#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbh s SER 2 N 0.00 5.65 0.30 1.61 0.01 -1.26 -4.97 113.70 115.04 2dbh s SER 2 Ca 0.00 0.05 -0.29 0.00 1.31 0.00 0.00 55.95 57.02 2dbh s SER 2 Cb 0.00 -1.19 -0.11 0.00 0.21 0.00 0.00 66.02 64.94 2dbh s SER 2 CO 0.00 -0.82 1.46 -0.94 0.41 0.00 0.00 173.24 173.35 2dbh s SER 3 N -4.29 6.56 0.00 2.44 1.04 -1.26 -3.67 113.70 114.51 2dbh s SER 3 Ca 0.51 2.81 0.00 0.00 0.48 0.00 0.00 55.95 59.75 2dbh s SER 3 Cb -0.10 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2dbh s SER 3 CO 0.37 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2dbh n GLY 4 N 1.60 1.92 3.46 7.32 0.00 -1.26 -4.95 105.19 113.28 2dbh n GLY 4 Ca 0.05 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 2dbh n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbh s SER 5 N -0.38 6.06 0.39 1.61 0.01 -1.24 -5.07 113.70 115.08 2dbh s SER 5 Ca 0.00 -0.83 -0.24 0.00 1.31 0.00 0.00 55.95 56.19 2dbh s SER 5 Cb 0.00 -2.14 -0.09 0.00 0.21 0.00 0.00 66.02 63.99 2dbh s SER 5 CO 0.00 -0.41 1.02 -0.55 0.41 0.00 0.00 173.24 173.70 2dbh s SER 6 N 1.67 6.89 0.00 2.44 0.15 -1.26 -3.99 113.70 119.60 2dbh s SER 6 Ca 0.05 1.95 0.00 0.00 0.70 0.00 0.00 55.95 58.65 2dbh s SER 6 Cb -0.19 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 2dbh s SER 6 CO 0.10 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2dbh n GLY 7 N 0.26 3.17 2.58 9.45 0.00 -1.26 -4.99 105.19 114.40 2dbh n GLY 7 Ca 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 2dbh n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dbh n SER 8 N 0.00 -1.31 0.16 1.61 3.41 -1.26 -4.98 113.62 111.25 2dbh n SER 8 Ca 0.00 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 2dbh n SER 8 Cb 0.00 2.16 0.00 0.00 -0.26 0.00 0.00 64.21 66.11 2dbh n SER 8 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dbh n SER 9 N -1.17 -2.84 -3.15 4.04 3.41 -1.26 -4.13 113.62 108.51 2dbh n SER 9 Ca -0.03 0.70 0.04 0.00 -0.26 0.00 0.00 58.87 59.32 2dbh n SER 9 Cb 0.40 2.79 -0.00 0.00 -0.26 0.00 0.00 64.21 67.13 2dbh n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dbh s ALA 10 N -1.83 -2.58 0.63 7.33 0.00 -1.26 -5.01 121.76 119.05 2dbh s ALA 10 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2dbh s ALA 10 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.51 2dbh s ALA 10 CO 0.00 -1.94 0.00 1.28 0.00 0.00 0.00 175.76 175.10 2dbh n LEU 11 N 5.17 -1.13 -3.18 0.00 4.32 -1.26 -4.98 117.00 115.93 2dbh n LEU 11 Ca 0.07 2.51 0.02 0.00 -0.02 0.00 0.00 56.01 58.59 2dbh n LEU 11 Cb 0.55 -3.09 -0.01 0.00 -1.62 0.00 0.00 43.42 39.26 2dbh n LEU 11 CO -0.06 -2.00 0.11 -0.44 -1.22 0.00 0.00 177.39 173.78 2dbh s SER 12 N -7.08 -1.51 0.00 -1.43 0.01 -1.26 -5.03 113.70 97.41 2dbh s SER 12 Ca 0.00 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2dbh s SER 12 Cb 0.00 1.93 0.00 0.00 0.21 0.00 0.00 66.02 68.16 2dbh s SER 12 CO 0.00 -0.19 0.00 0.54 0.41 0.00 0.00 173.24 174.00 2dbh n ARG 13 N 4.62 0.00 -3.17 12.44 1.74 -1.26 -4.28 116.66 126.75 2dbh n ARG 13 Ca 0.10 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.23 2dbh n ARG 13 Cb 0.57 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.98 2dbh n ARG 13 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2dbh s ASN 14 N -1.04 -0.23 0.00 0.55 3.04 -1.26 -5.05 114.94 110.95 2dbh s ASN 14 Ca 0.00 0.18 0.00 0.00 0.04 0.00 0.00 52.86 53.08 2dbh s ASN 14 Cb 0.00 1.21 0.00 0.00 -1.54 0.00 0.00 41.25 40.92 2dbh s ASN 14 CO 0.00 -0.04 0.00 0.61 -3.04 0.00 0.00 177.10 