#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbh n SER 2 N 0.00 0.00 -4.62 1.61 3.41 -1.26 -5.14 113.62 107.62 2dbh n SER 2 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2dbh n SER 2 Cb 0.00 0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.12 2dbh n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dbh s SER 3 N -0.35 4.62 -0.08 4.04 0.01 -1.26 -5.13 113.70 115.56 2dbh s SER 3 Ca 0.00 -0.33 -0.07 0.00 1.31 0.00 0.00 55.95 56.86 2dbh s SER 3 Cb 0.00 -0.96 0.02 0.00 0.21 0.00 0.00 66.02 65.29 2dbh s SER 3 CO 0.00 0.16 0.21 -0.83 0.41 0.00 0.00 173.24 173.19 2dbh s GLY 4 N -2.36 -0.15 0.00 3.44 0.00 -1.26 -5.00 107.32 101.99 2dbh s GLY 4 Ca 0.24 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.60 2dbh s GLY 4 CO 0.16 0.63 0.00 -1.26 0.00 0.00 0.00 173.10 172.63 2dbh n SER 5 N 3.21 0.00 -1.43 1.64 2.88 -1.26 -4.90 113.62 113.77 2dbh n SER 5 Ca -0.15 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.55 2dbh n SER 5 Cb 0.57 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.94 2dbh n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dbh n SER 6 N 1.58 -7.73 -4.81 -3.46 7.64 -1.26 -4.94 113.62 100.63 2dbh n SER 6 Ca 0.00 1.47 -0.26 0.00 1.01 0.00 0.00 58.87 61.09 2dbh n SER 6 Cb 0.00 -4.90 -0.05 0.00 -1.01 0.00 0.00 64.21 58.25 2dbh n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dbh s GLY 7 N -7.12 1.67 0.01 0.23 0.00 -1.26 -5.04 107.32 95.81 2dbh s GLY 7 Ca 0.00 -1.24 -0.23 0.00 0.00 0.00 0.00 44.72 43.25 2dbh s GLY 7 CO 0.00 -1.25 1.34 0.23 0.00 0.00 0.00 173.10 173.42 2dbh h SER 8 N 2.25 0.17 -3.61 1.64 0.87 -2.05 -3.42 113.55 109.40 2dbh h SER 8 Ca -0.48 -0.44 -0.63 0.00 -1.23 0.00 0.00 61.79 59.00 2dbh h SER 8 Cb 1.21 -0.05 -0.19 0.00 -0.44 0.00 0.00 62.40 62.93 2dbh h SER 8 CO 0.63 0.58 -0.57 -0.55 -0.53 0.00 0.00 176.83 176.39 2dbh s SER 9 N -5.84 5.60 0.24 6.23 0.15 -1.26 -4.91 113.70 113.91 2dbh s SER 9 Ca -0.15 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2dbh s SER 9 Cb 0.04 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 2dbh s SER 9 CO 0.71 0.03 0.00 0.00 1.20 0.00 0.00 173.24 175.17 2dbh n ALA 10 N 4.53 3.00 -3.83 5.45 0.00 -1.26 -5.05 120.51 123.35 2dbh n ALA 10 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 2dbh n ALA 10 Cb 0.52 0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 2dbh n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dbh s LEU 11 N -6.90 2.93 0.06 0.00 1.02 -1.26 -4.72 118.68 109.81 2dbh s LEU 11 Ca 0.00 -1.72 0.00 0.00 0.02 0.00 0.00 54.13 52.43 2dbh s LEU 11 Cb 0.00 -1.09 0.00 0.00 0.02 0.00 0.00 46.19 45.12 2dbh s LEU 11 CO 0.00 -0.39 0.00 -1.20 0.02 0.00 0.00 176.35 174.78 2dbh n SER 12 N 4.68 0.03 -4.89 2.29 7.64 -1.26 -5.12 113.62 116.99 2dbh n SER 12 Ca -0.01 0.10 -0.20 0.00 1.01 0.00 0.00 58.87 59.77 2dbh n SER 12 Cb 0.42 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 2dbh n SER 12 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2dbh s ARG 13 N -2.00 2.69 -0.75 1.43 6.06 -1.26 -5.00 118.95 120.13 2dbh s ARG 13 Ca 0.00 -1.36 -0.25 0.00 -2.50 0.00 0.00 55.73 51.61 2dbh s ARG 13 Cb 0.00 -2.50 -0.14 0.00 0.06 0.00 0.00 34.95 32.37 2dbh s ARG 13 CO 0.00 -0.07 2.41 0.09 -2.50 0.00 0.00 175.30 175.23 2dbh n ASN 14 N -1.53 1.74 0.00 -2.12 4.13 -1.26 -4.55 115.26 111.66 2dbh n ASN 14 Ca 0.02 -1.25 0.00 0.00 1.68 0.00 0.00 54.58 55.03 2dbh n ASN 14 Cb 0.60 -1.