#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 0.95 -0.84 1.61 0.01 -1.26 -5.10 113.70 109.07 2dbh s SER 2 Ca 0.00 -0.28 -0.12 0.00 1.31 0.00 0.00 55.95 56.87 2dbh s SER 2 Cb 0.00 -0.06 0.22 0.00 0.21 0.00 0.00 66.02 66.39 2dbh s SER 2 CO 0.00 0.01 0.77 -0.55 0.41 0.00 0.00 173.24 173.87 2dbh s SER 3 N -0.65 6.60 0.00 2.44 0.15 -1.26 -4.60 113.70 116.38 2dbh s SER 3 Ca -0.01 -2.86 0.00 0.00 0.70 0.00 0.00 55.95 53.78 2dbh s SER 3 Cb -0.05 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2dbh s SER 3 CO 0.00 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.56 2dbh n GLY 4 N 3.69 -0.56 3.58 9.45 0.00 -1.26 -5.10 105.19 114.99 2dbh n GLY 4 Ca 0.15 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 6.27 0.00 1.61 0.01 -1.26 -4.25 113.70 116.08 2dbh s SER 5 Ca 0.00 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.62 2dbh s SER 5 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2dbh s SER 5 CO 0.00 -1.58 0.00 -1.20 0.41 0.00 0.00 173.24 170.87 2dbh n SER 6 N 9.09 0.00 0.00 2.44 7.64 -1.26 -5.10 113.62 126.43 2dbh n SER 6 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2dbh n SER 6 Cb 0.49 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.96 1.58 2.85 0.23 0.00 -1.26 -4.99 105.19 102.64 2dbh n GLY 7 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2dbh n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dbh s SER 8 N -1.09 2.66 -0.07 1.61 1.04 -1.26 -5.12 113.70 111.48 2dbh s SER 8 Ca 0.00 -0.60 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 2dbh s SER 8 Cb 0.00 -0.81 0.03 0.00 0.10 0.00 0.00 66.02 65.34 2dbh s SER 8 CO 0.00 -0.20 0.16 -0.44 0.98 0.00 0.00 173.24 173.74 2dbh s SER 9 N 1.71 -0.16 0.06 7.02 0.01 -1.26 -5.13 113.70 115.95 2dbh s SER 9 Ca 0.01 0.33 -0.23 0.00 1.31 0.00 0.00 55.95 57.38 2dbh s SER 9 Cb -0.15 0.29 -0.06 0.00 0.21 0.00 0.00 66.02 66.31 2dbh s SER 9 CO -0.07 -0.09 0.69 0.00 0.41 0.00 0.00 173.24 174.17 2dbh s ALA 10 N 0.54 3.45 -0.17 1.44 0.00 -1.26 -4.67 121.76 121.09 2dbh s ALA 10 Ca -0.04 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 2dbh s ALA 10 Cb -0.05 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.25 2dbh s ALA 10 CO -0.03 0.19 0.24 1.28 0.00 0.00 0.00 175.76 177.44 2dbh n LEU 11 N 2.35 -6.22 -0.09 0.00 4.32 -1.26 -4.91 117.00 111.19 2dbh n LEU 11 Ca -0.06 2.41 -0.12 0.00 -0.02 0.00 0.00 56.01 58.23 2dbh n LEU 11 Cb 0.50 -3.32 -0.04 0.00 -1.62 0.00 0.00 43.42 38.94 2dbh n LEU 11 CO 0.45 -4.01 0.72 0.28 -1.22 0.00 0.00 177.39 173.61 2dbh h SER 12 N 4.16 0.49 0.00 -1.43 0.02 -1.53 -3.46 113.55 111.80 2dbh h SER 12 Ca -0.53 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2dbh h SER 12 Cb 1.20 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2dbh h SER 12 CO 0.01 0.73 0.00 0.54 -1.14 0.00 0.00 176.83 176.97 2dbh n ARG 13 N -4.56 0.00 -1.26 3.45 5.12 -1.26 -4.96 116.66 113.19 