174.63 2dbh n GLY 15 N 5.30 0.31 3.75 1.21 0.00 -1.26 -5.14 105.19 109.37 2dbh n GLY 15 Ca -0.08 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2dbh n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dbh s SER 16 N 0.00 7.55 -0.05 1.61 1.04 -1.26 -4.68 113.70 117.91 2dbh s SER 16 Ca 0.00 2.01 -0.00 0.00 0.48 0.00 0.00 55.95 58.44 2dbh s SER 16 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 2dbh s SER 16 CO 0.00 0.08 -0.05 0.49 0.98 0.00 0.00 173.24 174.74 2dbh n PHE 17 N 1.38 0.00 -4.32 5.02 3.72 -0.60 -4.99 117.46 117.66 2dbh n PHE 17 Ca -0.02 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.04 2dbh n PHE 17 Cb 0.47 -0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 38.72 2dbh n PHE 17 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2dbh s ILE 18 N -2.10 4.35 0.41 4.37 1.01 -1.22 -5.04 121.20 122.97 2dbh s ILE 18 Ca -0.07 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.33 2dbh s ILE 18 Cb 0.02 -2.86 0.06 0.00 0.01 0.00 0.00 42.46 39.69 2dbh s ILE 18 CO 0.11 0.55 0.50 0.35 0.00 0.00 0.00 174.94 176.45 2dbh n THR 19 N 1.93 0.00 0.05 2.92 -2.24 -1.26 -4.98 114.28 110.70 2dbh n THR 19 Ca -0.18 -1.43 -0.09 0.00 -2.27 0.00 0.00 64.05 60.09 2dbh n THR 19 Cb 0.53 -0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 68.11 2dbh n THR 19 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2dbh h LYS 20 N 0.00 0.06 -0.08 -0.78 -0.00 -1.99 -3.22 116.57 110.55 2dbh h LYS 20 Ca -0.21 -0.10 -0.04 0.00 -0.00 0.00 0.00 60.65 60.30 2dbh h LYS 20 Cb 0.89 0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 33.15 2dbh h LYS 20 CO 0.31 0.94 -0.13 1.49 -0.00 0.00 0.00 179.45 182.06 2dbh h GLU 21 N 0.02 0.12 0.00 0.07 4.81 -1.98 0.64 114.58 118.26 2dbh h GLU 21 Ca -0.10 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2dbh h GLU 21 Cb 1.87 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.23 2dbh h GLU 21 CO 0.13 0.26 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.45 2dbh h LYS 22 N 0.12 -0.00 -0.08 1.92 1.63 -1.98 -3.15 116.57 115.03 2dbh h LYS 22 Ca 0.03 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.77 2dbh h LYS 22 Cb 0.31 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 2dbh h LYS 22 CO 0.02 0.74 -0.22 0.87 -3.45 0.00 0.00 179.45 177.41 2dbh h LYS 23 N -0.75 0.13 0.00 1.90 1.57 -1.53 -1.70 116.57 116.19 2dbh h LYS 23 Ca -0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2dbh h LYS 23 Cb 0.74 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2dbh h LYS 23 CO 0.00 0.35 -0.23 -0.44 -0.57 0.00 0.00 179.45 178.57 2dbh h ASP 24 N 0.13 0.00 0.56 0.86 5.19 -0.93 -2.18 116.42 120.05 2dbh h ASP 24 Ca 0.02 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.15 2dbh h ASP 24 Cb 0.46 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.93 2dbh h ASP 24 CO 0.03 0.23 -1.59 0.74 -3.12 0.00 0.00 179.24 175.53 2dbh h THR 25 N 0.00 1.01 -0.63 0.35 2.02 -1.37 -3.00 112.91 111.28 2dbh h THR 25 Ca -0.00 -2.82 -0.09 0.00 0.77 0.00 0.00 66.41 64.28 2dbh h THR 25 Cb 0.40 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 2dbh h THR 25 CO 0.03 0.62 0.06 0.58 0.37 0.00 0.00 175.52 177.17 2dbh h VAL 26 N 0.01 1.26 0.00 3.16 2.07 -1.02 -2.94 116.25 118.79 2dbh h VAL 26 Ca -0.24 -1.09 -0.17 0.00 0.82 0.00 0.00 66.70 66.01 2dbh h VAL 26 Cb 1.97 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2dbh h VAL 26 CO 0.09 0.40 -0.87 -0.07 0.02 0.00 0.00 177.57 177.15 2dbh h LEU 27 N 0.99 0.00 -0.40 2.57 3.38 -1.55 -3.32 115.31 116.98 2dbh h LEU 