#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 4.01 0.42 7.83 1.04 -1.26 -4.90 113.70 120.84 1b4c s SER 1 Ca 0.00 0.61 0.09 0.00 0.48 0.00 0.00 55.95 57.14 1b4c s SER 1 Cb 0.00 -0.96 0.91 0.00 0.10 0.00 0.00 66.02 66.07 1b4c s SER 1 CO 0.00 -2.20 2.03 -0.33 0.98 0.00 0.00 173.24 173.71 1b4c h GLU 2 N -1.27 0.50 -0.08 4.02 3.07 -2.06 -2.12 114.58 116.64 1b4c h GLU 2 Ca -0.46 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1b4c h GLU 2 Cb 1.30 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1b4c h GLU 2 CO 0.57 0.33 0.05 1.25 -1.40 0.00 0.00 179.01 179.81 1b4c h LEU 3 N 0.52 0.10 -0.57 1.33 6.46 -1.99 -2.55 115.31 118.60 1b4c h LEU 3 Ca 0.21 -0.02 0.11 0.00 -0.12 0.00 0.00 57.88 58.05 1b4c h LEU 3 Cb 0.17 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 39.99 1b4c h LEU 3 CO -0.05 0.09 0.07 -0.33 -0.62 0.00 0.00 178.44 177.60 1b4c h GLU 4 N 0.09 0.19 -0.74 1.25 5.08 -1.73 0.47 114.58 119.19 1b4c h GLU 4 Ca 0.03 -0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 1b4c h GLU 4 Cb 0.01 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.12 1b4c h GLU 4 CO -0.01 0.12 0.25 -0.22 -1.00 0.00 0.00 179.01 178.15 1b4c h LYS 5 N 0.19 0.35 -0.01 2.33 3.64 -1.34 -0.57 116.57 121.16 1b4c h LYS 5 Ca 0.30 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.42 1b4c h LYS 5 Cb 0.45 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1b4c h LYS 5 CO -0.43 0.23 -0.95 0.00 -2.27 0.00 0.00 179.45 176.03 1b4c h ALA 6 N 1.57 0.31 -0.11 5.00 0.00 -0.45 -2.07 119.26 123.51 1b4c h ALA 6 Ca 0.41 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1b4c h ALA 6 Cb 0.67 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1b4c h ALA 6 CO -0.45 0.78 0.07 0.52 0.00 0.00 0.00 179.25 180.17 1b4c h MET 7 N 0.28 0.14 -0.58 0.00 2.86 0.92 -0.49 114.93 118.07 1b4c h MET 7 Ca -0.09 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1b4c h MET 7 Cb 1.59 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.19 1b4c h MET 7 CO 0.17 0.12 0.26 0.28 1.06 0.00 0.00 176.91 178.80 1b4c h VAL 8 N 0.13 1.20 -0.31 -2.22 2.07 -1.19 -2.38 116.25 113.54 1b4c h VAL 8 Ca 0.04 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1b4c h VAL 8 Cb 0.01 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1b4c h VAL 8 CO -0.01 0.24 0.16 0.00 0.02 0.00 0.00 177.57 177.98 1b4c h ALA 9 N 1.47 0.38 -0.90 1.67 0.00 -0.55 -2.08 119.26 119.25 1b4c h ALA 9 Ca 0.20 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.36 1b4c h ALA 9 Cb 0.11 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.70 1b4c h ALA 9 CO -0.02 -0.21 0.31 -0.07 0.00 0.00 0.00 179.25 179.25 1b4c h LEU 10 N 0.34 0.12 -0.73 0.00 4.07 -0.58 1.18 115.31 119.71 1b4c h LEU 10 Ca 0.12 0.19 -0.07 0.00 0.08 0.00 0.00 57.88 58.20 1b4c h LEU 10 Cb 0.02 0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 1b4c h LEU 10 CO -0.07 -0.13 0.16 0.40 -1.08 0.00 0.00 178.44 177.71 1b4c h ILE 11 N 0.25 1.26 -0.20 1.22 5.03 -1.41 0.20 117.51 123.87 1b4c h ILE 11 Ca 0.58 -0.98 0.06 0.00 -0.12 0.00 0.00 64.86 