#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 1.52 0.44 3.17 1.04 -1.26 -4.78 113.70 113.83 1b4c s SER 1 Ca 0.00 1.57 0.13 0.00 0.48 0.00 0.00 55.95 58.13 1b4c s SER 1 Cb 0.00 -2.28 1.03 0.00 0.10 0.00 0.00 66.02 64.86 1b4c s SER 1 CO 0.00 -3.87 2.02 -0.33 0.98 0.00 0.00 173.24 172.03 1b4c h GLU 2 N -2.40 0.37 -0.47 4.02 5.08 -2.06 -1.64 114.58 117.47 1b4c h GLU 2 Ca -0.58 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.73 1b4c h GLU 2 Cb 1.32 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1b4c h GLU 2 CO 0.50 0.25 0.17 1.25 -1.00 0.00 0.00 179.01 180.18 1b4c h LEU 3 N 0.39 0.67 -0.49 1.33 6.46 -2.00 -2.71 115.31 118.96 1b4c h LEU 3 Ca 0.22 -0.19 0.09 0.00 -0.12 0.00 0.00 57.88 57.88 1b4c h LEU 3 Cb 0.36 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.03 1b4c h LEU 3 CO -0.05 0.68 0.04 -0.33 -0.62 0.00 0.00 178.44 178.16 1b4c h GLU 4 N 0.63 0.15 -0.88 1.25 5.08 -1.61 0.81 114.58 120.01 1b4c h GLU 4 Ca 0.16 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.69 1b4c h GLU 4 Cb 0.24 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.34 1b4c h GLU 4 CO -0.01 0.10 0.42 0.87 -1.00 0.00 0.00 179.01 179.40 1b4c h LYS 5 N 0.16 0.50 0.00 2.33 1.57 -1.39 -0.15 116.57 119.59 1b4c h LYS 5 Ca 0.25 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.82 1b4c h LYS 5 Cb 0.36 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1b4c h LYS 5 CO -0.38 0.33 -0.83 0.00 -0.57 0.00 0.00 179.45 178.01 1b4c h ALA 6 N 1.64 0.62 -0.15 3.86 0.00 -0.79 -1.93 119.26 122.50 1b4c h ALA 6 Ca 0.52 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1b4c h ALA 6 Cb 0.87 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1b4c h ALA 6 CO -0.44 1.03 0.07 0.52 0.00 0.00 0.00 179.25 180.43 1b4c h MET 7 N 0.00 0.22 -0.31 0.00 2.86 0.91 -0.62 114.93 117.99 1b4c h MET 7 Ca -0.01 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 1b4c h MET 7 Cb 1.48 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.09 1b4c h MET 7 CO 0.11 0.28 -0.32 0.28 1.06 0.00 0.00 176.91 178.31 1b4c h VAL 8 N 0.11 1.28 -0.28 -2.22 2.07 -1.45 -2.95 116.25 112.82 1b4c h VAL 8 Ca 0.05 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.14 1b4c h VAL 8 Cb 0.13 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1b4c h VAL 8 CO -0.01 0.47 0.11 0.00 0.02 0.00 0.00 177.57 178.16 1b4c h ALA 9 N 1.07 0.32 -0.97 1.67 0.00 -1.00 -1.04 119.26 119.30 1b4c h ALA 9 Ca 0.06 0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.28 1b4c h ALA 9 Cb 0.83 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.48 1b4c h ALA 9 CO 0.07 -0.30 0.51 -0.07 0.00 0.00 0.00 179.25 179.47 1b4c h LEU 10 N 0.24 0.47 -0.60 0.00 3.38 -0.94 1.24 115.31 119.09 1b4c h LEU 10 Ca 0.12 0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 1b4c h LEU 10 Cb 0.07 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1b4c h LEU 10 CO -0.11 -0.06 0.07 0.40 0.09 0.00 0.00 178.44 178.83 1b4c h ILE 11 N 0.38 1.26 -0.39 1.22 2.04 -1.22 0.28 117.51 121.09 1b4c h ILE 11 Ca 0.67 -1.04 0.08 0.00 