2dbh n ARG 13 Ca -0.04 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.91 2dbh n ARG 13 Cb 0.29 0.00 0.10 0.00 -1.16 0.00 0.00 32.46 31.69 2dbh n ARG 13 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2dbh n ASN 14 N -3.17 1.60 0.00 0.55 5.15 -1.26 -5.10 115.26 113.03 2dbh n ASN 14 Ca 0.00 -2.91 0.00 0.00 -0.60 0.00 0.00 54.58 51.07 2dbh n ASN 14 Cb 0.00 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 2dbh n ASN 14 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dbh n GLY 15 N -0.34 0.76 2.05 8.20 0.00 -1.26 -4.77 105.19 109.83 2dbh n GLY 15 Ca 0.14 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 2.72 -0.87 -0.03 1.61 2.88 -1.26 -1.47 113.62 117.20 2dbh n SER 16 Ca 0.00 0.20 -0.13 0.00 -1.33 0.00 0.00 58.87 57.61 2dbh n SER 16 Cb 0.00 1.15 -0.09 0.00 -0.75 0.00 0.00 64.21 64.52 2dbh n SER 16 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2dbh h PHE 17 N 0.00 0.17 -3.15 0.66 0.04 -1.92 -3.46 116.94 109.28 2dbh h PHE 17 Ca 0.00 -0.05 -0.17 0.00 2.80 0.00 0.00 57.97 60.55 2dbh h PHE 17 Cb 0.00 -0.04 -0.26 0.00 2.20 0.00 0.00 35.95 37.85 2dbh h PHE 17 CO 0.00 0.56 -0.45 0.42 -0.60 0.00 0.00 178.31 178.23 2dbh s ILE 18 N -4.40 -0.01 0.37 -0.55 1.01 -1.25 -4.94 121.20 111.43 2dbh s ILE 18 Ca -0.15 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.59 2dbh s ILE 18 Cb 0.03 -0.34 -0.07 0.00 0.01 0.00 0.00 42.46 42.09 2dbh s ILE 18 CO 0.70 0.01 0.01 0.42 0.00 0.00 0.00 174.94 176.08 2dbh s THR 19 N 0.31 1.76 0.43 2.92 -4.23 -1.26 -4.85 115.64 110.73 2dbh s THR 19 Ca -0.02 -2.03 0.13 0.00 -1.18 0.00 0.00 61.69 58.59 2dbh s THR 19 Cb -0.03 -2.85 0.19 0.00 1.34 0.00 0.00 72.50 71.14 2dbh s THR 19 CO -0.01 -0.05 1.99 0.07 -0.54 0.00 0.00 174.62 176.07 2dbh h LYS 20 N 1.94 0.10 0.08 3.99 2.10 -1.99 -2.69 116.57 120.10 2dbh h LYS 20 Ca -0.42 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2dbh h LYS 20 Cb 1.24 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2dbh h LYS 20 CO 0.75 0.23 -0.05 1.49 -2.00 0.00 0.00 179.45 179.88 2dbh h GLU 21 N 0.09 -0.13 -0.49 0.07 4.81 -1.97 -2.46 114.58 114.51 2dbh h GLU 21 Ca 0.02 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2dbh h GLU 21 Cb 0.29 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2dbh h GLU 21 CO 0.02 -0.08 0.15 0.87 -0.73 0.00 0.00 179.01 179.23 2dbh h LYS 22 N -0.13 0.72 -0.08 1.92 1.57 -1.92 -2.06 116.57 116.59 2dbh h LYS 22 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2dbh h LYS 22 Cb 0.11 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2dbh h LYS 22 CO 0.00 0.64 0.05 0.87 -0.57 0.00 0.00 179.45 180.44 2dbh h LYS 23 N 0.71 0.10 0.06 3.15 1.57 -1.14 -2.14 116.57 118.87 2dbh h LYS 23 Ca 0.16 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.66 2dbh h LYS 23 Cb 0.22 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.53 2dbh h LYS 23 CO -0.01 0.06 -1.14 