64.39 1b4c h ILE 11 Cb 1.19 0.55 -0.07 0.00 -3.03 0.00 0.00 36.82 35.46 1b4c h ILE 11 CO -0.63 0.38 -0.28 -0.78 -0.68 0.00 0.00 178.15 176.15 1b4c h ASP 12 N 1.06 -0.89 0.02 1.72 1.82 0.18 0.91 116.42 121.24 1b4c h ASP 12 Ca 0.22 0.14 -0.13 0.00 -0.39 0.00 0.00 57.03 56.88 1b4c h ASP 12 Cb 0.38 0.40 0.01 0.00 0.68 0.00 0.00 39.33 40.80 1b4c h ASP 12 CO 0.00 -0.32 -0.51 0.58 -1.61 0.00 0.00 179.24 177.39 1b4c h VAL 13 N -0.32 1.48 -0.73 2.25 2.07 -1.12 -1.55 116.25 118.34 1b4c h VAL 13 Ca 0.12 -2.10 0.15 0.00 0.82 0.00 0.00 66.70 65.69 1b4c h VAL 13 Cb 0.50 2.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.97 1b4c h VAL 13 CO -0.38 0.60 0.49 0.15 0.02 0.00 0.00 177.57 178.45 1b4c h PHE 14 N -0.28 0.42 0.02 1.57 3.04 -0.43 0.35 116.94 121.64 1b4c h PHE 14 Ca -0.07 0.01 -0.24 0.00 3.98 0.00 0.00 57.97 61.66 1b4c h PHE 14 Cb 1.25 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.60 1b4c h PHE 14 CO 0.17 0.16 -1.18 1.25 -2.02 0.00 0.00 178.31 176.69 1b4c h HIS 15 N 0.36 0.08 -0.68 0.41 2.76 -0.81 -3.14 115.15 114.14 1b4c h HIS 15 Ca 0.36 -0.06 0.10 0.00 -2.20 0.00 0.00 60.37 58.57 1b4c h HIS 15 Cb 0.88 -0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.76 1b4c h HIS 15 CO -0.00 1.05 0.29 0.37 -1.30 0.00 0.00 177.93 178.34 1b4c h GLN 16 N 0.01 0.47 -0.04 5.26 4.15 0.15 0.24 115.11 125.34 1b4c h GLN 16 Ca -0.08 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 1b4c h GLN 16 Cb 1.85 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.43 1b4c h GLN 16 CO 0.13 0.31 -0.25 1.88 -1.93 0.00 0.00 178.83 178.97 1b4c h TYR 17 N 0.49 0.34 -2.14 3.99 -1.99 -1.63 -3.31 116.97 112.72 1b4c h TYR 17 Ca 0.35 -0.15 -0.79 0.00 2.00 0.00 0.00 58.73 60.13 1b4c h TYR 17 Cb 0.43 -0.05 -0.26 0.00 2.00 0.00 0.00 36.73 38.84 1b4c h TYR 17 CO -0.15 0.88 1.09 -1.13 -0.00 0.00 0.00 178.16 178.86 1b4c n SER 18 N -4.50 7.42 -0.00 3.88 3.41 -0.83 -4.33 113.62 118.67 1b4c n SER 18 Ca -0.09 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 1b4c n SER 18 Cb 0.47 -1.15 -0.00 0.00 -0.26 0.00 0.00 64.21 63.26 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 -0.10 0.57 0.23 5.00 0.00 0.78 -3.84 105.19 107.82 1b4c n GLY 19 Ca 0.49 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 0.00 1.61 2.43 -1.83 -3.41 114.38 113.18 1b4c h ARG 20 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1b4c h ARG 20 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1b4c h ARG 20 CO 0.00 0.19 0.00 0.39 -1.51 0.00 0.00 179.97 179.04 1b4c n GLU 21 N -4.21 0.00 -0.76 0.20 1.02 -1.26 -4.98 120.64 110.65 1b4c n GLU 21 Ca -0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.08 1b4c n GLU 21 Cb 0.25 -0.12 -0.01 0.00 -0.02 0.00 0.00 31.44 31.54 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 0.33 0.31 0.62 0.00 -1.25 -4.72 105.19 100.86 1b4c n GLY 22 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.98 -5.14 1.61 3.58 -1.93 -3.41 116.42 110.15 1b4c h ASP 23 Ca -0.07 0.19 -0.45 0.00 0.42 0.00 0.00 57.03 57.12 1b4c h ASP 23 Cb 0.40 0.49 0.10 0.00 1.72 