#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 5.49 0.47 6.12 1.04 -1.26 -4.93 113.70 120.62 1b4c s SER 1 Ca 0.00 0.89 0.18 0.00 0.48 0.00 0.00 55.95 57.50 1b4c s SER 1 Cb 0.00 -1.78 1.16 0.00 0.10 0.00 0.00 66.02 65.50 1b4c s SER 1 CO 0.00 -1.22 1.99 -0.33 0.98 0.00 0.00 173.24 174.66 1b4c h GLU 2 N -0.42 0.25 0.20 4.02 5.08 -2.06 -1.88 114.58 119.78 1b4c h GLU 2 Ca -0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1b4c h GLU 2 Cb 1.26 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1b4c h GLU 2 CO 0.62 0.16 -0.17 1.25 -1.00 0.00 0.00 179.01 179.88 1b4c h LEU 3 N 0.26 -0.45 -0.59 1.33 6.46 -1.99 -2.11 115.31 118.21 1b4c h LEU 3 Ca 0.26 0.04 0.11 0.00 -0.12 0.00 0.00 57.88 58.18 1b4c h LEU 3 Cb 0.69 0.15 -0.09 0.00 -0.73 0.00 0.00 40.66 40.68 1b4c h LEU 3 CO -0.05 -0.26 0.09 -0.33 -0.62 0.00 0.00 178.44 177.27 1b4c h GLU 4 N -0.39 0.21 -0.75 1.25 3.07 -1.71 0.28 114.58 116.54 1b4c h GLU 4 Ca -0.01 -0.01 0.15 0.00 -0.50 0.00 0.00 59.36 58.99 1b4c h GLU 4 Cb 0.35 -0.05 -0.10 0.00 -0.84 0.00 0.00 28.75 28.12 1b4c h GLU 4 CO -0.02 0.14 0.28 0.87 -1.40 0.00 0.00 179.01 178.88 1b4c h LYS 5 N 0.22 0.40 0.00 2.33 1.79 -1.31 -0.15 116.57 119.85 1b4c h LYS 5 Ca 0.31 -0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.62 1b4c h LYS 5 Cb 0.48 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1b4c h LYS 5 CO -0.43 0.26 -0.68 0.00 -1.08 0.00 0.00 179.45 177.53 1b4c h ALA 6 N 1.56 0.74 0.06 3.86 0.00 -0.16 -2.72 119.26 122.60 1b4c h ALA 6 Ca 0.42 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1b4c h ALA 6 Cb 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1b4c h ALA 6 CO -0.42 0.85 -0.03 1.98 0.00 0.00 0.00 179.25 181.63 1b4c h MET 7 N 0.00 -0.08 -0.58 0.00 -1.53 0.12 -2.29 114.93 110.58 1b4c h MET 7 Ca -0.01 0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1b4c h MET 7 Cb 1.31 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 32.35 1b4c h MET 7 CO 0.09 0.23 0.35 0.28 0.14 0.00 0.00 176.91 178.00 1b4c h VAL 8 N -0.39 1.16 -0.32 -5.77 2.07 -1.41 -2.17 116.25 109.42 1b4c h VAL 8 Ca -0.01 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1b4c h VAL 8 Cb 0.34 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1b4c h VAL 8 CO 0.01 0.17 0.14 0.00 0.02 0.00 0.00 177.57 177.91 1b4c h ALA 9 N 1.60 0.38 -0.91 1.67 0.00 -1.22 -1.77 119.26 119.00 1b4c h ALA 9 Ca 0.21 0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.39 1b4c h ALA 9 Cb -0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.59 1b4c h ALA 9 CO -0.04 -0.25 0.35 -0.07 0.00 0.00 0.00 179.25 179.23 1b4c h LEU 10 N 0.29 0.19 -0.70 0.00 3.38 -0.81 1.17 115.31 118.83 1b4c h LEU 10 Ca 0.14 0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 1b4c h LEU 10 Cb 0.08 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1b4c h LEU 10 CO -0.12 -0.11 0.12 0.40 0.09 0.00 0.00 178.44 178.82 1b4c h ILE 11 N 0.28 1.26 -0.25 1.22 5.03 -1.36 0.13 117.51 123.82 1b4c h ILE 11 Ca 0.59 -1.03 0.06 0.00 -0.12 0.00 0.00 64.86 64.37 1b4c h ILE 11 Cb 1.22 0.61 -0.07 0.00 -3.03 0.00 0.00 36.82 35.55 1b4c h ILE 11 CO -0.62 0.39 -0.26 -0.78 -0.68 0.00 0.00 178.15 176.21 1b4c h ASP 12 N 1.05 -0.82 0.03 1.72 1.82 0.19 0.14 116.42 120.54 1b4c h ASP 12 Ca 0.21 0.15 -0.15 0.00 -0.39 0.00 0.00 57.03 56.84 1b4c h ASP 12 Cb 0.43 0.38 0.01 0.00 0.68 0.00 0.00 39.33 40.84 1b4c h ASP 12 CO 0.01 -0.29 -0.61 0.58 -1.61 0.00 0.00 179.24 177.32 1b4c h VAL 13 N -0.26 1.47 -0.64 2.25 2.07 -1.12 -1.35 116.25 118.66 1b4c h VAL 13 Ca 0.14 -2.18 0.06 0.00 0.82 0.00 0.00 66.70 65.54 1b4c h VAL 13 Cb 0.48 2.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 1b4c h VAL 13 CO -0.40 0.62 0.42 0.15 0.02 0.00 0.00 177.57 178.39 1b4c h PHE 14 N -0.22 0.65 0.01 1.57 3.57 -0.59 -0.67 116.94 121.25 1b4c h PHE 14 Ca -0.09 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.23 1b4c h PHE 14 Cb 1.36 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1b4c h PHE 14 CO 0.16 0.35 -0.95 1.25 -2.23 0.00 0.00 178.31 176.90 1b4c h HIS 15 N 0.65 0.05 -0.74 0.41 2.76 -0.75 -3.16 115.15 114.36 1b4c h HIS 15 Ca 0.27 -0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.52 1b4c h HIS 15 Cb 0.25 -0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.13 1b4c h HIS 15 CO -0.00 0.96 0.36 0.37 -1.30 0.00 0.00 177.93 178.32 1b4c h GLN 16 N 0.01 0.57 -0.05 5.26 5.75 0.08 -1.07 115.11 125.66 1b4c h GLN 16 Ca -0.02 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 1b4c h GLN 16 Cb 1.66 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 30.08 1b4c h GLN 16 CO 0.13 0.38 -0.09 1.88 -2.65 0.00 0.00 178.83 178.47 1b4c h TYR 17 N 0.58 0.18 -1.95 3.99 -1.99 -1.58 -3.31 116.97 112.90 1b4c h TYR 17 Ca 0.38 -0.07 -0.79 0.00 2.00 0.00 0.00 58.73 60.26 1b4c h TYR 17 Cb 0.46 -0.03 -0.22 0.00 2.00 0.00 0.00 36.73 38.93 1b4c h TYR 17 CO -0.11 0.68 1.46 0.45 -0.00 0.00 0.00 178.16 180.63 1b4c n SER 18 N -4.68 7.43 -0.00 3.88 2.88 -0.81 -4.34 113.62 117.97 1b4c n SER 18 Ca -0.08 -3.49 0.02 0.00 -1.33 0.00 0.00 58.87 53.98 1b4c n SER 18 Cb 0.35 -1.24 -0.02 0.00 -0.75 0.00 0.00 64.21 62.54 1b4c n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b4c n GLY 19 N 0.65 0.26 0.26 0.46 0.00 -0.47 -3.84 105.19 102.51 1b4c n GLY 19 Ca 0.50 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.49 1b4c n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b4c h ARG 20 N 0.00 0.14 0.00 1.61 3.08 -1.85 -3.41 114.38 113.95 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 0.12 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1b4c h ARG 20 CO 0.00 0.14 0.00 0.39 -1.07 0.00 0.00 179.97 179.43 1b4c n GLU 21 N -4.47 0.00 -0.62 0.04 1.02 -1.26 -4.98 120.64 110.38 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 0.12 -0.16 -0.01 0.00 -0.02 0.00 0.00 31.44 31.38 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 0.20 0.36 0.62 0.00 -1.25 -4.73 105.19 100.57 1b4c n GLY 22 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.18 -4.99 1.61 3.58 -1.93 -3.41 116.42 110.10 1b4c h ASP 23 Ca -0.04 0.18 -0.39 0.00 0.42 0.00 0.00 57.03 57.21 1b4c h ASP 