#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 1.68 0.38 7.83 1.04 -1.26 -4.68 113.70 118.70 1b4c s SER 1 Ca 0.00 1.75 0.08 0.00 0.48 0.00 0.00 55.95 58.26 1b4c s SER 1 Cb 0.00 -2.40 0.82 0.00 0.10 0.00 0.00 66.02 64.54 1b4c s SER 1 CO 0.00 -3.80 1.97 -0.08 0.98 0.00 0.00 173.24 172.31 1b4c h GLU 2 N -2.35 0.64 0.42 4.02 4.81 -2.06 -2.19 114.58 117.87 1b4c h GLU 2 Ca -0.55 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 1b4c h GLU 2 Cb 1.31 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1b4c h GLU 2 CO 0.47 0.42 -0.23 1.25 -0.73 0.00 0.00 179.01 180.20 1b4c h LEU 3 N 0.66 -0.55 -0.45 1.64 5.85 -1.99 -1.98 115.31 118.49 1b4c h LEU 3 Ca 0.30 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.11 1b4c h LEU 3 Cb 0.32 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1b4c h LEU 3 CO -0.10 -0.37 0.12 -0.33 -0.34 0.00 0.00 178.44 177.42 1b4c h GLU 4 N -0.60 0.26 -0.85 1.25 5.08 -1.77 0.22 114.58 118.16 1b4c h GLU 4 Ca -0.05 -0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.49 1b4c h GLU 4 Cb 0.48 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.55 1b4c h GLU 4 CO 0.07 0.17 0.34 -0.22 -1.00 0.00 0.00 179.01 178.38 1b4c h LYS 5 N 0.27 0.37 0.00 2.33 3.64 -1.11 0.11 116.57 122.18 1b4c h LYS 5 Ca 0.22 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 1b4c h LYS 5 Cb 0.25 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1b4c h LYS 5 CO -0.26 0.24 -0.83 0.00 -2.27 0.00 0.00 179.45 176.34 1b4c h ALA 6 N 1.68 0.50 -0.85 5.00 0.00 -0.36 -3.13 119.26 122.10 1b4c h ALA 6 Ca 0.52 -0.75 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1b4c h ALA 6 Cb 0.94 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1b4c h ALA 6 CO -0.52 1.04 0.55 1.98 0.00 0.00 0.00 179.25 182.30 1b4c h MET 7 N 0.00 1.04 -0.14 0.00 4.05 0.20 -1.02 114.93 119.07 1b4c h MET 7 Ca -0.01 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.23 1b4c h MET 7 Cb 1.60 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 32.15 1b4c h MET 7 CO 0.11 0.69 -0.43 0.28 0.23 0.00 0.00 176.91 177.79 1b4c h VAL 8 N 1.07 1.32 0.11 -5.77 2.07 -1.49 -3.11 116.25 110.45 1b4c h VAL 8 Ca 0.33 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1b4c h VAL 8 Cb -0.02 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1b4c h VAL 8 CO -0.11 0.48 -0.05 0.00 0.02 0.00 0.00 177.57 177.91 1b4c h ALA 9 N 1.29 -0.15 0.17 1.67 0.00 -1.16 -0.44 119.26 120.64 1b4c h ALA 9 Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1b4c h ALA 9 Cb 0.87 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1b4c h ALA 9 CO 0.07 -0.55 -0.43 -0.07 0.00 0.00 0.00 179.25 178.27 1b4c h LEU 10 N -0.23 -1.26 -1.09 0.00 4.07 -1.32 0.74 115.31 116.22 1b4c h LEU 10 Ca -0.02 0.13 0.05 0.00 0.08 0.00 0.00 57.88 58.13 1b4c h LEU 10 Cb 0.18 0.46 -0.06 0.00 1.08 0.00 0.00 40.66 42.33 1b4c h LEU 10 CO 0.03 -0.51 0.61 0.40 -1.08 0.00 0.00 178.44 177.89 1b4c h ILE 11 N -0.70 1.11 -0.26 1.22 2.04 -1.51 -1.93 117.51 117.48 1b4c h ILE 11 Ca 0.01 -0.38 -0.14 0.00 1.00 0.00 