#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 2.44 0.23 2.46 -4.23 -1.26 -4.88 115.64 110.40 1odb s THR 1 Ca 0.00 0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.50 1odb s THR 1 Cb 0.00 -3.13 0.21 0.00 1.34 0.00 0.00 72.50 70.93 1odb s THR 1 CO 0.00 -0.16 1.90 0.11 -0.54 0.00 0.00 174.62 175.93 1odb h LYS 2 N -0.86 1.20 -0.40 3.99 1.57 -2.06 -0.35 116.57 119.66 1odb h LYS 2 Ca -0.45 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.14 1odb h LYS 2 Cb 1.31 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1odb h LYS 2 CO 0.64 0.81 -0.17 1.25 -0.57 0.00 0.00 179.45 181.41 1odb h LEU 3 N 1.23 0.83 -1.24 2.94 6.46 -2.00 -2.48 115.31 121.05 1odb h LEU 3 Ca 0.33 -0.39 -0.07 0.00 -0.12 0.00 0.00 57.88 57.63 1odb h LEU 3 Cb -0.12 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.57 1odb h LEU 3 CO -0.07 1.04 -0.21 -0.33 -0.62 0.00 0.00 178.44 178.25 1odb h GLU 4 N 0.62 0.26 -0.60 1.25 5.08 -1.83 -1.59 114.58 117.76 1odb h GLU 4 Ca 0.09 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1odb h GLU 4 Cb 0.71 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1odb h GLU 4 CO 0.05 0.46 -0.02 0.93 -1.00 0.00 0.00 179.01 179.44 1odb h GLU 5 N 0.23 1.06 -0.62 2.33 5.08 -0.85 -1.16 114.58 120.66 1odb h GLU 5 Ca 0.04 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 1odb h GLU 5 Cb 0.51 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1odb h GLU 5 CO 0.03 1.04 0.09 0.45 -1.00 0.00 0.00 179.01 179.63 1odb h HIS 6 N 0.96 1.07 -0.38 4.33 3.86 -0.98 -0.80 115.15 123.22 1odb h HIS 6 Ca 0.17 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1odb h HIS 6 Cb 0.58 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1odb h HIS 6 CO 0.04 0.91 0.01 -0.07 0.86 0.00 0.00 177.93 179.68 1odb h LEU 7 N 0.95 0.65 -1.23 2.43 3.38 -1.18 -1.64 115.31 118.66 1odb h LEU 7 Ca 0.19 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1odb h LEU 7 Cb 0.43 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1odb h LEU 7 CO 0.01 0.80 0.20 -0.08 0.09 0.00 0.00 178.44 179.46 1odb h GLU 8 N 0.49 0.73 -0.24 1.13 4.81 -1.04 -2.08 114.58 118.38 1odb h GLU 8 Ca 0.11 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 1odb h GLU 8 Cb 0.46 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1odb h GLU 8 CO 0.02 0.61 -0.41 0.78 -0.73 0.00 0.00 179.01 179.27 1odb h GLY 9 N 0.87 0.64 0.98 1.92 0.00 -0.90 -0.05 103.07 106.52 1odb h GLY 9 Ca 0.17 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1odb h GLY 9 CO -0.02 0.58 0.12 -2.22 0.00 0.00 0.00 176.54 175.00 1odb h ILE 10 N 0.48 1.24 -0.63 2.60 2.04 -0.95 -0.92 117.51 121.37 1odb h ILE 10 Ca 0.04 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1odb h ILE 10 Cb 0.92 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1odb h ILE 10 CO 0.08 0.31 0.37 0.58 0.00 0.00 0.00 178.15 179.49 1odb h VAL 11 N 0.71 1.19 -0.40 1.67 2.07 -1.02 -1.21 116.25 119.26 1odb h VAL 11 Ca 0.16 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1odb h VAL 11 Cb 0.34 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1odb h VAL 11 CO 0.00 0.20 0.21 0.78 0.02 