23 Cb 0.46 0.52 0.08 0.00 1.72 0.00 0.00 39.33 42.11 1b4c h ASP 23 CO 0.06 -0.36 0.13 2.29 -2.88 0.00 0.00 179.24 178.48 1b4c n LYS 24 N -5.42 -0.12 -2.55 0.28 -0.00 -1.26 -5.03 118.16 104.06 1b4c n LYS 24 Ca -0.01 -2.22 -0.16 0.00 -0.00 0.00 0.00 58.31 55.92 1b4c n LYS 24 Cb 0.34 -0.63 0.02 0.00 -0.00 0.00 0.00 35.03 34.77 1b4c n LYS 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1b4c n HIS 25 N -2.73 2.12 -4.11 5.58 8.25 -1.26 -5.06 115.22 118.01 1b4c n HIS 25 Ca 0.14 -2.73 -0.15 0.00 -0.26 0.00 0.00 57.72 54.71 1b4c n HIS 25 Cb 0.50 -0.25 -0.12 0.00 1.12 0.00 0.00 29.99 31.24 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 -3.42 0.66 0.00 -0.41 1.02 -1.26 -4.51 119.74 111.81 1b4c s LYS 26 Ca 0.37 -0.85 0.07 0.00 0.02 0.00 0.00 55.97 55.58 1b4c s LYS 26 Cb 0.41 -0.53 -0.02 0.00 -0.52 0.00 0.00 37.83 37.18 1b4c s LYS 26 CO -0.05 0.11 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.10 1b4c s LEU 27 N -1.67 2.08 0.23 3.17 2.96 0.18 -4.95 118.68 120.68 1b4c s LEU 27 Ca -0.06 -0.43 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 1b4c s LEU 27 Cb -0.10 -1.08 -0.07 0.00 0.50 0.00 0.00 46.19 45.44 1b4c s LEU 27 CO 0.01 0.24 0.59 -0.54 -1.32 0.00 0.00 176.35 175.33 1b4c s LYS 28 N -0.69 3.88 0.25 1.98 1.02 -1.26 0.30 119.74 125.21 1b4c s LYS 28 Ca 0.08 0.40 -0.05 0.00 0.02 0.00 0.00 55.97 56.43 1b4c s LYS 28 Cb -0.08 -2.67 0.36 0.00 -0.52 0.00 0.00 37.83 34.91 1b4c s LYS 28 CO -0.00 0.32 1.85 1.57 -0.92 0.00 0.00 175.35 178.17 1b4c h LYS 29 N 2.71 0.96 -0.99 1.68 2.10 -1.92 -0.58 116.57 120.53 1b4c h LYS 29 Ca -0.47 -0.06 0.05 0.00 -2.00 0.00 0.00 60.65 58.17 1b4c h LYS 29 Cb 1.18 -0.22 -0.06 0.00 -0.90 0.00 0.00 32.23 32.22 1b4c h LYS 29 CO 0.68 0.64 0.64 0.77 -2.00 0.00 0.00 179.45 180.18 1b4c h SER 30 N 0.99 1.05 0.67 7.07 0.02 -1.95 0.11 113.55 121.50 1b4c h SER 30 Ca 0.39 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 61.09 1b4c h SER 30 Cb 0.19 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1b4c h SER 30 CO -0.18 0.69 -1.13 -0.33 -1.14 0.00 0.00 176.83 174.74 1b4c h GLU 31 N 1.20 0.23 -0.51 3.45 5.08 -1.79 -3.24 114.58 119.00 1b4c h GLU 31 Ca 0.41 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1b4c h GLU 31 Cb 0.10 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1b4c h GLU 31 CO -0.15 1.14 0.26 1.25 -1.00 0.00 0.00 179.01 180.51 1b4c h LEU 32 N 0.08 0.66 0.08 1.33 5.85 -0.50 -2.61 115.31 120.19 1b4c h LEU 32 Ca -0.10 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1b4c h LEU 32 Cb 1.85 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.66 1b4c h LEU 32 CO 0.18 0.59 -0.41 0.50 -0.34 0.00 0.00 178.44 178.96 1b4c h LYS 33 N 0.68 -0.59 -1.08 1.25 3.64 -1.02 0.22 116.57 119.67 1b4c h LYS 33 Ca 0.18 0.04 0.29 0.00 -1.27 0.00 0.00 60.65 59.89 1b4c h LYS 33 Cb 0.10 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 31.96 1b4c h LYS 33 CO -0.02 -0.40 0.71 0.93 -2.27 0.00 0.00 179.45 178.40 1b4c h GLU 34 N -0.62 0.29 -0.03 1.90 5.08 -1.54 0.24 114.58 119.92 1b4c h GLU 34 Ca 