#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1odb s THR 1 N 0.00 2.09 0.06 2.46 -4.23 -1.26 -4.90 115.64 109.86 1odb s THR 1 Ca 0.00 -0.23 -0.20 0.00 -1.18 0.00 0.00 61.69 60.08 1odb s THR 1 Cb 0.00 -2.86 -0.12 0.00 1.34 0.00 0.00 72.50 70.86 1odb s THR 1 CO 0.00 0.00 1.45 0.11 -0.54 0.00 0.00 174.62 175.64 1odb h LYS 2 N -1.08 0.33 -0.51 3.99 1.57 -2.06 -1.90 116.57 116.92 1odb h LYS 2 Ca -0.42 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.28 1odb h LYS 2 Cb 1.26 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 1odb h LYS 2 CO 0.44 0.60 0.26 1.25 -0.57 0.00 0.00 179.45 181.43 1odb h LEU 3 N 0.05 0.37 -0.92 2.94 6.46 -2.00 -1.91 115.31 120.31 1odb h LEU 3 Ca 0.04 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 1odb h LEU 3 Cb 0.47 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 1odb h LEU 3 CO 0.02 0.26 0.37 -0.33 -0.62 0.00 0.00 178.44 178.14 1odb h GLU 4 N 0.50 1.15 -0.77 1.25 5.08 -1.93 -1.75 114.58 118.12 1odb h GLU 4 Ca 0.22 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1odb h GLU 4 Cb 0.13 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1odb h GLU 4 CO -0.15 0.89 0.49 0.93 -1.00 0.00 0.00 179.01 180.17 1odb h GLU 5 N 1.14 1.02 -0.94 2.33 5.08 -0.99 -0.53 114.58 121.69 1odb h GLU 5 Ca 0.27 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1odb h GLU 5 Cb 0.13 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1odb h GLU 5 CO -0.03 0.70 0.59 0.45 -1.00 0.00 0.00 179.01 179.71 1odb h HIS 6 N 1.04 1.22 -0.28 4.33 3.86 -0.54 -0.24 115.15 124.55 1odb h HIS 6 Ca 0.28 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.36 1odb h HIS 6 Cb -0.09 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 27.98 1odb h HIS 6 CO -0.01 0.80 -0.35 -0.07 0.86 0.00 0.00 177.93 179.16 1odb h LEU 7 N 1.29 0.78 -0.85 2.43 3.38 -0.94 -1.43 115.31 119.98 1odb h LEU 7 Ca 0.34 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1odb h LEU 7 Cb -0.09 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1odb h LEU 7 CO -0.07 1.12 0.44 -0.08 0.09 0.00 0.00 178.44 179.95 1odb h GLU 8 N 0.46 1.20 -0.68 1.13 4.81 -0.97 -2.03 114.58 118.49 1odb h GLU 8 Ca 0.03 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1odb h GLU 8 Cb 0.93 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 1odb h GLU 8 CO 0.08 0.90 0.43 0.78 -0.73 0.00 0.00 179.01 180.47 1odb h GLY 9 N 1.19 0.98 1.02 1.92 0.00 -0.80 0.01 103.07 107.40 1odb h GLY 9 Ca 0.30 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1odb h GLY 9 CO -0.04 0.28 -0.04 -2.22 0.00 0.00 0.00 176.54 174.52 1odb h ILE 10 N 0.85 1.27 -0.37 2.60 2.04 -1.03 -1.47 117.51 121.39 1odb h ILE 10 Ca 0.27 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 1odb h ILE 10 Cb 0.00 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1odb h ILE 10 CO -0.10 0.40 0.10 0.58 0.00 0.00 0.00 178.15 179.13 1odb h VAL 11 N 0.76 1.22 -0.92 1.67 2.07 -1.20 -1.78 116.25 118.06 1odb h VAL 11 Ca 0.14 -0.73 0.12 0.00 0.82 0.00 0.00 66.70 67.04 1odb h VAL 11 Cb 0.57 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 1odb h VAL 11 CO 0.03 0.25 0.55 0.78 0.02 0.00 0.00 177.57 179.21 1odb h ASN 12 