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.25 2dbh n ASN 14 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dbh n GLY 15 N 6.60 2.37 6.81 7.41 0.00 -1.26 -5.01 105.19 122.11 2dbh n GLY 15 Ca 0.46 0.19 0.01 0.00 0.00 0.00 0.00 46.02 46.68 2dbh n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dbh n SER 16 N 0.00 -6.08 0.13 1.61 7.64 -1.26 -3.66 113.62 112.00 2dbh n SER 16 Ca 0.00 0.05 0.02 0.00 1.01 0.00 0.00 58.87 59.95 2dbh n SER 16 Cb 0.00 -0.15 0.38 0.00 -1.01 0.00 0.00 64.21 63.43 2dbh n SER 16 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2dbh h PHE 17 N -0.05 0.20 -3.47 1.43 0.04 -1.94 -3.43 116.94 109.73 2dbh h PHE 17 Ca 0.00 -0.03 -0.24 0.00 2.80 0.00 0.00 57.97 60.51 2dbh h PHE 17 Cb 0.05 -0.05 -0.30 0.00 2.20 0.00 0.00 35.95 37.84 2dbh h PHE 17 CO 0.00 0.38 -0.64 0.42 -0.60 0.00 0.00 178.31 177.87 2dbh s ILE 18 N -4.59 -0.03 0.41 -0.55 1.01 -1.24 -4.92 121.20 111.30 2dbh s ILE 18 Ca -0.05 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.73 2dbh s ILE 18 Cb 0.15 -0.14 -0.00 0.00 0.01 0.00 0.00 42.46 42.48 2dbh s ILE 18 CO 0.73 0.04 0.59 0.42 0.00 0.00 0.00 174.94 176.72 2dbh s THR 19 N 0.56 3.83 0.20 2.92 -4.23 -1.24 -4.78 115.64 112.90 2dbh s THR 19 Ca -0.04 -0.77 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 2dbh s THR 19 Cb -0.06 -3.37 -0.05 0.00 1.34 0.00 0.00 72.50 70.36 2dbh s THR 19 CO -0.02 -0.20 1.52 0.11 -0.54 0.00 0.00 174.62 175.49 2dbh h LYS 20 N 0.60 0.47 -0.26 3.99 1.57 -1.97 -2.99 116.57 117.97 2dbh h LYS 20 Ca -0.45 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.04 2dbh h LYS 20 Cb 1.26 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 2dbh h LYS 20 CO 0.54 0.91 0.18 1.49 -0.57 0.00 0.00 179.45 181.99 2dbh h GLU 21 N 0.36 0.30 -0.15 3.15 4.57 -2.00 -2.25 114.58 118.55 2dbh h GLU 21 Ca 0.00 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 2dbh h GLU 21 Cb 1.10 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2dbh h GLU 21 CO 0.10 0.20 -0.37 0.87 -1.18 0.00 0.00 179.01 178.63 2dbh h LYS 22 N 0.31 0.52 -0.18 1.92 1.57 -1.94 -3.01 116.57 115.77 2dbh h LYS 22 Ca 0.10 -0.36 0.03 0.00 -1.87 0.00 0.00 60.65 58.56 2dbh h LYS 22 Cb 0.03 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2dbh h LYS 22 CO -0.02 0.97 0.13 0.87 -0.57 0.00 0.00 179.45 180.83 2dbh h LYS 23 N 0.15 0.10 -0.26 3.15 1.57 -1.36 -1.80 116.57 118.12 2dbh h LYS 23 Ca -0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 2dbh h LYS 23 Cb 0.98 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 2dbh h LYS 23 CO 0.08 0.06 -0.32 0.22 -0.57 0.00 0.00 179.45 178.92 2dbh h ASP 24 N 0.10 0.74 -0.69 0.86 3.58 -1.39 -2.80 116.42 116.83 2dbh h ASP 24 Ca 0.08 -0.50 -0.03 0.00 0.42 0.00 0.00 57.03 57.00 2dbh h ASP 24 Cb 0.20 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 2dbh h ASP 24 CO -0.01 1.09 0.30 0.74 -2.88 0.00 0.00 179.24 178.48 2dbh h THR 25 N 0.41 1.24 0.02 2.25 2.02 -1.22 0.14 112.91 117.77 2dbh h THR 25 Ca 0.03 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.51 2dbh h THR 25 Cb 0.90 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2dbh h THR 25 CO 0.08 0.29 -0.05 0.58 0.37 0.00 0.00 175.52 176.78 2dbh h VAL 26 N 0.96 0.88 0.00 3.16 2.07 -1.38 -2.35 116.25 119.59 2dbh h VAL 26 Ca 0.23 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.68 2dbh h VAL 26 Cb 0.16 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2dbh h VAL 26 CO -0.02 0.00 -0.32 -0.07 0.02 0.00 0.00 177.57 177.18 2dbh h LEU 27 N -0.10 0.00 -1.45 2.57 3.38 -1.36 -3.03 115.31 115.32 2dbh h LEU 27 Ca 0.01 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 