#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 -0.59 -0.36 1.61 0.15 -1.26 -5.04 113.70 108.21 2dbh s SER 2 Ca 0.00 1.05 -0.08 0.00 0.70 0.00 0.00 55.95 57.62 2dbh s SER 2 Cb 0.00 1.05 0.01 0.00 -1.71 0.00 0.00 66.02 65.37 2dbh s SER 2 CO 0.00 -0.28 0.29 -1.20 1.20 0.00 0.00 173.24 173.25 2dbh n SER 3 N 2.40 -7.89 -4.82 5.45 7.64 -1.26 -5.03 113.62 110.12 2dbh n SER 3 Ca -0.15 0.98 -0.23 0.00 1.01 0.00 0.00 58.87 60.49 2dbh n SER 3 Cb 0.56 -5.29 0.08 0.00 -1.01 0.00 0.00 64.21 58.54 2dbh n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dbh s GLY 4 N -2.08 1.78 -0.33 0.23 0.00 -1.26 -5.06 107.32 100.60 2dbh s GLY 4 Ca 0.12 -1.55 -0.18 0.00 0.00 0.00 0.00 44.72 43.11 2dbh s GLY 4 CO 0.76 -1.11 0.51 -0.45 0.00 0.00 0.00 173.10 172.82 2dbh s SER 5 N -4.60 6.34 -0.45 1.64 0.15 -1.26 -4.94 113.70 110.58 2dbh s SER 5 Ca 0.62 0.12 0.04 0.00 0.70 0.00 0.00 55.95 57.43 2dbh s SER 5 Cb -0.08 -2.27 0.49 0.00 -1.71 0.00 0.00 66.02 62.46 2dbh s SER 5 CO 0.42 -0.43 1.65 -1.20 1.20 0.00 0.00 173.24 174.88 2dbh n SER 6 N 5.69 5.18 0.00 5.45 7.64 -1.26 -4.93 113.62 131.39 2dbh n SER 6 Ca -0.05 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.07 2dbh n SER 6 Cb 0.49 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2dbh n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbh n GLY 7 N -0.94 1.24 0.00 0.23 0.00 -1.26 -5.17 105.19 99.29 2dbh n GLY 7 Ca 0.50 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.87 2dbh n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbh n SER 8 N 0.00 0.00 -2.59 1.61 2.88 -1.26 -4.92 113.62 109.33 2dbh n SER 8 Ca 0.00 -0.83 -0.03 0.00 -1.33 0.00 0.00 58.87 56.68 2dbh n SER 8 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2dbh n SER 8 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dbh n SER 9 N -2.50 -3.87 -1.59 -3.46 2.88 -1.26 -4.96 113.62 98.87 2dbh n SER 9 Ca 0.00 1.32 0.02 0.00 -1.33 0.00 0.00 58.87 58.88 2dbh n SER 9 Cb 0.00 -5.10 0.01 0.00 -0.75 0.00 0.00 64.21 58.38 2dbh n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dbh n ALA 10 N 1.17 2.58 -3.95 -1.46 0.00 -1.26 -4.94 120.51 112.65 2dbh n ALA 10 Ca -0.21 -2.14 -0.31 0.00 0.00 0.00 0.00 53.44 50.78 2dbh n ALA 10 Cb 0.33 -0.70 -0.15 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.46 4.20 0.00 0.00 1.02 -1.26 -2.58 118.68 119.60 2dbh s LEU 11 Ca 0.28 -2.29 0.00 0.00 0.02 0.00 0.00 54.13 52.15 2dbh s LEU 11 Cb 0.33 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 45.05 2dbh s LEU 11 CO -0.13 -0.35 0.00 -1.20 0.02 0.00 0.00 176.35 174.69 2dbh n SER 12 N 4.06 0.00 0.00 2.29 7.64 -1.26 -5.05 113.62 121.31 2dbh n SER 12 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2dbh n SER 12 Cb 0.40 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2dbh n SER 12 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2dbh n ARG 13 N -2.25 0.00 -3.35 1.43 3.00 -1.26 -5.06 116.66 109.17 2dbh n ARG 13 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2dbh n ARG 13 Cb 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 32.46 32.34 2dbh n ARG 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2dbh s ASN 14 N -3.32 0.92 0.00 6.15 -0.87 -1.26 -4.97 114.94 111.58 2dbh s ASN 14 Ca 0.00 -1.26 0.00 0.00 -1.57 0.00 0.00 52.86 50.03 2dbh s ASN 14 Cb 0.00 0.74 0.00 0.00 -0.02 0.00 0.00 41.25 41.97 2dbh s ASN 14 CO 0.00 -0.28 0.00 0.61 -2.57 0.00 0.00 177.10 174.86 2dbh n GLY 15 N 4.54 -0.10 0.79 0.66 0.00 -1.23 -5.01 105.19 104.83 2dbh n GLY 15 Ca 0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 2dbh n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbh n SER 16 N -1.94 -1.54 -0.04 1.61 2.88 -1.06 -4.97 113.62 108.56 2dbh n SER 16 Ca 0.00 -0.55 -0.06 0.00 -1.33 0.00 0.00 58.87 56.93 2dbh n SER 16 Cb 0.00 -0.23 -0.02 0.00 -0.75 0.00 0.00 64.21 63.21 2dbh n SER 16 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2dbh n PHE 17 N -3.18 0.00 -4.76 0.66 3.72 -1.25 -5.01 117.46 107.64 2dbh n PHE 17 Ca 0.03 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.10 2dbh n PHE 17 Cb 0.14 -0.32 -0.14 0.00 -0.94 0.00 0.00 39.48 38.21 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 -2.59 3.12 0.62 4.37 1.01 -1.21 -5.03 121.20 121.48 2dbh s ILE 18 Ca -0.19 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.84 2dbh s ILE 18 Cb 0.03 -2.31 0.12 0.00 0.01 0.00 0.00 42.46 40.31 2dbh s ILE 18 CO 0.28 0.53 0.85 0.35 0.00 0.00 0.00 174.94 176.94 2dbh n THR 19 N 3.45 0.00 0.07 2.92 -2.24 -1.26 -4.94 114.28 112.28 2dbh n THR 19 Ca -0.18 -1.50 -0.18 0.00 -2.27 0.00 0.00 64.05 59.92 2dbh n THR 19 Cb 0.53 -0.84 -0.14 0.00 -2.10 0.00 0.00 70.33 67.77 2dbh n THR 19 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2dbh h LYS 20 N 0.00 0.29 -0.09 -0.78 1.63 -2.00 -3.28 116.57 112.34 2dbh h LYS 20 Ca -0.28 -0.49 -0.01 0.00 -0.85 0.00 0.00 60.65 59.02 2dbh h LYS 20 Cb 1.10 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.91 2dbh h LYS 20 CO 0.33 1.16 0.02 1.49 -3.45 0.00 0.00 179.45 178.99 2dbh h GLU 21 N 0.08 0.12 -0.11 1.90 4.22 -2.00 -2.38 114.58 116.41 2dbh h GLU 21 Ca -0.26 -0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.09 2dbh h GLU 21 Cb 2.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2dbh h GLU 21 CO 0.17 0.12 -0.24 -0.22 -2.18 0.00 0.00 179.01 176.66 2dbh h LYS 22 N 0.13 0.35 -0.15 1.92 3.64 -1.98 -3.00 116.57 117.48 2dbh h LYS 22 Ca 0.03 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.19 2dbh h LYS 22 Cb 0.06 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2dbh h LYS 22 CO -0.00 0.84 0.10 0.87 -2.27 0.00 0.00 179.45 178.99 2dbh h LYS 23 N -0.09 0.14 0.00 1.90 1.57 -1.51 -0.70 116.57 117.88 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 0.84 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 2dbh h LYS 23 CO 0.05 0.09 -0.56 0.22 -0.57 0.00 0.00 179.45 178.69 2dbh h ASP 24 N 0.15 0.00 0.88 0.86 3.58 -1.39 -2.87 116.42 117.63 2dbh h ASP 24 Ca 0.06 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.28 2dbh h ASP 24 Cb 0.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2dbh h ASP 24 CO -0.01 0.56 -1.09 0.74 -2.88 0.00 0.00 179.24 176.56 2dbh h THR 25 N 0.00 1.64 0.52 2.25 2.02 -1.03 -2.98 112.91 115.33 2dbh h THR 25 Ca -0.01 -3.31 -0.03 0.00 0.77 0.00 0.00 66.41 63.84 2dbh h THR 25 Cb 1.02 2.87 0.01 0.00 -1.74 0.00 0.00 68.15 70.30 2dbh h THR 25 CO 0.07 0.95 -0.25 0.58 0.37 0.00 0.00 175.52 177.24 2dbh h VAL 26 N 0.02 0.30 0.00 3.16 2.07 -1.22 -3.08 116.25 117.50 2dbh h VAL 26 Ca -0.05 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2dbh h VAL 26 Cb 1.83 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2dbh h VAL 26 CO 0.15 0.05 -0.06 -0.07 0.02 0.00 0.00 177.57 177.66 2dbh h LEU 27 N -1.03 0.00 -0.87 2.57 3.38 -1.65 -2.44 115.31 115.27 2dbh h LEU 27 Ca -0.07 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2dbh h LEU 27 Cb 0.62 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 