#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 2.41 0.27 2.46 -4.23 -1.26 -4.85 115.64 110.43 1odb s THR 1 Ca 0.00 0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.63 1odb s THR 1 Cb 0.00 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 71.04 1odb s THR 1 CO 0.00 -0.17 1.77 0.07 -0.54 0.00 0.00 174.62 175.75 1odb h LYS 2 N -1.28 0.75 -0.54 3.99 -0.00 -2.06 -0.15 116.57 117.28 1odb h LYS 2 Ca -0.49 -0.20 -0.00 0.00 -0.00 0.00 0.00 60.65 59.96 1odb h LYS 2 Cb 1.31 -0.09 -0.03 0.00 -0.00 0.00 0.00 32.23 33.42 1odb h LYS 2 CO 0.62 0.77 0.32 1.25 -0.00 0.00 0.00 179.45 182.41 1odb h LEU 3 N 0.70 0.66 -0.95 7.07 6.46 -2.00 -1.61 115.31 125.64 1odb h LEU 3 Ca 0.14 -0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.73 1odb h LEU 3 Cb 0.45 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1odb h LEU 3 CO 0.02 0.53 -0.35 -0.33 -0.62 0.00 0.00 178.44 177.68 1odb h GLU 4 N 0.73 0.32 -0.41 1.25 5.08 -1.73 -1.66 114.58 118.16 1odb h GLU 4 Ca 0.19 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1odb h GLU 4 Cb -0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1odb h GLU 4 CO -0.04 0.64 -0.09 0.93 -1.00 0.00 0.00 179.01 179.45 1odb h GLU 5 N 0.28 0.71 -0.44 2.33 5.08 -0.80 -0.80 114.58 120.95 1odb h GLU 5 Ca 0.03 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1odb h GLU 5 Cb 0.76 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1odb h GLU 5 CO 0.06 0.79 -0.08 0.45 -1.00 0.00 0.00 179.01 179.22 1odb h HIS 6 N 0.65 0.84 -0.22 4.33 3.86 -0.68 -0.43 115.15 123.50 1odb h HIS 6 Ca 0.12 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1odb h HIS 6 Cb 0.54 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1odb h HIS 6 CO 0.03 0.82 -0.01 -0.07 0.86 0.00 0.00 177.93 179.55 1odb h LEU 7 N 0.70 0.39 -0.71 2.43 3.38 -1.02 -1.95 115.31 118.52 1odb h LEU 7 Ca 0.12 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1odb h LEU 7 Cb 0.55 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1odb h LEU 7 CO 0.03 0.62 0.46 -0.08 0.09 0.00 0.00 178.44 179.56 1odb h GLU 8 N 0.15 0.91 -0.98 1.13 4.81 -1.01 -2.36 114.58 117.22 1odb h GLU 8 Ca 0.06 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1odb h GLU 8 Cb 0.43 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1odb h GLU 8 CO 0.01 0.60 0.65 0.78 -0.73 0.00 0.00 179.01 180.32 1odb h GLY 9 N 0.93 1.40 1.02 1.92 0.00 -0.90 0.99 103.07 108.43 1odb h GLY 9 Ca 0.27 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1odb h GLY 9 CO -0.07 0.48 0.17 -2.22 0.00 0.00 0.00 176.54 174.89 1odb h ILE 10 N 1.30 1.25 -0.36 2.60 2.04 -1.03 -1.38 117.51 121.93 1odb h ILE 10 Ca 0.37 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1odb h ILE 10 Cb -0.11 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1odb h ILE 10 CO -0.09 0.33 0.14 0.58 0.00 0.00 0.00 178.15 179.11 1odb h VAL 11 N 0.88 1.19 -0.98 1.67 2.07 -0.94 -1.52 116.25 118.63 1odb h VAL 11 Ca 0.19 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1odb h VAL 11 Cb 0.33 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 1odb h VAL 11 CO -0.00 0.21 0.63 0.78 