1.00 0.00 0.00 64.86 65.57 1b4c h ILE 11 Cb 1.42 0.76 -0.09 0.00 -0.74 0.00 0.00 36.82 38.17 1b4c h ILE 11 CO -0.57 0.38 -0.23 -0.78 0.00 0.00 0.00 178.15 176.95 1b4c h ASP 12 N 0.91 -0.76 0.51 1.72 1.82 0.22 0.48 116.42 121.32 1b4c h ASP 12 Ca 0.18 0.16 -0.22 0.00 -0.39 0.00 0.00 57.03 56.76 1b4c h ASP 12 Cb 0.46 0.39 -0.00 0.00 0.68 0.00 0.00 39.33 40.86 1b4c h ASP 12 CO 0.02 -0.25 -0.96 0.58 -1.61 0.00 0.00 179.24 177.01 1b4c h VAL 13 N -0.16 1.47 -0.36 2.25 2.07 -1.17 -1.95 116.25 118.39 1b4c h VAL 13 Ca 0.19 -2.64 -0.08 0.00 0.82 0.00 0.00 66.70 64.99 1b4c h VAL 13 Cb 0.46 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1b4c h VAL 13 CO -0.48 0.78 -0.09 0.15 0.02 0.00 0.00 177.57 177.94 1b4c h PHE 14 N 0.15 0.66 0.03 1.57 3.04 -0.30 -2.75 116.94 119.33 1b4c h PHE 14 Ca -0.07 -0.10 -0.23 0.00 3.98 0.00 0.00 57.97 61.55 1b4c h PHE 14 Cb 1.61 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.92 1b4c h PHE 14 CO 0.05 0.69 -1.07 1.25 -2.02 0.00 0.00 178.31 177.21 1b4c h HIS 15 N 0.57 0.13 -0.65 0.41 2.76 -0.94 -3.09 115.15 114.33 1b4c h HIS 15 Ca 0.10 -0.09 0.10 0.00 -2.20 0.00 0.00 60.37 58.28 1b4c h HIS 15 Cb 0.50 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.38 1b4c h HIS 15 CO 0.02 1.07 0.26 0.37 -1.30 0.00 0.00 177.93 178.36 1b4c h GLN 16 N 0.02 0.44 -0.04 5.26 -0.00 -1.05 0.29 115.11 120.04 1b4c h GLN 16 Ca -0.04 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.54 1b4c h GLN 16 Cb 1.82 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 29.21 1b4c h GLN 16 CO 0.15 0.29 -0.14 1.88 0.00 0.00 0.00 178.83 181.01 1b4c h TYR 17 N 0.45 0.21 -2.07 3.99 -1.99 -1.62 -3.31 116.97 112.64 1b4c h TYR 17 Ca 0.33 -0.09 -0.80 0.00 2.00 0.00 0.00 58.73 60.17 1b4c h TYR 17 Cb 0.40 -0.04 -0.24 0.00 2.00 0.00 0.00 36.73 38.85 1b4c h TYR 17 CO -0.15 0.77 1.29 0.43 -0.00 0.00 0.00 178.16 180.50 1b4c n SER 18 N -4.62 7.44 -0.00 3.88 7.64 -0.89 -4.36 113.62 122.71 1b4c n SER 18 Ca -0.08 -3.57 0.00 0.00 1.01 0.00 0.00 58.87 56.22 1b4c n SER 18 Cb 0.40 -1.21 -0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1b4c n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b4c n GLY 19 N 0.34 0.74 0.23 0.23 0.00 0.04 -3.93 105.19 102.84 1b4c n GLY 19 Ca 0.49 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 0.06 0.00 1.61 3.08 -1.84 -3.41 114.38 113.88 1b4c h ARG 20 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1b4c h ARG 20 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1b4c h ARG 20 CO 0.00 0.22 0.00 0.39 -1.07 0.00 0.00 179.97 179.51 1b4c n GLU 21 N -4.32 0.00 -0.73 0.04 1.02 -1.26 -4.98 120.64 110.42 1b4c n GLU 21 Ca -0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.09 1b4c n GLU 21 Cb 0.25 -0.15 -0.01 0.00 -0.02 0.00 0.00 31.44 31.50 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 0.31 0.31 0.44 0.62 0.00 -1.25 -4.74 105.19 100.88 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 -1.66 -3.03 1.61 3.58 -1.93 -3.40 116.42 111.58 1b4c h ASP 23 Ca -0.07 0.22 -0.46 0.00 0.42 0.00 0.00 