2dbh h LEU 27 CO 0.12 0.06 0.54 -0.09 0.09 0.00 0.00 178.44 179.16 2dbh h ARG 28 N 0.00 0.95 -0.01 1.13 2.43 -1.43 0.12 114.38 117.56 2dbh h ARG 28 Ca -0.00 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 2dbh h ARG 28 Cb 0.14 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2dbh h ARG 28 CO 0.01 0.63 -0.47 1.96 -1.51 0.00 0.00 179.97 180.58 2dbh h GLN 29 N 0.98 0.03 -0.02 0.20 4.20 -1.43 -2.82 115.11 116.26 2dbh h GLN 29 Ca 0.38 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.98 2dbh h GLN 29 Cb 0.18 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.97 2dbh h GLN 29 CO -0.18 0.50 -0.37 0.28 -0.67 0.00 0.00 178.83 178.39 2dbh h VAL 30 N 0.03 1.48 -0.06 -0.54 2.07 -1.23 -2.69 116.25 115.30 2dbh h VAL 30 Ca -0.00 -1.93 0.02 0.00 0.82 0.00 0.00 66.70 65.61 2dbh h VAL 30 Cb 0.85 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 33.22 2dbh h VAL 30 CO 0.06 0.54 0.05 0.03 0.02 0.00 0.00 177.57 178.27 2dbh h ARG 31 N -0.30 0.00 0.08 1.57 3.08 -0.80 -1.40 114.38 116.61 2dbh h ARG 31 Ca -0.04 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.76 2dbh h ARG 31 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 2dbh h ARG 31 CO 0.07 0.00 -1.12 -0.07 -1.07 0.00 0.00 179.97 177.79 2dbh h LEU 32 N 0.00 0.36 -6.48 3.04 3.38 -1.51 -3.42 115.31 110.69 2dbh h LEU 32 Ca 0.03 -0.36 -0.47 0.00 0.09 0.00 0.00 57.88 57.17 2dbh h LEU 32 Cb 0.12 -0.12 -0.35 0.00 0.09 0.00 0.00 40.66 40.41 2dbh h LEU 32 CO -0.00 1.24 -0.76 -1.81 0.09 0.00 0.00 178.44 177.20 2dbh s ASP 33 N -7.06 2.09 -0.06 -0.43 1.01 -0.59 -5.12 116.67 106.52 2dbh s ASP 33 Ca -0.03 -1.79 -0.35 0.00 0.71 0.00 0.00 52.55 51.08 2dbh s ASP 33 Cb 0.08 0.10 -0.13 0.00 1.01 0.00 0.00 42.92 43.98 2dbh s ASP 33 CO 0.87 -0.30 1.80 -2.65 0.21 0.00 0.00 175.17 175.10 2dbh n PRO 34 N 4.25 2.02 -4.16 8.23 -0.02 -0.83 -4.60 135.00 139.90 2dbh n PRO 34 Ca 0.10 0.74 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 2dbh n PRO 34 Cb 0.41 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.25 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 -3.05 6.89 -0.43 0.00 1.11 -1.26 -4.90 116.67 115.02 2dbh s ASP 36 Ca 0.20 1.78 0.04 0.00 0.18 0.00 0.00 52.55 54.75 2dbh s ASP 36 Cb 0.07 -2.54 0.65 0.00 1.07 0.00 0.00 42.92 42.17 2dbh s ASP 36 CO -0.01 -0.80 1.88 0.18 1.18 0.00 0.00 175.17 177.61 2dbh n LEU 37 N 6.73 6.61 0.39 1.23 4.77 -1.26 -4.62 117.00 130.85 2dbh n LEU 37 Ca 0.15 -3.53 -0.17 0.00 -0.03 0.00 0.00 56.01 52.42 2dbh n LEU 37 Cb 0.44 -0.83 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 2dbh n LEU 37 CO 0.57 1.03 0.52 -0.61 -1.33 0.00 0.00 177.39 177.57 2dbh h GLN 38 N 0.97 -0.95 -0.04 3.23 5.75 -2.00 -2.82 115.11 119.25 2dbh h GLN 38 Ca 0.61 0.06 0.01 0.00 -0.15 0.00 0.00 58.65 59.19 2dbh h GLN 38 Cb 2.81 0.22 -0.00 0.00 1.07 0.00 0.00 27.48 31.57 2dbh h GLN 38 CO 1.07 -0.61 0.18 -1.00 -2.65 0.00 0.00 178.83 175.81 2dbh h PRO 39 N -1.12 0.00 0.00 -2.39 0.13 -1.97 0.35 132.00 127.00 2dbh h PRO 39 Ca -0.10 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.95 2dbh h PRO 39 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2dbh h PRO 39 CO 0.17 0.00 -0.38 0.82 -0.23 0.00 0.00 178.00 178.37 2dbh h ILE 40 N 0.00 0.91 0.00 -3.56 1.08 -1.81 -3.03 117.51 111.09 2dbh h ILE 40 Ca 0.02 -1.54 -0.25 0.00 -0.39 0.00 0.00 64.86 62.69 2dbh h ILE 40 Cb 0.37 1.94 -0.05 0.00 -3.07 0.00 0.00 36.82 36.01 2dbh h ILE 40 CO -0.00 0.38 -1.96 0.49 -0.69 