0.00 0.00 39.33 42.04 1b4c h ASP 23 CO 0.10 -0.29 0.18 0.29 -2.88 0.00 0.00 179.24 176.64 1b4c n LYS 24 N -5.42 -0.38 -2.53 0.28 5.02 -1.26 -5.03 118.16 108.84 1b4c n LYS 24 Ca 0.02 -2.54 -0.13 0.00 -2.02 0.00 0.00 58.31 53.65 1b4c n LYS 24 Cb 0.33 -0.82 0.03 0.00 -0.02 0.00 0.00 35.03 34.56 1b4c n LYS 24 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1b4c n HIS 25 N -3.07 1.96 -4.08 2.13 -0.00 -1.26 -5.06 115.22 105.84 1b4c n HIS 25 Ca 0.16 -2.47 -0.13 0.00 -0.00 0.00 0.00 57.72 55.28 1b4c n HIS 25 Cb 0.58 -0.27 -0.11 0.00 -0.00 0.00 0.00 29.99 30.19 1b4c n HIS 25 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1b4c s LYS 26 N -3.55 0.58 0.03 1.57 1.02 -1.26 -4.63 119.74 113.50 1b4c s LYS 26 Ca 0.36 -0.83 0.08 0.00 0.02 0.00 0.00 55.97 55.61 1b4c s LYS 26 Cb 0.39 -0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 1b4c s LYS 26 CO -0.03 0.05 -0.25 -1.17 -0.92 0.00 0.00 175.35 173.04 1b4c s LEU 27 N -1.73 2.14 0.28 3.17 2.96 0.42 -4.90 118.68 121.02 1b4c s LEU 27 Ca -0.07 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.26 1b4c s LEU 27 Cb -0.09 -1.22 -0.05 0.00 0.50 0.00 0.00 46.19 45.33 1b4c s LEU 27 CO 0.00 0.25 0.53 -0.54 -1.32 0.00 0.00 176.35 175.27 1b4c s LYS 28 N -1.06 3.61 0.24 1.98 1.02 -1.26 0.18 119.74 124.45 1b4c s LYS 28 Ca 0.10 -0.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.97 1b4c s LYS 28 Cb -0.10 -2.68 0.30 0.00 -0.52 0.00 0.00 37.83 34.83 1b4c s LYS 28 CO 0.01 0.24 1.89 1.57 -0.92 0.00 0.00 175.35 178.14 1b4c h LYS 29 N 1.68 1.11 -1.01 1.68 2.10 -1.90 -0.78 116.57 119.47 1b4c h LYS 29 Ca -0.48 -0.07 0.04 0.00 -2.00 0.00 0.00 60.65 58.14 1b4c h LYS 29 Cb 1.19 -0.25 -0.06 0.00 -0.90 0.00 0.00 32.23 32.21 1b4c h LYS 29 CO 0.66 0.74 0.66 0.77 -2.00 0.00 0.00 179.45 180.28 1b4c h SER 30 N 1.15 1.10 0.48 7.07 0.02 -1.94 -0.23 113.55 121.20 1b4c h SER 30 Ca 0.37 -0.01 -0.27 0.00 -0.84 0.00 0.00 61.79 61.04 1b4c h SER 30 Cb 0.02 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.32 1b4c h SER 30 CO -0.13 0.75 -1.17 -0.33 -1.14 0.00 0.00 176.83 174.81 1b4c h GLU 31 N 1.27 0.36 -0.60 3.45 5.08 -1.82 -3.22 114.58 119.09 1b4c h GLU 31 Ca 0.40 -0.52 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1b4c h GLU 31 Cb 0.01 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1b4c h GLU 31 CO -0.13 1.21 0.40 1.25 -1.00 0.00 0.00 179.01 180.74 1b4c h LEU 32 N 0.14 0.69 0.16 1.33 5.85 -0.67 -1.22 115.31 121.58 1b4c h LEU 32 Ca -0.13 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1b4c h LEU 32 Cb 1.87 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.68 1b4c h LEU 32 CO 0.20 0.50 -0.42 0.50 -0.34 0.00 0.00 178.44 178.87 1b4c h LYS 33 N 0.81 -0.66 -0.99 1.25 3.64 -1.07 0.60 116.57 120.16 1b4c h LYS 33 Ca 0.22 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.84 1b4c h LYS 33 Cb -0.09 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 31.78 1b4c h LYS 33 CO -0.05 -0.44 0.61 0.93 -2.27 0.00 0.00 179.45 178.24 1b4c h GLU 34 N -0.68 0.66 -0.43 1.90 5.08 -1.50 0.21 114.58 119.81 