2dbh h LEU 27 Cb 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2dbh h LEU 27 CO -0.03 0.32 0.48 -0.09 0.09 0.00 0.00 178.44 179.21 2dbh h ARG 28 N 0.00 0.60 -0.03 1.13 2.43 -0.16 0.86 114.38 119.21 2dbh h ARG 28 Ca -0.00 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 2dbh h ARG 28 Cb 0.80 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2dbh h ARG 28 CO 0.04 0.40 -0.80 1.96 -1.51 0.00 0.00 179.97 180.06 2dbh h GLN 29 N 0.62 0.28 0.01 0.20 4.20 -1.44 -2.99 115.11 116.00 2dbh h GLN 29 Ca 0.34 -0.26 -0.23 0.00 0.06 0.00 0.00 58.65 58.55 2dbh h GLN 29 Cb 0.49 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2dbh h GLN 29 CO -0.12 0.94 -1.15 0.28 -0.67 0.00 0.00 178.83 178.11 2dbh h VAL 30 N 0.18 1.54 -0.30 -0.54 2.07 -1.22 -1.40 116.25 116.59 2dbh h VAL 30 Ca -0.04 -3.27 -0.09 0.00 0.82 0.00 0.00 66.70 64.13 2dbh h VAL 30 Cb 1.39 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 33.92 2dbh h VAL 30 CO 0.13 0.89 -0.19 0.03 0.02 0.00 0.00 177.57 178.45 2dbh h ARG 31 N 0.01 0.54 0.01 1.57 3.08 0.66 -3.29 114.38 116.95 2dbh h ARG 31 Ca -0.07 -0.18 -0.23 0.00 0.07 0.00 0.00 59.98 59.57 2dbh h ARG 31 Cb 1.83 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.81 2dbh h ARG 31 CO 0.13 0.70 -1.24 -0.07 -1.07 0.00 0.00 179.97 178.42 2dbh h LEU 32 N 0.48 0.02 -8.06 3.04 3.38 -1.60 -3.47 115.31 109.12 2dbh h LEU 32 Ca 0.08 -0.56 -0.62 0.00 0.09 0.00 0.00 57.88 56.87 2dbh h LEU 32 Cb 0.60 -0.01 -0.35 0.00 0.09 0.00 0.00 40.66 41.00 2dbh h LEU 32 CO 0.04 1.49 -0.85 -1.81 0.09 0.00 0.00 178.44 177.40 2dbh s ASP 33 N -6.84 2.75 0.53 -0.43 1.11 -0.53 -5.12 116.67 108.15 2dbh s ASP 33 Ca -0.28 -0.51 -0.20 0.00 0.18 0.00 0.00 52.55 51.74 2dbh s ASP 33 Cb 0.05 -1.25 -0.06 0.00 1.07 0.00 0.00 42.92 42.73 2dbh s ASP 33 CO 0.61 0.03 1.13 -2.16 1.18 0.00 0.00 175.17 175.95 2dbh s PRO 34 N 1.03 3.42 0.05 8.23 0.04 -1.25 -3.73 135.00 142.79 2dbh s PRO 34 Ca -0.04 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.33 2dbh s PRO 34 Cb -0.15 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.42 2dbh s PRO 34 CO -0.04 -0.79 0.63 0.00 0.04 0.00 0.00 177.00 176.85 2dbh s ASP 36 N -1.91 6.72 -0.21 0.00 1.11 -1.26 -4.92 116.67 116.20 2dbh s ASP 36 Ca -0.06 2.42 0.13 0.00 0.18 0.00 0.00 52.55 55.23 2dbh s ASP 36 Cb -0.00 -2.58 0.45 0.00 1.07 0.00 0.00 42.92 41.85 2dbh s ASP 36 CO -0.01 -0.75 1.19 0.18 1.18 0.00 0.00 175.17 176.96 2dbh n LEU 37 N 4.36 3.09 -0.08 1.23 4.77 -1.26 -4.80 117.00 124.30 2dbh n LEU 37 Ca 0.13 -3.81 -0.14 0.00 -0.03 0.00 0.00 56.01 52.16 2dbh n LEU 37 Cb 0.41 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2dbh n LEU 37 CO 0.60 1.47 -0.22 1.56 -1.33 0.00 0.00 177.39 179.47 2dbh h GLN 38 N 1.63 0.00 -0.31 3.23 1.08 -2.01 -3.36 115.11 115.38 2dbh h GLN 38 Ca 0.08 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.37 2dbh h GLN 38 Cb 1.36 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 2dbh h GLN 38 CO 0.31 0.67 0.44 -1.35 -0.95 0.00 0.00 178.83 177.95 2dbh h PRO 39 N -1.00 0.00 0.38 1.46 0.11 -1.98 0.20 132.00 131.17 2dbh h PRO 39 Ca -0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 2dbh h PRO 39 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2dbh h PRO 39 CO -0.10 0.00 -0.18 0.82 -0.21 0.00 0.00 178.00 178.33 2dbh h ILE 40 N 0.00 0.54 -0.15 4.15 1.08 -1.91 -2.94 117.51 118.28 2dbh h ILE 40 Ca 0.15 -0.57 -0.15 0.00 -0.39 0.00 0.00 64.86 63.89 2dbh h ILE 40 Cb 1.03 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 