27 Ca 0.19 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.20 2dbh h LEU 27 Cb 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2dbh h LEU 27 CO 0.02 0.80 0.15 -0.09 0.09 0.00 0.00 178.44 179.42 2dbh h ARG 28 N 0.00 0.31 -0.12 1.13 2.43 -1.37 0.16 114.38 116.93 2dbh h ARG 28 Ca -0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2dbh h ARG 28 Cb 1.63 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 2dbh h ARG 28 CO 0.10 0.21 -0.07 1.96 -1.51 0.00 0.00 179.97 180.66 2dbh h GLN 29 N 0.32 0.18 0.00 0.20 4.20 -1.63 -1.53 115.11 116.85 2dbh h GLN 29 Ca 0.18 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2dbh h GLN 29 Cb 0.15 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2dbh h GLN 29 CO -0.17 0.26 -0.00 0.28 -0.67 0.00 0.00 178.83 178.53 2dbh h VAL 30 N 0.17 1.56 -0.10 -0.54 2.07 -1.35 -1.62 116.25 116.44 2dbh h VAL 30 Ca 0.04 -1.71 0.01 0.00 0.82 0.00 0.00 66.70 65.86 2dbh h VAL 30 Cb 0.24 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2dbh h VAL 30 CO 0.01 0.44 0.07 0.03 0.02 0.00 0.00 177.57 178.14 2dbh h ARG 31 N -0.74 0.09 0.10 1.57 -0.00 -0.58 -2.88 114.38 111.94 2dbh h ARG 31 Ca -0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 2dbh h ARG 31 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.68 2dbh h ARG 31 CO 0.00 0.06 -0.05 -0.07 0.00 0.00 0.00 179.97 179.92 2dbh h LEU 32 N 0.10 -0.11 -7.60 3.04 3.38 -1.31 -3.42 115.31 109.38 2dbh h LEU 32 Ca 0.04 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.32 2dbh h LEU 32 Cb 0.05 0.03 -0.35 0.00 0.09 0.00 0.00 40.66 40.48 2dbh h LEU 32 CO -0.01 0.26 -0.39 -0.62 0.09 0.00 0.00 178.44 177.77 2dbh s ASP 33 N -4.78 5.25 -0.19 -0.43 -1.08 -0.61 -5.07 116.67 109.76 2dbh s ASP 33 Ca -0.02 -2.73 -0.38 0.00 -0.52 0.00 0.00 52.55 48.90 2dbh s ASP 33 Cb 0.00 -1.85 -0.14 0.00 -1.46 0.00 0.00 42.92 39.47 2dbh s ASP 33 CO 0.06 -0.40 1.79 -2.65 0.52 0.00 0.00 175.17 174.49 2dbh n PRO 34 N 3.65 1.58 -4.18 4.34 -0.02 -1.09 -4.56 135.00 134.71 2dbh n PRO 34 Ca 0.06 0.58 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 2dbh n PRO 34 Cb 0.38 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 2dbh n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dbh s ASP 36 N -3.12 6.80 -0.22 0.00 1.11 -1.26 -4.92 116.67 115.07 2dbh s ASP 36 Ca 0.31 2.39 0.12 0.00 0.18 0.00 0.00 52.55 55.55 2dbh s ASP 36 Cb 0.07 -2.59 0.44 0.00 1.07 0.00 0.00 42.92 41.91 2dbh s ASP 36 CO 0.07 -0.65 1.20 0.18 1.18 0.00 0.00 175.17 177.15 2dbh n LEU 37 N 3.59 3.14 -0.09 1.23 4.77 -1.26 -4.78 117.00 123.60 2dbh n LEU 37 Ca 0.10 -3.92 -0.17 0.00 -0.03 0.00 0.00 56.01 51.99 2dbh n LEU 37 Cb 0.42 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 2dbh n LEU 37 CO 0.59 1.51 -0.27 -0.61 -1.33 0.00 0.00 177.39 177.28 2dbh h GLN 38 N 1.45 0.00 -0.65 3.23 5.75 -2.00 -3.33 115.11 119.57 2dbh h GLN 38 Ca 0.08 0.00 0.19 0.00 -0.15 0.00 0.00 58.65 58.77 2dbh h GLN 38 Cb 1.27 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.80 2dbh h GLN 38 CO 0.25 0.84 0.61 -1.35 -2.65 0.00 0.00 178.83 176.54 2dbh h PRO 39 N -1.00 0.00 0.01 -2.39 0.11 -1.97 0.50 132.00 127.27 2dbh h PRO 39 Ca -0.21 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.70 2dbh h PRO 39 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2dbh h PRO 39 CO -0.13 0.00 -0.92 0.82 -0.21 0.00 0.00 178.00 177.56 2dbh h ILE 40 N 0.00 1.60 0.14 4.15 2.04 -1.90 -3.12 117.51 120.43 2dbh h ILE 40 Ca 0.31 -2.98 -0.34 0.00 1.00 0.00 0.00 64.86 62.84 2dbh h ILE 40 Cb 