N 0.45 0.79 -0.14 0.57 2.35 -0.80 -2.18 115.58 116.63 1odb h ASN 12 Ca 0.12 0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.72 1odb h ASN 12 Cb 0.28 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1odb h ASN 12 CO -0.00 0.42 -0.67 0.40 -1.65 0.00 0.00 177.43 175.93 1odb h ILE 13 N 0.88 1.29 -0.31 2.81 2.04 -0.89 -1.96 117.51 121.37 1odb h ILE 13 Ca 0.46 -1.88 0.07 0.00 1.00 0.00 0.00 64.86 64.50 1odb h ILE 13 Cb 0.47 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 1odb h ILE 13 CO -0.27 0.60 -0.12 0.15 0.00 0.00 0.00 178.15 178.51 1odb h PHE 14 N 0.55 -0.29 -0.20 1.37 3.57 -1.14 -2.62 116.94 118.17 1odb h PHE 14 Ca -0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1odb h PHE 14 Cb 1.28 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1odb h PHE 14 CO 0.07 -0.19 -0.07 0.45 -2.23 0.00 0.00 178.31 176.35 1odb h HIS 15 N -0.07 0.32 -0.61 0.41 3.86 -1.18 0.58 115.15 118.46 1odb h HIS 15 Ca 0.16 -0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.46 1odb h HIS 15 Cb 0.30 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 1odb h HIS 15 CO -0.33 0.38 0.41 1.96 0.86 0.00 0.00 177.93 181.22 1odb h GLN 16 N 0.30 0.31 0.00 2.45 4.20 -0.96 -2.82 115.11 118.59 1odb h GLN 16 Ca 0.06 -0.02 -0.37 0.00 0.06 0.00 0.00 58.65 58.38 1odb h GLN 16 Cb 0.31 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 1odb h GLN 16 CO 0.01 0.21 -2.39 0.66 -0.67 0.00 0.00 178.83 176.65 1odb n TYR 17 N -4.46 0.06 0.13 2.96 4.01 -0.81 -4.53 117.16 114.52 1odb n TYR 17 Ca 0.11 0.02 -0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1odb n TYR 17 Cb 0.45 -1.01 0.28 0.00 -0.31 0.00 0.00 39.34 38.74 1odb n TYR 17 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1odb h SER 18 N 0.00 0.16 0.85 7.72 4.64 -0.80 -3.04 113.55 123.08 1odb h SER 18 Ca -0.55 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1odb h SER 18 Cb 2.11 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1odb h SER 18 CO -0.01 0.54 0.00 1.33 -0.87 0.00 0.00 176.83 177.81 1odb n VAL 19 N -4.06 0.77 0.04 0.95 0.24 -1.00 -4.07 118.33 111.20 1odb n VAL 19 Ca -0.01 0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 62.28 1odb n VAL 19 Cb 0.45 -1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 31.73 1odb n VAL 19 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1odb h ARG 20 N 0.00 -0.07 -4.33 7.34 3.08 -1.79 -3.45 114.38 115.17 1odb h ARG 20 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 1odb h ARG 20 Cb 0.43 0.01 -0.28 0.00 0.08 0.00 0.00 29.97 30.21 1odb h ARG 20 CO 0.00 0.20 -0.75 0.15 -1.07 0.00 0.00 179.97 178.49 1odb s LYS 21 N -5.15 0.44 5.01 0.04 1.02 -1.26 -5.11 119.74 114.73 1odb s LYS 21 Ca -0.15 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1odb s LYS 21 Cb 0.04 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1odb s LYS 21 CO 0.65 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.61 1odb n GLY 22 N 2.90 1.33 3.68 -3.33 0.00 -1.26 -4.63 105.19 103.88 1odb n GLY 22 Ca -0.13 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 44.75 1odb n GLY 22 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1odb n HIS 23 N 12.72 2.44 