0.22 -0.57 0.00 0.00 179.45 178.02 2dbh h ASP 24 N 0.10 0.89 -0.02 0.86 1.82 -0.93 -3.13 116.42 116.01 2dbh h ASP 24 Ca 0.03 -0.78 0.01 0.00 -0.39 0.00 0.00 57.03 55.89 2dbh h ASP 24 Cb -0.00 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 39.73 2dbh h ASP 24 CO -0.01 1.57 0.01 0.74 -1.61 0.00 0.00 179.24 179.95 2dbh h THR 25 N 0.32 0.99 0.12 2.25 2.02 -1.12 0.08 112.91 117.56 2dbh h THR 25 Ca -0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2dbh h THR 25 Cb 1.80 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 2dbh h THR 25 CO 0.22 0.00 -0.06 0.58 0.37 0.00 0.00 175.52 176.64 2dbh h VAL 26 N 0.00 1.06 0.00 3.16 2.07 -1.48 -3.24 116.25 117.82 2dbh h VAL 26 Ca 0.01 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 2dbh h VAL 26 Cb 0.04 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2dbh h VAL 26 CO -0.00 0.26 -0.20 -0.07 0.02 0.00 0.00 177.57 177.58 2dbh h LEU 27 N -0.76 0.00 -2.02 2.57 3.38 -1.44 -2.23 115.31 114.81 2dbh h LEU 27 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2dbh h LEU 27 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dbh h LEU 27 CO 0.03 0.20 0.10 -0.09 0.09 0.00 0.00 178.44 178.77 2dbh h ARG 28 N 0.00 0.00 0.02 1.13 2.43 -1.01 0.66 114.38 117.61 2dbh h ARG 28 Ca -0.00 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 2dbh h ARG 28 Cb 0.37 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2dbh h ARG 28 CO 0.03 0.00 -1.14 1.96 -1.51 0.00 0.00 179.97 179.30 2dbh h GLN 29 N 0.00 0.03 0.12 0.20 4.20 -1.44 -3.28 115.11 114.94 2dbh h GLN 29 Ca 0.07 -0.06 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 2dbh h GLN 29 Cb 0.27 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2dbh h GLN 29 CO -0.00 0.95 -1.51 0.28 -0.67 0.00 0.00 178.83 177.89 2dbh h VAL 30 N 0.01 1.18 -0.07 -0.54 2.07 -1.17 -3.17 116.25 114.57 2dbh h VAL 30 Ca -0.07 -2.81 0.02 0.00 0.82 0.00 0.00 66.70 64.66 2dbh h VAL 30 Cb 1.83 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 34.38 2dbh h VAL 30 CO 0.13 0.82 0.05 0.03 0.02 0.00 0.00 177.57 178.62 2dbh h ARG 31 N 0.07 0.00 0.02 1.57 3.08 0.16 -2.07 114.38 117.22 2dbh h ARG 31 Ca -0.23 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 2dbh h ARG 31 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.07 2dbh h ARG 31 CO 0.17 0.00 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.99 2dbh h LEU 32 N 0.00 -0.03 -7.00 3.04 3.38 -1.65 -3.43 115.31 109.63 2dbh h LEU 32 Ca 0.03 -0.18 -0.61 0.00 0.09 0.00 0.00 57.88 57.21 2dbh h LEU 32 Cb 0.13 0.01 -0.40 0.00 0.09 0.00 0.00 40.66 40.48 2dbh h LEU 32 CO -0.00 0.55 -0.73 -0.62 0.09 0.00 0.00 178.44 177.73 2dbh s ASP 33 N -5.63 3.66 0.93 -0.43 -1.08 -1.15 -5.12 116.67 107.84 2dbh s ASP 33 Ca -0.04 -2.72 -0.12 0.00 -0.52 0.00 0.00 52.55 49.15 2dbh s ASP 33 Cb -0.00 -1.08 0.15 0.00 -1.46 0.00 0.00 42.92 40.53 2dbh s ASP 33 CO 0.14 -0.25 