57.03 57.14 1b4c h ASP 23 Cb 0.43 0.68 0.11 0.00 1.72 0.00 0.00 39.33 42.27 1b4c h ASP 23 CO 0.10 -0.43 0.23 -0.54 -2.88 0.00 0.00 179.24 175.71 1b4c s LYS 24 N -5.74 1.44 -0.36 0.28 1.02 -1.26 -5.01 119.74 110.10 1b4c s LYS 24 Ca -0.15 -0.74 0.09 0.00 0.02 0.00 0.00 55.97 55.20 1b4c s LYS 24 Cb 0.09 -2.15 0.45 0.00 -0.52 0.00 0.00 37.83 35.70 1b4c s LYS 24 CO 0.63 -1.72 1.11 0.72 -0.92 0.00 0.00 175.35 175.17 1b4c n HIS 25 N -3.15 2.65 -4.14 3.18 8.25 -1.26 -5.04 115.22 115.71 1b4c n HIS 25 Ca 0.14 -2.71 -0.17 0.00 -0.26 0.00 0.00 57.72 54.72 1b4c n HIS 25 Cb 0.60 -0.22 -0.12 0.00 1.12 0.00 0.00 29.99 31.38 1b4c n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1b4c s LYS 26 N -3.52 0.72 0.04 -0.41 1.02 -1.26 -4.68 119.74 111.64 1b4c s LYS 26 Ca 0.43 -0.86 0.06 0.00 0.02 0.00 0.00 55.97 55.63 1b4c s LYS 26 Cb 0.40 -0.64 -0.02 0.00 -0.52 0.00 0.00 37.83 37.05 1b4c s LYS 26 CO -0.07 0.14 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.14 1b4c s LEU 27 N -1.62 2.15 0.30 3.17 2.96 0.36 -4.93 118.68 121.07 1b4c s LEU 27 Ca -0.04 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 1b4c s LEU 27 Cb -0.10 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.68 1b4c s LEU 27 CO 0.02 0.13 0.52 -0.54 -1.32 0.00 0.00 176.35 175.16 1b4c s LYS 28 N -1.08 3.53 0.24 1.98 1.02 -1.26 0.27 119.74 124.44 1b4c s LYS 28 Ca 0.06 -0.24 -0.06 0.00 0.02 0.00 0.00 55.97 55.74 1b4c s LYS 28 Cb -0.08 -2.69 0.24 0.00 -0.52 0.00 0.00 37.83 34.77 1b4c s LYS 28 CO 0.01 0.22 1.90 1.57 -0.92 0.00 0.00 175.35 178.13 1b4c h LYS 29 N 1.26 1.30 -0.93 1.68 2.10 -1.90 -1.25 116.57 118.82 1b4c h LYS 29 Ca -0.49 -0.11 0.04 0.00 -2.00 0.00 0.00 60.65 58.09 1b4c h LYS 29 Cb 1.21 -0.28 -0.06 0.00 -0.90 0.00 0.00 32.23 32.20 1b4c h LYS 29 CO 0.64 0.89 0.60 0.66 -2.00 0.00 0.00 179.45 180.24 1b4c h SER 30 N 1.32 1.00 0.10 7.07 4.64 -1.94 -0.45 113.55 125.30 1b4c h SER 30 Ca 0.35 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.40 1b4c h SER 30 Cb -0.09 -0.22 0.03 0.00 -0.31 0.00 0.00 62.40 61.80 1b4c h SER 30 CO -0.07 0.68 -1.09 -0.33 -0.87 0.00 0.00 176.83 175.16 1b4c h GLU 31 N 1.16 0.56 -0.68 4.77 5.08 -1.88 -3.23 114.58 120.37 1b4c h GLU 31 Ca 0.37 -0.74 0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1b4c h GLU 31 Cb 0.02 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 1b4c h GLU 31 CO -0.13 1.32 0.34 1.25 -1.00 0.00 0.00 179.01 180.79 1b4c h LEU 32 N 0.14 0.44 -0.11 1.33 6.46 -0.91 -2.02 115.31 120.64 1b4c h LEU 32 Ca -0.16 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.69 1b4c h LEU 32 Cb 1.78 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 41.63 1b4c h LEU 32 CO 0.21 0.27 -0.36 0.50 -0.62 0.00 0.00 178.44 178.43 1b4c h LYS 33 N 0.59 -0.44 -1.08 1.25 3.64 -1.10 0.13 116.57 119.56 1b4c h LYS 33 Ca 0.33 0.03 0.29 0.00 -1.27 0.00 0.00 60.65 60.03 1b4c h LYS 33 Cb 0.32 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.15 1b4c h LYS 33 CO -0.25 -0.29 0.71 1.49 -2.27 0.00 0.00 179.45 178.84 1b4c h GLU 34 N -0.45 0.30 -0.32 1.90 4.81 -1.41 0.20 114.58 119.62 1b4c h GLU 34 Ca 0.08 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1b4c h GLU 34 Cb 0.59 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1b4c h GLU 34 CO -0.36 0.20 -0.10 -0.07 -0.73 0.00 0.00 179.01 177.95 1b4c h LEU 35 N 0.31 0.64 -1.43 1.64 -0.00 -0.52 -2.76 115.31 113.20 1b4c h LEU 35 Ca 0.61 -0.38 0.13 0.00 -0.00 0.00 0.00 57.88 58.24 1b4c h LEU 35 Cb 1.70 -0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 42.12 1b4c h LEU 35 CO -0.26 0.88 0.53 0.40 -0.00 0.00 0.00 178.44 179.98 1b4c h ILE 36 N 0.41 0.84 -0.32 1.22 2.04 0.07 0.57 117.51 122.34 1b4c h ILE 36 Ca 0.08 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 1b4c h ILE 36 Cb 0.61 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1b4c h ILE 36 CO 0.04 0.11 -0.20 -1.13 0.00 0.00 0.00 178.15 176.96 1b4c h ASN 37 N 0.58 0.61 0.00 1.72 -0.73 -1.16 -0.40 115.58 116.19 1b4c h ASN 37 Ca 0.39 -0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1b4c h ASN 37 Cb 0.71 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.13 1b4c h ASN 37 CO -0.15 0.81 -1.86 0.59 -0.37 0.00 0.00 177.43 176.45 1b4c n ASN 38 N -4.14 0.66 -0.06 1.15 3.02 -0.59 -3.76 115.26 111.55 1b4c n ASN 38 Ca 0.00 -0.01 -0.02 0.00 -0.03 0.00 0.00 54.58 54.52 1b4c n ASN 38 Cb 0.39 1.86 -0.16 0.00 -0.61 0.00 0.00 39.78 41.27 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 -2.15 0.78 -0.53 3.52 4.71 0.19 -4.41 120.64 122.74 1b4c n GLU 39 Ca -0.03 -0.07 0.04 0.00 -0.01 0.00 0.00 57.16 57.08 1b4c n GLU 39 Cb 0.49 -1.49 0.20 0.00 -1.01 0.00 0.00 31.44 29.63 1b4c n GLU 39 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1b4c n LEU 40 N -2.53 3.31 0.05 -4.62 4.32 -0.16 -4.73 117.00 112.64 1b4c n LEU 40 Ca -0.21 -3.55 -0.13 0.00 -0.02 0.00 0.00 56.01 52.10 1b4c n LEU 40 Cb 0.91 -0.55 -0.09 0.00 -1.62 0.00 0.00 43.42 42.08 1b4c n LEU 40 CO 0.42 1.09 0.64 0.77 -1.22 0.00 0.00 177.39 179.08 1b4c h SER 41 N 0.92 -0.12 -0.97 -1.43 4.64 -1.64 -1.45 113.55 113.51 1b4c h SER 41 Ca 0.08 -0.30 0.13 0.00 -0.47 0.00 0.00 61.79 61.22 1b4c h SER 41 Cb 1.30 0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 63.33 1b4c h SER 41 CO 0.17 0.25 0.59 -0.74 -0.87 0.00 0.00 176.83 176.24 1b4c h HIS 42 N -0.51 1.06 0.00 4.77 -0.00 -1.90 0.57 115.15 119.14 1b4c h HIS 42 Ca -0.01 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.27 1b4c h HIS 42 Cb 0.42 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 1b4c h HIS 42 CO 0.04 0.38 -0.58 0.74 -0.00 0.00 0.00 177.93 178.51 1b4c h PHE 43 N 0.90 0.00 -0.51 5.26 -1.00 -1.88 -2.90 116.94 116.81 1b4c h PHE 43 Ca 0.50 0.00 0.15 0.00 2.81 0.00 0.00 57.97 61.43 1b4c h PHE 43 Cb 0.56 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 1b4c h PHE 43 CO -0.02 0.58 0.54 1.25 -1.61 0.00 0.00 178.31 179.06 1b4c h LEU 44 N 0.00 0.00 0.15 1.54 7.12 0.25 0.18 115.31 124.55 1b4c h LEU 44 Ca -0.01 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.70 1b4c h LEU 44 Cb 1.04 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 