0.32 1.61 -0.00 -1.26 -4.86 115.22 126.19 1odb n HIS 23 Ca 0.00 0.14 0.14 0.00 -0.00 0.00 0.00 57.72 58.01 1odb n HIS 23 Cb 0.00 -2.61 0.64 0.00 -0.00 0.00 0.00 29.99 28.03 1odb n HIS 23 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1odb h PHE 24 N 6.67 0.00 0.00 1.57 -5.15 -1.82 -3.14 116.94 115.07 1odb h PHE 24 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1odb h PHE 24 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.41 1odb h PHE 24 CO 0.67 0.00 -0.00 -3.47 -2.00 0.00 0.00 178.31 173.50 1odb n ASP 25 N -2.55 1.78 -4.29 -0.68 2.03 -1.26 -2.37 116.55 109.22 1odb n ASP 25 Ca 0.00 -1.96 -0.15 0.00 0.52 0.00 0.00 54.79 53.20 1odb n ASP 25 Cb 0.19 -0.03 -0.10 0.00 -0.72 0.00 0.00 41.12 40.46 1odb n ASP 25 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1odb s THR 26 N -1.01 1.02 -0.19 5.18 -4.23 -1.19 -4.24 115.64 110.99 1odb s THR 26 Ca 0.02 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.44 1odb s THR 26 Cb 0.02 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 1odb s THR 26 CO 0.00 -0.50 0.01 -0.76 -0.54 0.00 0.00 174.62 172.83 1odb s LEU 27 N -3.23 3.44 0.95 4.79 1.43 -0.34 -4.55 118.68 121.15 1odb s LEU 27 Ca 0.23 -0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 1odb s LEU 27 Cb 0.05 -1.86 0.17 0.00 0.03 0.00 0.00 46.19 44.58 1odb s LEU 27 CO 0.05 0.12 1.23 -0.94 0.23 0.00 0.00 176.35 177.04 1odb s SER 28 N 0.67 3.25 0.18 2.29 1.04 -1.26 -0.55 113.70 119.31 1odb s SER 28 Ca 0.00 0.55 -0.18 0.00 0.48 0.00 0.00 55.95 56.81 1odb s SER 28 Cb -0.14 -0.82 0.12 0.00 0.10 0.00 0.00 66.02 65.29 1odb s SER 28 CO 0.02 -2.67 1.64 0.50 0.98 0.00 0.00 173.24 173.71 1odb h LYS 29 N -1.59 -0.07 -0.61 4.02 1.63 -1.99 -0.77 116.57 117.18 1odb h LYS 29 Ca -0.46 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.27 1odb h LYS 29 Cb 1.28 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.90 1odb h LYS 29 CO 0.48 -0.05 0.08 0.78 -3.45 0.00 0.00 179.45 177.29 1odb h GLY 30 N -0.07 1.09 0.75 5.01 0.00 -1.98 0.47 103.07 108.35 1odb h GLY 30 Ca 0.21 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1odb h GLY 30 CO -0.49 0.67 -0.07 0.83 0.00 0.00 0.00 176.54 177.48 1odb h GLU 31 N 0.95 0.32 -1.01 4.80 5.08 -1.85 -2.16 114.58 120.70 1odb h GLU 31 Ca 0.19 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1odb h GLU 31 Cb 0.44 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1odb h GLU 31 CO 0.01 0.63 0.66 1.25 -1.00 0.00 0.00 179.01 180.56 1odb h LEU 32 N -0.01 1.09 -0.66 1.33 5.85 -1.06 -0.63 115.31 121.22 1odb h LEU 32 Ca 0.04 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1odb h LEU 32 Cb 0.53 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1odb h LEU 32 CO 0.02 0.73 0.35 0.50 -0.34 0.00 0.00 178.44 179.70 1odb h LYS 33 N 1.25 0.93 -0.53 1.25 3.64 -0.70 -0.55 116.57 121.86 1odb h LYS 33 Ca 0.41 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1odb h LYS 33 Cb 0.04 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1odb h LYS 33 CO -0.14 0.71 0.26 1.96 -2.27 0.00 0.00 179.45 179.97 1odb h GLN 34 N 0.90 0.76 0.15 1.90 4.20 -0.78 -1.79 115.11 120.46 1odb h GLN 34 Ca 0.23 