0.02 0.00 0.00 177.57 179.21 1odb h ASN 12 N 0.43 0.99 -0.02 0.57 2.35 -0.56 -1.71 115.58 117.62 1odb h ASN 12 Ca 0.12 0.01 -0.23 0.00 -0.55 0.00 0.00 56.30 55.65 1odb h ASN 12 Cb 0.19 -0.20 0.02 0.00 0.05 0.00 0.00 38.32 38.38 1odb h ASN 12 CO -0.01 0.62 -0.88 0.40 -1.65 0.00 0.00 177.43 175.91 1odb h ILE 13 N 1.11 1.32 -0.39 2.81 2.04 -0.97 -1.46 117.51 121.97 1odb h ILE 13 Ca 0.43 -2.15 0.08 0.00 1.00 0.00 0.00 64.86 64.21 1odb h ILE 13 Cb 0.22 2.38 -0.08 0.00 -0.74 0.00 0.00 36.82 38.60 1odb h ILE 13 CO -0.17 0.66 -0.15 0.15 0.00 0.00 0.00 178.15 178.63 1odb h PHE 14 N 0.28 -0.36 -0.12 1.37 3.57 -1.09 -2.86 116.94 117.73 1odb h PHE 14 Ca -0.10 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1odb h PHE 14 Cb 1.55 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 1odb h PHE 14 CO 0.11 -0.23 -0.22 0.45 -2.23 0.00 0.00 178.31 176.20 1odb h HIS 15 N -0.07 0.22 0.00 0.41 3.86 -1.01 0.34 115.15 118.89 1odb h HIS 15 Ca 0.19 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1odb h HIS 15 Cb 0.37 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1odb h HIS 15 CO -0.39 0.41 -0.05 -0.56 0.86 0.00 0.00 177.93 178.20 1odb h GLN 16 N 0.19 0.00 0.01 2.45 3.07 -1.03 -2.78 115.11 117.01 1odb h GLN 16 Ca 0.03 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.39 1odb h GLN 16 Cb 0.49 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.99 1odb h GLN 16 CO 0.03 0.05 -2.38 0.66 0.09 0.00 0.00 178.83 177.28 1odb n TYR 17 N -3.23 0.17 0.19 0.06 4.01 -0.85 -4.52 117.16 113.00 1odb n TYR 17 Ca -0.01 0.04 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 1odb n TYR 17 Cb 0.24 -1.02 0.39 0.00 -0.31 0.00 0.00 39.34 38.64 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 0.01 0.00 0.59 7.72 4.64 -0.87 -3.03 113.55 122.61 1odb h SER 18 Ca -0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1odb h SER 18 Cb 1.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 1odb h SER 18 CO -0.04 0.35 0.00 1.33 -0.87 0.00 0.00 176.83 177.60 1odb n VAL 19 N -3.99 0.79 -0.03 0.95 0.24 -1.06 -4.17 118.33 111.05 1odb n VAL 19 Ca -0.02 0.20 -0.13 0.00 -2.04 0.00 0.00 64.34 62.35 1odb n VAL 19 Cb 0.40 -0.90 -0.09 0.00 -1.47 0.00 0.00 33.84 31.79 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 0.12 -4.49 7.34 3.08 -1.79 -3.46 114.38 115.18 1odb h ARG 20 Ca 0.00 -0.06 -0.22 0.00 0.07 0.00 0.00 59.98 59.77 1odb h ARG 20 Cb 0.29 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.17 1odb h ARG 20 CO 0.00 0.56 -0.71 0.15 -1.07 0.00 0.00 179.97 178.90 1odb s LYS 21 N -4.33 0.64 6.03 0.04 -0.14 -1.26 -5.10 119.74 115.62 1odb s LYS 21 Ca -0.15 -1.05 0.00 0.00 -1.36 0.00 0.00 55.97 53.41 1odb s LYS 21 Cb 0.03 -0.14 0.00 0.00 -1.68 0.00 0.00 37.83 36.04 1odb s LYS 21 CO 0.70 -0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.69 1odb n GLY 22 N 0.66 2.90 3.72 -3.33 0.00 -1.26 -4.53 105.19 103.36 1odb n GLY 22 Ca -0.17 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 3.12 0.27 1.61 5.65 -1.26 -4.89 115.29 119.78 1odb s HIS 23 Ca 0.00 0.86 0.37 0.00 0.25 0.00 0.00 55.06 56.54 1odb s HIS 23 Cb 