41.20 1b4c h LEU 44 CO 0.08 0.00 -1.31 -0.08 -0.13 0.00 0.00 178.44 177.00 1b4c h GLU 45 N 0.00 0.51 -2.80 1.25 4.57 -1.53 -3.34 114.58 113.24 1b4c h GLU 45 Ca 0.24 -0.77 -0.71 0.00 -1.18 0.00 0.00 59.36 56.94 1b4c h GLU 45 Cb 1.33 0.27 -0.06 0.00 -0.16 0.00 0.00 28.75 30.12 1b4c h GLU 45 CO -0.00 1.35 2.99 0.39 -1.18 0.00 0.00 179.01 182.56 1b4c n GLU 46 N -3.71 4.21 -4.07 1.92 1.02 0.63 -4.86 120.64 115.79 1b4c n GLU 46 Ca -0.13 -2.96 -0.32 0.00 -0.02 0.00 0.00 57.16 53.73 1b4c n GLU 46 Cb 1.03 -2.71 -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 0.23 2.12 -0.23 -3.67 -1.09 -1.25 -4.55 121.20 112.76 1b4c s ILE 47 Ca 0.60 -1.55 -0.18 0.00 -2.23 0.00 0.00 60.65 57.28 1b4c s ILE 47 Cb 0.18 -2.21 -0.17 0.00 -1.58 0.00 0.00 42.46 38.68 1b4c s ILE 47 CO -0.08 0.01 0.02 0.29 -1.23 0.00 0.00 174.94 173.95 1b4c n LYS 48 N 4.46 0.58 -1.81 2.79 4.01 -1.26 -4.50 118.16 122.43 1b4c n LYS 48 Ca -0.14 0.46 -0.42 0.00 -0.51 0.00 0.00 58.31 57.70 1b4c n LYS 48 Cb 0.43 -1.66 -0.00 0.00 -0.51 0.00 0.00 35.03 33.29 1b4c n LYS 48 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1b4c n GLU 49 N -4.34 3.24 0.20 1.97 1.02 -1.26 -4.73 120.64 116.74 1b4c n GLU 49 Ca -0.40 -2.79 0.13 0.00 -0.02 0.00 0.00 57.16 54.08 1b4c n GLU 49 Cb 0.76 -3.10 0.43 0.00 -0.02 0.00 0.00 31.44 29.51 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 5.72 0.00 0.00 3.49 4.20 -2.00 1.39 115.11 127.91 1b4c h GLN 50 Ca 0.59 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.24 1b4c h GLN 50 Cb 0.57 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1b4c h GLN 50 CO 1.80 0.00 -0.26 0.93 -0.67 0.00 0.00 178.83 180.63 1b4c h GLU 51 N 0.00 0.00 -0.01 1.46 5.08 -1.98 -1.39 114.58 117.74 1b4c h GLU 51 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1b4c h GLU 51 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1b4c h GLU 51 CO -0.00 0.26 -0.06 0.28 -1.00 0.00 0.00 179.01 178.49 1b4c h VAL 52 N 0.00 1.55 -0.29 3.13 2.07 0.15 -2.61 116.25 120.26 1b4c h VAL 52 Ca -0.00 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.77 1b4c h VAL 52 Cb 0.97 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 1b4c h VAL 52 CO 0.03 0.45 -0.02 0.58 0.02 0.00 0.00 177.57 178.63 1b4c h VAL 53 N -0.63 1.18 -0.46 2.57 2.07 -1.55 -2.45 116.25 116.99 1b4c h VAL 53 Ca -0.01 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1b4c h VAL 53 Cb 0.76 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1b4c h VAL 53 CO 0.01 0.25 0.26 -0.78 0.02 0.00 0.00 177.57 177.33 1b4c h ASP 54 N 0.43 0.42 0.59 0.57 1.82 -1.20 -1.48 116.42 117.56 1b4c h ASP 54 Ca 0.09 0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.68 1b4c h ASP 54 Cb 0.31 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 1b4c h ASP 54 CO 0.01 0.30 -0.29 0.50 -1.61 0.00 0.00 179.24 178.15 1b4c h LYS 55 N 0.53 0.00 0.45 0.28 3.64 -1.05 -2.51 116.57 117.90 1b4c h LYS 55 Ca 0.18 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1b4c h LYS 55 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1b4c