0.00 64.86 65.35 1b4c h ILE 11 Cb 0.70 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1b4c h ILE 11 CO -0.22 0.20 -0.40 0.44 0.00 0.00 0.00 178.15 178.17 1b4c h ASP 12 N 1.12 0.65 0.14 1.72 5.19 -0.26 -2.90 116.42 122.09 1b4c h ASP 12 Ca 0.39 -0.29 -0.15 0.00 -0.62 0.00 0.00 57.03 56.36 1b4c h ASP 12 Cb 0.12 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 1b4c h ASP 12 CO -0.14 0.98 -0.57 0.58 -3.12 0.00 0.00 179.24 176.97 1b4c h VAL 13 N 0.51 1.34 -0.37 -1.35 2.07 -0.27 -1.95 116.25 116.23 1b4c h VAL 13 Ca 0.04 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1b4c h VAL 13 Cb 0.91 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1b4c h VAL 13 CO 0.08 0.56 0.23 0.15 0.02 0.00 0.00 177.57 178.61 1b4c h PHE 14 N 0.34 0.47 -0.00 1.57 3.04 -1.27 -0.58 116.94 120.50 1b4c h PHE 14 Ca 0.00 0.01 -0.16 0.00 3.98 0.00 0.00 57.97 61.80 1b4c h PHE 14 Cb 1.09 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.42 1b4c h PHE 14 CO 0.04 0.31 -0.75 1.25 -2.02 0.00 0.00 178.31 177.14 1b4c h HIS 15 N 0.50 0.04 -0.61 0.41 2.76 -1.25 -3.14 115.15 113.86 1b4c h HIS 15 Ca 0.13 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.36 1b4c h HIS 15 Cb -0.03 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 28.86 1b4c h HIS 15 CO 0.00 0.76 0.27 0.37 -1.30 0.00 0.00 177.93 178.03 1b4c h GLN 16 N 0.02 0.47 -0.24 5.26 -0.00 -0.34 -1.98 115.11 118.30 1b4c h GLN 16 Ca -0.01 -0.03 -0.12 0.00 -0.00 0.00 0.00 58.65 58.49 1b4c h GLN 16 Cb 1.32 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 28.69 1b4c h GLN 16 CO 0.10 0.31 -0.32 1.88 0.00 0.00 0.00 178.83 180.80 1b4c h TYR 17 N 0.49 0.79 -1.97 3.99 -1.99 -1.56 -3.29 116.97 113.42 1b4c h TYR 17 Ca 0.30 -0.26 -0.79 0.00 2.00 0.00 0.00 58.73 59.98 1b4c h TYR 17 Cb 0.31 -0.16 -0.23 0.00 2.00 0.00 0.00 36.73 38.66 1b4c h TYR 17 CO -0.13 1.00 1.44 -1.13 -0.00 0.00 0.00 178.16 179.33 1b4c n SER 18 N -4.28 7.42 -0.01 3.88 3.41 -0.79 -4.36 113.62 118.88 1b4c n SER 18 Ca -0.05 -3.50 0.02 0.00 -0.26 0.00 0.00 58.87 55.08 1b4c n SER 18 Cb 0.49 -1.24 -0.01 0.00 -0.26 0.00 0.00 64.21 63.18 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 0.63 0.51 0.22 5.00 0.00 -0.91 -3.98 105.19 106.66 1b4c n GLY 19 Ca 0.50 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.43 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 0.07 0.21 0.00 1.61 0.11 -1.86 -3.42 114.38 111.10 1b4c h ARG 20 Ca 0.00 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.01 1b4c h ARG 20 Cb 0.08 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1b4c h ARG 20 CO 0.00 0.47 0.00 0.39 0.10 0.00 0.00 179.97 180.93 1b4c n GLU 21 N -4.16 0.00 -0.65 0.08 1.02 -1.26 -4.98 120.64 110.69 1b4c n GLU 21 Ca -0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.11 1b4c n GLU 21 Cb 0.37 -0.14 -0.01 0.00 -0.02 0.00 0.00 31.44 31.64 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 0.18 0.21 0.45 0.62 0.00 -1.26 -4.75 105.19 100.66 1b4c n GLY 22 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.70 -2.42 1.61 