0.00 0.00 177.57 178.79 1odb h ASN 12 N 0.86 0.33 -0.36 0.57 2.35 -0.85 -1.81 115.58 116.67 1odb h ASN 12 Ca 0.23 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.87 1odb h ASN 12 Cb -0.00 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1odb h ASN 12 CO -0.04 0.24 -0.18 0.40 -1.65 0.00 0.00 177.43 176.20 1odb h ILE 13 N 0.44 1.27 -0.47 2.81 2.04 -0.89 -1.70 117.51 121.00 1odb h ILE 13 Ca 0.16 -1.30 0.08 0.00 1.00 0.00 0.00 64.86 64.80 1odb h ILE 13 Cb 0.04 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1odb h ILE 13 CO -0.10 0.44 0.10 0.15 0.00 0.00 0.00 178.15 178.74 1odb h PHE 14 N 0.74 0.16 0.00 1.37 3.57 -0.88 -2.46 116.94 119.43 1odb h PHE 14 Ca 0.11 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 1odb h PHE 14 Cb 0.70 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1odb h PHE 14 CO 0.04 0.00 -0.36 0.45 -2.23 0.00 0.00 178.31 176.21 1odb h HIS 15 N 0.23 0.00 0.00 0.41 3.86 -0.70 0.52 115.15 119.47 1odb h HIS 15 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1odb h HIS 15 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1odb h HIS 15 CO -0.22 0.36 0.00 -0.56 0.86 0.00 0.00 177.93 178.37 1odb h GLN 16 N 0.00 0.00 0.00 2.45 3.07 -0.83 -2.58 115.11 117.22 1odb h GLN 16 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.36 1odb h GLN 16 Cb 0.75 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.24 1odb h GLN 16 CO 0.05 0.00 -2.41 0.66 0.09 0.00 0.00 178.83 177.22 1odb n TYR 17 N -3.08 0.04 0.05 0.06 4.01 -0.85 -4.57 117.16 112.82 1odb n TYR 17 Ca 0.00 0.01 -0.02 0.00 -0.16 0.00 0.00 57.90 57.74 1odb n TYR 17 Cb 0.29 -1.01 0.25 0.00 -0.31 0.00 0.00 39.34 38.56 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 0.38 0.67 7.72 4.64 -0.74 -2.95 113.55 123.28 1odb h SER 18 Ca -0.56 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 1odb h SER 18 Cb 2.09 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 1odb h SER 18 CO -0.02 0.64 0.00 1.33 -0.87 0.00 0.00 176.83 177.91 1odb n VAL 19 N -4.14 0.79 0.14 0.95 0.24 -0.99 -4.23 118.33 111.11 1odb n VAL 19 Ca -0.01 0.18 -0.14 0.00 -2.04 0.00 0.00 64.34 62.34 1odb n VAL 19 Cb 0.39 -0.94 -0.08 0.00 -1.47 0.00 0.00 33.84 31.74 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 -0.33 -4.90 7.34 3.08 -1.78 -3.46 114.38 114.34 1odb h ARG 20 Ca 0.00 0.02 -0.29 0.00 0.07 0.00 0.00 59.98 59.78 1odb h ARG 20 Cb 0.34 0.08 -0.16 0.00 0.08 0.00 0.00 29.97 30.30 1odb h ARG 20 CO 0.00 -0.06 -0.72 0.15 -1.07 0.00 0.00 179.97 178.27 1odb s LYS 21 N -5.18 0.91 5.13 0.04 -0.14 -1.26 -5.11 119.74 114.14 1odb s LYS 21 Ca -0.15 -1.30 0.00 0.00 -1.36 0.00 0.00 55.97 53.16 1odb s LYS 21 Cb 0.03 -0.46 0.00 0.00 -1.68 0.00 0.00 37.83 35.72 1odb s LYS 21 CO 0.60 0.05 0.00 0.41 -0.76 0.00 0.00 175.35 175.65 1odb n GLY 22 N 0.15 2.70 3.73 -3.33 0.00 -1.26 -4.53 105.19 102.65 1odb n GLY 22 Ca -0.13 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1odb n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1odb s HIS 23 N 0.00 2.87 0.22 1.61 5.65 -1.26 -4.87 115.29 119.51 1odb s HIS 23 Ca 0.00 0.42 0.36 0.00 0.25 0.00 