 47 CO -0.12 0.38 -0.30 1.17 0.00 0.00 0.00 174.94 176.07 1b4c n LYS 48 N 3.96 0.47 -2.30 2.79 3.00 -1.26 -4.87 118.16 119.95 1b4c n LYS 48 Ca -0.21 0.20 -0.42 0.00 -0.00 0.00 0.00 58.31 57.87 1b4c n LYS 48 Cb 0.52 -1.31 -0.02 0.00 0.00 0.00 0.00 35.03 34.21 1b4c n LYS 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1b4c s GLU 49 N -2.62 3.35 0.22 1.64 2.02 -1.25 -4.83 118.70 117.23 1b4c s GLU 49 Ca -0.28 0.76 0.17 0.00 0.02 0.00 0.00 54.97 55.64 1b4c s GLU 49 Cb 0.07 -4.12 0.02 0.00 0.10 0.00 0.00 34.13 30.21 1b4c s GLU 49 CO 0.38 -1.85 1.23 1.96 0.02 0.00 0.00 175.26 177.01 1b4c h GLN 50 N 11.46 0.00 0.00 1.61 4.20 -1.91 -3.27 115.11 127.19 1b4c h GLN 50 Ca -0.28 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 1b4c h GLN 50 Cb 1.11 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 1b4c h GLN 50 CO 1.13 0.35 -0.16 0.93 -0.67 0.00 0.00 178.83 180.40 1b4c h GLU 51 N 0.00 0.00 -0.05 1.46 3.07 -1.99 -1.90 114.58 115.17 1b4c h GLU 51 Ca -0.05 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.76 1b4c h GLU 51 Cb 1.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1b4c h GLU 51 CO 0.05 0.16 -0.17 0.28 -1.40 0.00 0.00 179.01 177.93 1b4c h VAL 52 N 0.00 1.45 -0.30 3.13 2.07 -1.94 -2.73 116.25 117.94 1b4c h VAL 52 Ca -0.00 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 1b4c h VAL 52 Cb 0.78 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 1b4c h VAL 52 CO 0.02 0.44 0.01 0.58 0.02 0.00 0.00 177.57 178.64 1b4c h VAL 53 N -0.34 1.18 -0.45 2.57 2.07 -1.65 -2.40 116.25 117.23 1b4c h VAL 53 Ca -0.01 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.84 1b4c h VAL 53 Cb 0.81 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1b4c h VAL 53 CO 0.04 0.24 0.27 0.44 0.02 0.00 0.00 177.57 178.57 1b4c h ASP 54 N 0.44 0.44 0.69 0.57 3.32 -1.25 -1.60 116.42 119.03 1b4c h ASP 54 Ca 0.10 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1b4c h ASP 54 Cb 0.28 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1b4c h ASP 54 CO 0.01 0.31 -0.29 0.11 -1.72 0.00 0.00 179.24 177.66 1b4c h LYS 55 N 0.54 0.00 0.50 3.56 1.79 -1.14 -2.71 116.57 119.11 1b4c h LYS 55 Ca 0.18 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1b4c h LYS 55 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1b4c h LYS 55 CO -0.08 0.29 -0.24 0.28 -1.08 0.00 0.00 179.45 178.62 1b4c h VAL 56 N 0.00 0.37 -0.38 0.50 2.07 -0.84 1.43 116.25 119.40 1b4c h VAL 56 Ca -0.00 -0.41 0.11 0.00 0.82 0.00 0.00 66.70 67.21 1b4c h VAL 56 Cb 0.72 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1b4c h VAL 56 CO 0.04 0.05 0.41 0.24 0.02 0.00 0.00 177.57 178.33 1b4c h MET 57 N -0.97 0.00 0.13 1.57 2.86 -1.31 0.59 114.93 117.80 1b4c h MET 57 Ca -0.07 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.22 1b4c h MET 57 