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1odb h GLN 34 Cb 0.07 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1odb h GLN 34 CO -0.03 0.63 -0.07 1.25 -0.67 0.00 0.00 178.83 179.93 1odb h LEU 35 N 0.71 -0.17 -0.33 1.46 6.46 -0.45 -2.24 115.31 120.75 1odb h LEU 35 Ca 0.18 -0.12 0.06 0.00 -0.12 0.00 0.00 57.88 57.88 1odb h LEU 35 Cb 0.12 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.03 1odb h LEU 35 CO -0.02 0.02 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.72 1odb h LEU 36 N -0.35 -0.20 -0.43 2.25 3.38 -1.10 0.18 115.31 119.03 1odb h LEU 36 Ca -0.02 0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1odb h LEU 36 Cb 0.28 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1odb h LEU 36 CO 0.03 -0.06 -0.77 0.71 0.09 0.00 0.00 178.44 178.44 1odb h THR 37 N 0.06 1.47 0.06 0.22 1.35 -1.27 -2.03 112.91 112.78 1odb h THR 37 Ca 0.16 -2.43 -0.25 0.00 -0.55 0.00 0.00 66.41 63.35 1odb h THR 37 Cb 0.23 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 1odb h THR 37 CO -0.30 0.71 -1.30 0.11 -0.25 0.00 0.00 175.52 174.49 1odb h LYS 38 N 0.10 0.13 0.00 4.72 1.57 -1.31 -3.36 116.57 118.42 1odb h LYS 38 Ca -0.03 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1odb h LYS 38 Cb 1.36 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1odb h LYS 38 CO 0.11 1.10 -1.27 0.39 -0.57 0.00 0.00 179.45 179.22 1odb n GLU 39 N -4.13 0.36 -0.59 3.15 -0.58 0.62 -4.23 120.64 115.24 1odb n GLU 39 Ca -0.27 -0.04 0.06 0.00 -0.42 0.00 0.00 57.16 56.49 1odb n GLU 39 Cb 0.79 -1.58 0.16 0.00 -0.57 0.00 0.00 31.44 30.25 1odb n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1odb n LEU 40 N -2.02 2.28 -0.07 -4.62 4.32 -0.76 -4.85 117.00 111.28 1odb n LEU 40 Ca 0.01 -3.34 0.07 0.00 -0.02 0.00 0.00 56.01 52.73 1odb n LEU 40 Cb 0.46 -0.41 0.43 0.00 -1.62 0.00 0.00 43.42 42.28 1odb n LEU 40 CO 0.42 1.08 1.18 0.00 -1.22 0.00 0.00 177.39 178.85 1odb h ALA 41 N 0.72 1.81 -0.60 -1.18 0.00 -1.70 -2.61 119.26 115.71 1odb h ALA 41 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1odb h ALA 41 Cb 1.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1odb h ALA 41 CO 0.01 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1odb n ASN 42 N -4.47 3.63 -0.04 0.00 3.02 -1.26 -4.53 115.26 111.60 1odb n ASN 42 Ca 0.07 -1.99 -0.07 0.00 -0.03 0.00 0.00 54.58 52.56 1odb n ASN 42 Cb 0.20 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 38.94 1odb n ASN 42 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1odb n THR 43 N 1.35 0.51 -4.29 3.41 -1.04 -1.00 -4.98 114.28 108.24 1odb n THR 43 Ca 0.21 -0.18 -0.34 0.00 -2.04 0.00 0.00 64.05 61.69 1odb n THR 43 Cb 0.57 -0.96 -0.13 0.00 -1.82 0.00 0.00 70.33 67.99 1odb n THR 43 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1odb s ILE 44 N -2.18 3.64 0.62 12.58 1.01 -1.13 -4.92 121.20 130.82 1odb s ILE 44 Ca -0.12 -0.43 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 1odb s ILE 44 Cb 0.03 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 1odb s ILE 44 CO 0.20 0.47 1.12 -1.59 0.00 0.00 0.00 174.94 175.14 1odb s LYS 45 N 0.75 2.98 -1.02 2.79 0.00 -1.26 -3.47 119.74 120.49 1odb s LYS 45 Ca -0.02 1.49 0.00 