0.00 55.06 56.09 1odb s HIS 23 Cb 0.00 -4.13 1.64 0.00 -1.18 0.00 0.00 32.58 28.91 1odb s HIS 23 CO 0.00 -4.21 2.07 0.27 -0.65 0.00 0.00 174.74 172.22 1odb h PHE 24 N 6.44 0.00 -0.16 3.88 -5.15 -1.80 -3.13 116.94 117.02 1odb h PHE 24 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1odb h PHE 24 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.37 1odb h PHE 24 CO 0.63 0.00 0.00 -3.47 -2.00 0.00 0.00 178.31 173.47 1odb n ASP 25 N -3.02 2.72 -4.26 -0.68 2.03 -1.26 -2.48 116.55 109.60 1odb n ASP 25 Ca -0.00 -2.37 -0.14 0.00 0.52 0.00 0.00 54.79 52.79 1odb n ASP 25 Cb 0.23 -0.25 -0.10 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.65 0.78 -0.27 5.18 -4.23 -1.18 -4.22 115.64 110.05 1odb s THR 26 Ca 0.21 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.64 1odb s THR 26 Cb 0.15 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 1odb s THR 26 CO 0.07 -0.45 0.11 -0.76 -0.54 0.00 0.00 174.62 173.06 1odb s LEU 27 N -3.21 3.72 1.19 4.79 1.43 -0.29 -4.59 118.68 121.72 1odb s LEU 27 Ca 0.25 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 1odb s LEU 27 Cb 0.06 -1.97 0.28 0.00 0.03 0.00 0.00 46.19 44.59 1odb s LEU 27 CO 0.05 -0.09 1.03 -0.94 0.23 0.00 0.00 176.35 176.64 1odb s SER 28 N 1.63 0.92 0.17 2.29 1.04 -1.26 -0.80 113.70 117.68 1odb s SER 28 Ca 0.06 1.17 -0.12 0.00 0.48 0.00 0.00 55.95 57.54 1odb s SER 28 Cb -0.16 -1.78 0.07 0.00 0.10 0.00 0.00 66.02 64.25 1odb s SER 28 CO 0.05 -4.19 1.72 0.50 0.98 0.00 0.00 173.24 172.30 1odb h LYS 29 N -2.62 0.89 -0.50 4.02 3.64 -1.99 -0.95 116.57 119.07 1odb h LYS 29 Ca -0.55 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 58.67 1odb h LYS 29 Cb 1.33 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1odb h LYS 29 CO 0.47 0.78 0.32 0.78 -2.27 0.00 0.00 179.45 179.53 1odb h GLY 30 N 0.82 0.70 0.91 5.01 0.00 -1.98 0.23 103.07 108.76 1odb h GLY 30 Ca 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1odb h GLY 30 CO -0.01 0.24 0.10 0.83 0.00 0.00 0.00 176.54 177.70 1odb h GLU 31 N 0.66 0.42 -0.98 4.80 5.08 -1.86 -1.97 114.58 120.74 1odb h GLU 31 Ca 0.19 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1odb h GLU 31 Cb -0.06 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1odb h GLU 31 CO -0.05 0.46 0.64 1.25 -1.00 0.00 0.00 179.01 180.31 1odb h LEU 32 N 0.30 1.09 -0.68 1.33 5.85 -0.88 -1.11 115.31 121.20 1odb h LEU 32 Ca 0.09 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1odb h LEU 32 Cb 0.20 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1odb h LEU 32 CO -0.01 0.76 0.27 0.50 -0.34 0.00 0.00 178.44 179.62 1odb h LYS 33 N 1.27 1.03 -0.56 1.25 3.64 -0.31 -1.01 116.57 121.87 1odb h LYS 33 Ca 0.38 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1odb h LYS 33 Cb -0.05 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 1odb h LYS 33 CO -0.11 0.86 0.30 1.96 -2.27 0.00 0.00 179.45 180.18 1odb h GLN 34 N 0.97 0.80 -0.25 1.90 4.20 -0.98 -1.72 115.11 120.02 1odb h GLN 34 Ca 0.23 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1odb h GLN 34 Cb 0.22 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1odb