0.00 0.00 178.15 176.37 2dbh n PHE 41 N -3.54 0.00 0.21 1.37 3.72 0.20 -3.77 117.46 115.65 2dbh n PHE 41 Ca -0.00 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 2dbh n PHE 41 Cb 0.51 -0.66 0.76 0.00 -0.94 0.00 0.00 39.48 39.15 2dbh n PHE 41 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2dbh h ASP 42 N 0.00 0.00 0.19 4.37 5.19 -0.53 0.65 116.42 126.29 2dbh h ASP 42 Ca -0.38 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.69 2dbh h ASP 42 Cb 1.68 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 41.13 2dbh h ASP 42 CO -0.03 0.00 -2.13 -0.67 -3.12 0.00 0.00 179.24 173.29 2dbh n ASP 43 N -4.15 0.42 0.15 6.45 2.03 -1.15 -4.21 116.55 116.09 2dbh n ASP 43 Ca 0.01 0.16 0.12 0.00 0.52 0.00 0.00 54.79 55.60 2dbh n ASP 43 Cb 0.25 0.53 0.23 0.00 -0.72 0.00 0.00 41.12 41.41 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 -0.48 -0.67 2.86 -1.47 -3.33 114.93 111.84 2dbh h MET 44 Ca -0.45 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.27 2dbh h MET 44 Cb 2.15 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.74 2dbh h MET 44 CO 0.05 0.00 0.12 -0.07 1.06 0.00 0.00 176.91 178.06 2dbh h LEU 45 N 0.00 0.05 -1.91 1.22 3.38 0.12 -0.12 115.31 118.05 2dbh h LEU 45 Ca 0.00 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2dbh h LEU 45 Cb 0.88 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2dbh h LEU 45 CO 0.00 0.06 0.14 0.45 0.09 0.00 0.00 178.44 179.18 2dbh h HIS 46 N 0.26 0.12 -0.00 1.13 3.86 -1.81 -0.79 115.15 117.92 2dbh h HIS 46 Ca 0.24 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.29 2dbh h HIS 46 Cb 0.30 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 2dbh h HIS 46 CO -0.21 0.07 -0.77 0.74 0.86 0.00 0.00 177.93 178.63 2dbh h PHE 47 N 0.12 0.01 -3.48 2.45 -1.00 -1.25 -3.45 116.94 110.34 2dbh h PHE 47 Ca 0.09 -0.00 -0.47 0.00 2.81 0.00 0.00 57.97 60.39 2dbh h PHE 47 Cb 0.21 -0.00 0.05 0.00 3.61 0.00 0.00 35.95 39.82 2dbh h PHE 47 CO -0.00 0.77 0.12 -0.51 -1.61 0.00 0.00 178.31 177.08 2dbh s LEU 48 N -7.28 3.31 0.29 1.54 1.43 -0.30 -5.11 118.68 112.57 2dbh s LEU 48 Ca -0.01 0.63 0.08 0.00 -1.03 0.00 0.00 54.13 53.80 2dbh s LEU 48 Cb 0.12 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 2dbh s LEU 48 CO 0.79 -1.00 0.19 0.20 0.23 0.00 0.00 176.35 176.76 2dbh s ASN 49 N -4.29 5.23 0.28 2.29 -0.87 -1.26 -4.92 114.94 111.40 2dbh s ASN 49 Ca 0.53 -0.43 0.02 0.00 -1.57 0.00 0.00 52.86 51.41 2dbh s ASN 49 Cb -0.10 -1.12 0.64 0.00 -0.02 0.00 0.00 41.25 40.64 2dbh s ASN 49 CO 0.44 -0.16 1.76 -0.65 -2.57 0.00 0.00 177.10 175.92 2dbh h PRO 50 N 1.47 0.65 -0.14 -0.60 0.11 -1.98 0.73 132.00 132.25 2dbh h PRO 50 Ca -0.46 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 2dbh h PRO 50 Cb 1.25 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2dbh h PRO 50 CO 0.60 0.43 -0.22 0.93 -0.21 0.00 0.00 178.00 179.53 2dbh h GLU 51 N 0.67 0.39 -0.19 1.05 4.39 -2.00 -2.36 114.58 116.53 2dbh h GLU 51 Ca 0.52 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.90 2dbh h GLU 51 Cb 0.79 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 2dbh h GLU 51 CO -0.39 0.82 -0.26 0.93 -1.16 0.00 0.00 179.01 178.96 2dbh h GLU 52 N -0.01 0.35 0.00 2.33 5.08 -1.72 -2.64 114.58 117.97 2dbh h GLU 52 Ca 0.01 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 2dbh h GLU 52 Cb 0.79 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2dbh h GLU 52 CO 0.05 0.58 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.05 