1b4c h GLU 34 Ca 0.01 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1b4c h GLU 34 Cb 0.69 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1b4c h GLU 34 CO -0.22 0.44 -0.19 1.25 -1.00 0.00 0.00 179.01 179.28 1b4c h LEU 35 N 0.68 0.86 -1.65 1.33 5.85 0.40 -2.57 115.31 120.21 1b4c h LEU 35 Ca 0.55 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1b4c h LEU 35 Cb 0.97 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1b4c h LEU 35 CO -0.33 1.03 0.25 0.40 -0.34 0.00 0.00 178.44 179.46 1b4c h ILE 36 N 0.74 1.07 -0.23 4.05 2.04 0.33 -2.17 117.51 123.34 1b4c h ILE 36 Ca 0.11 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1b4c h ILE 36 Cb 0.72 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1b4c h ILE 36 CO 0.06 0.09 -0.05 0.78 0.00 0.00 0.00 178.15 179.02 1b4c h ASN 37 N 0.47 0.45 -0.19 1.72 2.35 -0.97 -0.18 115.58 119.23 1b4c h ASN 37 Ca 0.14 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1b4c h ASN 37 Cb 0.00 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1b4c h ASN 37 CO -0.03 0.71 0.00 -3.20 -1.65 0.00 0.00 177.43 173.25 1b4c n ASN 38 N -4.58 1.67 0.00 5.81 2.85 -1.07 -3.39 115.26 116.55 1b4c n ASN 38 Ca -0.04 -1.74 0.00 0.00 -0.11 0.00 0.00 54.58 52.69 1b4c n ASN 38 Cb 0.29 -0.12 0.00 0.00 1.24 0.00 0.00 39.78 41.19 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 0.34 2.25 -0.57 1.20 1.02 -0.84 -4.74 120.64 119.29 1b4c n GLU 39 Ca 0.15 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.35 1b4c n GLU 39 Cb 0.32 -0.93 0.20 0.00 -0.02 0.00 0.00 31.44 31.02 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 -1.55 2.76 0.04 -4.62 4.77 -0.09 -4.76 117.00 113.55 1b4c n LEU 40 Ca 0.00 -3.84 -0.12 0.00 -0.03 0.00 0.00 56.01 52.02 1b4c n LEU 40 Cb 0.23 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.71 1b4c n LEU 40 CO 0.00 1.35 0.46 0.77 -1.33 0.00 0.00 177.39 178.65 1b4c h SER 41 N 0.93 -0.14 -0.23 -1.43 4.64 -1.70 -2.15 113.55 113.48 1b4c h SER 41 Ca 0.01 -0.42 0.05 0.00 -0.47 0.00 0.00 61.79 60.96 1b4c h SER 41 Cb 1.04 0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 1b4c h SER 41 CO 0.02 0.41 -0.08 -0.74 -0.87 0.00 0.00 176.83 175.58 1b4c h HIS 42 N -0.77 -0.18 0.00 4.77 -0.00 -1.89 -0.04 115.15 117.03 1b4c h HIS 42 Ca -0.02 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1b4c h HIS 42 Cb 0.55 0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1b4c h HIS 42 CO 0.10 -0.13 -0.06 0.74 -0.00 0.00 0.00 177.93 178.57 1b4c h PHE 43 N -0.03 0.00 -1.04 5.26 0.04 -1.90 -1.90 116.94 117.36 1b4c h PHE 43 Ca 0.12 0.00 0.30 0.00 2.80 0.00 0.00 57.97 61.19 1b4c h PHE 43 Cb 0.21 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 1b4c h PHE 43 CO -0.26 0.06 0.81 1.25 -0.60 0.00 0.00 178.31 179.58 1b4c h LEU 44 N 0.00 0.00 0.23 1.54 6.46 -0.29 0.18 115.31 123.43 1b4c h LEU 44 Ca -0.00 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.44 1b4c h LEU 44 Cb 0.12 0.00 0.04 0.00 -0.73 0.00 0.00 40.66 40.08 1b4c h LEU 44 CO 0.01 0.00 -1.40 -0.33 -0.62 0.00 0.00 178.44 176.10 1b4c