2dbh h ILE 40 CO -0.00 0.09 -0.55 -0.26 -0.69 0.00 0.00 178.15 176.74 2dbh h PHE 41 N -0.87 0.58 -0.31 1.37 0.04 -1.48 -2.29 116.94 113.97 2dbh h PHE 41 Ca -0.05 -0.21 0.09 0.00 2.80 0.00 0.00 57.97 60.60 2dbh h PHE 41 Cb 0.54 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2dbh h PHE 41 CO 0.02 0.91 0.27 0.22 -0.60 0.00 0.00 178.31 179.13 2dbh h ASP 42 N 0.36 0.00 0.25 2.17 3.58 -1.03 0.87 116.42 122.62 2dbh h ASP 42 Ca 0.01 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.13 2dbh h ASP 42 Cb 1.08 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.07 2dbh h ASP 42 CO 0.10 0.00 -2.03 -0.67 -2.88 0.00 0.00 179.24 173.75 2dbh n ASP 43 N -4.11 0.50 0.19 2.28 2.03 -1.11 -4.19 116.55 112.13 2dbh n ASP 43 Ca 0.05 0.22 0.11 0.00 0.52 0.00 0.00 54.79 55.68 2dbh n ASP 43 Cb 0.43 0.41 0.12 0.00 -0.72 0.00 0.00 41.12 41.36 2dbh n ASP 43 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2dbh h MET 44 N 0.00 0.00 -0.65 -0.67 2.86 -0.66 -3.30 114.93 112.52 2dbh h MET 44 Ca -0.41 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.42 2dbh h MET 44 Cb 2.12 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.76 2dbh h MET 44 CO 0.05 0.04 0.49 -0.07 1.06 0.00 0.00 176.91 178.49 2dbh h LEU 45 N 0.00 0.00 -0.49 1.22 3.38 0.55 0.23 115.31 120.20 2dbh h LEU 45 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2dbh h LEU 45 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2dbh h LEU 45 CO 0.01 0.00 -0.65 -0.74 0.09 0.00 0.00 178.44 177.14 2dbh h HIS 46 N 0.00 0.53 0.10 1.13 2.76 -1.82 -3.21 115.15 114.64 2dbh h HIS 46 Ca 0.31 -0.21 -0.27 0.00 -2.20 0.00 0.00 60.37 58.00 2dbh h HIS 46 Cb 1.29 -0.09 0.01 0.00 1.55 0.00 0.00 27.41 30.17 2dbh h HIS 46 CO 0.00 0.94 -1.16 0.74 -1.30 0.00 0.00 177.93 177.15 2dbh h PHE 47 N 0.29 0.62 -4.22 5.26 -1.00 -0.85 -3.46 116.94 113.59 2dbh h PHE 47 Ca -0.02 -0.41 -0.52 0.00 2.81 0.00 0.00 57.97 59.84 2dbh h PHE 47 Cb 1.20 -0.04 0.13 0.00 3.61 0.00 0.00 35.95 40.85 2dbh h PHE 47 CO 0.04 1.28 0.35 -0.51 -1.61 0.00 0.00 178.31 177.86 2dbh s LEU 48 N -7.46 3.24 0.30 1.54 1.43 -0.16 -5.05 118.68 112.52 2dbh s LEU 48 Ca -0.05 2.09 0.07 0.00 -1.03 0.00 0.00 54.13 55.21 2dbh s LEU 48 Cb 0.07 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.70 2dbh s LEU 48 CO 0.89 -2.07 0.25 0.20 0.23 0.00 0.00 176.35 175.85 2dbh s ASN 49 N -2.58 5.40 0.37 2.29 0.01 -1.26 -4.94 114.94 114.22 2dbh s ASN 49 Ca 0.68 -0.39 0.11 0.00 -0.71 0.00 0.00 52.86 52.56 2dbh s ASN 49 Cb -0.23 -1.16 0.90 0.00 0.41 0.00 0.00 41.25 41.17 2dbh s ASN 49 CO 0.47 -0.22 1.86 -0.65 -1.51 0.00 0.00 177.10 177.05 2dbh h PRO 50 N 1.35 0.59 -0.00 -0.60 0.11 -1.96 0.32 132.00 131.79 2dbh h PRO 50 Ca -0.46 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 65.38 2dbh h PRO 50 Cb 1.25 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 32.24 2dbh h PRO 50 CO 0.59 0.39 -0.89 1.49 -0.21 0.00 0.00 178.00 179.37 2dbh h GLU 51 N 0.60 0.61 -0.37 1.05 4.57 -2.01 -3.20 114.58 115.83 2dbh h GLU 51 Ca 0.46 -0.65 -0.05 0.00 -1.18 0.00 0.00 59.36 57.94 2dbh h GLU 51 Cb 0.87 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 2dbh h GLU 51 CO -0.21 1.25 0.02 0.93 -1.18 0.00 0.00 179.01 179.82 2dbh h GLU 52 N 0.23 0.57 0.00 1.92 5.08 -1.68 -2.13 114.58 118.57 2dbh h GLU 52 Ca -0.11 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2dbh h GLU 52 Cb 1.56 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2dbh h GLU 52 CO 0.18 0.58 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.47 