Cb 0.61 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1b4c h MET 57 CO 0.11 0.00 -1.86 1.49 1.06 0.00 0.00 176.91 177.72 1b4c h GLU 58 N 0.00 0.27 -0.20 1.72 4.22 -1.10 -2.53 114.58 116.97 1b4c h GLU 58 Ca 0.18 -0.46 -0.05 0.00 0.08 0.00 0.00 59.36 59.11 1b4c h GLU 58 Cb 0.99 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1b4c h GLU 58 CO -0.00 1.16 -0.07 1.15 -2.18 0.00 0.00 179.01 179.07 1b4c h THR 59 N 0.07 1.30 0.76 0.32 2.02 0.41 -1.16 112.91 116.63 1b4c h THR 59 Ca -0.37 -1.08 -0.04 0.00 0.77 0.00 0.00 66.41 65.69 1b4c h THR 59 Cb 2.05 1.60 0.01 0.00 -1.74 0.00 0.00 68.15 70.07 1b4c h THR 59 CO 0.12 0.33 -0.37 0.25 0.37 0.00 0.00 175.52 176.21 1b4c h LEU 60 N 0.10 -0.88 -1.34 2.58 5.85 -0.07 0.18 115.31 121.72 1b4c h LEU 60 Ca 0.05 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1b4c h LEU 60 Cb 0.53 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1b4c h LEU 60 CO 0.02 -0.63 0.47 -0.78 -0.34 0.00 0.00 178.44 177.18 1b4c h ASP 61 N -1.03 0.00 -1.11 1.25 3.58 -1.39 0.27 116.42 117.98 1b4c h ASP 61 Ca -0.10 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.66 1b4c h ASP 61 Cb 0.79 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.55 1b4c h ASP 61 CO 0.17 0.00 0.80 -0.62 -2.88 0.00 0.00 179.24 176.71 1b4c n GLU 62 N -2.61 2.75 -0.41 0.28 -0.58 0.05 -4.68 120.64 115.44 1b4c n GLU 62 Ca -0.01 -3.37 0.34 0.00 -0.42 0.00 0.00 57.16 53.69 1b4c n GLU 62 Cb 0.50 -2.29 0.63 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 2.14 0.26 0.00 1.62 3.58 -0.45 -3.43 116.42 120.15 1b4c h ASP 63 Ca 0.59 0.10 0.00 0.00 0.42 0.00 0.00 57.03 58.14 1b4c h ASP 63 Cb 0.75 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1b4c h ASP 63 CO 1.53 -0.07 0.00 0.61 -2.88 0.00 0.00 179.24 178.43 1b4c n GLY 64 N -1.56 0.00 0.08 -0.78 0.00 -1.26 -4.48 105.19 97.19 1b4c n GLY 64 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 1.30 0.00 1.61 8.00 -1.26 -5.01 116.55 121.18 1b4c n ASP 65 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1b4c n ASP 65 Cb 0.00 0.74 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b4c n GLY 66 N 2.10 2.80 3.12 0.44 0.00 -1.26 -5.01 105.19 107.38 1b4c n GLY 66 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.31 0.26 -0.20 1.61 2.02 -1.26 -4.86 118.70 115.96 1b4c s GLU 67 Ca 0.00 0.57 -0.07 0.00 0.02 0.00 0.00 54.97 55.49 1b4c s GLU 67 Cb 0.00 -0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 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 3.92 0.21 0.18 0.00 5.68 -1.26 -0.01 116.55 125.25 1b4c n ASP 69 Ca -0.16 -1.29 0.05 0.00 -0.50 0.00 0.00 54.79 52.89 1b4c n ASP 69 Cb 0.52 -0.38 0.26 0.00 -1.14 0.00 0.00 41.12 40.38 1b4c n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1b4c h PHE 70 N -1.06 0.00 -0.52 2.11 3.04 -1.95 -3.01 