0.00 0.00 0.00 0.00 55.97 57.44 1odb s LYS 45 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 37.83 35.72 1odb s LYS 45 CO 0.02 -1.12 0.00 0.27 0.00 0.00 0.00 175.35 174.51 1odb n ASN 46 N -2.01 -5.62 0.06 0.03 0.23 -1.26 -4.87 115.26 101.82 1odb n ASN 46 Ca 0.11 0.24 0.19 0.00 -0.53 0.00 0.00 54.58 54.59 1odb n ASN 46 Cb 0.51 -3.97 0.72 0.00 -2.08 0.00 0.00 39.78 34.96 1odb n ASN 46 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1odb h ILE 47 N 0.00 0.66 -0.15 1.53 6.09 -1.91 -0.33 117.51 123.40 1odb h ILE 47 Ca -0.20 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 1odb h ILE 47 Cb 1.12 0.76 0.00 0.00 0.47 0.00 0.00 36.82 39.16 1odb h ILE 47 CO 0.29 0.00 0.00 1.17 -3.07 0.00 0.00 178.15 176.54 1odb n LYS 48 N -4.21 1.43 -3.30 2.19 3.00 -1.26 -4.59 118.16 111.43 1odb n LYS 48 Ca 0.07 -0.66 -0.38 0.00 -0.00 0.00 0.00 58.31 57.34 1odb n LYS 48 Cb 0.53 -1.24 -0.06 0.00 0.00 0.00 0.00 35.03 34.26 1odb n LYS 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1odb s ASP 49 N -1.26 6.72 0.27 3.14 1.01 -0.14 -4.98 116.67 121.44 1odb s ASP 49 Ca 0.21 0.85 0.00 0.00 0.71 0.00 0.00 52.55 54.32 1odb s ASP 49 Cb 0.11 -2.30 0.56 0.00 1.01 0.00 0.00 42.92 42.30 1odb s ASP 49 CO 0.16 0.01 1.77 0.50 0.21 0.00 0.00 175.17 177.82 1odb h LYS 50 N 6.62 0.66 -0.77 8.23 3.64 -1.88 -2.09 116.57 130.97 1odb h LYS 50 Ca -0.42 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 1odb h LYS 50 Cb 1.18 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 1odb h LYS 50 CO 0.75 0.43 0.51 0.00 -2.27 0.00 0.00 179.45 178.87 1odb h ALA 51 N 1.57 1.50 -0.07 5.00 0.00 -1.94 -1.90 119.26 123.42 1odb h ALA 51 Ca 0.48 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 55.11 1odb h ALA 51 Cb 0.67 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1odb h ALA 51 CO -0.35 0.44 -0.88 0.28 0.00 0.00 0.00 179.25 178.73 1odb h VAL 52 N 0.99 1.32 -0.13 0.00 2.07 -1.67 -2.60 116.25 116.23 1odb h VAL 52 Ca 0.30 -2.17 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 1odb h VAL 52 Cb -0.03 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1odb h VAL 52 CO -0.08 0.67 0.01 0.40 0.02 0.00 0.00 177.57 178.59 1odb h ILE 53 N 0.40 1.24 -0.92 4.57 2.04 -1.29 -2.45 117.51 121.10 1odb h ILE 53 Ca -0.08 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 65.09 1odb h ILE 53 Cb 1.51 1.51 -0.07 0.00 -0.74 0.00 0.00 36.82 39.03 1odb h ILE 53 CO 0.17 0.23 0.57 0.44 0.00 0.00 0.00 178.15 179.55 1odb h ASP 54 N -0.03 0.86 -0.35 1.72 3.32 -1.39 -1.21 116.42 119.33 1odb h ASP 54 Ca 0.04 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1odb h ASP 54 Cb 0.34 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1odb h ASP 54 CO 0.01 0.51 -0.26 -0.08 -1.72 0.00 0.00 179.24 177.69 1odb h GLU 55 N 0.97 0.86 -0.33 3.56 4.81 -1.39 -2.36 114.58 120.70 1odb h GLU 55 Ca 0.42 -0.38 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1odb h GLU 55 Cb 0.30 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1odb h GLU 55 CO -0.22 1.02 -0.20 0.82 -0.73 0.00 0.00 179.01 179.71 1odb h ILE 56 N 0.74 1.29 -0.19 2.32 2.04 -0.91 -2.49 117.51 120.31 1odb h ILE 56 Ca 0.09 