2dbh h LEU 53 N 0.55 0.00 0.21 1.33 3.38 -1.01 -3.00 115.31 116.77 2dbh h LEU 53 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2dbh h LEU 53 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2dbh h LEU 53 CO 0.01 0.22 -0.10 -0.09 0.09 0.00 0.00 178.44 178.57 2dbh h ARG 54 N 0.00 -0.27 -0.36 1.13 2.43 -1.38 0.84 114.38 116.78 2dbh h ARG 54 Ca -0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2dbh h ARG 54 Cb 0.43 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2dbh h ARG 54 CO 0.03 -0.16 0.19 0.28 -1.51 0.00 0.00 179.97 178.80 2dbh h VAL 55 N -0.30 1.12 0.01 0.20 2.07 -1.58 -2.08 116.25 115.68 2dbh h VAL 55 Ca -0.03 -0.32 -0.23 0.00 0.82 0.00 0.00 66.70 66.95 2dbh h VAL 55 Cb 0.23 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2dbh h VAL 55 CO 0.05 0.13 -1.11 0.40 0.02 0.00 0.00 177.57 177.06 2dbh h ILE 56 N 0.50 1.59 -0.24 4.57 2.04 -1.34 -3.29 117.51 121.35 2dbh h ILE 56 Ca 0.13 -3.31 -0.08 0.00 1.00 0.00 0.00 64.86 62.60 2dbh h ILE 56 Cb 0.03 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 2dbh h ILE 56 CO -0.02 0.91 -0.19 -0.33 0.00 0.00 0.00 178.15 178.53 2dbh h GLU 57 N 0.01 0.43 -0.12 2.37 4.39 0.14 -2.55 114.58 119.24 2dbh h GLU 57 Ca -0.05 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.54 2dbh h GLU 57 Cb 1.82 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.42 2dbh h GLU 57 CO 0.13 0.60 0.08 0.93 -1.16 0.00 0.00 179.01 179.60 2dbh h GLU 58 N 0.39 0.00 -5.80 2.33 5.08 -1.48 -3.38 114.58 111.72 2dbh h GLU 58 Ca 0.07 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.80 2dbh h GLU 58 Cb 0.56 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.68 2dbh h GLU 58 CO 0.04 0.00 0.41 0.42 -1.00 0.00 0.00 179.01 178.88 2dbh s ILE 59 N -5.06 4.58 0.06 3.13 1.01 -0.96 -4.93 121.20 119.04 2dbh s ILE 59 Ca -0.05 0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.82 2dbh s ILE 59 Cb 0.18 -4.38 -0.17 0.00 0.01 0.00 0.00 42.46 38.09 2dbh s ILE 59 CO 0.68 -0.83 1.26 1.55 0.00 0.00 0.00 174.94 177.60 2dbh h PRO 60 N 9.07 0.62 -7.02 2.79 0.13 -1.84 -3.45 132.00 132.31 2dbh h PRO 60 Ca -0.25 -0.50 -0.56 0.00 -0.87 0.00 0.00 66.00 63.82 2dbh h PRO 60 Cb 1.08 0.10 0.15 0.00 0.13 0.00 0.00 31.00 32.46 2dbh h PRO 60 CO 1.00 1.12 0.52 1.04 -0.23 0.00 0.00 178.00 181.45 2dbh n GLN 61 N -4.14 1.48 0.07 0.86 1.13 -1.26 -4.94 117.38 110.58 2dbh n GLN 61 Ca -0.08 0.55 -0.16 0.00 -1.94 0.00 0.00 57.00 55.37 2dbh n GLN 61 Cb 0.65 -2.51 -0.14 0.00 0.11 0.00 0.00 30.24 28.35 2dbh n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dbh h ALA 62 N 1.14 0.24 -0.16 -1.58 0.00 -1.99 -2.79 119.26 114.12 2dbh h ALA 62 Ca -0.50 -1.06 -0.01 0.00 0.00 0.00 0.00 54.91 53.33 2dbh h ALA 62 Cb 1.32 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2dbh h ALA 62 CO 0.56 1.11 0.06 1.49 0.00 0.00 0.00 179.25 182.47 2dbh h GLU 63 N 0.07 0.24 -0.03 0.00 4.81 -1.99 -2.55 114.58 115.14 2dbh h GLU 63 Ca -0.22 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 2dbh h GLU 63 Cb 2.00 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.33 2dbh h GLU 63 CO 0.17 0.33 -0.55 0.22 -0.73 0.00 0.00 179.01 178.45 2dbh h ASP 64 N 0.10 0.10 -0.84 1.04 3.58 -1.97 -3.10 116.42 115.32 2dbh h ASP 64 Ca 0.05 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.46 2dbh h ASP 64 Cb 0.18 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 2dbh h ASP 64 CO -0.00 0.63 0.56 0.11 -2.88 0.00 0.00 179.24 177.65 2dbh h LYS 65 N 0.07 1.10 -0.90 0.28 1.57 -1.27 -2.19 116.57 115.22 2dbh h LYS 65 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2dbh h LYS 65 Cb 1.00 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 2dbh h LYS 65 CO 0.08 0.73 0.58 1.25 -0.57 0.00 0.00 179.45 181.51 2dbh h LEU 66 N 1.13 1.05 -1.55 2.94 5.85 -1.38 -1.71 115.31 121.64 2dbh h LEU 66 Ca 0.31 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2dbh h LEU 66 Cb -0.12 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 2dbh h LEU 66 CO -0.07 0.78 0.25 -0.78 -0.34 0.00 0.00 178.44 178.27 2dbh h ASP 67 N 1.23 0.48 0.15 1.25 1.82 -1.44 -1.98 116.42 117.92 2dbh h ASP 67 Ca 0.33 -0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.76 2dbh h ASP 67 Cb -0.11 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 39.77 2dbh h ASP 67 CO -0.07 0.37 -0.71 -0.09 -1.61 0.00 0.00 179.24 177.14 2dbh h ARG 68 N 0.56 0.50 0.37 0.28 9.65 -1.13 -2.94 114.38 121.67 2dbh h ARG 68 Ca 0.15 -0.39 -0.02 0.00 -1.10 0.00 0.00 59.98 58.62 2dbh h ARG 68 Cb -0.02 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 2dbh h ARG 68 CO -0.03 1.02 -0.18 1.25 2.80 0.00 0.00 179.97 184.83 2dbh h LEU 69 N 0.35 -0.42 -1.93 3.80 5.85 -0.83 -2.23 115.31 119.90 2dbh h LEU 69 Ca -0.03 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2dbh h LEU 69 Cb 1.29 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2dbh h LEU 69 CO 0.13 -0.30 0.10 -0.26 -0.34 0.00 0.00 178.44 177.77 2dbh h PHE 70 N -0.50 0.09 -0.35 1.25 -1.00 -1.53 0.37 116.94 115.27 2dbh h PHE 70 Ca -0.05 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 2dbh h PHE 70 Cb 0.38 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 2dbh h PHE 70 CO -0.05 0.06 0.11 1.49 -1.61 0.00 0.00 178.31 178.30 2dbh h GLU 71 N 0.10 0.54 0.00 1.51 4.22 -1.24 0.51 114.58 120.22 2dbh h GLU 71 Ca 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 2dbh h GLU 71 Cb 0.14 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2dbh h GLU 71 CO -0.01 0.57 -0.11 0.82 -2.18 0.00 0.00 179.01 178.11 2dbh h ILE 72 N 0.41 1.31 -0.03 2.32 2.04 -0.81 -3.31 117.51 119.43 2dbh h ILE 72 Ca 0.11 -2.02 -0.03 0.00 1.00 0.00 0.00 64.86 63.93 2dbh h ILE 72 Cb 0.26 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2dbh h ILE 72 CO -0.00 0.44 -0.11 0.40 0.00 0.00 0.00 178.15 178.89 2dbh h ILE 73 N -1.00 1.10 0.00 -0.67 1.08 -0.38 -1.84 117.51 115.79 2dbh h ILE 73 Ca -0.03 -0.44 -0.03 0.00 -0.39 0.00 0.00 64.86 63.98 2dbh h ILE 73 Cb 0.80 1.19 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2dbh h ILE 73 CO -0.02 0.13 -0.12 1.23 -0.69 0.00 0.00 178.15 178.68 2dbh h GLY 74 N 0.40 0.00 -1.56 5.37 0.00 -0.08 -2.64 103.07 104.55 2dbh h GLY 74 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 2dbh h GLY 74 CO 0.01 0.00 -0.50 -0.62 0.00 0.00 0.00 176.54 175.43 2dbh n VAL 75 N -3.96 2.31 -0.02 4.60 0.31 -0.73 -3.50 118.33 117.34 2dbh n VAL 75 Ca -0.02 -3.36 -0.02 0.00 -0.01 0.00 0.00 64.34 60.93 2dbh n VAL 75 Cb 0.21 -0.40 -0.01 0.00 -0.91 0.00 0.00 33.84 32.74 2dbh n VAL 75 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2dbh n LYS 76 N -1.05 0.10 -3.62 5.55 5.02 -0.98 -5.04 118.16 118.14 2dbh n LYS 76 Ca 0.25 0.04 -0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2dbh n LYS 76 Cb 0.77 -0.63 -0.01 0.00 -0.02 0.00 0.00 35.03 35.14 2dbh n LYS 76 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dbh s SER 77 N -4.51 -0.08 0.43 4.39 0.15 -1.26 -5.02 113.70 107.81 2dbh s SER 77 Ca -0.06 -0.11 0.21 0.00 0.70 0.00 0.00 55.95 56.70 2dbh s