2dbh h LEU 53 N 0.31 0.00 -1.76 1.33 3.38 0.47 -2.94 115.31 116.11 2dbh h LEU 53 Ca 0.05 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2dbh h LEU 53 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2dbh h LEU 53 CO 0.04 0.52 0.24 -0.09 0.09 0.00 0.00 178.44 179.24 2dbh h ARG 54 N 0.00 0.31 -0.02 1.13 2.43 -1.03 0.56 114.38 117.75 2dbh h ARG 54 Ca -0.01 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 2dbh h ARG 54 Cb 0.93 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2dbh h ARG 54 CO 0.07 0.20 -0.67 0.28 -1.51 0.00 0.00 179.97 178.34 2dbh h VAL 55 N 0.32 1.45 0.02 0.20 2.07 -1.58 -2.70 116.25 116.02 2dbh h VAL 55 Ca 0.15 -2.22 -0.28 0.00 0.82 0.00 0.00 66.70 65.17 2dbh h VAL 55 Cb 0.20 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 2dbh h VAL 55 CO -0.03 0.64 -1.53 0.40 0.02 0.00 0.00 177.57 177.07 2dbh h ILE 56 N 0.08 1.09 -0.04 4.57 2.04 -1.23 -3.34 117.51 120.68 2dbh h ILE 56 Ca -0.01 -2.87 -0.09 0.00 1.00 0.00 0.00 64.86 62.88 2dbh h ILE 56 Cb 1.19 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.83 2dbh h ILE 56 CO 0.10 0.67 -0.41 -0.33 0.00 0.00 0.00 178.15 178.18 2dbh h GLU 57 N 0.01 0.09 -0.74 2.37 5.08 0.06 -2.92 114.58 118.53 2dbh h GLU 57 Ca -0.22 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 2dbh h GLU 57 Cb 1.96 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.17 2dbh h GLU 57 CO 0.10 0.49 0.32 0.93 -1.00 0.00 0.00 179.01 179.85 2dbh h GLU 58 N 0.08 1.09 -6.40 2.33 5.08 -1.59 -3.40 114.58 111.76 2dbh h GLU 58 Ca 0.01 -0.18 -0.57 0.00 -1.00 0.00 0.00 59.36 57.62 2dbh h GLU 58 Cb 0.76 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2dbh h GLU 58 CO 0.06 0.87 1.10 0.42 -1.00 0.00 0.00 179.01 180.46 2dbh s ILE 59 N -5.54 3.83 0.07 3.13 1.01 -1.10 -4.90 121.20 117.70 2dbh s ILE 59 Ca -0.12 0.89 -0.16 0.00 0.00 0.00 0.00 60.65 61.27 2dbh s ILE 59 Cb 0.16 -4.00 -0.17 0.00 0.01 0.00 0.00 42.46 38.47 2dbh s ILE 59 CO 0.82 -0.55 1.27 1.55 0.00 0.00 0.00 174.94 178.03 2dbh h PRO 60 N 10.81 0.65 -6.97 2.79 0.13 -1.85 -3.45 132.00 134.11 2dbh h PRO 60 Ca -0.30 -0.52 -0.55 0.00 -0.87 0.00 0.00 66.00 63.76 2dbh h PRO 60 Cb 1.12 0.11 0.13 0.00 0.13 0.00 0.00 31.00 32.49 2dbh h PRO 60 CO 1.05 1.14 0.62 1.04 -0.23 0.00 0.00 178.00 181.62 2dbh n GLN 61 N -4.11 1.99 0.03 0.86 3.00 -1.26 -4.95 117.38 112.94 2dbh n GLN 61 Ca -0.08 0.72 -0.21 0.00 -0.01 0.00 0.00 57.00 57.42 2dbh n GLN 61 Cb 0.66 -2.56 -0.14 0.00 0.00 0.00 0.00 30.24 28.19 2dbh n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2dbh h ALA 62 N 1.94 0.04 -0.33 -1.58 0.00 -1.99 -2.26 119.26 115.09 2dbh h ALA 62 Ca -0.50 -0.89 0.01 0.00 0.00 0.00 0.00 54.91 53.53 2dbh h ALA 62 Cb 1.29 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2dbh h ALA 62 CO 0.59 0.59 0.22 1.49 0.00 0.00 0.00 179.25 182.15 2dbh h GLU 63 N -0.36 0.39 0.00 0.00 4.81 -1.98 -1.82 114.58 115.63 2dbh h GLU 63 Ca -0.22 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 58.77 2dbh h GLU 63 Cb 1.69 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.95 2dbh h GLU 63 CO 0.10 0.26 -1.28 0.22 -0.73 0.00 0.00 179.01 177.58 2dbh h ASP 64 N 0.40 0.00 -0.46 1.04 1.82 -1.97 -3.34 116.42 113.91 2dbh h ASP 64 Ca 0.13 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.80 2dbh h ASP 64 Cb 0.02 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 39.99 2dbh h ASP 64 CO -0.03 0.82 0.24 0.50 -1.61 0.00 0.00 179.24 179.15 2dbh h LYS 65 