h LYS 55 CO -0.09 0.29 -0.21 0.28 -2.27 0.00 0.00 179.45 177.44 1b4c h VAL 56 N 0.00 0.42 -0.40 2.00 2.07 -0.90 0.48 116.25 119.91 1b4c h VAL 56 Ca -0.00 -0.51 0.11 0.00 0.82 0.00 0.00 66.70 67.13 1b4c h VAL 56 Cb 0.66 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1b4c h VAL 56 CO 0.04 0.07 0.35 0.24 0.02 0.00 0.00 177.57 178.29 1b4c h MET 57 N -0.95 0.00 0.10 1.57 2.86 -1.25 0.18 114.93 117.44 1b4c h MET 57 Ca -0.06 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.27 1b4c h MET 57 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1b4c h MET 57 CO 0.10 0.00 -1.59 0.93 1.06 0.00 0.00 176.91 177.41 1b4c h GLU 58 N 0.00 0.21 -0.27 1.72 4.39 -1.17 -2.74 114.58 116.71 1b4c h GLU 58 Ca 0.19 -0.36 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 1b4c h GLU 58 Cb 0.89 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1b4c h GLU 58 CO -0.00 1.04 -0.18 1.15 -1.16 0.00 0.00 179.01 179.86 1b4c h THR 59 N 0.06 1.30 0.63 1.13 2.02 0.20 -1.48 112.91 116.76 1b4c h THR 59 Ca -0.26 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 65.59 1b4c h THR 59 Cb 2.01 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1b4c h THR 59 CO 0.14 0.41 -0.34 -0.07 0.37 0.00 0.00 175.52 176.03 1b4c h LEU 60 N 0.33 -0.84 -1.53 2.58 3.38 -0.87 0.10 115.31 118.45 1b4c h LEU 60 Ca 0.05 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1b4c h LEU 60 Cb 0.71 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1b4c h LEU 60 CO 0.05 -0.56 0.54 0.44 0.09 0.00 0.00 178.44 179.00 1b4c h ASP 61 N -0.91 0.00 -1.02 -0.43 5.19 -1.43 0.44 116.42 118.26 1b4c h ASP 61 Ca -0.08 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.66 1b4c h ASP 61 Cb 0.72 0.00 -0.31 0.00 0.18 0.00 0.00 39.33 39.92 1b4c h ASP 61 CO 0.11 0.00 0.64 -0.62 -3.12 0.00 0.00 179.24 176.25 1b4c n GLU 62 N -2.95 2.83 -0.41 3.56 1.02 0.34 -4.70 120.64 120.32 1b4c n GLU 62 Ca 0.01 -3.44 0.33 0.00 -0.02 0.00 0.00 57.16 54.05 1b4c n GLU 62 Cb 0.61 -2.29 0.62 0.00 -0.02 0.00 0.00 31.44 30.36 1b4c n GLU 62 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1b4c h ASP 63 N 2.08 0.27 0.00 1.62 2.03 0.01 -3.43 116.42 119.01 1b4c h ASP 63 Ca 0.57 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.98 1b4c h ASP 63 Cb 0.87 0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 1b4c h ASP 63 CO 1.47 -0.08 0.00 0.61 -1.03 0.00 0.00 179.24 180.21 1b4c n GLY 64 N -1.55 0.00 0.07 7.15 0.00 -1.26 -4.51 105.19 105.09 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 1.70 0.00 1.61 2.03 -1.26 -5.02 116.55 115.61 1b4c n ASP 65 Ca 0.00 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1b4c n ASP 65 Cb 0.00 0.70 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4c n GLY 66 N 2.21 2.93 3.16 0.27 0.00 -1.26 -5.00 105.19 107.50 1b4c n GLY 66 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 0.30 -0.20 1.61 2.02 -1.26 -4.89 118.70 115.96 1b4c s GLU 67 Ca 0.00 0.64 -0.08 0.00 0.02 0.00 0.00 54.97 55.56 1b4c s GLU 67 Cb 0.00 -0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.12 