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1odb h ILE 56 Cb 0.81 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1odb h ILE 56 CO 0.07 0.43 0.11 0.15 0.00 0.00 0.00 178.15 178.91 1odb h PHE 57 N 0.50 0.21 -0.77 1.37 3.04 -1.21 -1.46 116.94 118.62 1odb h PHE 57 Ca 0.07 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.07 1odb h PHE 57 Cb 0.74 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.14 1odb h PHE 57 CO 0.06 0.13 0.50 1.96 -2.02 0.00 0.00 178.31 178.94 1odb h GLN 58 N 0.23 0.88 -0.05 1.11 1.08 -1.35 -0.52 115.11 116.50 1odb h GLN 58 Ca 0.07 -0.05 -0.22 0.00 -1.45 0.00 0.00 58.65 57.00 1odb h GLN 58 Cb -0.01 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.23 1odb h GLN 58 CO -0.03 0.58 -0.87 0.78 -0.95 0.00 0.00 178.83 178.34 1odb h GLY 59 N 0.91 0.56 1.62 3.46 0.00 -1.08 -3.24 103.07 105.30 1odb h GLY 59 Ca 0.31 -0.89 -0.15 0.00 0.00 0.00 0.00 47.33 46.60 1odb h GLY 59 CO -0.09 0.79 -0.57 1.41 0.00 0.00 0.00 176.54 178.07 1odb h LEU 60 N 0.31 0.45 -6.50 3.11 3.38 -0.70 -3.38 115.31 111.99 1odb h LEU 60 Ca -0.07 -0.24 -0.72 0.00 0.09 0.00 0.00 57.88 56.94 1odb h LEU 60 Cb 1.48 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 42.02 1odb h LEU 60 CO 0.16 0.92 2.57 -0.67 0.09 0.00 0.00 178.44 181.51 1odb n ASP 61 N -3.92 4.45 0.11 -0.43 2.03 -0.25 -4.77 116.55 113.77 1odb n ASP 61 Ca -0.03 -2.94 0.13 0.00 0.52 0.00 0.00 54.79 52.47 1odb n ASP 61 Cb 0.61 -1.62 0.44 0.00 -0.72 0.00 0.00 41.12 39.83 1odb n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1odb n ALA 62 N 5.76 2.07 0.41 -1.67 0.00 -1.26 -2.02 120.51 123.80 1odb n ALA 62 Ca 0.47 0.01 0.10 0.00 0.00 0.00 0.00 53.44 54.03 1odb n ALA 62 Cb 0.39 -1.44 0.16 0.00 0.00 0.00 0.00 19.45 18.57 1odb n ALA 62 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1odb n ASN 63 N -2.26 3.13 -2.68 0.00 6.94 -1.26 -4.97 115.26 114.16 1odb n ASN 63 Ca 0.04 -1.92 -0.16 0.00 -0.02 0.00 0.00 54.58 52.52 1odb n ASN 63 Cb 0.36 -0.17 -0.00 0.00 -2.36 0.00 0.00 39.78 37.61 1odb n ASN 63 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1odb n GLN 64 N 1.27 -2.68 -0.36 -3.83 3.00 -0.86 -4.85 117.38 109.07 1odb n GLN 64 Ca 0.16 0.63 0.05 0.00 -0.01 0.00 0.00 57.00 57.83 1odb n GLN 64 Cb 0.55 -5.28 0.20 0.00 0.00 0.00 0.00 30.24 25.71 1odb n GLN 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1odb n ASP 65 N -1.99 2.96 -1.94 1.08 5.75 -1.26 -4.92 116.55 116.24 1odb n ASP 65 Ca -0.12 -2.28 -0.20 0.00 -0.01 0.00 0.00 54.79 52.17 1odb n ASP 65 Cb 0.60 -0.45 -0.05 0.00 -1.03 0.00 0.00 41.12 40.19 1odb n ASP 65 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1odb n GLU 66 N 0.50 -1.53 -3.85 0.11 4.71 -1.26 -4.96 120.64 114.37 1odb n GLU 66 Ca 0.15 1.11 -0.11 0.00 -0.01 0.00 0.00 57.16 58.29 1odb n GLU 66 Cb 0.58 -5.61 -0.09 0.00 -1.01 0.00 0.00 31.44 25.30 1odb n GLU 66 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 1odb s GLN 67 N -4.35 0.55 -0.44 3.49 0.00 -1.26 -4.46 119.66 113.19 1odb s GLN 67 Ca 0.00 -0.39 -0.12 0.00 -0.00 0.00 0.00 55.36 54.85 1odb s GLN 67 Cb 0.00 0.23 0.07 0.00 0.00 0.00 0.00 33.01 33.32 1odb s GLN 67 CO 0.00 -0.14 0.31 0.08 0.00 0.00 0.00 175.29 