N 0.00 0.46 -0.13 0.28 3.64 -0.70 -1.60 116.57 118.52 2dbh h LYS 65 Ca -0.14 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 2dbh h LYS 65 Cb 1.75 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.46 2dbh h LYS 65 CO 0.08 0.30 -0.07 1.25 -2.27 0.00 0.00 179.45 178.75 2dbh h LEU 66 N 0.47 0.17 -1.80 5.20 5.85 -1.64 -1.87 115.31 121.69 2dbh h LEU 66 Ca 0.20 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2dbh h LEU 66 Cb 0.09 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2dbh h LEU 66 CO -0.13 0.27 -0.07 -0.78 -0.34 0.00 0.00 178.44 177.38 2dbh h ASP 67 N 0.18 0.03 0.80 1.25 3.58 -1.41 -2.08 116.42 118.76 2dbh h ASP 67 Ca 0.04 -0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.24 2dbh h ASP 67 Cb 0.24 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2dbh h ASP 67 CO 0.01 0.11 -1.15 -0.09 -2.88 0.00 0.00 179.24 175.24 2dbh h ARG 68 N 0.03 0.13 -0.50 0.28 9.65 -1.19 -3.13 114.38 119.65 2dbh h ARG 68 Ca 0.01 -0.23 0.01 0.00 -1.10 0.00 0.00 59.98 58.67 2dbh h ARG 68 Cb 0.15 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 2dbh h ARG 68 CO 0.01 1.09 0.32 1.25 2.80 0.00 0.00 179.97 185.45 2dbh h LEU 69 N 0.04 0.55 -0.99 3.80 5.85 -1.15 -1.75 115.31 121.65 2dbh h LEU 69 Ca -0.08 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 2dbh h LEU 69 Cb 1.88 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 2dbh h LEU 69 CO 0.16 0.39 -0.50 -0.26 -0.34 0.00 0.00 178.44 177.90 2dbh h PHE 70 N 0.65 0.00 0.15 1.25 -1.00 -1.60 -0.85 116.94 115.54 2dbh h PHE 70 Ca 0.19 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.96 2dbh h PHE 70 Cb -0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.51 2dbh h PHE 70 CO -0.05 0.50 -0.07 1.49 -1.61 0.00 0.00 178.31 178.57 2dbh h GLU 71 N 0.00 -0.19 0.19 1.51 4.22 -1.34 0.76 114.58 119.73 2dbh h GLU 71 Ca -0.01 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 2dbh h GLU 71 Cb 0.90 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2dbh h GLU 71 CO 0.07 0.08 -0.09 0.82 -2.18 0.00 0.00 179.01 177.70 2dbh h ILE 72 N -0.45 0.78 0.00 2.32 2.04 -1.34 -3.25 117.51 117.60 2dbh h ILE 72 Ca -0.02 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 2dbh h ILE 72 Cb 0.36 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2dbh h ILE 72 CO 0.03 0.20 -0.17 0.40 0.00 0.00 0.00 178.15 178.61 2dbh h ILE 73 N -0.86 0.62 -0.15 -0.67 2.04 -1.26 -2.70 117.51 114.53 2dbh h ILE 73 Ca -0.03 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.14 2dbh h ILE 73 Cb 0.51 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2dbh h ILE 73 CO 0.04 0.16 0.16 1.23 0.00 0.00 0.00 178.15 179.74 2dbh h GLY 74 N 1.15 0.00 -3.00 5.37 0.00 0.53 -1.87 103.07 105.25 2dbh h GLY 74 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2dbh h GLY 74 CO 0.02 0.00 -0.75 3.33 0.00 0.00 0.00 176.54 179.14 2dbh n VAL 75 N -3.87 2.26 0.00 4.60 0.24 -1.02 -3.35 118.33 117.20 2dbh n VAL 75 Ca 0.01 -3.73 0.00 0.00 -2.04 0.00 0.00 64.34 58.58 2dbh n VAL 75 Cb 0.27 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 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 -0.79 0.00 -3.62 7.34 4.81 -0.70 -5.08 118.16 120.12 2dbh n LYS 76 Ca 0.33 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.72 2dbh n LYS 76 Cb 0.88 -0.22 0.02 0.00 0.02 0.00 0.00 35.03 35.73 2dbh n LYS 76 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dbh n SER 77 N -1.96 -1.77 0.07 3.14 2.88 -1.26 -5.04 113.62 109.68 2dbh n SER 77 Ca 0.00 -2.05 -0.06 0.00 -1.33 0.00 0.00 58.87 55.43 2dbh n SER 77 Cb 0.00 2.91 -0.10 0.00 -0.75 0.00 0.00 64.21 66.27 2dbh n SER 77 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2dbh h GLN 78 N 0.00 0.00 -0.00 -1.46 4.20 -1.97 -1.10 115.11 114.77 2dbh h GLN 78 Ca -0.27 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.35 2dbh h GLN 78 Cb 1.