0.00 -3.80 1.71 0.00 -1.18 0.00 0.00 32.58 29.31 1odb s HIS 23 CO 0.00 -2.82 2.10 0.27 -0.65 0.00 0.00 174.74 173.64 1odb h PHE 24 N 6.27 0.00 -0.15 3.88 -0.00 -1.80 -3.10 116.94 122.04 1odb h PHE 24 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.54 1odb h PHE 24 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.16 1odb h PHE 24 CO 0.64 0.00 0.00 -3.47 -0.00 0.00 0.00 178.31 175.48 1odb n ASP 25 N -3.04 2.47 -4.22 -0.68 2.03 -1.26 -2.61 116.55 109.24 1odb n ASP 25 Ca -0.01 -2.10 -0.13 0.00 0.52 0.00 0.00 54.79 53.07 1odb n ASP 25 Cb 0.22 -0.14 -0.10 0.00 -0.72 0.00 0.00 41.12 40.38 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 -1.18 1.01 -0.31 5.18 -4.23 -1.17 -4.20 115.64 110.73 1odb s THR 26 Ca 0.13 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 58.56 1odb s THR 26 Cb 0.08 -1.75 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 1odb s THR 26 CO 0.07 -0.77 0.16 -0.76 -0.54 0.00 0.00 174.62 172.78 1odb s LEU 27 N -3.06 4.12 1.24 4.79 1.43 -0.23 -4.57 118.68 122.39 1odb s LEU 27 Ca 0.14 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 1odb s LEU 27 Cb 0.03 -2.02 0.31 0.00 0.03 0.00 0.00 46.19 44.54 1odb s LEU 27 CO -0.01 -0.18 1.00 -0.94 0.23 0.00 0.00 176.35 176.45 1odb s SER 28 N 1.64 0.40 0.23 2.29 1.04 -1.26 -0.83 113.70 117.20 1odb s SER 28 Ca 0.05 1.28 -0.06 0.00 0.48 0.00 0.00 55.95 57.70 1odb s SER 28 Cb -0.17 -1.95 0.23 0.00 0.10 0.00 0.00 66.02 64.23 1odb s SER 28 CO 0.07 -4.52 1.80 0.50 0.98 0.00 0.00 173.24 172.07 1odb h LYS 29 N -2.84 1.13 -0.77 4.02 1.63 -1.99 -0.57 116.57 117.17 1odb h LYS 29 Ca -0.57 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.01 1odb h LYS 29 Cb 1.34 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.75 1odb h LYS 29 CO 0.45 0.91 0.38 0.78 -3.45 0.00 0.00 179.45 178.53 1odb h GLY 30 N 1.14 1.18 1.10 5.01 0.00 -1.98 0.41 103.07 109.93 1odb h GLY 30 Ca 0.26 -0.57 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 1odb h GLY 30 CO -0.02 0.55 -0.43 0.83 0.00 0.00 0.00 176.54 177.46 1odb h GLU 31 N 1.08 0.87 -0.60 4.80 5.08 -1.79 -2.26 114.58 121.76 1odb h GLU 31 Ca 0.27 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1odb h GLU 31 Cb 0.10 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1odb h GLU 31 CO -0.04 1.14 0.32 1.25 -1.00 0.00 0.00 179.01 180.69 1odb h LEU 32 N 0.66 0.75 -1.14 1.33 5.85 -0.96 -1.13 115.31 120.68 1odb h LEU 32 Ca 0.04 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1odb h LEU 32 Cb 1.03 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1odb h LEU 32 CO 0.10 0.64 0.58 0.50 -0.34 0.00 0.00 178.44 179.92 1odb h LYS 33 N 0.81 1.14 -0.15 1.25 3.64 -0.73 -0.11 116.57 122.41 1odb h LYS 33 Ca 0.21 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 1odb h LYS 33 Cb 0.06 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1odb h LYS 33 CO -0.03 0.75 -0.35 1.96 -2.27 0.00 0.00 179.45 179.51 1odb h GLN 34 N 1.17 0.51 0.09 1.90 4.20 -1.01 -1.61 115.11 120.37 1odb h GLN 34 Ca 0.33 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1odb h GLN 34 Cb -0.10 