175.54 1odb s VAL 68 N -1.54 4.63 0.89 3.63 1.01 0.28 -4.74 120.40 124.57 1odb s VAL 68 Ca -0.13 -1.25 -0.15 0.00 0.00 0.00 0.00 61.98 60.45 1odb s VAL 68 Cb -0.06 -3.80 0.21 0.00 0.00 0.00 0.00 36.38 32.73 1odb s VAL 68 CO 0.01 -0.52 1.10 -0.90 0.00 0.00 0.00 175.10 174.79 1odb n ASP 69 N 5.03 -0.38 -0.08 3.32 5.68 -1.26 -1.20 116.55 127.66 1odb n ASP 69 Ca -0.11 -1.34 -0.12 0.00 -0.50 0.00 0.00 54.79 52.73 1odb n ASP 69 Cb 0.43 -0.88 -0.05 0.00 -1.14 0.00 0.00 41.12 39.49 1odb n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1odb h PHE 70 N -1.87 0.51 -0.90 2.11 3.57 -1.99 -0.74 116.94 117.63 1odb h PHE 70 Ca -0.37 -0.11 0.15 0.00 3.53 0.00 0.00 57.97 61.17 1odb h PHE 70 Cb 1.04 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 1odb h PHE 70 CO 0.00 0.68 0.58 1.96 -2.23 0.00 0.00 178.31 179.30 1odb h GLN 71 N 0.19 0.66 -0.00 1.11 1.08 -1.96 -0.58 115.11 115.60 1odb h GLN 71 Ca 0.06 -0.04 -0.19 0.00 -1.45 0.00 0.00 58.65 57.03 1odb h GLN 71 Cb 0.52 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 1odb h GLN 71 CO 0.02 0.43 -0.84 0.93 -0.95 0.00 0.00 178.83 178.42 1odb h GLU 72 N 0.68 0.14 -0.11 1.46 5.08 -1.80 -3.00 114.58 117.03 1odb h GLU 72 Ca 0.46 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1odb h GLU 72 Cb 0.76 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1odb h GLU 72 CO -0.21 0.90 -0.13 0.35 -1.00 0.00 0.00 179.01 178.92 1odb h PHE 73 N 0.08 0.17 -0.74 4.33 3.57 0.36 -2.52 116.94 122.19 1odb h PHE 73 Ca -0.03 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.49 1odb h PHE 73 Cb 1.46 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.11 1odb h PHE 73 CO 0.02 0.29 0.49 0.82 -2.23 0.00 0.00 178.31 177.70 1odb h ILE 74 N 0.16 1.09 -0.88 1.41 2.04 -1.12 0.08 117.51 120.28 1odb h ILE 74 Ca 0.03 -0.30 0.14 0.00 1.00 0.00 0.00 64.86 65.73 1odb h ILE 74 Cb 0.33 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 1odb h ILE 74 CO 0.02 0.16 0.57 0.28 0.00 0.00 0.00 178.15 179.18 1odb h SER 75 N 0.88 0.67 -0.37 1.72 0.02 -1.56 -0.39 113.55 114.51 1odb h SER 75 Ca 0.30 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 61.14 1odb h SER 75 Cb 0.10 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1odb h SER 75 CO -0.09 0.35 -0.35 0.25 -1.14 0.00 0.00 176.83 175.84 1odb h LEU 76 N 0.71 0.96 -0.89 5.07 5.85 -1.07 -1.99 115.31 123.96 1odb h LEU 76 Ca 0.44 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1odb h LEU 76 Cb 0.67 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1odb h LEU 76 CO -0.20 1.22 0.59 0.58 -0.34 0.00 0.00 178.44 180.29 1odb h VAL 77 N 0.71 1.22 -0.06 1.05 2.07 -0.82 -0.23 116.25 120.18 1odb h VAL 77 Ca 0.06 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1odb h VAL 77 Cb 0.94 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1odb h VAL 77 CO 0.09 0.22 0.01 0.00 0.02 0.00 0.00 177.57 177.91 1odb h ALA 78 N 1.33 0.06 -0.70 1.67 0.00 -1.00 0.20 119.26 120.82 1odb h ALA 78 Ca 0.33 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.32 1odb h ALA 78 Cb -0.12 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1odb h ALA 78 CO -0.08 -0.47 0.39 0.82 0.00 0.00 0.00 179.25 