h GLN 34 CO -0.02 0.63 0.12 1.25 -0.67 0.00 0.00 178.83 180.14 1odb h LEU 35 N 0.76 0.33 -0.14 1.46 6.46 -0.62 -2.05 115.31 121.51 1odb h LEU 35 Ca 0.20 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1odb h LEU 35 Cb 0.07 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 1odb h LEU 35 CO -0.03 0.36 0.09 -0.07 -0.62 0.00 0.00 178.44 178.17 1odb h LEU 36 N 0.27 0.17 -0.61 2.25 3.38 -1.11 0.20 115.31 119.86 1odb h LEU 36 Ca 0.09 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1odb h LEU 36 Cb 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1odb h LEU 36 CO -0.01 0.15 -0.56 0.71 0.09 0.00 0.00 178.44 178.82 1odb h THR 37 N 0.17 1.34 0.00 0.22 1.35 -1.21 -1.45 112.91 113.33 1odb h THR 37 Ca 0.05 -1.84 -0.09 0.00 -0.55 0.00 0.00 66.41 63.98 1odb h THR 37 Cb 0.01 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 1odb h THR 37 CO -0.01 0.56 -0.60 0.50 -0.25 0.00 0.00 175.52 175.72 1odb h LYS 38 N 0.31 0.00 0.00 4.72 3.11 -1.37 -3.36 116.57 119.98 1odb h LYS 38 Ca 0.00 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 1odb h LYS 38 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.29 1odb h LYS 38 CO 0.10 0.59 -0.98 0.93 -2.81 0.00 0.00 179.45 177.28 1odb h GLU 39 N -1.00 0.00 -0.20 1.90 4.39 -0.70 -3.32 114.58 115.65 1odb h GLU 39 Ca -0.13 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.45 1odb h GLU 39 Cb 0.84 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.41 1odb h GLU 39 CO -0.08 0.15 -0.36 1.28 -1.16 0.00 0.00 179.01 178.84 1odb n LEU 40 N -2.86 3.48 -0.13 1.33 4.32 -0.55 -4.82 117.00 117.77 1odb n LEU 40 Ca -0.03 -3.95 -0.02 0.00 -0.02 0.00 0.00 56.01 51.99 1odb n LEU 40 Cb 0.67 -0.56 0.20 0.00 -1.62 0.00 0.00 43.42 42.11 1odb n LEU 40 CO 0.40 1.42 1.01 0.00 -1.22 0.00 0.00 177.39 179.00 1odb h ALA 41 N 1.11 1.25 -0.02 -1.18 0.00 -1.65 -2.45 119.26 116.33 1odb h ALA 41 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1odb h ALA 41 Cb 1.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1odb h ALA 41 CO 0.23 0.53 -0.12 0.09 0.00 0.00 0.00 179.25 179.97 1odb n ASN 42 N -4.29 1.62 -0.09 0.00 3.02 -1.26 -4.42 115.26 109.84 1odb n ASN 42 Ca 0.04 -1.39 -0.11 0.00 -0.03 0.00 0.00 54.58 53.09 1odb n ASN 42 Cb 0.20 0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.08 1.12 -3.82 3.41 -1.04 -0.96 -4.93 114.28 108.13 1odb n THR 43 Ca 0.15 -0.52 -0.36 0.00 -2.04 0.00 0.00 64.05 61.27 1odb n THR 43 Cb 0.40 -0.97 -0.13 0.00 -1.82 0.00 0.00 70.33 67.81 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 -2.39 3.57 0.31 12.58 1.01 -0.97 -5.05 121.20 130.26 1odb s ILE 44 Ca -0.20 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.26 1odb s ILE 44 Cb 0.06 -2.88 -0.12 0.00 0.01 0.00 0.00 42.46 39.53 1odb s ILE 44 CO 0.53 0.06 1.48 0.29 0.00 0.00 0.00 174.94 177.29 1odb n LYS 45 N 4.79 2.46 -4.07 2.79 5.02 -1.26 -3.74 118.16 124.14 1odb n LYS 45 Ca -0.15 0.87 -0.28 0.00 -2.02 0.00 0.00 58.31 56.73 1odb n LYS 45 Cb 0.47 -2.58 -0.04 0.00 -0.02 0.00 0.00 35.03 32.86 1odb n LYS 45 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1odb n ASN 