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 1odb h GLN 34 CO -0.08 0.95 -0.33 1.25 -0.67 0.00 0.00 178.83 179.95 1odb h LEU 35 N 0.13 -0.97 -0.41 1.46 6.46 -0.85 -1.84 115.31 119.29 1odb h LEU 35 Ca -0.00 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1odb h LEU 35 Cb 0.95 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 41.24 1odb h LEU 35 CO 0.08 -0.41 0.27 -0.07 -0.62 0.00 0.00 178.44 177.68 1odb h LEU 36 N -0.54 0.48 -0.55 2.25 3.38 -1.02 0.16 115.31 119.46 1odb h LEU 36 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1odb h LEU 36 Cb 0.59 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1odb h LEU 36 CO -0.21 0.36 0.31 0.74 0.09 0.00 0.00 178.44 179.72 1odb h THR 37 N 0.55 1.18 0.05 0.22 2.02 -1.21 -1.88 112.91 113.83 1odb h THR 37 Ca 0.15 -0.44 -0.24 0.00 0.77 0.00 0.00 66.41 66.65 1odb h THR 37 Cb -0.05 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1odb h THR 37 CO -0.03 0.19 -1.28 0.11 0.37 0.00 0.00 175.52 174.88 1odb h LYS 38 N 0.74 0.10 0.00 6.66 6.56 -1.21 -3.35 116.57 126.06 1odb h LYS 38 Ca 0.19 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1odb h LYS 38 Cb 0.03 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1odb h LYS 38 CO -0.03 1.08 -1.04 0.39 -2.06 0.00 0.00 179.45 177.79 1odb n GLU 39 N -4.18 0.03 -1.40 3.15 -0.58 0.53 -4.18 120.64 114.00 1odb n GLU 39 Ca -0.28 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 1odb n GLU 39 Cb 0.77 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 30.24 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 -1.53 2.27 0.14 -4.62 4.32 -0.71 -4.89 117.00 111.98 1odb n LEU 40 Ca 0.04 -3.24 0.01 0.00 -0.02 0.00 0.00 56.01 52.80 1odb n LEU 40 Cb 0.34 -0.19 0.35 0.00 -1.62 0.00 0.00 43.42 42.30 1odb n LEU 40 CO 0.43 1.14 0.78 0.00 -1.22 0.00 0.00 177.39 178.52 1odb h ALA 41 N 1.37 1.39 -0.35 -1.18 0.00 -1.68 -2.74 119.26 116.07 1odb h ALA 41 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1odb h ALA 41 Cb 1.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1odb h ALA 41 CO 0.16 0.43 0.00 0.09 0.00 0.00 0.00 179.25 179.94 1odb n ASN 42 N -4.17 3.17 -0.08 0.00 3.02 -1.26 -4.56 115.26 111.38 1odb n ASN 42 Ca -0.01 -1.91 -0.11 0.00 -0.03 0.00 0.00 54.58 52.51 1odb n ASN 42 Cb 0.36 -0.23 -0.08 0.00 -0.61 0.00 0.00 39.78 39.22 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 1.19 0.97 -4.00 3.41 -1.04 -1.04 -4.95 114.28 108.81 1odb n THR 43 Ca 0.16 -0.40 -0.35 0.00 -2.04 0.00 0.00 64.05 61.42 1odb n THR 43 Cb 0.52 -1.04 -0.13 0.00 -1.82 0.00 0.00 70.33 67.87 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 -2.34 4.02 0.44 12.58 1.01 -1.17 -5.01 121.20 130.73 1odb s ILE 44 Ca -0.21 -0.29 -0.26 0.00 0.00 0.00 0.00 60.65 59.90 1odb s ILE 44 Cb 0.06 -2.83 -0.09 0.00 0.01 0.00 0.00 42.46 39.61 1odb s ILE 44 CO 0.41 0.41 1.45 2.29 0.00 0.00 0.00 174.94 179.50 1odb n LYS 45 N 4.37 2.33 -2.64 2.79 -0.00 -1.26 -3.14 118.16 120.61 1odb n LYS 45 Ca -0.17 0.83 -0.22 0.00 -0.00 0.00 0.00 58.31 58.75 1odb n LYS 45 Cb 0.52 -2.65 0.01 0.00 -0.00 0.00 0.00 35.03 32.91 1odb n LYS 