0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1b4c h GLU 34 Cb 0.66 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1b4c h GLU 34 CO -0.26 0.19 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.87 1b4c h LEU 35 N 0.30 0.05 -1.13 1.33 3.38 -0.26 -2.77 115.31 116.21 1b4c h LEU 35 Ca 0.61 -0.32 0.17 0.00 0.09 0.00 0.00 57.88 58.43 1b4c h LEU 35 Cb 1.71 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 42.36 1b4c h LEU 35 CO -0.26 0.36 0.61 0.40 0.09 0.00 0.00 178.44 179.64 1b4c h ILE 36 N -0.26 0.76 0.00 1.22 2.04 0.11 2.31 117.51 123.68 1b4c h ILE 36 Ca 0.01 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1b4c h ILE 36 Cb 0.33 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1b4c h ILE 36 CO 0.00 0.14 -0.17 -1.13 0.00 0.00 0.00 178.15 176.99 1b4c h ASN 37 N 0.74 0.00 -0.01 1.72 -1.24 -1.05 -2.65 115.58 113.10 1b4c h ASN 37 Ca 0.53 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.54 1b4c h ASN 37 Cb 0.84 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.89 1b4c h ASN 37 CO -0.30 0.17 0.00 0.59 -1.29 0.00 0.00 177.43 176.60 1b4c n ASN 38 N -4.03 1.38 -0.08 1.15 4.13 0.59 -4.40 115.26 114.00 1b4c n ASN 38 Ca -0.02 -1.32 -0.09 0.00 1.68 0.00 0.00 54.58 54.83 1b4c n ASN 38 Cb 0.25 -0.01 -0.12 0.00 -1.54 0.00 0.00 39.78 38.37 1b4c n ASN 38 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1b4c n GLU 39 N -0.08 1.34 -2.08 3.52 2.13 0.75 -4.62 120.64 121.60 1b4c n GLU 39 Ca 0.01 0.01 -0.15 0.00 0.66 0.00 0.00 57.16 57.69 1b4c n GLU 39 Cb 0.10 -1.39 0.04 0.00 0.27 0.00 0.00 31.44 30.46 1b4c n GLU 39 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1b4c n LEU 40 N -2.65 3.82 0.19 4.31 4.77 -1.01 -4.80 117.00 121.62 1b4c n LEU 40 Ca -0.26 -4.18 0.03 0.00 -0.03 0.00 0.00 56.01 51.57 1b4c n LEU 40 Cb 0.97 -0.15 0.36 0.00 -2.33 0.00 0.00 43.42 42.27 1b4c n LEU 40 CO 0.30 1.74 0.71 0.77 -1.33 0.00 0.00 177.39 179.58 1b4c h SER 41 N 2.15 0.00 0.05 -1.43 4.64 -1.77 -2.00 113.55 115.19 1b4c h SER 41 Ca 0.20 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1b4c h SER 41 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1b4c h SER 41 CO 0.54 0.39 -0.02 0.45 -0.87 0.00 0.00 176.83 177.31 1b4c h HIS 42 N 0.00 -0.06 0.00 4.77 3.86 -1.95 -3.15 115.15 118.62 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 0.72 0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.21 1b4c h HIS 42 CO 0.00 0.58 -0.00 0.74 0.86 0.00 0.00 177.93 180.11 1b4c h PHE 43 N -0.82 0.00 -0.50 2.45 0.04 -1.93 -2.87 116.94 113.31 1b4c h PHE 43 Ca -0.01 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.86 1b4c h PHE 43 Cb 0.66 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.71 1b4c h PHE 43 CO 0.16 0.00 -0.16 1.25 -0.60 0.00 0.00 178.31 178.96 1b4c h LEU 44 N 0.00 -0.58 -2.01 1.54 5.85 -1.31 0.44 115.31 119.24 1b4c h LEU 44 Ca -0.00 0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.99 1b4c h LEU 44 Cb 0.16 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1b4c h LEU 44 CO 0.00 -0.20 0.29 -0.08 -0.34 0.00 0.00 