46 N 1.54 -0.36 0.23 4.39 5.03 -1.26 -4.89 115.26 119.94 1odb n ASN 46 Ca 0.07 -1.07 0.16 0.00 0.87 0.00 0.00 54.58 54.60 1odb n ASN 46 Cb 0.36 -2.67 0.65 0.00 -1.02 0.00 0.00 39.78 37.10 1odb n ASN 46 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.26 175.59 1odb h ILE 47 N -1.78 0.00 -0.00 2.41 3.07 -1.96 -2.91 117.51 116.34 1odb h ILE 47 Ca -0.63 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 65.39 1odb h ILE 47 Cb 1.38 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 39.22 1odb h ILE 47 CO 0.66 0.00 0.00 2.29 -1.05 0.00 0.00 178.15 180.05 1odb n LYS 48 N -2.79 1.00 -3.72 0.16 -0.00 -1.26 -4.65 118.16 106.90 1odb n LYS 48 Ca 0.01 -0.01 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1odb n LYS 48 Cb 0.26 -1.20 -0.05 0.00 -0.00 0.00 0.00 35.03 34.04 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 -1.40 6.53 0.08 -5.58 1.01 -1.10 -5.03 116.67 111.18 1odb s ASP 49 Ca 0.19 0.62 -0.32 0.00 0.71 0.00 0.00 52.55 53.75 1odb s ASP 49 Cb 0.09 -2.11 -0.17 0.00 1.01 0.00 0.00 42.92 41.74 1odb s ASP 49 CO 0.15 0.25 1.63 0.50 0.21 0.00 0.00 175.17 177.91 1odb h LYS 50 N 3.99 -0.77 -0.40 8.23 3.64 -1.90 -3.12 116.57 126.25 1odb h LYS 50 Ca -0.50 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1odb h LYS 50 Cb 1.20 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 33.14 1odb h LYS 50 CO 0.66 -0.51 -0.23 0.00 -2.27 0.00 0.00 179.45 177.09 1odb n ALA 51 N -2.49 -0.25 -0.13 5.00 0.00 -1.26 -1.79 120.51 119.58 1odb n ALA 51 Ca -0.12 0.34 -0.08 0.00 0.00 0.00 0.00 53.44 53.57 1odb n ALA 51 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1odb n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1odb h VAL 52 N 0.00 1.12 -0.14 0.00 2.07 -1.81 -0.75 116.25 116.74 1odb h VAL 52 Ca 0.06 -0.26 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 1odb h VAL 52 Cb 0.16 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1odb h VAL 52 CO -0.37 0.12 -0.57 -0.29 0.02 0.00 0.00 177.57 176.48 1odb h ILE 53 N 0.54 1.34 -0.72 4.57 -0.00 -1.44 -1.84 117.51 119.95 1odb h ILE 53 Ca 0.15 -1.85 -0.02 0.00 -0.00 0.00 0.00 64.86 63.13 1odb h ILE 53 Cb -0.02 1.85 -0.03 0.00 -0.00 0.00 0.00 36.82 38.62 1odb h ILE 53 CO -0.03 0.56 0.36 0.44 -0.00 0.00 0.00 178.15 179.49 1odb h ASP 54 N 0.33 0.93 -0.08 2.19 3.32 -0.82 -1.21 116.42 121.08 1odb h ASP 54 Ca 0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1odb h ASP 54 Cb 1.09 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1odb h ASP 54 CO 0.10 0.79 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.06 1odb h GLU 55 N 1.00 0.16 -0.17 3.56 4.39 -1.09 -2.99 114.58 119.45 1odb h GLU 55 Ca 0.25 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1odb h GLU 55 Cb 0.09 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1odb h GLU 55 CO -0.03 0.48 0.03 0.82 -1.16 0.00 0.00 179.01 179.14 1odb h ILE 56 N -0.17 1.21 -0.15 3.13 2.04 -1.25 -2.29 117.51 120.03 1odb h ILE 56 Ca 0.02 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.24 1odb h ILE 56 Cb 0.42 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1odb h ILE 56 CO 0.01 