1.53 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 40.24 2dbh h ILE 40 CO -0.00 0.86 -1.78 -0.26 0.00 0.00 0.00 178.15 176.97 2dbh h PHE 41 N 0.03 0.55 0.00 1.37 -1.00 -0.29 -2.71 116.94 114.88 2dbh h PHE 41 Ca -0.03 -0.40 0.00 0.00 2.81 0.00 0.00 57.97 60.35 2dbh h PHE 41 Cb 1.60 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.14 2dbh h PHE 41 CO 0.01 1.60 0.00 0.22 -1.61 0.00 0.00 178.31 178.53 2dbh h ASP 42 N 0.08 0.00 0.00 2.17 3.58 -0.64 0.96 116.42 122.58 2dbh h ASP 42 Ca -0.34 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 56.85 2dbh h ASP 42 Cb 2.06 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 43.06 2dbh h ASP 42 CO 0.14 0.00 -2.08 -0.67 -2.88 0.00 0.00 179.24 173.75 2dbh n ASP 43 N -2.63 0.95 0.00 2.28 2.03 -1.18 -4.52 116.55 113.49 2dbh n ASP 43 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2dbh n ASP 43 Cb 0.16 1.02 -0.11 0.00 -0.72 0.00 0.00 41.12 41.47 2dbh n ASP 43 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2dbh n MET 44 N -2.54 0.64 0.05 -0.67 2.81 -1.02 -4.13 117.12 112.25 2dbh n MET 44 Ca -0.24 0.11 0.20 0.00 -1.81 0.00 0.00 57.70 55.96 2dbh n MET 44 Cb 0.96 -1.71 0.73 0.00 -0.71 0.00 0.00 33.22 32.48 2dbh n MET 44 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2dbh h LEU 45 N 0.00 0.00 -0.96 4.03 3.38 0.73 0.18 115.31 122.67 2dbh h LEU 45 Ca -0.20 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 2dbh h LEU 45 Cb 1.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2dbh h LEU 45 CO 0.03 0.00 -0.50 -0.74 0.09 0.00 0.00 178.44 177.32 2dbh h HIS 46 N 0.00 0.05 0.46 1.13 2.76 -1.79 -3.23 115.15 114.53 2dbh h HIS 46 Ca 0.22 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.35 2dbh h HIS 46 Cb 0.97 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.93 2dbh h HIS 46 CO 0.00 0.54 -0.22 0.74 -1.30 0.00 0.00 177.93 177.69 2dbh h PHE 47 N 0.03 -0.57 -3.22 5.26 -1.00 -0.86 -3.44 116.94 113.14 2dbh h PHE 47 Ca -0.00 -0.01 -0.43 0.00 2.81 0.00 0.00 57.97 60.34 2dbh h PHE 47 Cb 0.90 0.19 0.21 0.00 3.61 0.00 0.00 35.95 40.86 2dbh h PHE 47 CO 0.00 -0.28 -0.01 -0.51 -1.61 0.00 0.00 178.31 175.90 2dbh s LEU 48 N -9.82 0.54 0.30 1.54 1.02 -1.20 -5.05 118.68 106.01 2dbh s LEU 48 Ca -0.16 1.39 0.07 0.00 0.02 0.00 0.00 54.13 55.46 2dbh s LEU 48 Cb 0.03 -3.23 -0.03 0.00 0.02 0.00 0.00 46.19 42.98 2dbh s LEU 48 CO 0.58 -4.36 0.26 0.20 0.02 0.00 0.00 176.35 173.05 2dbh s ASN 49 N -2.62 5.42 0.20 2.29 0.01 -1.26 -4.94 114.94 114.03 2dbh s ASN 49 Ca 0.68 -0.38 -0.12 0.00 -0.71 0.00 0.00 52.86 52.34 2dbh s ASN 49 Cb -0.24 -1.16 0.25 0.00 0.41 0.00 0.00 41.25 40.51 2dbh s ASN 49 CO 0.64 -0.23 1.69 -0.65 -1.51 0.00 0.00 177.10 177.03 2dbh h PRO 50 N 1.32 0.16 -0.63 -0.60 0.11 -1.96 0.41 132.00 130.81 2dbh h PRO 50 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 2dbh h PRO 50 Cb 1.25 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2dbh h PRO 50 CO 0.59 0.11 0.27 1.49 -0.21 0.00 0.00 178.00 180.25 2dbh h GLU 51 N 0.17 0.93 -0.05 1.05 4.57 -2.02 -2.54 114.58 116.68 2dbh h GLU 51 Ca 0.29 -0.16 -0.11 0.00 -1.18 0.00 0.00 59.36 58.21 2dbh h GLU 51 Cb 0.44 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2dbh h GLU 51 CO -0.44 0.77 -0.45 0.93 -1.18 0.00 0.00 179.01 178.64 2dbh h GLU 52 N 0.87 0.12 -0.13 1.92 5.08 -1.68 -2.84 114.58 117.93 2dbh h GLU 52 Ca 0.21 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2dbh h GLU 52 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2dbh h GLU 52 CO -0.02 0.55 0.02 -0.07 -1.00 0.00 0.00 179.01 178.49 2dbh h LEU 53 N 0.10 0.16 -1.76 1.33 3.38 0.19 -1.66 115.31 117.06 2dbh h LEU 53 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2dbh h LEU 53 Cb 0.84 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2dbh h LEU 53 CO 0.06 0.18 0.12 -0.09 0.09 0.00 0.00 178.44 178.81 2dbh h ARG 54 N 0.18 0.28 -0.09 1.13 2.43 -1.35 0.40 114.38 117.36 2dbh h ARG 54 Ca 0.05 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2dbh h ARG 54 Cb 0.10 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2dbh h ARG 54 CO -0.00 0.21 -0.29 0.28 -1.51 0.00 0.00 179.97 178.66 2dbh h VAL 55 N 0.29 1.24 0.02 0.20 2.07 -1.43 -2.76 116.25 115.88 2dbh h VAL 55 Ca 0.08 -1.15 -0.32 0.00 0.82 0.00 0.00 66.70 66.13 2dbh h VAL 55 Cb -0.00 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2dbh h VAL 55 CO -0.01 0.34 -1.91 -0.38 0.02 0.00 0.00 177.57 175.62 2dbh n ILE 56 N -4.15 1.59 0.02 4.57 5.41 -0.53 -4.13 119.36 122.13 2dbh n ILE 56 Ca -0.01 -0.78 0.04 0.00 1.00 0.00 0.00 62.75 63.00 2dbh n ILE 56 Cb 0.37 -1.03 0.44 0.00 -0.71 0.00 0.00 39.64 38.71 2dbh n ILE 56 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2dbh h GLU 57 N 0.01 0.51 0.00 0.38 5.08 -0.18 -1.24 114.58 119.14 2dbh h GLU 57 Ca -0.37 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2dbh h GLU 57 Cb 2.06 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.19 2dbh h GLU 57 CO 0.06 0.34 -0.06 0.93 -1.00 0.00 0.00 179.01 179.28 2dbh h GLU 58 N 0.52 0.00 -6.42 2.33 5.08 -1.65 -3.39 114.58 111.05 2dbh h GLU 58 Ca 0.14 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.92 2dbh h GLU 58 Cb -0.06 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.11 2dbh h GLU 58 CO -0.03 0.06 0.76 0.42 -1.00 0.00 0.00 179.01 179.22 2dbh s ILE 59 N -4.92 4.36 0.02 3.13 1.01 -0.47 -4.92 121.20 119.41 2dbh s ILE 59 Ca -0.05 1.08 -0.19 0.00 0.00 0.00 0.00 60.65 61.49 2dbh s ILE 59 Cb 0.17 -4.51 -0.21 0.00 0.01 0.00 0.00 42.46 37.92 2dbh s ILE 59 CO 0.67 -0.87 1.15 1.55 0.00 0.00 0.00 174.94 177.44 2dbh h PRO 60 N 9.03 0.43 -7.17 2.79 0.13 -1.84 -3.45 132.00 131.92 2dbh h PRO 60 Ca -0.23 -0.41 -0.54 0.00 -0.87 0.00 0.00 66.00 63.95 2dbh h PRO 60 Cb 1.07 0.10 0.17 0.00 0.13 0.00 0.00 31.00 32.47 2dbh h PRO 60 CO 1.07 1.06 0.41 -0.65 -0.23 0.00 0.00 178.00 179.66 2dbh s GLN 61 N -3.40 2.07 -0.08 0.86 -1.52 -1.26 -4.97 119.66 111.37 2dbh s GLN 61 Ca -0.13 1.84 -0.15 0.00 -1.95 0.00 0.00 55.36 54.97 2dbh s GLN 61 Cb 0.04 -1.81 -0.29 0.00 -0.22 0.00 0.00 33.01 30.73 2dbh s GLN 61 CO 0.82 -1.91 0.64 0.00 -0.25 0.00 0.00 175.29 174.58 2dbh h ALA 62 N -0.29 0.13 -0.32 6.09 0.00 -1.99 -2.95 119.26 119.93 2dbh h ALA 62 Ca -0.48 -1.05 0.01 0.00 0.00 0.00 0.00 54.91 53.39 2dbh h ALA 62 Cb 1.31 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 2dbh h ALA 62 CO 0.49 0.82 0.21 0.93 0.00 0.00 0.00 179.25 181.70 2dbh h GLU 63 N -0.18 0.41 0.00 0.00 3.07 -1.99 -2.17 114.58 113.71 2dbh h GLU 63 Ca -0.30 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.45 2dbh h GLU 63 Cb 1.86 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.66 2dbh h GLU 63 CO 0.11 0.27 -0.44 0.22 -1.40 0.00 0.00 179.01 177.78 2dbh h ASP 64 N 0.43 0.00 -0.25 1.42 3.58 -1.98 -3.13 116.42 116.48 2dbh h ASP 64 Ca 0.12 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.59 2dbh h ASP 64 Cb -0.04 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 2dbh h ASP 64 CO -0.04 0.44 0.10 0.50 -2.88 0.00 0.00 179.24 177.36 2dbh h LYS 65 N 0.00 0.22 -0.15 