3.58 -1.93 -3.41 116.42 112.14 1b4c h ASP 23 Ca -0.05 0.21 -0.46 0.00 0.42 0.00 0.00 57.03 57.15 1b4c h ASP 23 Cb 0.50 0.68 0.09 0.00 1.72 0.00 0.00 39.33 42.33 1b4c h ASP 23 CO 0.07 -0.45 0.15 -1.59 -2.88 0.00 0.00 179.24 174.53 1b4c s LYS 24 N -5.72 1.55 -0.39 0.28 -2.85 -1.26 -5.02 119.74 106.33 1b4c s LYS 24 Ca -0.15 -1.01 0.07 0.00 -1.00 0.00 0.00 55.97 53.89 1b4c s LYS 24 Cb 0.08 -2.27 0.44 0.00 -2.06 0.00 0.00 37.83 34.02 1b4c s LYS 24 CO 0.62 -1.57 1.11 -2.39 0.10 0.00 0.00 175.35 173.22 1b4c n HIS 25 N -2.96 2.95 -4.13 1.78 1.44 -1.26 -5.03 115.22 108.01 1b4c n HIS 25 Ca 0.15 -2.84 -0.15 0.00 -2.01 0.00 0.00 57.72 52.87 1b4c n HIS 25 Cb 0.60 -0.18 -0.12 0.00 0.12 0.00 0.00 29.99 30.42 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 -3.52 0.59 0.01 -1.40 1.02 -1.26 -4.67 119.74 110.52 1b4c s LYS 26 Ca 0.46 -0.67 0.08 0.00 0.02 0.00 0.00 55.97 55.85 1b4c s LYS 26 Cb 0.41 -0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 1b4c s LYS 26 CO -0.11 0.10 -0.23 -1.17 -0.92 0.00 0.00 175.35 173.02 1b4c s LEU 27 N -1.27 2.11 0.32 3.17 2.96 0.14 -4.93 118.68 121.17 1b4c s LEU 27 Ca -0.05 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.30 1b4c s LEU 27 Cb -0.08 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 1b4c s LEU 27 CO 0.01 0.25 0.61 -0.54 -1.32 0.00 0.00 176.35 175.35 1b4c s LYS 28 N -0.89 3.67 0.25 1.98 1.02 -1.26 0.14 119.74 124.65 1b4c s LYS 28 Ca 0.09 0.11 -0.06 0.00 0.02 0.00 0.00 55.97 56.14 1b4c s LYS 28 Cb -0.09 -2.58 0.28 0.00 -0.52 0.00 0.00 37.83 34.91 1b4c s LYS 28 CO 0.01 0.15 1.92 1.57 -0.92 0.00 0.00 175.35 178.08 1b4c h LYS 29 N 1.57 1.28 -0.99 1.68 2.10 -1.89 -0.77 116.57 119.55 1b4c h LYS 29 Ca -0.48 -0.08 0.07 0.00 -2.00 0.00 0.00 60.65 58.17 1b4c h LYS 29 Cb 1.19 -0.29 -0.07 0.00 -0.90 0.00 0.00 32.23 32.16 1b4c h LYS 29 CO 0.65 0.85 0.64 0.66 -2.00 0.00 0.00 179.45 180.26 1b4c h SER 30 N 1.32 1.02 0.64 7.07 4.64 -1.93 0.44 113.55 126.74 1b4c h SER 30 Ca 0.38 0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.44 1b4c h SER 30 Cb -0.11 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 1b4c h SER 30 CO -0.09 0.64 -1.31 -0.33 -0.87 0.00 0.00 176.83 174.86 1b4c h GLU 31 N 1.15 0.19 -0.36 4.77 4.39 -1.84 -3.23 114.58 119.64 1b4c h GLU 31 Ca 0.43 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1b4c h GLU 31 Cb 0.20 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1b4c h GLU 31 CO -0.18 1.09 0.24 1.25 -1.16 0.00 0.00 179.01 180.25 1b4c h LEU 32 N 0.05 0.41 0.07 1.33 6.46 -0.54 -2.09 115.31 120.99 1b4c h LEU 32 Ca -0.15 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1b4c h LEU 32 Cb 1.95 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 41.73 1b4c h LEU 32 CO 0.17 0.29 -0.38 0.50 -0.62 0.00 0.00 178.44 178.40 1b4c h LYS 33 N 0.48 -0.56 -1.06 1.25 3.64 -0.99 0.14 116.57 119.48 1b4c h LYS 33 Ca 0.13 0.04 0.28 0.00 -1.27 0.00 0.00 60.65 59.83 1b4c h LYS 33 Cb -0.05 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 31.80 1b4c h LYS 33 CO -0.03 -0.37 0.68 0.93 -2.27 0.00 0.00 179.45 178.39 1b4c h GLU 34 N -0.58 0.34 -0.62 1.90 5.08 -1.50 0.44 114.58 119.64 1b4c h GLU 34 Ca 0.04 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1b4c h GLU 34 Cb 0.63 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1b4c h GLU 34 CO -0.25 0.23 0.01 1.25 -1.00 0.00 0.00 179.01 179.24 1b4c h LEU 35 N 0.35 1.06 -0.81 1.33 5.85 -0.07 -2.76 115.31 120.26 1b4c h LEU 35 Ca 0.60 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1b4c h LEU 35 Cb 1.59 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1b4c h LEU 35 CO -0.28 1.10 0.35 0.40 -0.34 0.00 0.00 178.44 179.66 1b4c h ILE 36 N 0.99 1.26 0.00 4.05 2.04 0.94 0.70 117.51 127.48 1b4c h ILE 36 Ca 0.18 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1b4c h ILE 36 Cb 0.55 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1b4c h ILE 36 CO 0.03 0.33 -0.02 -1.13 0.00 0.00 0.00 178.15 177.36 1b4c h ASN 37 N 1.16 0.00 0.00 1.72 -0.00 -1.05 -1.90 115.58 115.51 1b4c h ASN 37 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.57 1b4c h ASN 37 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.50 1b4c h ASN 37 CO -0.03 0.02 -1.11 0.59 -0.00 0.00 0.00 177.43 176.91 1b4c n ASN 38 N -3.83 2.77 -0.01 1.15 3.02 -1.00 -4.30 115.26 113.05 1b4c n ASN 38 Ca -0.03 -0.14 0.06 0.00 -0.03 0.00 0.00 54.58 54.44 1b4c n ASN 38 Cb 0.11 1.25 -0.14 0.00 -0.61 0.00 0.00 39.78 40.39 1b4c n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1b4c n GLU 39 N -1.62 0.66 -0.56 3.52 1.02 0.21 -4.36 120.64 119.51 1b4c n GLU 39 Ca -0.01 -0.09 0.06 0.00 -0.02 0.00 0.00 57.16 57.11 1b4c n GLU 39 Cb 0.16 -1.58 0.20 0.00 -0.02 0.00 0.00 31.44 30.20 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 -2.46 2.70 0.18 -4.62 4.77 -0.72 -4.71 117.00 112.14 1b4c n LEU 40 Ca -0.10 -3.84 0.04 0.00 -0.03 0.00 0.00 56.01 52.09 1b4c n LEU 40 Cb 0.70 -0.52 0.28 0.00 -2.33 0.00 0.00 43.42 41.55 1b4c n LEU 40 CO 0.44 1.35 0.63 0.28 -1.33 0.00 0.00 177.39 178.76 1b4c h SER 41 N 0.92 0.00 0.07 -1.43 0.02 -1.75 -2.69 113.55 108.68 1b4c h SER 41 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1b4c h SER 41 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1b4c h SER 41 CO 0.01 0.43 -0.03 -0.74 -1.14 0.00 0.00 176.83 175.35 1b4c h HIS 42 N 0.00 -0.08 0.00 3.45 -0.00 -1.91 -3.18 115.15 113.43 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 0.98 0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.41 1b4c h HIS 42 CO 0.00 0.50 -0.06 0.74 -0.00 0.00 0.00 177.93 179.10 1b4c h PHE 43 N -0.79 0.00 -1.11 5.26 0.04 -1.92 -2.39 116.94 116.03 1b4c h PHE 43 Ca -0.01 0.00 0.32 0.00 2.80 0.00 0.00 57.97 61.08 1b4c h PHE 43 Cb 0.62 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.71 1b4c h PHE 43 CO 0.13 0.06 0.79 1.25 -0.60 0.00 0.00 178.31 179.95 1b4c h LEU 44 N 0.00 0.07 -0.24 1.54 7.12 -1.45 0.66 115.31 123.01 1b4c h LEU 44 Ca -0.00 0.01 -0.21 0.00 0.13 0.00 0.00 57.88 57.81 1b4c h LEU 44 Cb 0.25 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.39 