1.10 -2.16 0.52 0.00 0.00 175.17 174.52 2dbh s PRO 34 N 0.22 1.00 0.13 4.34 0.04 -0.79 -4.66 135.00 135.28 2dbh s PRO 34 Ca 0.18 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.82 2dbh s PRO 34 Cb -0.22 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2dbh s PRO 34 CO -0.01 -2.36 0.00 0.00 0.04 0.00 0.00 177.00 174.67 2dbh s ASP 36 N -1.37 -0.39 -0.22 0.00 2.15 -1.26 -5.06 116.67 110.51 2dbh s ASP 36 Ca 0.00 0.53 0.21 0.00 0.43 0.00 0.00 52.55 53.72 2dbh s ASP 36 Cb 0.00 0.46 0.49 0.00 -0.30 0.00 0.00 42.92 43.57 2dbh s ASP 36 CO 0.00 -0.29 1.13 0.18 -0.17 0.00 0.00 175.17 176.02 2dbh n LEU 37 N 1.14 1.88 -0.09 -1.34 4.77 -1.26 -4.89 117.00 117.21 2dbh n LEU 37 Ca -0.11 -3.08 -0.16 0.00 -0.03 0.00 0.00 56.01 52.63 2dbh n LEU 37 Cb 0.57 0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.87 2dbh n LEU 37 CO 0.12 1.08 -0.35 -0.61 -1.33 0.00 0.00 177.39 176.30 2dbh h GLN 38 N 2.29 0.00 -0.69 3.23 5.75 -2.00 -3.35 115.11 120.34 2dbh h GLN 38 Ca -0.09 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 58.60 2dbh h GLN 38 Cb 1.39 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.91 2dbh h GLN 38 CO 0.23 0.74 0.57 -1.35 -2.65 0.00 0.00 178.83 176.37 2dbh h PRO 39 N -1.00 0.00 -0.03 -2.39 0.11 -1.98 0.37 132.00 127.07 2dbh h PRO 39 Ca -0.22 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.74 2dbh h PRO 39 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2dbh h PRO 39 CO -0.13 0.00 -0.68 0.82 -0.21 0.00 0.00 178.00 177.80 2dbh h ILE 40 N 0.00 1.44 0.10 4.15 2.04 -1.91 -3.01 117.51 120.31 2dbh h ILE 40 Ca 0.33 -2.20 -0.35 0.00 1.00 0.00 0.00 64.86 63.64 2dbh h ILE 40 Cb 1.47 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 39.69 2dbh h ILE 40 CO -0.00 0.64 -1.92 0.49 0.00 0.00 0.00 178.15 177.36 2dbh n PHE 41 N -3.79 1.23 0.15 1.37 3.01 0.86 -3.29 117.46 116.99 2dbh n PHE 41 Ca -0.02 0.30 0.11 0.00 1.01 0.00 0.00 57.45 58.85 2dbh n PHE 41 Cb 0.67 -1.17 0.63 0.00 -0.01 0.00 0.00 39.48 39.59 2dbh n PHE 41 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2dbh h ASP 42 N 0.06 0.05 0.67 4.37 5.19 -0.54 0.85 116.42 127.06 2dbh h ASP 42 Ca -0.39 -0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 55.76 2dbh h ASP 42 Cb 2.03 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 41.50 2dbh h ASP 42 CO 0.09 0.03 -1.42 -0.78 -3.12 0.00 0.00 179.24 174.04 2dbh h ASP 43 N 0.06 0.07 1.47 6.45 1.82 -1.67 -3.33 116.42 121.29 2dbh h ASP 43 Ca 0.10 -0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.60 2dbh h ASP 43 Cb 0.31 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 2dbh h ASP 43 CO -0.01 1.09 -0.54 0.24 -1.61 0.00 0.00 179.24 178.41 2dbh h MET 44 N 0.01 0.00 -0.60 0.28 2.86 -1.25 -3.31 114.93 112.92 2dbh h MET 44 Ca -0.18 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.63 2dbh h MET 44 Cb 1.92 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.56 