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 2dbh h GLN 78 CO 0.35 0.93 -0.40 1.05 -0.67 0.00 0.00 178.83 180.09 2dbh h GLU 79 N 0.00 0.01 0.07 1.46 4.11 -1.99 -1.38 114.58 116.85 2dbh h GLU 79 Ca -0.01 -0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.05 2dbh h GLU 79 Cb 1.72 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.93 2dbh h GLU 79 CO 0.12 0.41 -2.16 0.00 0.07 0.00 0.00 179.01 177.45 2dbh n ALA 80 N -2.46 1.16 -0.18 1.06 0.00 -1.23 -3.72 120.51 115.13 2dbh n ALA 80 Ca -0.02 -0.82 -0.08 0.00 0.00 0.00 0.00 53.44 52.52 2dbh n ALA 80 Cb 0.43 -0.47 0.01 0.00 0.00 0.00 0.00 19.45 19.43 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 0.04 0.72 -0.53 0.00 0.87 -1.20 0.51 113.55 113.95 2dbh h SER 81 Ca -0.47 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 59.84 2dbh h SER 81 Cb 2.00 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.75 2dbh h SER 81 CO 0.02 0.70 0.09 -0.61 -0.53 0.00 0.00 176.83 176.50 2dbh h GLN 82 N 0.70 0.93 -0.02 2.24 5.75 -1.45 -2.63 115.11 120.64 2dbh h GLN 82 Ca 0.17 -0.23 -0.15 0.00 -0.15 0.00 0.00 58.65 58.29 2dbh h GLN 82 Cb 0.21 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2dbh h GLN 82 CO -0.01 0.87 -0.67 1.15 -2.65 0.00 0.00 178.83 177.51 2dbh h THR 83 N 0.88 1.46 0.00 2.39 2.02 -1.58 -1.67 112.91 116.41 2dbh h THR 83 Ca 0.18 -2.24 -0.06 0.00 0.77 0.00 0.00 66.41 65.06 2dbh h THR 83 Cb 0.39 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2dbh h THR 83 CO 0.01 0.65 -0.27 0.25 0.37 0.00 0.00 175.52 176.53 2dbh h LEU 84 N 0.06 0.00 0.01 2.58 5.85 -0.54 0.84 115.31 124.11 2dbh h LEU 84 Ca -0.01 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.40 2dbh h LEU 84 Cb 1.20 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 2dbh h LEU 84 CO 0.09 0.27 -1.80 0.18 -0.34 0.00 0.00 178.44 176.84 2dbh n LEU 85 N -4.13 0.95 0.05 2.25 4.77 -1.08 -3.95 117.00 115.87 2dbh n LEU 85 Ca -0.02 0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 2dbh n LEU 85 Cb 0.32 0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 2dbh n LEU 85 CO 0.37 0.44 -0.20 -0.78 -1.33 0.00 0.00 177.39 175.89 2dbh h ASP 86 N 0.01 0.19 0.17 -1.43 1.82 -1.10 -3.29 116.42 112.79 2dbh h ASP 86 Ca -0.32 -0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 56.03 2dbh h ASP 86 Cb 2.04 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.98 2dbh h ASP 86 CO 0.07 1.21 -0.16 -1.28 -1.61 0.00 0.00 179.24 177.48 2dbh h SER 87 N 0.03 0.00 0.68 2.28 0.87 0.54 0.88 113.55 118.83 2dbh h SER 87 Ca -0.17 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.21 2dbh h SER 87 Cb 1.93 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.88 2dbh h SER 87 CO 0.14 0.16 -0.85 0.58 -0.53 0.00 0.00 176.83 176.33 2dbh h VAL 88 N 0.00 1.53 0.01 2.23 2.07 -1.68 -2.66 116.25 117.75 2dbh h VAL 88 Ca -0.00 -2.68 -0.31 0.00 0.82 0.00 0.00 66.70 64.53 2dbh h VAL 88 Cb 0.29 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 2dbh h VAL 88 CO 0.02 0.78 -1.82 -1.22 0.02 0.00 0.00 177.57 175.35 2dbh n TYR 89 N -3.62 0.87 0.07 1.57 4.01 -0.84 -2.22 