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1odb n ASN 46 N -0.11 -6.03 -0.10 -5.58 5.03 -1.26 -4.87 115.26 102.35 1odb n ASN 46 Ca 0.05 -0.12 0.16 0.00 0.87 0.00 0.00 54.58 55.54 1odb n ASN 46 Cb 0.41 -4.96 0.56 0.00 -1.02 0.00 0.00 39.78 34.78 1odb n ASN 46 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1odb h ILE 47 N -0.54 0.79 0.48 2.41 6.09 -1.88 -2.38 117.51 122.48 1odb h ILE 47 Ca -0.51 -0.10 -0.02 0.00 -1.37 0.00 0.00 64.86 62.86 1odb h ILE 47 Cb 1.37 0.49 0.00 0.00 0.47 0.00 0.00 36.82 39.15 1odb h ILE 47 CO 0.58 0.05 -0.23 0.11 -3.07 0.00 0.00 178.15 175.59 1odb h LYS 48 N 0.28 -0.62 -4.58 2.19 6.56 -1.90 -3.46 116.57 115.04 1odb h LYS 48 Ca 0.31 0.04 -0.56 0.00 -1.06 0.00 0.00 60.65 59.39 1odb h LYS 48 Cb 0.85 0.14 0.06 0.00 -0.57 0.00 0.00 32.23 32.71 1odb h LYS 48 CO -0.07 -0.32 -0.18 -0.25 -2.06 0.00 0.00 179.45 176.57 1odb n ASP 49 N -5.26 -0.49 0.02 0.86 8.00 -0.90 -4.90 116.55 113.88 1odb n ASP 49 Ca -0.11 0.87 -0.13 0.00 0.71 0.00 0.00 54.79 56.14 1odb n ASP 49 Cb 0.31 -0.71 -0.09 0.00 -0.02 0.00 0.00 41.12 40.60 1odb n ASP 49 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1odb h LYS 50 N 1.52 -0.08 -0.90 -1.24 2.10 -1.89 -3.28 116.57 112.80 1odb h LYS 50 Ca -0.30 0.01 0.25 0.00 -2.00 0.00 0.00 60.65 58.60 1odb h LYS 50 Cb 1.10 0.02 -0.14 0.00 -0.90 0.00 0.00 32.23 32.30 1odb h LYS 50 CO 0.47 0.35 0.28 0.00 -2.00 0.00 0.00 179.45 178.55 1odb h ALA 51 N 0.33 1.36 -0.09 0.07 0.00 -1.95 0.56 119.26 119.54 1odb h ALA 51 Ca -0.01 0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1odb h ALA 51 Cb 0.48 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1odb h ALA 51 CO 0.01 -0.48 0.07 0.28 0.00 0.00 0.00 179.25 179.13 1odb h VAL 52 N 0.22 0.90 0.14 0.00 2.07 -1.87 -2.50 116.25 115.21 1odb h VAL 52 Ca 0.58 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.78 1odb h VAL 52 Cb 1.18 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1odb h VAL 52 CO -0.65 0.00 -1.61 0.40 0.02 0.00 0.00 177.57 175.73 1odb h ILE 53 N 0.00 0.93 -0.50 4.57 2.04 -1.01 -2.49 117.51 121.05 1odb h ILE 53 Ca 0.04 -2.42 0.12 0.00 1.00 0.00 0.00 64.86 63.60 1odb h ILE 53 Cb 0.18 2.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1odb h ILE 53 CO -0.00 0.77 0.35 0.44 0.00 0.00 0.00 178.15 179.71 1odb h ASP 54 N -0.14 0.15 0.32 1.72 3.32 -1.42 -0.55 116.42 119.82 1odb h ASP 54 Ca -0.34 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.39 1odb h ASP 54 Cb 1.89 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 41.40 1odb h ASP 54 CO 0.09 0.09 -1.77 -0.33 -1.72 0.00 0.00 179.24 175.60 1odb h GLU 55 N 0.16 0.20 -0.21 3.56 3.07 -1.50 -2.29 114.58 117.58 1odb h GLU 55 Ca 0.24 -0.35 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1odb h GLU 55 Cb 0.72 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1odb h GLU 55 CO -0.04 1.01 0.12 0.82 -1.40 0.00 0.00 179.01 179.53 1odb h ILE 56 N 0.06 1.10 -0.48 3.13 2.04 -1.37 -2.32 117.51 119.67 1odb h ILE 56 Ca -0.33 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1odb h ILE 56 Cb 2.03 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 1odb