h GLU 45 N 0.00 0.54 -2.63 1.25 4.39 -1.40 -3.35 114.58 113.38 1b4c h GLU 45 Ca 0.50 -0.89 -0.61 0.00 0.34 0.00 0.00 59.36 58.70 1b4c h GLU 45 Cb 2.11 0.33 -0.05 0.00 -0.10 0.00 0.00 28.75 31.04 1b4c h GLU 45 CO -0.01 1.42 2.45 0.39 -1.16 0.00 0.00 179.01 182.11 1b4c n GLU 46 N -3.76 3.61 -4.35 2.33 1.02 0.62 -4.86 120.64 115.25 1b4c n GLU 46 Ca -0.16 -2.43 -0.26 0.00 -0.02 0.00 0.00 57.16 54.29 1b4c n GLU 46 Cb 1.07 -2.56 -0.17 0.00 -0.02 0.00 0.00 31.44 29.76 1b4c n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b4c s ILE 47 N 0.52 1.14 -0.16 -3.67 1.01 -1.25 -4.63 121.20 114.17 1b4c s ILE 47 Ca 0.63 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 1b4c s ILE 47 Cb 0.22 -1.08 -0.06 0.00 0.01 0.00 0.00 42.46 41.55 1b4c s ILE 47 CO -0.08 0.37 -0.19 0.29 0.00 0.00 0.00 174.94 175.33 1b4c n LYS 48 N 4.22 0.49 -2.20 2.79 4.01 -1.26 -4.80 118.16 121.41 1b4c n LYS 48 Ca -0.19 0.44 -0.42 0.00 -0.51 0.00 0.00 58.31 57.62 1b4c n LYS 48 Cb 0.51 -1.62 -0.03 0.00 -0.51 0.00 0.00 35.03 33.38 1b4c n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1b4c s GLU 49 N -2.44 3.35 0.26 1.97 2.02 -1.26 -4.83 118.70 117.77 1b4c s GLU 49 Ca -0.21 1.01 0.19 0.00 0.02 0.00 0.00 54.97 55.97 1b4c s GLU 49 Cb 0.04 -4.14 0.08 0.00 0.10 0.00 0.00 34.13 30.21 1b4c s GLU 49 CO 0.33 -1.84 1.28 1.96 0.02 0.00 0.00 175.26 177.01 1b4c h GLN 50 N 11.97 0.00 0.00 1.61 4.20 -1.94 -3.25 115.11 127.69 1b4c h GLN 50 Ca -0.29 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1b4c h GLN 50 Cb 1.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.91 1b4c h GLN 50 CO 1.09 0.24 -0.04 1.05 -0.67 0.00 0.00 178.83 180.51 1b4c h GLU 51 N 0.00 0.00 -0.07 1.46 4.11 -2.00 -2.58 114.58 115.51 1b4c h GLU 51 Ca -0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.34 1b4c h GLU 51 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1b4c h GLU 51 CO 0.03 0.04 -0.18 0.28 0.07 0.00 0.00 179.01 179.25 1b4c h VAL 52 N 0.00 1.43 -0.22 -1.06 2.07 -1.96 -2.83 116.25 113.68 1b4c h VAL 52 Ca -0.00 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 1b4c h VAL 52 Cb 0.66 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1b4c h VAL 52 CO 0.00 0.43 0.04 0.58 0.02 0.00 0.00 177.57 178.65 1b4c h VAL 53 N -0.27 1.12 -0.34 2.57 2.07 -1.66 -2.54 116.25 117.20 1b4c h VAL 53 Ca -0.00 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1b4c h VAL 53 Cb 0.79 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1b4c h VAL 53 CO 0.04 0.14 0.15 -0.78 0.02 0.00 0.00 177.57 177.15 1b4c h ASP 54 N 0.31 0.45 0.66 0.57 3.58 -1.34 -2.55 116.42 118.10 1b4c h ASP 54 Ca 0.08 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 1b4c h ASP 54 Cb 0.14 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1b4c h ASP 54 CO -0.00 0.47 -0.30 0.11 -2.88 0.00 0.00 179.24 176.64 1b4c h LYS 55 N 0.41 0.00 0.49 0.28 1.79 -1.22 -2.96 116.57 115.36 1b4c h LYS 55 Ca 0.11 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1b4c h LYS 55 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1b4c h LYS 55 