1b4c h LEU 44 CO 0.01 0.01 -0.71 -0.33 -0.13 0.00 0.00 178.44 177.29 1b4c h GLU 45 N 0.06 0.77 -2.66 1.25 5.08 -1.59 -3.27 114.58 114.21 1b4c h GLU 45 Ca 0.54 -0.58 -0.65 0.00 -1.00 0.00 0.00 59.36 57.68 1b4c h GLU 45 Cb 2.05 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 31.34 1b4c h GLU 45 CO -0.05 1.20 2.57 0.39 -1.00 0.00 0.00 179.01 182.11 1b4c n GLU 46 N -3.94 3.84 -4.42 2.33 1.02 0.23 -4.89 120.64 114.81 1b4c n GLU 46 Ca -0.06 -2.66 -0.28 0.00 -0.02 0.00 0.00 57.16 54.14 1b4c n GLU 46 Cb 0.71 -2.60 -0.13 0.00 -0.02 0.00 0.00 31.44 29.40 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 0.22 2.07 0.02 -3.67 -1.09 -1.24 -3.75 121.20 113.76 1b4c s ILE 47 Ca 0.62 -1.63 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 1b4c s ILE 47 Cb 0.21 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 39.26 1b4c s ILE 47 CO -0.08 0.08 0.00 1.17 -1.23 0.00 0.00 174.94 174.88 1b4c n LYS 48 N 1.09 0.00 -1.03 2.79 4.81 -1.26 -4.89 118.16 119.67 1b4c n LYS 48 Ca -0.18 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 56.95 1b4c n LYS 48 Cb 0.53 -0.01 -0.02 0.00 0.02 0.00 0.00 35.03 35.55 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 -2.58 2.48 -0.09 1.64 1.02 -1.26 -4.65 120.64 117.20 1b4c n GLU 49 Ca 0.00 -1.80 0.24 0.00 -0.02 0.00 0.00 57.16 55.58 1b4c n GLU 49 Cb 0.01 -2.68 0.51 0.00 -0.02 0.00 0.00 31.44 29.26 1b4c n GLU 49 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1b4c h GLN 50 N 6.18 0.00 0.00 3.49 4.20 -1.95 1.67 115.11 128.71 1b4c h GLN 50 Ca 0.59 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.26 1b4c h GLN 50 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1b4c h GLN 50 CO 1.65 0.00 -0.18 0.93 -0.67 0.00 0.00 178.83 180.56 1b4c h GLU 51 N 0.00 0.00 0.01 1.46 5.08 -1.99 -1.53 114.58 117.60 1b4c h GLU 51 Ca 0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1b4c h GLU 51 Cb 2.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.57 1b4c h GLU 51 CO -0.00 0.18 -0.00 0.28 -1.00 0.00 0.00 179.01 178.46 1b4c h VAL 52 N 0.00 1.56 -0.31 3.13 2.07 0.21 -2.77 116.25 120.14 1b4c h VAL 52 Ca -0.00 -1.74 -0.03 0.00 0.82 0.00 0.00 66.70 65.75 1b4c h VAL 52 Cb 0.83 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 1b4c h VAL 52 CO 0.02 0.45 0.06 0.58 0.02 0.00 0.00 177.57 178.70 1b4c h VAL 53 N -0.76 1.16 -0.55 2.57 2.07 -1.53 -2.19 116.25 117.02 1b4c h VAL 53 Ca -0.00 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1b4c h VAL 53 Cb 0.74 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1b4c h VAL 53 CO 0.00 0.20 0.36 0.44 0.02 0.00 0.00 177.57 178.59 1b4c h ASP 54 N 0.45 0.63 0.67 0.57 5.19 -1.26 -1.75 116.42 120.92 1b4c h ASP 54 Ca 0.11 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.44 1b4c h ASP 54 Cb 0.19 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1b4c h ASP 54 CO -0.00 0.45 -0.29 0.11 -3.12 0.00 0.00 179.24 176.39 1b4c h LYS 55 N 0.74 0.00 0.54 3.56 1.57 -1.11 -2.96 116.57 118.91 1b4c h LYS 55 Ca 0.20 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1b4c h LYS 55 Cb -0.