0.21 -0.18 0.15 0.00 0.00 0.00 178.15 178.34 1odb h PHE 57 N 0.07 -0.46 -0.55 1.37 3.04 -1.31 -0.82 116.94 118.28 1odb h PHE 57 Ca 0.05 0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.12 1odb h PHE 57 Cb 0.29 0.23 -0.07 0.00 2.56 0.00 0.00 35.95 38.95 1odb h PHE 57 CO 0.01 -0.25 0.14 1.96 -2.02 0.00 0.00 178.31 178.15 1odb h GLN 58 N -0.22 0.28 -0.19 1.11 4.20 -1.45 -1.32 115.11 117.52 1odb h GLN 58 Ca 0.10 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1odb h GLN 58 Cb 0.37 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1odb h GLN 58 CO -0.27 0.19 -0.23 0.78 -0.67 0.00 0.00 178.83 178.62 1odb h GLY 59 N 0.29 0.38 1.78 3.46 0.00 -1.15 -3.06 103.07 104.77 1odb h GLY 59 Ca 0.28 -0.28 -0.23 0.00 0.00 0.00 0.00 47.33 47.09 1odb h GLY 59 CO -0.33 0.26 -1.05 1.41 0.00 0.00 0.00 176.54 176.83 1odb h LEU 60 N 0.31 0.25 -6.92 3.11 3.38 -0.79 -3.39 115.31 111.27 1odb h LEU 60 Ca 0.05 -0.25 -0.75 0.00 0.09 0.00 0.00 57.88 57.03 1odb h LEU 60 Cb 0.58 -0.08 -0.16 0.00 0.09 0.00 0.00 40.66 41.09 1odb h LEU 60 CO 0.04 1.14 1.82 -0.67 0.09 0.00 0.00 178.44 180.86 1odb n ASP 61 N -3.52 5.10 0.18 -0.43 2.03 -0.53 -4.75 116.55 114.64 1odb n ASP 61 Ca -0.04 -3.05 0.14 0.00 0.52 0.00 0.00 54.79 52.35 1odb n ASP 61 Cb 0.93 -1.52 0.51 0.00 -0.72 0.00 0.00 41.12 40.31 1odb n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1odb h ALA 62 N 6.29 1.00 -0.49 -1.67 0.00 -1.76 -2.12 119.26 120.51 1odb h ALA 62 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1odb h ALA 62 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1odb h ALA 62 CO 1.49 0.00 0.00 0.27 0.00 0.00 0.00 179.25 181.01 1odb n ASN 63 N -2.60 3.50 -3.44 0.00 6.94 -1.26 -5.00 115.26 113.40 1odb n ASN 63 Ca 0.02 -2.12 -0.25 0.00 -0.02 0.00 0.00 54.58 52.22 1odb n ASN 63 Cb 0.32 -0.37 0.02 0.00 -2.36 0.00 0.00 39.78 37.39 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 0.85 -4.89 -0.33 -3.83 6.02 -0.80 -4.85 117.38 109.54 1odb n GLN 64 Ca 0.18 0.68 0.12 0.00 -0.01 0.00 0.00 57.00 57.96 1odb n GLN 64 Cb 0.57 -5.52 0.30 0.00 1.02 0.00 0.00 30.24 26.61 1odb n GLN 64 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1odb n ASP 65 N -2.58 3.81 -1.16 1.08 5.75 -1.26 -4.95 116.55 117.24 1odb n ASP 65 Ca -0.03 -2.00 -0.14 0.00 -0.01 0.00 0.00 54.79 52.62 1odb n ASP 65 Cb 0.56 -0.44 -0.05 0.00 -1.03 0.00 0.00 41.12 40.17 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 1.61 -0.99 -4.07 0.11 1.02 -1.26 -5.01 120.64 112.05 1odb n GLU 66 Ca 0.23 0.93 -0.13 0.00 -0.02 0.00 0.00 57.16 58.16 1odb n GLU 66 Cb 0.61 -5.05 -0.13 0.00 -0.02 0.00 0.00 31.44 26.86 1odb n GLU 66 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1odb s GLN 67 N -3.47 0.42 -0.38 3.49 -1.52 -1.26 -4.50 119.66 112.45 1odb s GLN 67 Ca 0.00 -0.48 -0.09 0.00 -1.95 0.00 0.00 55.36 52.83 1odb s GLN 67 Cb 0.00 -0.26 0.04 0.00 -0.22 0.00 0.00 33.01 32.57 1odb s GLN 67 CO 0.00 0.06 0.19 0.08 -0.25 0.00 0.00 175.29 175.36 1odb s VAL 68 N -0.85 4.24 0.77 1.09 1.01 0.02 -4.73 120.40 121.94 1odb s VAL 68 Ca -0.06 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 