SER 77 Cb 0.01 0.17 0.95 0.00 -1.71 0.00 0.00 66.02 65.44 2dbh s SER 77 CO 0.08 -0.30 1.86 0.06 1.20 0.00 0.00 173.24 176.15 2dbh h GLN 78 N 2.00 0.00 -0.00 5.44 -0.00 -1.97 0.17 115.11 120.74 2dbh h GLN 78 Ca -0.25 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.32 2dbh h GLN 78 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.66 2dbh h GLN 78 CO 0.27 0.27 -0.36 1.49 -0.00 0.00 0.00 178.83 180.50 2dbh h GLU 79 N 0.00 0.01 0.01 0.06 4.81 -1.98 -1.63 114.58 115.86 2dbh h GLU 79 Ca -0.00 -0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.84 2dbh h GLU 79 Cb 0.67 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.98 2dbh h GLU 79 CO 0.04 0.37 -2.42 0.00 -0.73 0.00 0.00 179.01 176.27 2dbh n ALA 80 N -2.47 1.39 0.22 2.92 0.00 -1.03 -3.97 120.51 117.57 2dbh n ALA 80 Ca -0.02 -1.07 -0.15 0.00 0.00 0.00 0.00 53.44 52.21 2dbh n ALA 80 Cb 0.40 -0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 2dbh n ALA 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dbh h SER 81 N 0.01 -0.44 -0.09 0.00 0.87 -0.72 0.36 113.55 113.54 2dbh h SER 81 Ca -0.56 -0.04 0.02 0.00 -1.23 0.00 0.00 61.79 59.98 2dbh h SER 81 Cb 1.93 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 64.01 2dbh h SER 81 CO -0.06 -0.24 0.06 -0.61 -0.53 0.00 0.00 176.83 175.45 2dbh h GLN 82 N -0.63 0.02 0.02 2.24 -0.00 -1.51 -1.25 115.11 114.00 2dbh h GLN 82 Ca -0.05 -0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.37 2dbh h GLN 82 Cb 0.46 -0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.91 2dbh h GLN 82 CO 0.09 0.01 -1.13 1.15 0.00 0.00 0.00 178.83 178.95 2dbh h THR 83 N 0.02 1.57 -0.43 2.39 2.02 -1.61 -2.81 112.91 114.06 2dbh h THR 83 Ca 0.04 -3.28 -0.10 0.00 0.77 0.00 0.00 66.41 63.84 2dbh h THR 83 Cb 0.14 2.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 2dbh h THR 83 CO -0.00 0.90 -0.14 0.25 0.37 0.00 0.00 175.52 176.90 2dbh h LEU 84 N 0.01 0.87 -0.39 2.58 5.85 0.87 0.50 115.31 125.59 2dbh h LEU 84 Ca -0.07 -0.38 -0.18 0.00 0.84 0.00 0.00 57.88 58.10 2dbh h LEU 84 Cb 1.83 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 2dbh h LEU 84 CO 0.13 1.04 -0.79 -0.07 -0.34 0.00 0.00 178.44 178.42 2dbh h LEU 85 N 0.68 0.31 0.13 2.25 3.38 -1.47 -3.05 115.31 117.54 2dbh h LEU 85 Ca 0.11 -0.22 -0.29 0.00 0.09 0.00 0.00 57.88 57.57 2dbh h LEU 85 Cb 0.68 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.36 2dbh h LEU 85 CO 0.05 0.97 -1.28 -0.78 0.09 0.00 0.00 178.44 177.49 2dbh h ASP 86 N 0.16 0.57 -0.90 -0.43 3.58 -1.41 -3.25 116.42 114.73 2dbh h ASP 86 Ca -0.03 -0.59 0.01 0.00 0.42 0.00 0.00 57.03 56.84 2dbh h ASP 86 Cb 1.37 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 42.20 2dbh h ASP 86 CO 0.12 1.45 0.60 -1.28 -2.88 0.00 0.00 179.24 177.25 2dbh h SER 87 N 0.12 1.04 0.68 2.28 0.87 -0.03 0.69 113.55 119.19 2dbh h SER 87 Ca -0.16 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 2dbh h SER 87 Cb 1.99 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 63.69 2dbh h SER 87 CO 0.22 0.75 -0.33 0.58 -0.53 0.00 0.00 176.83 177.53 2dbh h VAL 88 N 1.23 0.32 -0.02 2.23 2.07 -1.61 0.20 116.25 120.67 2dbh h VAL 88 Ca 0.33 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.71 2dbh h VAL 88 Cb -0.14 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 2dbh h VAL 88 CO -0.07 0.01 -0.43 1.88 0.02 0.00 0.00 177.57 178.98 2dbh h TYR 89 N -0.94 0.05 -0.31 1.57 0.05 -1.56 0.44 116.97 116.27 2dbh h TYR 89 Ca -0.09 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.52 2dbh