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.23 1b4c h LYS 55 CO -0.04 0.29 -0.26 0.28 -0.57 0.00 0.00 179.45 179.15 1b4c h VAL 56 N 0.00 0.40 -0.35 0.50 2.07 -0.79 0.15 116.25 118.23 1b4c h VAL 56 Ca -0.00 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 67.34 1b4c h VAL 56 Cb 0.70 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1b4c h VAL 56 CO 0.04 0.04 0.40 0.24 0.02 0.00 0.00 177.57 178.31 1b4c h MET 57 N -0.91 0.00 0.08 1.57 2.86 -1.37 0.12 114.93 117.28 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 0.62 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1b4c h MET 57 CO 0.12 0.00 -1.56 0.93 1.06 0.00 0.00 176.91 177.46 1b4c h GLU 58 N 0.00 0.18 -0.16 1.72 5.08 -1.25 -2.55 114.58 117.60 1b4c h GLU 58 Ca 0.17 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1b4c h GLU 58 Cb 0.97 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1b4c h GLU 58 CO -0.00 0.99 -0.05 1.79 -1.00 0.00 0.00 179.01 180.74 1b4c h THR 59 N 0.05 1.30 0.65 1.13 1.35 0.18 0.10 112.91 117.66 1b4c h THR 59 Ca -0.25 -1.04 -0.03 0.00 -0.55 0.00 0.00 66.41 64.55 1b4c h THR 59 Cb 1.99 1.66 0.01 0.00 -1.73 0.00 0.00 68.15 70.08 1b4c h THR 59 CO 0.13 0.31 -0.31 -0.07 -0.25 0.00 0.00 175.52 175.33 1b4c h LEU 60 N -0.00 -0.74 -1.90 3.87 4.07 -1.28 -1.09 115.31 118.24 1b4c h LEU 60 Ca 0.04 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.10 1b4c h LEU 60 Cb 0.49 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1b4c h LEU 60 CO 0.02 -0.48 0.46 0.44 -1.08 0.00 0.00 178.44 177.80 1b4c h ASP 61 N -0.94 0.00 -1.13 -0.43 5.19 -1.43 0.24 116.42 117.92 1b4c h ASP 61 Ca -0.09 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.64 1b4c h ASP 61 Cb 0.69 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 39.90 1b4c h ASP 61 CO 0.15 0.00 0.79 -0.62 -3.12 0.00 0.00 179.24 176.43 1b4c n GLU 62 N -3.47 2.76 -0.43 3.56 -0.58 0.35 -4.70 120.64 118.14 1b4c n GLU 62 Ca 0.06 -3.39 0.36 0.00 -0.42 0.00 0.00 57.16 53.76 1b4c n GLU 62 Cb 0.61 -2.29 0.65 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.23 0.00 1.62 3.58 -0.30 -3.43 116.42 120.28 1b4c h ASP 63 Ca 0.59 0.10 0.00 0.00 0.42 0.00 0.00 57.03 58.13 1b4c h ASP 63 Cb 0.74 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1b4c h ASP 63 CO 1.52 -0.09 0.00 0.61 -2.88 0.00 0.00 179.24 178.40 1b4c n GLY 64 N -1.58 0.00 0.08 -0.78 0.00 -1.26 -4.45 105.19 97.20 1b4c n GLY 64 Ca 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 1.30 0.00 1.61 5.68 -1.26 -5.02 116.55 118.86 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 0.74 0.00 0.00 -1.14 0.00 0.00 41.12 40.72 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 2.10 2.69 3.09 6.12 0.00 -1.26 -5.02 105.19 112.91 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 -1.83 0.00 0.00 0.00 173.32 171.49 1b4c s GLU 67 N -0.33 0.23 -0.23 1.61 -1.05 -1.26 -4.87 118.70 112.81 1b4c s GLU 67 Ca 0.00 0.59 -0.09 0.00 -0.15 0.00 0.00 54.97 55.31 1b4c s GLU 67 Cb 0.00 -0.10 -0.05 0.00 -0.44 