2dbh h MET 44 CO 0.11 0.11 0.46 -0.07 1.06 0.00 0.00 176.91 178.58 2dbh h LEU 45 N 0.00 0.00 0.00 1.22 3.38 0.57 0.03 115.31 120.51 2dbh h LEU 45 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2dbh h LEU 45 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2dbh h LEU 45 CO 0.02 0.00 -0.05 0.45 0.09 0.00 0.00 178.44 178.95 2dbh h HIS 46 N 0.00 0.04 -0.14 1.13 3.86 -1.77 -3.29 115.15 114.98 2dbh h HIS 46 Ca 0.29 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2dbh h HIS 46 Cb 1.19 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 2dbh h HIS 46 CO 0.00 0.92 0.09 0.74 0.86 0.00 0.00 177.93 180.54 2dbh h PHE 47 N -0.86 0.15 -4.33 2.45 -1.00 -1.49 -3.43 116.94 108.45 2dbh h PHE 47 Ca -0.01 0.00 -0.47 0.00 2.81 0.00 0.00 57.97 60.31 2dbh h PHE 47 Cb 0.94 -0.05 0.09 0.00 3.61 0.00 0.00 35.95 40.54 2dbh h PHE 47 CO 0.24 0.10 0.35 -0.51 -1.61 0.00 0.00 178.31 176.88 2dbh s LEU 48 N -9.19 2.65 0.34 1.54 1.43 -0.09 -5.10 118.68 110.26 2dbh s LEU 48 Ca -0.06 0.72 0.08 0.00 -1.03 0.00 0.00 54.13 53.84 2dbh s LEU 48 Cb 0.17 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 2dbh s LEU 48 CO 0.69 -1.74 0.24 0.20 0.23 0.00 0.00 176.35 175.97 2dbh s ASN 49 N -4.53 5.04 0.29 2.29 0.01 -1.26 -4.94 114.94 111.84 2dbh s ASN 49 Ca 0.61 -0.61 -0.02 0.00 -0.71 0.00 0.00 52.86 52.13 2dbh s ASN 49 Cb -0.11 -0.86 0.43 0.00 0.41 0.00 0.00 41.25 41.12 2dbh s ASN 49 CO 0.48 -0.34 1.91 1.55 -1.51 0.00 0.00 177.10 179.19 2dbh h PRO 50 N 1.36 0.97 -0.01 -0.60 0.13 -1.97 -1.68 132.00 130.20 2dbh h PRO 50 Ca -0.44 -0.11 -0.16 0.00 -0.87 0.00 0.00 66.00 64.42 2dbh h PRO 50 Cb 1.25 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2dbh h PRO 50 CO 0.60 0.73 -0.73 1.49 -0.23 0.00 0.00 178.00 179.86 2dbh h GLU 51 N 0.98 0.06 -0.14 0.86 4.57 -2.02 -3.17 114.58 115.71 2dbh h GLU 51 Ca 0.25 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.22 2dbh h GLU 51 Cb 0.05 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2dbh h GLU 51 CO -0.04 0.76 -0.58 0.93 -1.18 0.00 0.00 179.01 178.91 2dbh h GLU 52 N 0.04 0.46 -0.04 1.92 5.08 -1.83 -3.00 114.58 117.20 2dbh h GLU 52 Ca -0.01 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2dbh h GLU 52 Cb 1.29 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 2dbh h GLU 52 CO 0.10 0.91 0.01 -0.07 -1.00 0.00 0.00 179.01 178.95 2dbh h LEU 53 N 0.35 0.04 -0.92 1.33 3.38 -1.29 -2.06 115.31 116.14 2dbh h LEU 53 Ca 0.00 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2dbh h LEU 53 Cb 1.11 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 2dbh h LEU 53 CO 0.10 0.05 0.61 -0.09 0.09 0.00 0.00 178.44 179.20 2dbh h ARG 54 N 0.05 1.19 -0.19 1.13 2.43 -1.58 0.55 114.38 117.95 2dbh h ARG 54 Ca 0.01 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2dbh h ARG 54 Cb 0.02 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 2dbh h