179.92 1odb h ILE 79 N 0.04 0.96 -0.08 0.00 2.04 -1.04 -1.34 117.51 118.09 1odb h ILE 79 Ca 0.03 -0.25 -0.18 0.00 1.00 0.00 0.00 64.86 65.46 1odb h ILE 79 Cb 0.02 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1odb h ILE 79 CO -0.04 0.13 -0.72 0.00 0.00 0.00 0.00 178.15 177.52 1odb h ALA 80 N 1.37 0.61 -0.20 1.87 0.00 -0.48 -2.12 119.26 120.31 1odb h ALA 80 Ca 0.32 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1odb h ALA 80 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1odb h ALA 80 CO -0.19 0.76 0.06 -0.07 0.00 0.00 0.00 179.25 179.81 1odb h LEU 81 N 0.27 0.29 -1.45 0.00 3.38 -0.40 -0.09 115.31 117.30 1odb h LEU 81 Ca -0.03 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1odb h LEU 81 Cb 1.30 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1odb h LEU 81 CO 0.12 0.42 0.41 0.50 0.09 0.00 0.00 178.44 179.98 1odb h LYS 82 N 0.14 0.68 0.01 1.13 1.63 -1.10 -0.88 116.57 118.19 1odb h LYS 82 Ca 0.06 -0.04 -0.24 0.00 -0.85 0.00 0.00 60.65 59.58 1odb h LYS 82 Cb 0.24 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1odb h LYS 82 CO -0.00 0.45 -0.99 0.00 -3.45 0.00 0.00 179.45 175.46 1odb h ALA 83 N 1.64 0.28 -0.01 5.00 0.00 -0.91 -1.90 119.26 123.36 1odb h ALA 83 Ca 0.25 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 1odb h ALA 83 Cb 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1odb h ALA 83 CO -0.07 0.79 -0.65 0.00 0.00 0.00 0.00 179.25 179.32 1odb h ALA 84 N 0.64 0.90 -0.34 0.00 0.00 -0.56 -2.24 119.26 117.66 1odb h ALA 84 Ca -0.10 -0.58 -0.16 0.00 0.00 0.00 0.00 54.91 54.07 1odb h ALA 84 Cb 1.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1odb h ALA 84 CO 0.18 0.79 -0.43 1.25 0.00 0.00 0.00 179.25 181.04 1odb h HIS 85 N 0.04 1.03 -0.68 0.00 6.17 -1.12 -3.02 115.15 117.57 1odb h HIS 85 Ca -0.01 -0.32 -0.03 0.00 0.71 0.00 0.00 60.37 60.72 1odb h HIS 85 Cb 1.15 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 30.84 1odb h HIS 85 CO 0.01 1.12 0.31 -0.92 0.71 0.00 0.00 177.93 179.16 1odb h TYR 86 N 0.68 0.97 -0.34 5.26 3.20 -1.11 -2.70 116.97 122.93 1odb h TYR 86 Ca 0.05 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1odb h TYR 86 Cb 1.01 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1odb h TYR 86 CO 0.06 0.72 0.23 1.25 -1.64 0.00 0.00 178.16 178.78 1odb h HIS 87 N 0.97 0.30 0.00 -3.82 2.76 -1.28 -0.12 115.15 113.96 1odb h HIS 87 Ca 0.23 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1odb h HIS 87 Cb 0.12 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1odb h HIS 87 CO 0.01 0.18 -0.05 1.79 -1.30 0.00 0.00 177.93 178.56 1odb h THR 88 N 0.32 0.08 -0.06 6.26 1.35 -1.45 -3.13 112.91 116.28 1odb h THR 88 Ca 0.14 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1odb h THR 88 Cb 0.18 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1odb h THR 88 CO -0.03 0.04 0.00 1.41 -0.25 0.00 0.00 175.52 176.69 1odb n HIS 89 N -3.12 0.05 1.75 4.73 -0.00 -0.87 -5.14 115.22 112.62 1odb n HIS 89 Ca 0.03 -0.03 0.15 0.00 -0.00 0.00 0.00 57.72 57.87 1odb n HIS 89 Cb 0.50 -0.00 0.74 0.00 -0.00 0.00 0.00 29.99 31.23 1odb n HIS 89 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97