0.28 3.64 -1.21 -1.74 116.57 117.61 2dbh h LYS 65 Ca -0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2dbh h LYS 65 Cb 0.83 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2dbh h LYS 65 CO 0.06 0.15 0.09 1.25 -2.27 0.00 0.00 179.45 178.72 2dbh h LEU 66 N 0.23 0.18 -1.83 5.20 5.85 -1.44 -1.10 115.31 122.40 2dbh h LEU 66 Ca 0.11 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.84 2dbh h LEU 66 Cb 0.06 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2dbh h LEU 66 CO -0.10 0.14 0.14 -0.78 -0.34 0.00 0.00 178.44 177.50 2dbh h ASP 67 N 0.21 0.20 0.50 1.25 3.58 -1.34 -2.04 116.42 118.77 2dbh h ASP 67 Ca 0.06 -0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.21 2dbh h ASP 67 Cb -0.01 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2dbh h ASP 67 CO -0.01 0.14 -1.66 -0.09 -2.88 0.00 0.00 179.24 174.74 2dbh h ARG 68 N 0.23 0.05 -0.60 0.28 9.65 -1.15 -3.22 114.38 119.62 2dbh h ARG 68 Ca 0.08 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2dbh h ARG 68 Cb 0.05 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.63 2dbh h ARG 68 CO -0.02 0.67 0.39 1.25 2.80 0.00 0.00 179.97 185.07 2dbh h LEU 69 N 0.01 0.67 -0.58 3.80 5.85 -0.68 -2.10 115.31 122.28 2dbh h LEU 69 Ca -0.27 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 2dbh h LEU 69 Cb 1.99 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.84 2dbh h LEU 69 CO 0.09 0.48 -0.56 -0.26 -0.34 0.00 0.00 178.44 177.85 2dbh h PHE 70 N 0.80 0.00 -0.47 1.25 -1.00 -1.55 -2.29 116.94 113.68 2dbh h PHE 70 Ca 0.22 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.94 2dbh h PHE 70 Cb -0.07 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 2dbh h PHE 70 CO -0.04 0.56 0.02 1.49 -1.61 0.00 0.00 178.31 178.74 2dbh h GLU 71 N 0.00 0.77 0.00 1.51 4.57 -1.41 0.84 114.58 120.86 2dbh h GLU 71 Ca -0.01 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 57.95 2dbh h GLU 71 Cb 1.17 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2dbh h GLU 71 CO 0.07 0.76 -0.24 0.82 -1.18 0.00 0.00 179.01 179.25 2dbh h ILE 72 N 0.72 0.81 0.00 2.32 2.04 -1.37 -3.34 117.51 118.69 2dbh h ILE 72 Ca 0.15 -1.68 -0.07 0.00 1.00 0.00 0.00 64.86 64.26 2dbh h ILE 72 Cb 0.41 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2dbh h ILE 72 CO 0.01 0.28 -0.33 0.40 0.00 0.00 0.00 178.15 178.51 2dbh h ILE 73 N -1.00 1.16 -0.04 -0.67 2.04 -1.47 -2.68 117.51 114.85 2dbh h ILE 73 Ca -0.05 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.67 2dbh h ILE 73 Cb 0.62 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2dbh h ILE 73 CO -0.03 0.32 0.04 1.23 0.00 0.00 0.00 178.15 179.71 2dbh h GLY 74 N 1.10 0.00 -1.96 5.37 0.00 0.57 -2.21 103.07 105.94 2dbh h GLY 74 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 2dbh h GLY 74 CO 0.04 0.00 -0.62 3.33 0.00 0.00 0.00 176.54 179.29 2dbh n VAL 75 N -4.14 2.25 -0.01 4.60 0.24 -1.02 -1.56 118.33 118.69 2dbh n VAL 75 Ca -0.02 -3.50 -0.01 0.00 -2.04 0.00 0.00 64.34 58.77 2dbh n VAL 75 Cb 0.13 -0.48 -0.00 0.00 -1.47 0.00 0.00 33.84 32.02 2dbh n VAL 75 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2dbh n LYS 76 N -0.95 0.06 -3.55 7.34 4.81 -0.83 -5.00 118.16 120.04 2dbh n LYS 76 Ca 0.26 0.02 -0.07 0.00 -0.87 0.00 0.00 58.31 57.66 2dbh n LYS 76 Cb 0.79 -0.49 -0.03 0.00 0.02 0.00 0.00 35.03 35.33 2dbh n LYS 76 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dbh s SER 77 N -4.54 -0.27 0.55 3.14 0.15 -1.25 -5.02 113.70 106.45 2dbh s SER 77 Ca -0.03 0.06 0.32 0.00 0.70 0.00 0.00 55.95 