CO -0.01 0.30 -0.24 0.28 -1.08 0.00 0.00 179.45 178.70 1b4c h VAL 56 N 0.00 0.42 -0.40 0.50 2.07 -1.08 0.32 116.25 118.08 1b4c h VAL 56 Ca -0.00 -0.38 0.12 0.00 0.82 0.00 0.00 66.70 67.25 1b4c h VAL 56 Cb 0.71 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1b4c h VAL 56 CO 0.04 0.06 0.44 0.24 0.02 0.00 0.00 177.57 178.37 1b4c h MET 57 N -0.92 0.00 0.07 1.57 2.86 -1.40 0.23 114.93 117.33 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 0.60 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1b4c h MET 57 CO 0.11 0.00 -1.63 0.93 1.06 0.00 0.00 176.91 177.38 1b4c h GLU 58 N 0.00 0.14 -0.07 1.72 4.39 -1.28 -2.69 114.58 116.80 1b4c h GLU 58 Ca 0.19 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1b4c h GLU 58 Cb 1.08 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1b4c h GLU 58 CO -0.00 0.91 -0.05 1.15 -1.16 0.00 0.00 179.01 179.85 1b4c h THR 59 N 0.04 1.35 0.58 1.13 2.02 0.27 0.11 112.91 118.40 1b4c h THR 59 Ca -0.27 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 1b4c h THR 59 Cb 2.00 1.94 -0.00 0.00 -1.74 0.00 0.00 68.15 70.34 1b4c h THR 59 CO 0.12 0.31 -0.35 -0.07 0.37 0.00 0.00 175.52 175.90 1b4c h LEU 60 N -0.24 -0.89 -1.70 2.58 4.07 -1.02 0.10 115.31 118.22 1b4c h LEU 60 Ca 0.01 0.05 0.09 0.00 0.08 0.00 0.00 57.88 58.12 1b4c h LEU 60 Cb 0.53 0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 1b4c h LEU 60 CO 0.01 -0.55 0.55 -0.78 -1.08 0.00 0.00 178.44 176.59 1b4c h ASP 61 N -0.88 0.00 -0.99 -0.43 3.58 -1.45 0.40 116.42 116.65 1b4c h ASP 61 Ca -0.07 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.71 1b4c h ASP 61 Cb 0.71 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.46 1b4c h ASP 61 CO 0.07 0.00 0.69 -0.62 -2.88 0.00 0.00 179.24 176.50 1b4c n GLU 62 N -3.28 2.80 -0.40 0.28 -0.58 0.34 -4.69 120.64 115.10 1b4c n GLU 62 Ca 0.06 -3.40 0.32 0.00 -0.42 0.00 0.00 57.16 53.72 1b4c n GLU 62 Cb 0.69 -2.29 0.61 0.00 -0.57 0.00 0.00 31.44 29.88 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 2.04 0.30 0.00 1.62 3.58 0.03 -3.43 116.42 120.56 1b4c h ASP 63 Ca 0.58 0.11 0.00 0.00 0.42 0.00 0.00 57.03 58.15 1b4c h ASP 63 Cb 0.88 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1b4c h ASP 63 CO 1.50 -0.09 0.00 0.61 -2.88 0.00 0.00 179.24 178.38 1b4c n GLY 64 N -1.52 0.00 0.08 -0.78 0.00 -1.26 -4.49 105.19 97.22 1b4c n GLY 64 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 1b4c n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4c n ASP 65 N 0.00 1.36 0.00 1.61 -0.08 -1.26 -5.01 116.55 113.17 1b4c n ASP 65 Ca 0.00 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1b4c n ASP 65 Cb 0.00 0.73 0.00 0.00 2.34 0.00 0.00 41.12 44.19 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b4c n GLY 66 N 2.11 3.01 3.06 0.27 0.00 -1.26 -5.00 105.19 107.39 1b4c n GLY 66 Ca -0.26 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 -0.30 0.21 -0.22 1.61 8.01 -1.26 -4.88 118.70 121.88 1b4c s GLU 67 Ca 0.00 0.57 -0.09 0.00 0.01 0.00 0.00 54.97 55.46 1b4c s GLU 67 Cb 0.00 -0.11 -0.04 0.00 -4.31 0.00 0.00 34.13 29.67 1b4c s GLU 67 CO 0.00 -0.17 0.11 0.00 0.01 0.00 0.00 175.26 175.20 1b4c n ASP 69 N 4.15 0.16 0.07 0.00 5.68 -1.26 0.16 116.55 125.51 1b4c n ASP 69 Ca -0.16 -1.23 -0.10 0.00 -0.50 0.00 0.00 54.79 52.80 1b4c n ASP 69 Cb 0.52 -0.30 -0.01 0.00 -1.14 0.00 0.00 41.12 40.19 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 -1.02 0.45 -0.84 2.11 3.04 -1.96 -2.95 116.94 115.77 1b4c h PHE 70 Ca -0.13 -0.23 0.04 0.00 3.98 0.00 0.00 57.97 61.62 1b4c h PHE 70 Cb 0.40 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.81 1b4c h PHE 70 CO 0.00 1.03 0.55 0.37 -2.02 0.00 0.00 178.31 178.24 1b4c h GLN 71 N 0.18 1.01 0.00 1.11 4.15 -1.98 0.10 115.11 119.69 1b4c h GLN 71 Ca -0.05 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.25 1b4c h GLN 71 Cb 1.47 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 1b4c h GLN 71 CO 0.14 0.67 -0.26 0.93 -1.93 0.00 0.00 178.83 178.38 1b4c h GLU 72 N 1.04 0.00 -0.21 1.69 4.39 -1.91 -2.54 114.58 117.05 1b4c h GLU 72 Ca 0.33 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.83 1b4c h GLU 72 Cb 0.03 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1b4c h GLU 72 CO -0.10 0.26 -0.65 0.35 -1.16 0.00 0.00 179.01 177.72 1b4c h PHE 73 N 0.00 1.06 0.29 4.33 3.57 -0.66 -1.45 116.94 124.07 1b4c h PHE 73 Ca -0.00 -0.43 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 1b4c h PHE 73 Cb 0.79 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1b4c h PHE 73 CO 0.00 1.25 -0.14 0.52 -2.23 0.00 0.00 178.31 177.72 1b4c h MET 74 N 0.57 -0.37 -0.48 1.11 2.86 -1.07 0.92 114.93 118.46 1b4c h MET 74 Ca -0.02 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 1b4c h MET 74 Cb 1.27 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.95 1b4c h MET 74 CO 0.14 -0.05 0.09 0.00 1.06 0.00 0.00 176.91 178.15 1b4c h ALA 75 N -0.15 0.54 -0.24 6.32 0.00 -1.50 0.02 119.26 124.25 1b4c h ALA 75 Ca -0.04 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1b4c h ALA 75 Cb 0.49 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1b4c h ALA 75 CO 0.06 -0.31 -0.37 0.74 0.00 0.00 0.00 179.25 179.37 1b4c h PHE 76 N 0.23 0.64 -0.20 0.00 0.04 -1.24 -2.17 116.94 114.24 1b4c h PHE 76 Ca 0.24 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 1b4c h PHE 76 Cb 0.32 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1b4c h PHE 76 CO -0.23 0.84 -0.07 0.28 -0.60 0.00 0.00 178.31 178.53 1b4c h VAL 77 N 0.45 1.17 0.12 -0.55 2.07 0.14 -2.74 116.25 116.91 1b4c h VAL 77 Ca 0.04 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1b4c h VAL 77 Cb 0.86 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1b4c h VAL 77 CO 0.07 0.23 -0.06 0.28 0.02 0.00 0.00 177.57 178.11 1b4c h SER 78 N 0.29 -0.14 -1.01 0.57 0.02 -0.59 -1.99 113.55 110.70 1b4c h SER 78 Ca 0.06 -0.41 0.23 0.00 -0.84 0.00 0.00 61.79 60.82 1b4c h SER 78 Cb 0.32 0.04 -0.12 0.00 0.14 0.00 0.00 62.40 62.78 1b4c h SER 78 CO 0.01 0.41 0.60 0.24 -1.14 0.00 0.00 176.83 176.95 1b4c h MET 79 N -0.75 0.63 -0.03 3.45 2.07 -1.25 1.60 114.93 120.65 1b4c h MET 79 Ca -0.02 -0.04 -0.07 0.00 -2.07 0.00 0.00 59.70 57.51 1b4c h MET 79 Cb 0.54 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 1b4c h MET 79 CO 0.03 0.42 -0.25 0.28 1.07 0.00 0.00 176.91 178.45 1b4c h VAL 80 N 0.65 1.49 -0.71 -2.22 2.07 -1.51 0.16 116.25 116.17 1b4c h VAL 80 Ca 0.62 -1.