60.77 1odb s VAL 68 Cb -0.06 -3.44 0.16 0.00 0.00 0.00 0.00 36.38 33.04 1odb s VAL 68 CO 0.00 -0.29 1.05 -0.90 0.00 0.00 0.00 175.10 174.96 1odb n ASP 69 N 4.92 0.79 -0.28 3.32 5.68 -1.26 -1.14 116.55 128.58 1odb n ASP 69 Ca -0.11 -1.81 -0.04 0.00 -0.50 0.00 0.00 54.79 52.32 1odb n ASP 69 Cb 0.45 -0.73 0.07 0.00 -1.14 0.00 0.00 41.12 39.76 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 -1.04 0.98 -0.91 2.11 3.57 -1.99 -0.81 116.94 118.85 1odb h PHE 70 Ca -0.34 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.17 1odb h PHE 70 Cb 1.12 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 1odb h PHE 70 CO 0.00 0.62 0.56 1.96 -2.23 0.00 0.00 178.31 179.22 1odb h GLN 71 N 1.05 1.22 -0.43 1.11 1.08 -1.96 -2.06 115.11 115.13 1odb h GLN 71 Ca 0.28 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 57.26 1odb h GLN 71 Cb -0.11 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.05 1odb h GLN 71 CO -0.06 0.85 -0.18 0.93 -0.95 0.00 0.00 178.83 179.42 1odb h GLU 72 N 1.24 0.83 0.00 1.46 5.08 -1.75 -2.84 114.58 118.60 1odb h GLU 72 Ca 0.33 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1odb h GLU 72 Cb -0.07 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1odb h GLU 72 CO -0.06 0.95 -0.16 0.35 -1.00 0.00 0.00 179.01 179.08 1odb h PHE 73 N 0.73 0.00 0.00 4.33 3.57 -0.68 -1.41 116.94 123.48 1odb h PHE 73 Ca 0.11 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1odb h PHE 73 Cb 0.70 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1odb h PHE 73 CO 0.04 0.16 -0.06 0.82 -2.23 0.00 0.00 178.31 177.04 1odb h ILE 74 N 0.00 0.94 -0.29 1.41 2.04 -1.13 -0.46 117.51 120.02 1odb h ILE 74 Ca -0.00 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1odb h ILE 74 Cb 0.30 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1odb h ILE 74 CO 0.02 0.06 0.03 0.28 0.00 0.00 0.00 178.15 178.54 1odb h SER 75 N 0.00 0.39 -0.54 1.72 0.02 -1.36 -0.55 113.55 113.23 1odb h SER 75 Ca -0.00 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 1odb h SER 75 Cb 0.11 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1odb h SER 75 CO 0.01 0.43 -0.07 0.25 -1.14 0.00 0.00 176.83 176.31 1odb h LEU 76 N 0.42 1.01 -1.18 5.07 5.85 -1.19 -2.14 115.31 123.14 1odb h LEU 76 Ca 0.10 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1odb h LEU 76 Cb 0.23 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1odb h LEU 76 CO 0.00 1.10 0.33 0.58 -0.34 0.00 0.00 178.44 180.11 1odb h VAL 77 N 0.91 1.20 -0.29 1.05 2.07 -0.86 -1.09 116.25 119.24 1odb h VAL 77 Ca 0.15 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1odb h VAL 77 Cb 0.63 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1odb h VAL 77 CO 0.04 0.23 0.02 0.00 0.02 0.00 0.00 177.57 177.89 1odb h ALA 78 N 1.46 0.39 -0.63 1.67 0.00 -0.88 0.17 119.26 121.44 1odb h ALA 78 Ca 0.23 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1odb h ALA 78 Cb 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1odb h ALA 78 CO -0.03 0.11 0.35 0.82 0.00 0.00 0.00 179.25 180.50 1odb h ILE 79 N 0.31 0.97 -0.05 0.00 2.04 -0.76 -1.87 117.51 118.15 1odb