56.99 2dbh s SER 77 Cb 0.00 0.27 1.54 0.00 -1.71 0.00 0.00 66.02 66.13 2dbh s SER 77 CO 0.05 -0.42 2.08 -0.61 1.20 0.00 0.00 173.24 175.53 2dbh h GLN 78 N 2.08 0.00 0.00 5.44 4.15 -1.96 -0.16 115.11 124.66 2dbh h GLN 78 Ca -0.16 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 2dbh h GLN 78 Cb 1.20 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 2dbh h GLN 78 CO 0.28 0.08 -0.14 0.93 -1.93 0.00 0.00 178.83 178.05 2dbh h GLU 79 N 0.00 0.00 0.00 1.69 5.08 -1.97 -2.13 114.58 117.25 2dbh h GLU 79 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2dbh h GLU 79 Cb 0.37 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 2dbh h GLU 79 CO 0.01 0.14 -2.00 0.00 -1.00 0.00 0.00 179.01 176.16 2dbh n ALA 80 N -2.50 1.63 0.16 3.43 0.00 -0.93 -4.26 120.51 118.04 2dbh n ALA 80 Ca -0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 53.44 52.38 2dbh n ALA 80 Cb 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 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 0.00 -0.29 -0.89 0.00 0.87 -1.01 0.83 113.55 113.06 2dbh h SER 81 Ca -0.39 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.18 2dbh h SER 81 Cb 1.80 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 63.78 2dbh h SER 81 CO -0.01 -0.17 0.59 -0.61 -0.53 0.00 0.00 176.83 176.10 2dbh h GLN 82 N -0.38 1.09 0.01 2.24 5.75 -1.63 -2.03 115.11 120.16 2dbh h GLN 82 Ca -0.03 -0.07 -0.20 0.00 -0.15 0.00 0.00 58.65 58.20 2dbh h GLN 82 Cb 0.29 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 2dbh h GLN 82 CO 0.06 0.72 -0.91 1.15 -2.65 0.00 0.00 178.83 177.20 2dbh h THR 83 N 1.13 1.51 -0.02 2.39 2.02 -1.68 -2.90 112.91 115.36 2dbh h THR 83 Ca 0.35 -2.72 0.01 0.00 0.77 0.00 0.00 66.41 64.82 2dbh h THR 83 Cb -0.00 2.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2dbh h THR 83 CO -0.10 0.79 0.02 0.25 0.37 0.00 0.00 175.52 176.85 2dbh h LEU 84 N 0.10 0.00 0.00 2.58 5.85 0.14 0.62 115.31 124.59 2dbh h LEU 84 Ca -0.05 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.39 2dbh h LEU 84 Cb 1.56 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 2dbh h LEU 84 CO 0.14 0.00 -1.68 0.18 -0.34 0.00 0.00 178.44 176.74 2dbh n LEU 85 N -4.19 0.86 0.09 2.25 4.77 -1.06 -4.01 117.00 115.71 2dbh n LEU 85 Ca -0.02 0.41 -0.16 0.00 -0.03 0.00 0.00 56.01 56.20 2dbh n LEU 85 Cb 0.11 0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.22 2dbh n LEU 85 CO 0.31 0.36 -0.14 0.44 -1.33 0.00 0.00 177.39 177.02 2dbh h ASP 86 N 0.00 0.40 -0.87 -1.43 5.19 -1.12 -3.33 116.42 115.26 2dbh h ASP 86 Ca -0.27 -0.46 0.05 0.00 -0.62 0.00 0.00 57.03 55.72 2dbh h ASP 86 Cb 1.96 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 41.29 2dbh h ASP 86 CO 0.07 1.37 0.55 -1.28 -3.12 0.00 0.00 179.24 176.84 2dbh h SER 87 N 0.07 0.89 -0.11 6.45 0.87 0.04 0.39 113.55 122.14 2dbh h SER 87 Ca -0.17 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 2dbh h SER 87 Cb 1.98 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 63.73 2dbh h SER 87 CO 0.19 0.59 -0.05 0.58 -0.53 0.00 0.00 176.83 177.60 2dbh h VAL 88 N 1.03 0.82 0.00 2.23 2.07 -1.70 0.55 116.25 121.26 2dbh h VAL 88 Ca 0.37 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.76 2dbh h VAL 88 Cb 0.10 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2dbh h VAL 88 CO -0.15 0.00 -0.62 1.88 0.02 0.00 0.00 177.57 178.70 2dbh h TYR 89 N -0.04 0.00 -0.18 1.57 0.05 -1.58 0.99 116.97 117.78 2dbh h TYR 89 Ca 0.06 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.64 2dbh h TYR 89 Cb 