178.44 178.11 1b4c h GLU 45 N -0.04 0.00 -2.63 1.25 4.57 -1.66 -2.96 114.58 113.11 1b4c h GLU 45 Ca 0.24 0.00 -0.76 0.00 -1.18 0.00 0.00 59.36 57.66 1b4c h GLU 45 Cb 0.41 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 28.85 1b4c h GLU 45 CO -0.54 0.00 2.11 0.39 -1.18 0.00 0.00 179.01 179.79 1b4c n GLU 46 N -4.36 4.68 -3.93 1.92 1.02 0.15 -4.87 120.64 115.25 1b4c n GLU 46 Ca 0.06 -3.71 -0.31 0.00 -0.02 0.00 0.00 57.16 53.19 1b4c n GLU 46 Cb 0.47 -2.62 -0.15 0.00 -0.02 0.00 0.00 31.44 29.12 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 -1.64 1.70 -0.20 -3.67 1.01 -1.12 -4.20 121.20 113.07 1b4c s ILE 47 Ca 0.50 -1.70 -0.15 0.00 0.00 0.00 0.00 60.65 59.30 1b4c s ILE 47 Cb 0.18 -2.12 -0.20 0.00 0.01 0.00 0.00 42.46 40.33 1b4c s ILE 47 CO -0.09 -0.41 0.13 1.17 0.00 0.00 0.00 174.94 175.74 1b4c n LYS 48 N 4.54 0.63 -1.83 2.79 4.81 -1.26 -4.45 118.16 123.39 1b4c n LYS 48 Ca -0.04 0.41 -0.41 0.00 -0.87 0.00 0.00 58.31 57.40 1b4c n LYS 48 Cb 0.43 -1.68 -0.01 0.00 0.02 0.00 0.00 35.03 33.79 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 -4.06 3.46 0.05 1.64 -0.58 -1.26 -4.73 120.64 115.16 1b4c n GLU 49 Ca -0.37 -2.86 0.19 0.00 -0.42 0.00 0.00 57.16 53.70 1b4c n GLU 49 Cb 0.84 -3.00 0.52 0.00 -0.57 0.00 0.00 31.44 29.22 1b4c n GLU 49 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1b4c h GLN 50 N 5.53 0.00 0.00 3.49 4.20 -1.96 0.97 115.11 127.34 1b4c h GLN 50 Ca 0.61 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.24 1b4c h GLN 50 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1b4c h GLN 50 CO 1.75 0.00 -0.37 0.93 -0.67 0.00 0.00 178.83 180.47 1b4c h GLU 51 N 0.00 0.00 -0.00 1.46 3.07 -1.98 -0.20 114.58 116.93 1b4c h GLU 51 Ca 0.25 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 1b4c h GLU 51 Cb 1.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.78 1b4c h GLU 51 CO -0.00 0.37 -0.02 0.28 -1.40 0.00 0.00 179.01 178.24 1b4c h VAL 52 N 0.00 1.54 -0.15 3.13 2.07 0.59 -2.35 116.25 121.09 1b4c h VAL 52 Ca -0.00 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1b4c h VAL 52 Cb 1.00 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1b4c h VAL 52 CO 0.05 0.43 -0.06 0.58 0.02 0.00 0.00 177.57 178.58 1b4c h VAL 53 N -0.66 1.14 -0.05 2.57 2.07 -1.52 -2.43 116.25 117.38 1b4c h VAL 53 Ca -0.00 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1b4c h VAL 53 Cb 0.71 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1b4c h VAL 53 CO 0.00 0.19 0.02 -0.78 0.02 0.00 0.00 177.57 177.03 1b4c h ASP 54 N 0.22 0.06 0.36 0.57 1.82 -0.93 -2.36 116.42 116.15 1b4c h ASP 54 Ca 0.05 -0.10 -0.04 0.00 -0.39 0.00 0.00 57.03 56.55 1b4c h ASP 54 Cb 0.26 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 1b4c h ASP 54 CO 0.01 0.14 -0.18 0.11 -1.61 0.00 0.00 179.24 177.71 1b4c h LYS 55 N -0.03 0.00 0.44 0.28 1.57 -1.06 -2.64 116.57 115.14 1b4c h LYS 55 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1b4c h LYS 55 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1b4c h LYS 55 CO -0.00 0.18 -0.21 0.28 -0.57 