h ILE 56 CO 0.12 0.09 0.28 0.15 0.00 0.00 0.00 178.15 178.79 1odb h PHE 57 N 0.25 0.64 -0.75 1.37 3.04 -1.12 -0.31 116.94 120.06 1odb h PHE 57 Ca 0.08 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1odb h PHE 57 Cb 0.04 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 38.31 1odb h PHE 57 CO -0.04 0.46 0.38 1.96 -2.02 0.00 0.00 178.31 179.04 1odb h GLN 58 N 0.64 1.06 -0.32 1.11 1.08 -1.43 -1.47 115.11 115.78 1odb h GLN 58 Ca 0.17 -0.14 -0.12 0.00 -1.45 0.00 0.00 58.65 57.12 1odb h GLN 58 Cb 0.01 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 1odb h GLN 58 CO -0.03 0.80 -0.28 0.78 -0.95 0.00 0.00 178.83 179.15 1odb h GLY 59 N 1.10 0.71 2.00 3.46 0.00 -0.73 -3.18 103.07 106.44 1odb h GLY 59 Ca 0.26 -0.63 -0.19 0.00 0.00 0.00 0.00 47.33 46.77 1odb h GLY 59 CO -0.04 0.57 -0.92 1.41 0.00 0.00 0.00 176.54 177.57 1odb h LEU 60 N 0.56 0.00 -7.40 3.11 3.38 -0.87 -3.39 115.31 110.71 1odb h LEU 60 Ca 0.07 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.34 1odb h LEU 60 Cb 0.77 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 1odb h LEU 60 CO 0.06 0.92 2.27 -0.67 0.09 0.00 0.00 178.44 181.11 1odb n ASP 61 N -3.39 4.77 0.18 -0.43 2.03 -0.57 -4.75 116.55 114.38 1odb n ASP 61 Ca 0.00 -2.92 0.03 0.00 0.52 0.00 0.00 54.79 52.42 1odb n ASP 61 Cb 0.89 -1.70 0.33 0.00 -0.72 0.00 0.00 41.12 39.92 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 7.11 1.19 -0.70 -1.67 0.00 -1.81 -2.76 119.26 120.63 1odb h ALA 62 Ca 0.45 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1odb h ALA 62 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1odb h ALA 62 CO 1.52 0.52 0.00 0.27 0.00 0.00 0.00 179.25 181.57 1odb n ASN 63 N -3.88 3.82 -4.35 0.00 6.94 -1.26 -4.98 115.26 111.56 1odb n ASN 63 Ca -0.01 -2.04 -0.38 0.00 -0.02 0.00 0.00 54.58 52.13 1odb n ASN 63 Cb 0.47 -0.48 -0.05 0.00 -2.36 0.00 0.00 39.78 37.36 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 1.51 -2.04 -0.41 -3.83 0.00 -1.04 -4.86 117.38 106.71 1odb n GLN 64 Ca 0.24 0.26 0.08 0.00 0.00 0.00 0.00 57.00 57.57 1odb n GLN 64 Cb 0.62 -4.81 0.26 0.00 0.00 0.00 0.00 30.24 26.31 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 -2.61 3.44 -1.36 2.61 5.75 -1.26 -4.96 116.55 118.17 1odb n ASP 65 Ca 0.04 -2.23 -0.16 0.00 -0.01 0.00 0.00 54.79 52.43 1odb n ASP 65 Cb 0.50 -0.46 -0.06 0.00 -1.03 0.00 0.00 41.12 40.07 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 0.89 -1.17 -4.06 0.11 -0.58 -1.26 -5.00 120.64 109.58 1odb n GLU 66 Ca 0.19 1.03 -0.13 0.00 -0.42 0.00 0.00 57.16 57.83 1odb n GLU 66 Cb 0.62 -5.26 -0.11 0.00 -0.57 0.00 0.00 31.44 26.12 1odb n GLU 66 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1odb s GLN 67 N -3.62 0.50 -0.40 3.49 -1.52 -1.26 -4.47 119.66 112.38 1odb s GLN 67 Ca 0.00 -0.72 -0.09 0.00 -1.95 0.00 0.00 55.36 52.60 1odb s GLN 67 Cb 0.00 -0.26 0.06 0.00 -0.22 0.00 0.00 33.01 32.60 1odb s GLN 67 CO 0.00 0.04 0.22 0.08 -0.25 0.00 0.00 175.29 175.38 1odb s VAL 68 N -1.33 4.19 1.00 1.09 1.01 -0.01 -4.73 120.40 121.62 1odb s VAL 68 Ca -0.10 -1.27 -0.17 0.00 0.00 0.00 0.00 61.98 60.44 1odb