0.00 0.00 34.13 33.55 1b4c s GLU 67 CO 0.00 -0.17 0.13 0.00 0.95 0.00 0.00 175.26 176.17 1b4c n ASP 69 N 4.26 0.20 0.08 0.00 2.03 -1.26 0.28 116.55 122.13 1b4c n ASP 69 Ca -0.15 -1.31 -0.09 0.00 0.52 0.00 0.00 54.79 53.75 1b4c n ASP 69 Cb 0.52 -0.44 0.01 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.40 -0.75 -0.67 3.04 -1.95 -2.95 116.94 112.90 1b4c h PHE 70 Ca -0.19 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 61.56 1b4c h PHE 70 Cb 0.57 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.99 1b4c h PHE 70 CO 0.00 0.98 0.48 1.96 -2.02 0.00 0.00 178.31 179.71 1b4c h GLN 71 N 0.17 1.00 0.00 1.11 1.08 -1.99 -0.68 115.11 115.81 1b4c h GLN 71 Ca -0.04 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.01 1b4c h GLN 71 Cb 1.42 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 1b4c h GLN 71 CO 0.13 0.68 -0.37 0.93 -0.95 0.00 0.00 178.83 179.25 1b4c h GLU 72 N 1.03 0.00 -0.06 1.46 5.08 -1.91 -2.90 114.58 117.29 1b4c h GLU 72 Ca 0.27 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.42 1b4c h GLU 72 Cb -0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.18 1b4c h GLU 72 CO -0.06 0.37 -0.79 0.35 -1.00 0.00 0.00 179.01 177.89 1b4c h PHE 73 N 0.00 0.91 -0.11 4.33 3.57 -1.00 -2.76 116.94 121.87 1b4c h PHE 73 Ca -0.00 -0.45 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 1b4c h PHE 73 Cb 0.92 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 1b4c h PHE 73 CO 0.00 1.28 0.03 1.98 -2.23 0.00 0.00 178.31 179.36 1b4c h MET 74 N 0.28 0.17 -0.82 1.11 4.05 -1.23 -1.52 114.93 116.98 1b4c h MET 74 Ca -0.08 -0.04 0.14 0.00 -0.28 0.00 0.00 59.70 59.44 1b4c h MET 74 Cb 1.45 -0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 32.13 1b4c h MET 74 CO 0.16 0.34 0.40 0.00 0.23 0.00 0.00 176.91 178.04 1b4c h ALA 75 N 0.83 1.22 -0.07 0.39 0.00 -1.56 0.21 119.26 120.27 1b4c h ALA 75 Ca 0.03 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1b4c h ALA 75 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1b4c h ALA 75 CO 0.00 -0.12 -0.49 0.74 0.00 0.00 0.00 179.25 179.38 1b4c h PHE 76 N 0.58 0.23 -0.29 0.00 0.04 -1.22 -2.67 116.94 113.62 1b4c h PHE 76 Ca 0.45 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 61.08 1b4c h PHE 76 Cb 0.64 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 1b4c h PHE 76 CO -0.11 0.65 -0.10 0.28 -0.60 0.00 0.00 178.31 178.43 1b4c h VAL 77 N 0.15 1.22 0.17 -0.55 2.07 0.07 -2.68 116.25 116.70 1b4c h VAL 77 Ca 0.01 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1b4c h VAL 77 Cb 0.93 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1b4c h VAL 77 CO 0.07 0.31 -0.08 0.77 0.02 0.00 0.00 177.57 178.66 1b4c h SER 78 N 0.45 -0.20 -1.00 0.57 4.64 -1.04 -1.86 113.55 115.11 1b4c h SER 78 Ca 0.09 -0.34 0.21 0.00 -0.47 0.00 0.00 61.79 61.28 1b4c h SER 78 Cb 0.45 0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 62.48 1b4c h SER 78 CO 0.02 0.31 0.61 0.24 -0.87 0.00 0.00 176.83 177.15 1b4c h MET 79 N -0.80 0.66 -0.01 4.77 2.07 -1.43 0.96 114.93 121.16 1b4c h MET 