117.16 117.00 2dbh n TYR 89 Ca -0.02 0.31 -0.04 0.00 -0.16 0.00 0.00 57.90 57.98 2dbh n TYR 89 Cb 0.79 -1.16 0.15 0.00 -0.31 0.00 0.00 39.34 38.82 2dbh n TYR 89 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2dbh h SER 90 N 0.00 0.32 0.14 7.72 0.87 0.70 -3.17 113.55 120.13 2dbh h SER 90 Ca -0.33 -0.16 -0.36 0.00 -1.23 0.00 0.00 61.79 59.71 2dbh h SER 90 Cb 2.05 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.89 2dbh h SER 90 CO 0.07 0.78 -2.02 1.41 -0.53 0.00 0.00 176.83 176.54 2dbh n HIS 91 N -3.95 1.13 -3.63 2.24 8.25 -1.00 -4.62 115.22 113.64 2dbh n HIS 91 Ca -0.02 0.25 -0.36 0.00 -0.26 0.00 0.00 57.72 57.33 2dbh n HIS 91 Cb 0.56 -1.15 -0.06 0.00 1.12 0.00 0.00 29.99 30.45 2dbh n HIS 91 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dbh s LEU 92 N -6.92 5.56 0.39 2.41 1.43 -0.94 -4.88 118.68 115.73 2dbh s LEU 92 Ca -0.22 -3.69 0.19 0.00 -1.03 0.00 0.00 54.13 49.38 2dbh s LEU 92 Cb 0.07 -1.91 0.75 0.00 0.03 0.00 0.00 46.19 45.12 2dbh s LEU 92 CO 0.76 -0.19 1.77 1.55 0.23 0.00 0.00 176.35 180.47 2dbh h PRO 93 N 6.07 0.00 -0.26 1.29 0.13 -1.80 -3.03 132.00 134.40 2dbh h PRO 93 Ca 0.15 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.32 2dbh h PRO 93 Cb 0.82 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 2dbh h PRO 93 CO 0.85 0.36 0.18 0.22 -0.23 0.00 0.00 178.00 179.38 2dbh h ASP 94 N 0.00 0.14 -0.31 1.44 3.58 -1.89 -0.94 116.42 118.43 2dbh h ASP 94 Ca -0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2dbh h ASP 94 Cb 0.82 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 2dbh h ASP 94 CO 0.05 0.10 0.20 -0.07 -2.88 0.00 0.00 179.24 176.63 2dbh h LEU 95 N 0.16 0.37 -6.46 2.28 3.38 -1.90 -3.34 115.31 109.80 2dbh h LEU 95 Ca 0.11 -0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.49 2dbh h LEU 95 Cb 0.25 -0.09 -0.38 0.00 0.09 0.00 0.00 40.66 40.52 2dbh h LEU 95 CO -0.02 0.28 -0.90 -0.76 0.09 0.00 0.00 178.44 177.13 2dbh s LEU 96 N -9.38 1.12 -0.42 1.67 1.43 -0.37 -5.07 118.68 107.66 2dbh s LEU 96 Ca -0.08 -2.58 0.03 0.00 -1.03 0.00 0.00 54.13 50.48 2dbh s LEU 96 Cb 0.17 -0.37 0.12 0.00 0.03 0.00 0.00 46.19 46.14 2dbh s LEU 96 CO 0.72 -0.24 0.16 -0.44 0.23 0.00 0.00 176.35 176.77 2dbh s SER 97 N 0.61 4.42 0.00 2.29 0.01 -1.16 -4.91 113.70 114.96 2dbh s SER 97 Ca 0.25 -2.50 0.00 0.00 1.31 0.00 0.00 55.95 55.01 2dbh s SER 97 Cb -0.10 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2dbh s SER 97 CO -0.09 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2dbh n GLY 98 N 3.78 -0.18 3.51 3.44 0.00 -1.26 -4.93 105.19 109.55 2dbh n GLY 98 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.11 0.81 -0.08 1.61 -0.02 -1.26 -4.81 135.00 130.13 2dbh n PRO 99 Ca 0.00 0.09 -0.14 0.00 -2.02 0.00 0.00 63.50 61.44 2dbh n PRO 99 Cb 0.00 -2.67 -0.08 0.00 -0.02 0.00 0.00 33.50 30.73 2dbh n PRO 99 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2dbh h SER 100 N 15.60 0.00 0.00 2.55 0.87 -2.04 -3.46 113.55 127.08 2dbh h SER 100 Ca -0.20 -0.36 -0.09 0.00 -1.23 0.00 0.00 61.79 59.90 2dbh h SER 100 Cb 1.29 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.17 2dbh h SER 100 CO 1.18 1.11 -0.17 -0.24 -0.53 0.00 0.00 176.83 178.18 2dbh n SER 101 N -4.54 -0.79 -0.43 6.23 2.88 -1.26 -5.29 113.62 110.41 2dbh n SER 101 Ca -0.19 -1.55 0.14 0.00 -1.33 0.00 0.00 58.87 55.94 2dbh n SER 101 Cb 0.47 0.33 0.57 0.00 -0.75 0.00 0.00 64.21 64.83 2dbh n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42