0.00 0.00 179.45 179.13 1b4c h VAL 56 N 0.00 0.55 -0.26 0.50 2.07 -0.97 0.72 116.25 118.86 1b4c h VAL 56 Ca -0.00 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.33 1b4c h VAL 56 Cb 0.41 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1b4c h VAL 56 CO 0.02 0.05 0.27 0.24 0.02 0.00 0.00 177.57 178.17 1b4c h MET 57 N -0.75 0.00 0.15 1.57 2.86 -1.14 0.30 114.93 117.92 1b4c h MET 57 Ca -0.06 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.22 1b4c h MET 57 Cb 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1b4c h MET 57 CO 0.10 0.00 -1.89 1.49 1.06 0.00 0.00 176.91 177.67 1b4c h GLU 58 N 0.00 0.33 -0.28 1.72 4.81 -1.06 -2.29 114.58 117.80 1b4c h GLU 58 Ca 0.12 -0.56 -0.13 0.00 -0.13 0.00 0.00 59.36 58.67 1b4c h GLU 58 Cb 0.67 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1b4c h GLU 58 CO -0.00 1.26 -0.35 1.79 -0.73 0.00 0.00 179.01 180.98 1b4c h THR 59 N 0.09 1.29 0.47 0.32 1.35 0.14 -1.05 112.91 115.52 1b4c h THR 59 Ca -0.39 -1.49 -0.02 0.00 -0.55 0.00 0.00 66.41 63.96 1b4c h THR 59 Cb 2.07 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.95 1b4c h THR 59 CO 0.13 0.48 -0.23 0.25 -0.25 0.00 0.00 175.52 175.90 1b4c h LEU 60 N 0.52 -0.54 -1.53 3.87 5.85 -0.58 -2.56 115.31 120.34 1b4c h LEU 60 Ca 0.05 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1b4c h LEU 60 Cb 0.85 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1b4c h LEU 60 CO 0.07 -0.12 0.50 -0.78 -0.34 0.00 0.00 178.44 177.76 1b4c h ASP 61 N -1.09 0.00 -1.17 1.25 3.58 -1.38 0.39 116.42 118.00 1b4c h ASP 61 Ca -0.07 0.00 -0.70 0.00 0.42 0.00 0.00 57.03 56.69 1b4c h ASP 61 Cb 0.55 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.32 1b4c h ASP 61 CO 0.11 0.00 0.91 -0.62 -2.88 0.00 0.00 179.24 176.76 1b4c n GLU 62 N -2.81 2.70 -0.45 0.28 -0.58 -0.40 -4.69 120.64 114.70 1b4c n GLU 62 Ca -0.01 -3.33 0.37 0.00 -0.42 0.00 0.00 57.16 53.76 1b4c n GLU 62 Cb 0.53 -2.29 0.66 0.00 -0.57 0.00 0.00 31.44 29.78 1b4c n GLU 62 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1b4c h ASP 63 N 2.17 0.22 0.00 1.62 2.03 -0.25 -3.43 116.42 118.78 1b4c h ASP 63 Ca 0.60 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 57.00 1b4c h ASP 63 Cb 0.67 0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 1b4c h ASP 63 CO 1.57 -0.10 0.00 0.61 -1.03 0.00 0.00 179.24 180.29 1b4c n GLY 64 N -1.59 0.00 0.07 7.15 0.00 -1.26 -4.48 105.19 105.08 1b4c n GLY 64 Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 1.68 0.00 1.61 2.03 -1.26 -5.02 116.55 115.59 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 0.69 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 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 2.20 2.70 3.25 0.27 0.00 -1.26 -5.01 105.19 107.34 1b4c n GLY 66 Ca -0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1b4c n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b4c s GLU 67 N -0.35 0.39 -0.24 1.61 2.02 -1.26 -4.88 118.70 115.98 1b4c s GLU 67 Ca 0.00 0.72 -0.10 0.00 0.02 0.00 0.00 54.97 55.61 1b4c s GLU 67 Cb 0.00 