79 Ca -0.02 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.55 1b4c h MET 79 Cb 0.52 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 1b4c h MET 79 CO 0.04 0.44 -0.04 0.28 1.07 0.00 0.00 176.91 178.69 1b4c h VAL 80 N 0.68 1.55 -0.73 -2.22 2.07 -1.50 -1.58 116.25 114.53 1b4c h VAL 80 Ca 0.59 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1b4c h VAL 80 Cb 1.02 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 33.43 1b4c h VAL 80 CO -0.38 0.44 0.34 0.74 0.02 0.00 0.00 177.57 178.74 1b4c h THR 81 N -0.65 1.24 0.00 2.57 2.02 -0.50 -0.97 112.91 116.62 1b4c h THR 81 Ca -0.00 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1b4c h THR 81 Cb 0.75 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1b4c h THR 81 CO 0.01 0.28 -0.04 0.71 0.37 0.00 0.00 175.52 176.85 1b4c h THR 82 N 1.02 0.14 0.00 3.16 1.35 0.89 -1.82 112.91 117.65 1b4c h THR 82 Ca 0.25 -0.49 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1b4c h THR 82 Cb 0.13 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1b4c h THR 82 CO -0.03 0.04 -0.01 0.00 -0.25 0.00 0.00 175.52 175.27 1b4c h ALA 83 N 1.96 1.00 -2.45 6.62 0.00 -0.12 -3.44 119.26 122.84 1b4c h ALA 83 Ca -0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 1b4c h ALA 83 Cb 0.42 -0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.28 1b4c h ALA 83 CO 0.01 0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.66 1b4c n HIS 85 N -1.81 -3.47 -1.50 0.00 8.25 -1.25 -4.53 115.22 110.92 1b4c n HIS 85 Ca 0.10 0.17 -0.42 0.00 -0.26 0.00 0.00 57.72 57.31 1b4c n HIS 85 Cb 0.52 -1.62 -0.08 0.00 1.12 0.00 0.00 29.99 29.93 1b4c n HIS 85 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1b4c n GLU 86 N 1.15 0.69 0.30 -0.41 4.71 -1.26 -4.73 120.64 121.08 1b4c n GLU 86 Ca 0.03 0.08 0.17 0.00 -0.01 0.00 0.00 57.16 57.43 1b4c n GLU 86 Cb 0.53 -2.48 0.96 0.00 -1.01 0.00 0.00 31.44 29.44 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 14.84 0.00 -0.97 -0.32 -5.15 -1.95 -2.25 116.94 121.15 1b4c h PHE 87 Ca -0.18 0.00 0.19 0.00 -0.20 0.00 0.00 57.97 57.77 1b4c h PHE 87 Cb 1.30 0.00 -0.11 0.00 0.22 0.00 0.00 35.95 37.36 1b4c h PHE 87 CO 1.00 0.02 0.56 0.74 -2.00 0.00 0.00 178.31 178.63 1b4c h PHE 88 N 0.00 0.98 -2.18 6.09 0.04 -1.99 -1.59 116.94 118.29 1b4c h PHE 88 Ca -0.00 0.03 -0.80 0.00 2.80 0.00 0.00 57.97 60.01 1b4c h PHE 88 Cb 0.07 -0.29 -0.27 0.00 2.20 0.00 0.00 35.95 37.66 1b4c h PHE 88 CO 0.00 0.19 1.02 0.39 -0.60 0.00 0.00 178.31 179.31 1b4c n GLU 89 N -4.82 4.74 -1.56 1.51 4.71 -0.85 -4.96 120.64 119.42 1b4c n GLU 89 Ca 0.22 -4.38 -0.13 0.00 -0.01 0.00 0.00 57.16 52.86 1b4c n GLU 89 Cb 0.56 -2.42 -0.07 0.00 -1.01 0.00 0.00 31.44 28.51 1b4c n GLU 89 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1b4c s HIS 90 N -4.26 1.12 0.00 -0.32 2.46 -0.60 -4.99 115.29 108.70 1b4c s HIS 90 Ca 0.42 2.02 0.00 0.00 0.47 0.00 0.00 55.06 57.98 1b4c s HIS 90 Cb 0.26 -3.42 0.00 0.00 -0.13 0.00 0.00 32.58 29.28 1b4c s HIS 90 CO -0.20 -1.57 0.00 -1.91 -2.47 0.00 0.00 174.74 168.59