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 1b4c h VAL 80 Cb 1.11 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 33.42 1b4c h VAL 80 CO -0.44 0.50 0.27 0.74 0.02 0.00 0.00 177.57 178.66 1b4c h THR 81 N -0.39 1.25 0.00 2.57 2.02 -0.41 -1.82 112.91 116.13 1b4c h THR 81 Ca -0.02 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 1b4c h THR 81 Cb 0.95 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1b4c h THR 81 CO 0.05 0.32 -0.06 0.71 0.37 0.00 0.00 175.52 176.91 1b4c h THR 82 N 1.03 0.12 -0.64 3.16 1.35 0.23 -3.01 112.91 115.15 1b4c h THR 82 Ca 0.24 -0.86 0.17 0.00 -0.55 0.00 0.00 66.41 65.40 1b4c h THR 82 Cb 0.24 1.77 -0.03 0.00 -1.73 0.00 0.00 68.15 68.39 1b4c h THR 82 CO -0.02 0.06 0.45 0.00 -0.25 0.00 0.00 175.52 175.76 1b4c h ALA 83 N 1.94 2.46 -2.72 6.62 0.00 0.22 -3.40 119.26 124.39 1b4c h ALA 83 Ca -0.00 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 54.39 1b4c h ALA 83 Cb 0.76 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.60 1b4c h ALA 83 CO 0.01 -0.64 0.47 0.00 0.00 0.00 0.00 179.25 179.09 1b4c n HIS 85 N 0.66 -1.38 -1.53 0.00 -0.00 -1.26 -4.41 115.22 107.30 1b4c n HIS 85 Ca 0.01 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.99 1b4c n HIS 85 Cb 0.46 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.19 1b4c n HIS 85 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1b4c n GLU 86 N -1.17 0.32 0.25 1.57 0.28 -1.26 -4.66 120.64 115.97 1b4c n GLU 86 Ca 0.00 -0.38 0.18 0.00 -0.16 0.00 0.00 57.16 56.80 1b4c n GLU 86 Cb 0.00 -2.40 0.89 0.00 1.43 0.00 0.00 31.44 31.36 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 12.46 0.00 -1.00 -1.84 -0.00 -1.93 -0.94 116.94 123.69 1b4c h PHE 87 Ca -0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.97 58.14 1b4c h PHE 87 Cb 1.10 0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 36.95 1b4c h PHE 87 CO 1.24 0.00 0.61 0.74 -0.00 0.00 0.00 178.31 180.89 1b4c h PHE 88 N 0.00 1.07 -0.50 6.09 0.04 -1.98 -2.72 116.94 118.95 1b4c h PHE 88 Ca 0.06 0.03 -0.72 0.00 2.80 0.00 0.00 57.97 60.14 1b4c h PHE 88 Cb 0.42 -0.33 -0.07 0.00 2.20 0.00 0.00 35.95 38.18 1b4c h PHE 88 CO 0.00 0.28 2.90 -1.91 -0.60 0.00 0.00 178.31 178.98 1b4c n GLU 89 N -4.74 3.40 -2.47 1.51 2.13 -0.36 -4.95 120.64 115.17 1b4c n GLU 89 Ca 0.22 -2.87 -0.42 0.00 0.66 0.00 0.00 57.16 54.75 1b4c n GLU 89 Cb 0.51 -3.03 -0.03 0.00 0.27 0.00 0.00 31.44 29.17 1b4c n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1b4c s HIS 90 N 1.78 3.21 -1.33 4.31 5.65 -1.03 -5.02 115.29 122.87 1b4c s HIS 90 Ca 0.50 1.23 0.00 0.00 0.25 0.00 0.00 55.06 57.04 1b4c s HIS 90 Cb 0.14 -3.41 0.00 0.00 -1.18 0.00 0.00 32.58 28.13 1b4c s HIS 90 CO -0.06 -1.27 0.33 0.39 -0.65 0.00 0.00 174.74 173.49