h TYR 89 Cb 0.71 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 2dbh h TYR 89 CO -0.02 0.46 -0.42 1.03 -1.05 0.00 0.00 178.16 178.16 2dbh h SER 90 N 0.04 0.81 0.42 3.88 0.87 0.56 -3.25 113.55 116.88 2dbh h SER 90 Ca -0.00 -0.38 -0.31 0.00 -1.23 0.00 0.00 61.79 59.87 2dbh h SER 90 Cb 0.77 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2dbh h SER 90 CO 0.06 1.12 -1.65 0.45 -0.53 0.00 0.00 176.83 176.28 2dbh h HIS 91 N 0.61 0.31 -3.50 2.24 3.86 -0.41 -3.41 115.15 114.86 2dbh h HIS 91 Ca 0.05 -0.23 -0.71 0.00 -1.16 0.00 0.00 60.37 58.32 2dbh h HIS 91 Cb 0.97 -0.01 -0.34 0.00 1.06 0.00 0.00 27.41 29.09 2dbh h HIS 91 CO 0.05 1.35 -0.22 -0.51 0.86 0.00 0.00 177.93 179.45 2dbh s LEU 92 N -6.74 5.49 0.27 2.43 1.43 0.15 -4.90 118.68 116.82 2dbh s LEU 92 Ca -0.10 -3.16 0.11 0.00 -1.03 0.00 0.00 54.13 49.95 2dbh s LEU 92 Cb 0.07 -1.91 0.35 0.00 0.03 0.00 0.00 46.19 44.74 2dbh s LEU 92 CO 0.83 -0.32 1.60 1.55 0.23 0.00 0.00 176.35 180.24 2dbh h PRO 93 N 6.72 0.00 -0.24 1.29 0.13 -1.80 -3.11 132.00 135.00 2dbh h PRO 93 Ca 0.06 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.20 2dbh h PRO 93 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2dbh h PRO 93 CO 0.76 0.62 0.16 -0.44 -0.23 0.00 0.00 178.00 178.88 2dbh h ASP 94 N 0.00 0.24 -0.18 1.44 3.32 -1.90 -1.28 116.42 118.05 2dbh h ASP 94 Ca -0.01 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2dbh h ASP 94 Cb 1.11 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 2dbh h ASP 94 CO 0.08 0.17 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.68 2dbh h LEU 95 N 0.28 0.43 -7.00 1.55 3.38 -1.92 -3.46 115.31 108.56 2dbh h LEU 95 Ca 0.09 -0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.23 2dbh h LEU 95 Cb 0.04 -0.11 -0.25 0.00 0.09 0.00 0.00 40.66 40.43 2dbh h LEU 95 CO -0.02 0.51 0.89 -0.76 0.09 0.00 0.00 178.44 179.15 2dbh s LEU 96 N -9.01 -0.08 0.55 1.67 1.43 -0.48 -5.12 118.68 107.63 2dbh s LEU 96 Ca -0.07 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2dbh s LEU 96 Cb 0.16 1.21 0.00 0.00 0.03 0.00 0.00 46.19 47.58 2dbh s LEU 96 CO 0.76 -0.10 0.00 -0.24 0.23 0.00 0.00 176.35 177.00 2dbh n SER 97 N 0.36 -8.19 0.00 2.29 2.88 -1.25 -4.54 113.62 105.16 2dbh n SER 97 Ca -0.00 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 2dbh n SER 97 Cb 0.58 -4.77 0.00 0.00 -0.75 0.00 0.00 64.21 59.28 2dbh n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbh n GLY 98 N -4.31 3.37 3.27 0.46 0.00 -1.26 -4.50 105.19 102.22 2dbh n GLY 98 Ca -0.07 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 2dbh n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dbh n PRO 99 N -1.79 -1.71 -3.70 1.61 -0.02 -1.26 -5.05 135.00 123.08 2dbh n PRO 99 Ca 0.00 -0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 60.98 2dbh n PRO 99 Cb 0.00 -1.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 2dbh n PRO 99 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2dbh s SER 100 N -1.86 -0.12 -0.20 2.55 1.04 -1.26 -5.08 113.70 108.77 2dbh s SER 100 Ca 0.56 -0.29 -0.18 0.00 0.48 0.00 0.00 55.95 56.51 2dbh s SER 100 Cb -0.12 0.35 -0.15 0.00 0.10 0.00 0.00 66.02 66.20 2dbh s SER 100 CO 0.65 -0.64 0.06 -0.24 0.98 0.00 0.00 173.24 174.05 2dbh n SER 101 N -0.49 1.86 0.00 7.02 2.88 -1.26 -5.35 113.62 118.27 2dbh n SER 101 Ca -0.07 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 2dbh n SER 101 Cb 0.62 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2dbh n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42