1b4c s GLU 67 CO 0.00 -0.16 0.07 0.00 0.02 0.00 0.00 175.26 175.19 1b4c n ASP 69 N 3.95 0.14 0.17 0.00 5.68 -1.26 0.13 116.55 125.37 1b4c n ASP 69 Ca -0.16 -1.16 0.04 0.00 -0.50 0.00 0.00 54.79 53.01 1b4c n ASP 69 Cb 0.52 -0.18 0.23 0.00 -1.14 0.00 0.00 41.12 40.55 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 -0.84 0.00 -0.55 2.11 3.04 -1.94 -3.03 116.94 115.72 1b4c h PHE 70 Ca -0.08 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.82 1b4c h PHE 70 Cb 0.25 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 1b4c h PHE 70 CO 0.00 0.43 0.16 1.96 -2.02 0.00 0.00 178.31 178.84 1b4c h GLN 71 N 0.00 0.84 0.00 1.11 4.20 -1.99 -1.16 115.11 118.11 1b4c h GLN 71 Ca -0.00 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1b4c h GLN 71 Cb 1.08 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 1b4c h GLN 71 CO 0.06 0.73 -0.15 0.93 -0.67 0.00 0.00 178.83 179.73 1b4c h GLU 72 N 0.81 0.00 -0.07 1.46 3.07 -1.90 -2.69 114.58 115.27 1b4c h GLU 72 Ca 0.18 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.82 1b4c h GLU 72 Cb 0.26 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1b4c h GLU 72 CO -0.01 0.15 -0.81 0.35 -1.40 0.00 0.00 179.01 177.29 1b4c h PHE 73 N 0.00 0.95 0.17 4.33 3.57 -1.23 -1.99 116.94 122.73 1b4c h PHE 73 Ca -0.00 -0.47 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1b4c h PHE 73 Cb 0.64 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1b4c h PHE 73 CO 0.00 1.29 -0.08 0.52 -2.23 0.00 0.00 178.31 177.81 1b4c h MET 74 N 0.33 -0.22 -0.07 1.11 2.86 -1.29 -1.07 114.93 116.58 1b4c h MET 74 Ca -0.08 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1b4c h MET 74 Cb 1.47 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 33.16 1b4c h MET 74 CO 0.16 0.16 -0.05 0.00 1.06 0.00 0.00 176.91 178.24 1b4c h ALA 75 N 0.07 0.02 -0.25 6.32 0.00 -1.57 0.20 119.26 124.04 1b4c h ALA 75 Ca -0.02 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1b4c h ALA 75 Cb 0.47 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1b4c h ALA 75 CO 0.04 -0.52 -0.17 0.74 0.00 0.00 0.00 179.25 179.34 1b4c h PHE 76 N -0.05 0.48 -0.16 0.00 0.04 -1.42 -1.84 116.94 113.99 1b4c h PHE 76 Ca 0.05 -0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.63 1b4c h PHE 76 Cb 0.12 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1b4c h PHE 76 CO -0.16 0.60 -0.35 0.28 -0.60 0.00 0.00 178.31 178.08 1b4c h VAL 77 N 0.41 1.29 0.18 -0.55 2.07 -0.74 -2.91 116.25 116.01 1b4c h VAL 77 Ca 0.07 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1b4c h VAL 77 Cb 0.54 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1b4c h VAL 77 CO 0.03 0.43 -0.09 0.77 0.02 0.00 0.00 177.57 178.74 1b4c h SER 78 N 0.29 -0.21 -1.01 0.57 4.64 -0.34 -1.42 113.55 116.07 1b4c h SER 78 Ca 0.03 -0.30 0.24 0.00 -0.47 0.00 0.00 61.79 61.29 1b4c h SER 78 Cb 0.76 0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 62.80 1b4c h SER 78 CO 0.06 0.24 0.63 0.24 -0.87 0.00 0.00 176.83 177.12 1b4c h MET 79 N -0.71 0.53 0.24 4.77 2.07 -1.32 