s VAL 68 Cb -0.10 -3.50 0.22 0.00 0.00 0.00 0.00 36.38 33.00 1odb s VAL 68 CO 0.00 -0.41 1.29 1.51 0.00 0.00 0.00 175.10 177.49 1odb s ASP 69 N 1.89 2.73 0.21 3.32 1.47 -1.26 -1.07 116.67 123.96 1odb s ASP 69 Ca 0.02 0.33 -0.10 0.00 1.18 0.00 0.00 52.55 53.98 1odb s ASP 69 Cb -0.22 -0.41 0.16 0.00 -0.34 0.00 0.00 42.92 42.11 1odb s ASP 69 CO 0.03 -2.98 1.87 0.15 0.68 0.00 0.00 175.17 174.92 1odb h PHE 70 N -1.81 0.98 -0.52 2.11 3.57 -2.00 -0.05 116.94 119.23 1odb h PHE 70 Ca -0.44 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1odb h PHE 70 Cb 1.24 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 1odb h PHE 70 CO -1.33 0.64 0.34 1.96 -2.23 0.00 0.00 178.31 177.69 1odb h GLN 71 N 1.04 0.69 -0.56 1.11 7.50 -1.96 -1.93 115.11 121.00 1odb h GLN 71 Ca 0.28 -0.05 -0.10 0.00 0.50 0.00 0.00 58.65 59.28 1odb h GLN 71 Cb -0.08 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 27.28 1odb h GLN 71 CO -0.06 0.47 -0.04 0.93 -1.50 0.00 0.00 178.83 178.64 1odb h GLU 72 N 0.71 1.00 -0.21 1.46 5.08 -1.79 -2.89 114.58 117.93 1odb h GLU 72 Ca 0.19 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1odb h GLU 72 Cb -0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1odb h GLU 72 CO -0.04 1.00 0.15 0.35 -1.00 0.00 0.00 179.01 179.47 1odb h PHE 73 N 0.91 0.12 -0.48 4.33 3.57 -0.62 -2.13 116.94 122.64 1odb h PHE 73 Ca 0.16 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1odb h PHE 73 Cb 0.58 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1odb h PHE 73 CO 0.04 0.07 0.32 0.82 -2.23 0.00 0.00 178.31 177.32 1odb h ILE 74 N 0.12 1.09 -0.70 1.41 2.04 -1.14 -0.65 117.51 119.68 1odb h ILE 74 Ca 0.09 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.83 1odb h ILE 74 Cb 0.23 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1odb h ILE 74 CO -0.01 0.11 0.46 0.28 0.00 0.00 0.00 178.15 178.99 1odb h SER 75 N 0.59 0.59 -0.37 1.72 0.02 -1.49 0.09 113.55 114.70 1odb h SER 75 Ca 0.18 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.98 1odb h SER 75 Cb 0.01 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1odb h SER 75 CO -0.04 0.37 -0.39 0.25 -1.14 0.00 0.00 176.83 175.88 1odb h LEU 76 N 0.67 1.00 -0.76 5.07 5.85 -1.24 -2.01 115.31 123.88 1odb h LEU 76 Ca 0.31 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1odb h LEU 76 Cb 0.34 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1odb h LEU 76 CO -0.10 1.26 0.40 0.58 -0.34 0.00 0.00 178.44 180.23 1odb h VAL 77 N 0.76 1.24 -0.62 1.05 2.07 -0.96 -1.00 116.25 118.79 1odb h VAL 77 Ca 0.06 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 67.00 1odb h VAL 77 Cb 0.99 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1odb h VAL 77 CO 0.10 0.27 0.35 0.00 0.02 0.00 0.00 177.57 178.31 1odb h ALA 78 N 1.20 0.81 -0.42 1.67 0.00 -0.82 0.23 119.26 121.94 1odb h ALA 78 Ca 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1odb h ALA 78 Cb 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1odb h ALA 78 CO -0.04 0.05 0.08 0.82 0.00 0.00 0.00 179.25 180.16 1odb h ILE 79 N 0.67 1.24 -0.09 0.00 2.04 -0.98 -2.01 117.51 118.38 1odb