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 2dbh h TYR 89 CO -0.18 0.62 -0.69 0.77 -1.05 0.00 0.00 178.16 177.63 2dbh h SER 90 N 0.00 0.84 0.58 3.88 0.02 0.33 -3.27 113.55 115.93 2dbh h SER 90 Ca -0.01 -0.51 -0.28 0.00 -0.84 0.00 0.00 61.79 60.15 2dbh h SER 90 Cb 1.15 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2dbh h SER 90 CO 0.08 1.29 -1.42 0.45 -1.14 0.00 0.00 176.83 176.10 2dbh h HIS 91 N 0.52 0.33 -3.60 3.45 3.86 0.12 -3.41 115.15 116.42 2dbh h HIS 91 Ca -0.03 -0.24 -0.73 0.00 -1.16 0.00 0.00 60.37 58.21 2dbh h HIS 91 Cb 1.29 -0.01 -0.32 0.00 1.06 0.00 0.00 27.41 29.43 2dbh h HIS 91 CO 0.07 1.26 -0.15 -0.51 0.86 0.00 0.00 177.93 179.46 2dbh s LEU 92 N -6.86 5.78 0.06 2.43 1.43 0.34 -4.90 118.68 116.96 2dbh s LEU 92 Ca -0.06 -2.98 0.16 0.00 -1.03 0.00 0.00 54.13 50.22 2dbh s LEU 92 Cb 0.08 -1.98 0.67 0.00 0.03 0.00 0.00 46.19 44.98 2dbh s LEU 92 CO 0.85 -0.40 1.50 -0.81 0.23 0.00 0.00 176.35 177.72 2dbh n PRO 93 N 3.41 0.04 0.10 1.29 -0.04 -1.25 -2.43 135.00 136.12 2dbh n PRO 93 Ca 0.12 0.30 -0.03 0.00 -0.04 0.00 0.00 63.50 63.86 2dbh n PRO 93 Cb 0.40 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 2dbh n PRO 93 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2dbh h ASP 94 N 0.00 0.00 -0.58 3.54 3.58 -1.90 -3.25 116.42 117.80 2dbh h ASP 94 Ca 0.00 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.49 2dbh h ASP 94 Cb 0.26 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 2dbh h ASP 94 CO 0.00 0.79 0.39 -0.07 -2.88 0.00 0.00 179.24 177.46 2dbh h LEU 95 N 0.00 0.56 -8.37 2.28 3.38 -1.83 -3.42 115.31 107.90 2dbh h LEU 95 Ca -0.01 -0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.55 2dbh h LEU 95 Cb 1.55 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.95 2dbh h LEU 95 CO 0.10 0.38 -0.78 -0.76 0.09 0.00 0.00 178.44 177.48 2dbh s LEU 96 N -9.58 2.25 0.73 1.67 1.43 -1.23 -5.14 118.68 108.82 2dbh s LEU 96 Ca -0.09 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 2dbh s LEU 96 Cb 0.18 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.94 2dbh s LEU 96 CO 0.75 -0.06 1.23 -0.55 0.23 0.00 0.00 176.35 177.95 2dbh s SER 97 N -1.60 4.11 0.00 2.29 0.15 -1.26 -4.70 113.70 112.68 2dbh s SER 97 Ca -0.02 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.06 2dbh s SER 97 Cb -0.09 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2dbh s SER 97 CO 0.02 -2.33 0.00 0.61 1.20 0.00 0.00 173.24 172.74 2dbh n GLY 98 N 0.55 0.77 3.56 9.45 0.00 -1.26 -5.02 105.19 113.23 2dbh n GLY 98 Ca 0.14 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 2dbh n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbh s PRO 99 N -1.47 2.73 -0.38 1.61 0.04 -1.26 -4.89 135.00 131.38 2dbh s PRO 99 Ca 0.00 0.69 0.03 0.00 0.04 0.00 0.00 61.00 61.76 2dbh s PRO 99 Cb 0.00 -4.36 0.16 0.00 0.04 0.00 0.00 34.50 30.34 2dbh s PRO 99 CO 0.00 -2.61 0.38 0.45 0.04 0.00 0.00 177.00 175.26 2dbh s SER 100 N 7.72 1.18 -0.13 6.66 0.15 -1.26 -5.12 113.70 122.90 2dbh s SER 100 Ca 0.68 -1.75 0.01 0.00 0.70 0.00 0.00 55.95 55.59 2dbh s SER 100 Cb -0.13 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 2dbh s SER 100 CO 0.22 -0.24 -0.15 -0.55 1.20 0.00 0.00 173.24 173.72 2dbh s SER 101 N 1.27 2.54 0.00 5.45 0.15 -1.26 -5.09 113.70 116.77 2dbh s SER 101 Ca 0.19 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2dbh s SER 101 Cb -0.14 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 2dbh s SER 101 CO -0.03 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.00