h ILE 79 Ca 0.09 -0.22 -0.17 0.00 1.00 0.00 0.00 64.86 65.56 1odb h ILE 79 Cb 0.39 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1odb h ILE 79 CO 0.01 0.12 -0.70 0.00 0.00 0.00 0.00 178.15 177.58 1odb h ALA 80 N 1.33 0.72 -0.22 1.87 0.00 -0.96 -2.71 119.26 119.29 1odb h ALA 80 Ca 0.28 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1odb h ALA 80 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1odb h ALA 80 CO -0.17 0.79 0.01 -0.07 0.00 0.00 0.00 179.25 179.81 1odb h LEU 81 N 0.17 0.38 -0.75 0.00 3.38 -0.40 -0.24 115.31 117.85 1odb h LEU 81 Ca -0.02 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.69 1odb h LEU 81 Cb 1.25 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1odb h LEU 81 CO 0.11 0.57 0.47 0.11 0.09 0.00 0.00 178.44 179.79 1odb h LYS 82 N 0.17 0.89 -0.49 1.13 1.57 -1.28 0.20 116.57 118.77 1odb h LYS 82 Ca 0.07 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1odb h LYS 82 Cb 0.37 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1odb h LYS 82 CO 0.01 0.59 0.10 0.00 -0.57 0.00 0.00 179.45 179.58 1odb h ALA 83 N 1.32 1.26 -0.31 3.86 0.00 -1.38 -1.00 119.26 123.02 1odb h ALA 83 Ca 0.30 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1odb h ALA 83 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1odb h ALA 83 CO -0.11 0.51 -0.26 0.00 0.00 0.00 0.00 179.25 179.39 1odb h ALA 84 N 1.39 0.45 -0.95 0.00 0.00 0.11 -1.26 119.26 119.00 1odb h ALA 84 Ca 0.16 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1odb h ALA 84 Cb 0.30 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1odb h ALA 84 CO 0.00 0.44 0.63 1.25 0.00 0.00 0.00 179.25 181.57 1odb h HIS 85 N 0.47 1.19 -0.46 0.00 6.17 -0.46 -2.03 115.15 120.05 1odb h HIS 85 Ca 0.05 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.12 1odb h HIS 85 Cb 0.82 -0.40 -0.02 0.00 2.52 0.00 0.00 27.41 30.33 1odb h HIS 85 CO 0.07 0.75 0.11 -0.92 0.71 0.00 0.00 177.93 178.65 1odb h TYR 86 N 1.29 0.78 -0.45 5.26 3.20 -0.99 -2.92 116.97 123.14 1odb h TYR 86 Ca 0.35 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 1odb h TYR 86 Cb -0.15 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 37.88 1odb h TYR 86 CO -0.00 0.71 0.13 1.25 -1.64 0.00 0.00 178.16 178.60 1odb h HIS 87 N 0.61 0.67 -0.09 -3.82 2.76 -0.60 -1.79 115.15 112.90 1odb h HIS 87 Ca 0.14 -0.04 -0.10 0.00 -2.20 0.00 0.00 60.37 58.16 1odb h HIS 87 Cb 0.33 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1odb h HIS 87 CO 0.02 0.56 -0.42 1.79 -1.30 0.00 0.00 177.93 178.58 1odb h THR 88 N 0.65 1.31 -0.00 6.26 1.35 -1.27 -2.59 112.91 118.62 1odb h THR 88 Ca 0.15 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 1odb h THR 88 Cb 0.22 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1odb h THR 88 CO -0.01 0.45 -0.06 1.41 -0.25 0.00 0.00 175.52 177.07 1odb n HIS 89 N -4.02 0.00 0.72 4.73 -0.00 -0.88 -5.13 115.22 110.64 1odb n HIS 89 Ca -0.02 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.76 1odb n HIS 89 Cb 0.48 -0.46 0.34 0.00 -0.00 0.00 0.00 29.99 30.35 1odb n HIS 89 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97