2.32 114.93 122.82 1b4c h MET 79 Ca -0.03 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 1b4c h MET 79 Cb 0.50 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 30.11 1b4c h MET 79 CO 0.04 0.35 -0.12 0.28 1.07 0.00 0.00 176.91 178.53 1b4c h VAL 80 N 0.54 0.27 -0.93 -2.22 2.07 -1.45 0.29 116.25 114.82 1b4c h VAL 80 Ca 0.60 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 67.31 1b4c h VAL 80 Cb 1.26 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1b4c h VAL 80 CO -0.37 0.07 0.60 0.74 0.02 0.00 0.00 177.57 178.63 1b4c h THR 81 N -1.04 1.09 0.00 2.57 2.02 -0.66 0.19 112.91 117.08 1b4c h THR 81 Ca -0.03 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1b4c h THR 81 Cb 0.37 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1b4c h THR 81 CO 0.05 0.20 -0.00 0.74 0.37 0.00 0.00 175.52 176.88 1b4c h THR 82 N 1.08 0.00 -0.67 3.16 2.02 0.39 -3.19 112.91 115.70 1b4c h THR 82 Ca 0.39 -0.73 0.13 0.00 0.77 0.00 0.00 66.41 66.98 1b4c h THR 82 Cb 0.16 1.72 -0.09 0.00 -1.74 0.00 0.00 68.15 68.19 1b4c h THR 82 CO -0.14 0.00 0.18 0.00 0.37 0.00 0.00 175.52 175.93 1b4c h ALA 83 N 2.00 0.86 0.00 6.16 0.00 0.28 -1.67 119.26 126.89 1b4c h ALA 83 Ca -0.00 0.14 -0.38 0.00 0.00 0.00 0.00 54.91 54.67 1b4c h ALA 83 Cb 0.72 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1b4c h ALA 83 CO 0.00 -0.29 1.93 0.00 0.00 0.00 0.00 179.25 180.89 1b4c n HIS 85 N 3.41 -1.48 -1.79 0.00 1.44 -0.63 -2.38 115.22 113.80 1b4c n HIS 85 Ca 0.51 0.37 -0.21 0.00 -2.01 0.00 0.00 57.72 56.38 1b4c n HIS 85 Cb 0.38 -1.48 -0.07 0.00 0.12 0.00 0.00 29.99 28.94 1b4c n HIS 85 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1b4c n GLU 86 N 0.08 -1.50 0.28 -1.40 2.13 -1.26 -4.81 120.64 114.16 1b4c n GLU 86 Ca -0.00 1.18 0.14 0.00 0.66 0.00 0.00 57.16 59.14 1b4c n GLU 86 Cb 0.68 -5.63 0.82 0.00 0.27 0.00 0.00 31.44 27.57 1b4c n GLU 86 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1b4c h PHE 87 N 0.00 0.00 -0.84 4.31 -0.00 -1.87 -1.74 116.94 116.80 1b4c h PHE 87 Ca -0.44 0.00 0.24 0.00 -0.00 0.00 0.00 57.97 57.77 1b4c h PHE 87 Cb 1.36 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.28 1b4c h PHE 87 CO 0.58 0.07 0.61 0.74 -0.00 0.00 0.00 178.31 180.30 1b4c h PHE 88 N 0.00 0.00 -1.33 6.09 0.04 -1.88 -2.01 116.94 117.85 1b4c h PHE 88 Ca -0.00 0.00 -0.73 0.00 2.80 0.00 0.00 57.97 60.04 1b4c h PHE 88 Cb 0.18 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.18 1b4c h PHE 88 CO 0.00 0.00 2.02 0.39 -0.60 0.00 0.00 178.31 180.12 1b4c n GLU 89 N -4.27 4.53 -0.22 1.51 1.02 -0.66 -4.78 120.64 117.78 1b4c n GLU 89 Ca 0.17 -3.56 0.00 0.00 -0.02 0.00 0.00 57.16 53.75 1b4c n GLU 89 Cb 0.91 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 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 1.34 0.00 0.98 -0.32 -0.00 -0.76 -5.12 115.22 111.34 1b4c n HIS 90 Ca 0.59 -0.47 0.08 0.00 0.46 0.00 0.00 57.72 58.38 1b4c n HIS 90 Cb 0.27 -0.35 0.47 0.00 -0.12 0.00 0.00 29.99 30.26 1b4c n HIS 90 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19