h ILE 79 Ca 0.26 -0.86 -0.10 0.00 1.00 0.00 0.00 64.86 65.17 1odb h ILE 79 Cb 0.11 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1odb h ILE 79 CO -0.15 0.30 -0.41 0.00 0.00 0.00 0.00 178.15 177.90 1odb h ALA 80 N 0.94 1.16 -0.24 1.87 0.00 -0.87 -2.75 119.26 119.37 1odb h ALA 80 Ca 0.13 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1odb h ALA 80 Cb 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1odb h ALA 80 CO 0.01 0.57 -0.29 -0.07 0.00 0.00 0.00 179.25 179.46 1odb h LEU 81 N 0.16 0.68 -1.38 0.00 3.38 -0.34 -0.92 115.31 116.89 1odb h LEU 81 Ca 0.01 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.52 1odb h LEU 81 Cb 0.79 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1odb h LEU 81 CO 0.06 1.04 0.44 0.50 0.09 0.00 0.00 178.44 180.56 1odb h LYS 82 N 0.33 0.80 0.07 1.13 3.64 -1.27 0.18 116.57 121.46 1odb h LYS 82 Ca 0.03 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.10 1odb h LYS 82 Cb 0.87 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1odb h LYS 82 CO 0.07 0.53 -1.11 0.00 -2.27 0.00 0.00 179.45 176.66 1odb h ALA 83 N 1.61 0.18 -0.59 5.00 0.00 -1.25 -0.33 119.26 123.88 1odb h ALA 83 Ca 0.26 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1odb h ALA 83 Cb 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1odb h ALA 83 CO -0.07 0.82 0.27 0.00 0.00 0.00 0.00 179.25 180.27 1odb h ALA 84 N 0.56 0.76 0.23 0.00 0.00 -0.89 0.16 119.26 120.09 1odb h ALA 84 Ca -0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1odb h ALA 84 Cb 1.79 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1odb h ALA 84 CO 0.20 0.33 -0.15 1.25 0.00 0.00 0.00 179.25 180.88 1odb h HIS 85 N 0.80 -0.40 -0.63 0.00 6.17 -0.87 -2.23 115.15 117.99 1odb h HIS 85 Ca 0.20 -0.00 0.12 0.00 0.71 0.00 0.00 60.37 61.40 1odb h HIS 85 Cb 0.14 0.14 -0.09 0.00 2.52 0.00 0.00 27.41 30.12 1odb h HIS 85 CO 0.00 -0.24 0.13 -0.92 0.71 0.00 0.00 177.93 177.61 1odb h TYR 86 N -0.38 0.19 -0.54 5.26 3.20 -0.86 -2.48 116.97 121.36 1odb h TYR 86 Ca -0.02 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1odb h TYR 86 Cb 0.32 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1odb h TYR 86 CO -0.10 -0.05 0.26 1.25 -1.64 0.00 0.00 178.16 177.88 1odb h HIS 87 N 0.25 0.75 -0.09 -3.82 2.76 -0.32 -2.23 115.15 112.44 1odb h HIS 87 Ca 0.33 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.42 1odb h HIS 87 Cb 0.51 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1odb h HIS 87 CO -0.26 0.55 -0.21 1.79 -1.30 0.00 0.00 177.93 178.50 1odb h THR 88 N 0.76 1.20 -0.01 6.26 1.35 -0.93 -2.83 112.91 118.71 1odb h THR 88 Ca 0.19 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1odb h THR 88 Cb 0.08 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1odb h THR 88 CO -0.03 0.28 -0.19 1.41 -0.25 0.00 0.00 175.52 176.74 1odb n HIS 89 N -4.22 0.00 -0.92 4.73 -0.00 -0.87 -5.14 115.22 108.79 1odb n HIS 89 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1odb n HIS 89 Cb 0.31 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 1odb n HIS 89 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97