0.01 -0.05 0.00 0.10 0.00 0.00 34.13 34.19 1b4c s GLU 67 CO 0.00 -0.14 0.15 0.00 0.02 0.00 0.00 175.26 175.29 1b4c n ASP 69 N 4.42 0.12 0.07 0.00 5.68 -1.26 0.47 116.55 126.05 1b4c n ASP 69 Ca -0.15 -1.19 -0.10 0.00 -0.50 0.00 0.00 54.79 52.85 1b4c n ASP 69 Cb 0.52 -0.27 0.01 0.00 -1.14 0.00 0.00 41.12 40.23 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 -1.03 0.44 -0.88 2.11 3.04 -1.96 -2.85 116.94 115.80 1b4c h PHE 70 Ca -0.12 -0.22 0.02 0.00 3.98 0.00 0.00 57.97 61.63 1b4c h PHE 70 Cb 0.35 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.76 1b4c h PHE 70 CO 0.00 1.00 0.58 0.37 -2.02 0.00 0.00 178.31 178.24 1b4c h GLN 71 N 0.19 1.11 0.00 1.11 5.75 -1.97 0.30 115.11 121.60 1b4c h GLN 71 Ca -0.04 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.34 1b4c h GLN 71 Cb 1.42 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 1b4c h GLN 71 CO 0.13 0.74 -0.23 0.93 -2.65 0.00 0.00 178.83 177.75 1b4c h GLU 72 N 1.14 0.00 -0.08 1.69 5.08 -1.90 -2.81 114.58 117.71 1b4c h GLU 72 Ca 0.34 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.51 1b4c h GLU 72 Cb -0.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1b4c h GLU 72 CO -0.09 0.23 -0.69 0.35 -1.00 0.00 0.00 179.01 177.82 1b4c h PHE 73 N 0.00 0.84 0.15 4.33 3.57 -0.75 -2.01 116.94 123.07 1b4c h PHE 73 Ca -0.00 -0.40 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 1b4c h PHE 73 Cb 0.81 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1b4c h PHE 73 CO 0.00 1.21 -0.07 1.98 -2.23 0.00 0.00 178.31 179.20 1b4c h MET 74 N 0.23 -0.20 -0.28 1.11 4.05 -1.16 0.42 114.93 119.10 1b4c h MET 74 Ca -0.06 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.43 1b4c h MET 74 Cb 1.34 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 32.13 1b4c h MET 74 CO 0.14 0.07 -0.09 0.00 0.23 0.00 0.00 176.91 177.26 1b4c h ALA 75 N 0.34 0.15 -0.54 0.39 0.00 -1.56 0.40 119.26 118.45 1b4c h ALA 75 Ca -0.02 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1b4c h ALA 75 Cb 0.36 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1b4c h ALA 75 CO 0.03 -0.49 0.14 0.74 0.00 0.00 0.00 179.25 179.68 1b4c h PHE 76 N -0.03 0.83 -0.20 0.00 0.04 -1.30 -1.78 116.94 114.50 1b4c h PHE 76 Ca 0.14 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 1b4c h PHE 76 Cb 0.25 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1b4c h PHE 76 CO -0.29 0.69 -0.14 0.28 -0.60 0.00 0.00 178.31 178.25 1b4c h VAL 77 N 0.79 1.20 0.09 -0.55 2.07 0.18 -3.00 116.25 117.03 1b4c h VAL 77 Ca 0.18 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1b4c h VAL 77 Cb 0.27 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1b4c h VAL 77 CO -0.00 0.29 -0.04 0.77 0.02 0.00 0.00 177.57 178.60 1b4c h SER 78 N 0.30 -0.10 -0.99 0.57 4.64 -0.12 -2.54 113.55 115.31 1b4c h SER 78 Ca 0.06 -0.41 0.22 0.00 -0.47 0.00 0.00 61.79 61.19 1b4c h SER 78 Cb 0.44 0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 62.46 1b4c h SER 78 CO 0.03 0.39 0.63 -0.03 -0.87 0.00 0.00 176.83 176.97 1b4c h MET 79 N -0.63 0.53 -0.02 4.77 -1.53 -1.32 0.46 114.93 117.19 1b4c h MET 79 Ca -0.01 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.19 1b4c h MET 79 Cb 0.51 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.44 1b4c h MET 79 CO 0.02 0.35 -0.10 0.28 0.14 0.00 0.00 176.91 177.60 1b4c h VAL 80 N 0.54 1.51 -0.14 -5.77 2.07 -1.51 -2.50 116.25 110.44 1b4c h VAL 80 Ca 0.56 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1b4c h VAL 80 Cb 1.18 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 1b4c h VAL 80 CO -0.31 0.44 0.07 0.74 0.02 0.00 0.00 177.57 178.54 1b4c h THR 81 N -0.53 1.11 -0.04 2.57 2.02 -0.86 -1.43 112.91 115.75 1b4c h THR 81 Ca -0.01 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1b4c h THR 81 Cb 0.77 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1b4c h THR 81 CO 0.02 0.10 0.08 0.71 0.37 0.00 0.00 175.52 176.80 1b4c h THR 82 N 0.12 0.25 -0.21 3.16 1.35 -0.20 -0.21 112.91 117.16 1b4c h THR 82 Ca 0.05 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.82 1b4c h THR 82 Cb 0.09 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 1b4c h THR 82 CO -0.01 0.00 -0.27 0.00 -0.25 0.00 0.00 175.52 174.99 1b4c h ALA 83 N 1.88 1.13 -1.04 6.62 0.00 -0.78 -3.38 119.26 123.70 1b4c h ALA 83 Ca 0.02 -0.35 -0.48 0.00 0.00 0.00 0.00 54.91 54.10 1b4c h ALA 83 Cb 0.18 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1b4c h ALA 83 CO -0.00 0.55 1.17 0.00 0.00 0.00 0.00 179.25 180.97 1b4c n HIS 85 N 11.07 0.11 0.72 0.00 8.25 -1.26 -1.76 115.22 132.34 1b4c n HIS 85 Ca 0.31 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 1b4c n HIS 85 Cb 0.49 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.47 0.76 0.10 -0.41 -0.58 -1.26 -4.07 120.64 113.71 1b4c n GLU 86 Ca -0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1b4c n GLU 86 Cb 0.27 -1.12 -0.08 0.00 -0.57 0.00 0.00 31.44 29.94 1b4c n GLU 86 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1b4c h PHE 87 N 0.53 -0.27 0.03 -0.32 3.57 -1.69 -3.31 116.94 115.48 1b4c h PHE 87 Ca 0.00 -0.01 -0.36 0.00 3.53 0.00 0.00 57.97 61.13 1b4c h PHE 87 Cb 0.76 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 1b4c h PHE 87 CO 0.01 0.10 -2.23 1.19 -2.23 0.00 0.00 178.31 175.15 1b4c n PHE 88 N -5.04 0.43 -2.40 0.41 3.01 -1.26 -4.54 117.46 108.07 1b4c n PHE 88 Ca -0.09 0.12 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 1b4c n PHE 88 Cb 0.25 -1.07 0.01 0.00 -0.01 0.00 0.00 39.48 38.66 1b4c n PHE 88 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1b4c n GLU 89 N -3.13 3.77 -0.66 -1.08 4.07 -1.26 -4.85 120.64 117.50 1b4c n GLU 89 Ca -0.35 -3.65 -0.13 0.00 -0.06 0.00 0.00 57.16 52.97 1b4c n GLU 89 Cb 1.06 -2.86 -0.07 0.00 -0.06 0.00 0.00 31.44 29.51 1b4c n GLU 89 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1b4c n HIS 90 N 3.44 0.52 -0.58 4.31 -0.00 -1.25 -4.56 115.22 117.09 1b4c n HIS 90 Ca 0.39 -1.31 0.00 0.00 -0.00 0.00 0.00 57.72 56.80 1b4c n HIS 90 Cb 0.35 -1.34 0.00 0.00 -0.00 0.00 0.00 29.99 29.01 1b4c n HIS 90 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49