116.94 115.55 1b4c h PHE 70 Ca -0.17 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.74 1b4c h PHE 70 Cb 0.50 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 1b4c h PHE 70 CO 0.00 0.41 0.14 1.96 -2.02 0.00 0.00 178.31 178.80 1b4c h GLN 71 N 0.00 0.79 0.00 1.11 4.20 -1.99 -1.15 115.11 118.06 1b4c h GLN 71 Ca -0.00 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 1b4c h GLN 71 Cb 1.03 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 1b4c h GLN 71 CO 0.05 0.70 -0.14 0.93 -0.67 0.00 0.00 178.83 179.70 1b4c h GLU 72 N 0.76 0.00 0.02 1.46 5.08 -1.89 -2.65 114.58 117.36 1b4c h GLU 72 Ca 0.17 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.32 1b4c h GLU 72 Cb 0.26 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.52 1b4c h GLU 72 CO -0.01 0.14 -0.83 0.35 -1.00 0.00 0.00 179.01 177.66 1b4c h PHE 73 N 0.00 0.81 0.36 4.33 3.04 -1.23 -2.51 116.94 121.74 1b4c h PHE 73 Ca -0.00 -0.45 -0.02 0.00 3.98 0.00 0.00 57.97 61.48 1b4c h PHE 73 Cb 0.69 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1b4c h PHE 73 CO 0.00 1.28 -0.17 1.98 -2.02 0.00 0.00 178.31 179.38 1b4c h MET 74 N 0.11 -0.47 -0.78 1.11 4.05 -1.28 0.20 114.93 117.87 1b4c h MET 74 Ca -0.11 0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.50 1b4c h MET 74 Cb 1.53 0.11 -0.10 0.00 -0.80 0.00 0.00 31.60 32.33 1b4c h MET 74 CO 0.16 -0.15 0.31 0.00 0.23 0.00 0.00 176.91 177.46 1b4c h ALA 75 N -0.52 1.11 -0.16 0.39 0.00 -1.60 0.27 119.26 118.76 1b4c h ALA 75 Ca -0.05 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1b4c h ALA 75 Cb 0.54 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1b4c h ALA 75 CO 0.08 -0.23 -0.50 0.74 0.00 0.00 0.00 179.25 179.34 1b4c h PHE 76 N 0.43 0.51 -0.13 0.00 -1.00 -1.42 -2.17 116.94 113.16 1b4c h PHE 76 Ca 0.44 -0.17 -0.11 0.00 2.81 0.00 0.00 57.97 60.94 1b4c h PHE 76 Cb 0.70 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 1b4c h PHE 76 CO -0.17 0.83 -0.41 0.28 -1.61 0.00 0.00 178.31 177.24 1b4c h VAL 77 N 0.33 1.31 0.17 -0.55 2.07 0.12 -2.67 116.25 117.03 1b4c h VAL 77 Ca 0.01 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1b4c h VAL 77 Cb 0.99 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1b4c h VAL 77 CO 0.09 0.46 -0.08 -1.28 0.02 0.00 0.00 177.57 176.77 1b4c h SER 78 N 0.24 -0.20 -0.27 0.57 0.87 -0.30 -2.11 113.55 112.36 1b4c h SER 78 Ca 0.02 -0.31 0.06 0.00 -1.23 0.00 0.00 61.79 60.33 1b4c h SER 78 Cb 0.83 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.77 1b4c h SER 78 CO 0.07 0.25 -0.19 0.24 -0.53 0.00 0.00 176.83 176.67 1b4c h MET 79 N -0.70 -0.17 -0.99 2.24 2.07 -1.38 0.75 114.93 116.75 1b4c h MET 79 Ca -0.02 0.01 0.05 0.00 -2.07 0.00 0.00 59.70 57.67 1b4c h MET 79 Cb 0.50 0.04 -0.06 0.00 -1.87 0.00 0.00 31.60 30.20 1b4c h MET 79 CO 0.04 -0.11 0.65 0.28 1.07 0.00 0.00 176.91 178.83 1b4c h VAL 80 N -0.17 1.13 -0.05 -2.22 2.07 -1.52 2.35 116.25 117.83 1b4c h VAL 80 Ca 0.15 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1b4c h VAL 80 Cb 0.40 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1b4c h VAL 80 CO -0.37 0.22 -0.04 0.74 0.02 0.00 0.00 177.57 178.14 1b4c h THR 81 N 1.21 1.36 0.00 2.57 2.02 -0.39 -2.93 112.91 116.75 1b4c h THR 81 Ca 0.41 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1b4c h THR 81 Cb 0.08 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1b4c h THR 81 CO -0.14 0.32 0.00 0.71 0.37 0.00 0.00 175.52 176.77 1b4c h THR 82 N -0.31 0.00 -0.45 3.16 1.35 0.98 -3.00 112.91 114.64 1b4c h THR 82 Ca 0.01 -0.53 0.13 0.00 -0.55 0.00 0.00 66.41 65.47 1b4c h THR 82 Cb 0.53 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.41 1b4c h THR 82 CO 0.01 0.00 0.34 0.00 -0.25 0.00 0.00 175.52 175.62 1b4c h ALA 83 N 2.10 2.36 -2.38 6.62 0.00 0.42 -3.41 119.26 124.97 1b4c h ALA 83 Ca 0.00 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 1b4c h ALA 83 Cb 0.58 0.03 0.06 0.00 0.00 0.00 0.00 17.79 18.46 1b4c h ALA 83 CO 0.00 -0.57 0.39 0.00 0.00 0.00 0.00 179.25 179.06 1b4c n HIS 85 N -1.63 -1.86 -1.51 0.00 1.44 -1.26 -4.40 115.22 105.99 1b4c n HIS 85 Ca 0.09 0.19 -0.38 0.00 -2.01 0.00 0.00 57.72 55.62 1b4c n HIS 85 Cb 0.52 -1.42 -0.13 0.00 0.12 0.00 0.00 29.99 29.08 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 -0.83 0.21 0.29 -1.40 4.71 -1.26 -4.70 120.64 117.65 1b4c n GLU 86 Ca 0.03 -0.02 0.15 0.00 -0.01 0.00 0.00 57.16 57.30 1b4c n GLU 86 Cb 0.44 -1.88 0.86 0.00 -1.01 0.00 0.00 31.44 29.85 1b4c n GLU 86 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1b4c h PHE 87 N 13.37 0.00 -1.00 -0.32 -5.15 -1.93 -1.85 116.94 120.06 1b4c h PHE 87 Ca -0.08 0.00 0.24 0.00 -0.20 0.00 0.00 57.97 57.93 1b4c h PHE 87 Cb 1.28 0.00 -0.09 0.00 0.22 0.00 0.00 35.95 37.36 1b4c h PHE 87 CO 1.09 0.05 0.64 0.74 -2.00 0.00 0.00 178.31 178.84 1b4c h PHE 88 N 0.00 0.73 -1.46 6.09 0.04 -1.98 -0.83 116.94 119.54 1b4c h PHE 88 Ca -0.00 0.02 -0.71 0.00 2.80 0.00 0.00 57.97 60.08 1b4c h PHE 88 Cb 0.16 -0.22 -0.18 0.00 2.20 0.00 0.00 35.95 37.91 1b4c h PHE 88 CO 0.00 0.11 1.57 0.39 -0.60 0.00 0.00 178.31 179.78 1b4c n GLU 89 N -4.64 4.19 -1.57 1.51 1.02 -0.70 -4.96 120.64 115.49 1b4c n GLU 89 Ca 0.24 -3.51 -0.40 0.00 -0.02 0.00 0.00 57.16 53.47 1b4c n GLU 89 Cb 0.77 -2.46 -0.03 0.00 -0.02 0.00 0.00 31.44 29.70 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 0.95 1.66 -1.67 -0.32 -0.00 -0.32 -5.02 115.22 110.50 1b4c n HIS 90 Ca 0.55 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 58.29 1b4c n HIS 90 Cb 0.31 -2.68 0.00 0.00 -0.00 0.00 0.00 29.99 27.63 1b4c n HIS 90 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43