ARG 54 CO -0.00 0.78 -0.11 0.28 -1.51 0.00 0.00 179.97 179.41 2dbh h VAL 55 N 1.22 1.19 0.03 0.20 2.07 -1.49 -2.76 116.25 116.71 2dbh h VAL 55 Ca 0.35 -0.81 -0.27 0.00 0.82 0.00 0.00 66.70 66.78 2dbh h VAL 55 Cb -0.10 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2dbh h VAL 55 CO -0.09 0.26 -1.46 0.40 0.02 0.00 0.00 177.57 176.70 2dbh h ILE 56 N 0.29 1.18 -0.06 4.57 2.04 -1.30 -3.32 117.51 120.90 2dbh h ILE 56 Ca 0.06 -2.94 -0.00 0.00 1.00 0.00 0.00 64.86 62.98 2dbh h ILE 56 Cb 0.38 2.64 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2dbh h ILE 56 CO 0.02 0.73 0.02 -0.33 0.00 0.00 0.00 178.15 178.59 2dbh h GLU 57 N 0.02 0.08 -0.05 2.37 5.08 0.33 -1.35 114.58 121.07 2dbh h GLU 57 Ca -0.19 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2dbh h GLU 57 Cb 1.94 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.17 2dbh h GLU 57 CO 0.11 0.08 -0.01 0.93 -1.00 0.00 0.00 179.01 179.12 2dbh h GLU 58 N 0.09 0.07 -6.35 2.33 5.08 -1.60 -3.39 114.58 110.81 2dbh h GLU 58 Ca 0.02 -0.01 -0.59 0.00 -1.00 0.00 0.00 59.36 57.79 2dbh h GLU 58 Cb 0.03 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.17 2dbh h GLU 58 CO -0.00 0.10 0.71 0.42 -1.00 0.00 0.00 179.01 179.24 2dbh s ILE 59 N -5.01 4.38 0.06 3.13 1.01 -0.51 -4.92 121.20 119.35 2dbh s ILE 59 Ca -0.05 0.96 -0.16 0.00 0.00 0.00 0.00 60.65 61.41 2dbh s ILE 59 Cb 0.17 -4.49 -0.19 0.00 0.01 0.00 0.00 42.46 37.96 2dbh s ILE 59 CO 0.69 -0.87 1.23 1.55 0.00 0.00 0.00 174.94 177.53 2dbh h PRO 60 N 9.07 0.64 -7.09 2.79 0.13 -1.84 -3.45 132.00 132.25 2dbh h PRO 60 Ca -0.24 -0.58 -0.55 0.00 -0.87 0.00 0.00 66.00 63.77 2dbh h PRO 60 Cb 1.07 0.14 0.17 0.00 0.13 0.00 0.00 31.00 32.51 2dbh h PRO 60 CO 1.06 1.19 0.33 1.04 -0.23 0.00 0.00 178.00 181.39 2dbh n GLN 61 N -4.05 0.63 -0.01 0.86 3.00 -1.26 -4.96 117.38 111.58 2dbh n GLN 61 Ca -0.09 0.28 -0.21 0.00 -0.01 0.00 0.00 57.00 56.97 2dbh n GLN 61 Cb 0.72 -2.41 -0.13 0.00 0.00 0.00 0.00 30.24 28.42 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 -0.18 0.17 -0.19 -1.58 0.00 -1.99 -3.09 119.26 112.41 2dbh h ALA 62 Ca -0.48 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.37 2dbh h ALA 62 Cb 1.32 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2dbh h ALA 62 CO 0.49 0.75 0.12 1.49 0.00 0.00 0.00 179.25 182.10 2dbh h GLU 63 N -0.43 0.25 -0.09 0.00 4.57 -1.99 -2.27 114.58 114.60 2dbh h GLU 63 Ca -0.29 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.82 2dbh h GLU 63 Cb 1.65 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.18 2dbh h GLU 63 CO 0.02 0.17 -0.20 0.22 -1.18 0.00 0.00 179.01 178.05 2dbh h ASP 64 N 0.25 0.14 -0.90 1.04 3.58 -1.98 -2.69 116.42 115.87 2dbh h ASP 64 Ca 0.07 -0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.50 2dbh h ASP 64 Cb -0.02 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 2dbh h ASP 64 CO -0.01 0.35 0.59 0.50 -2.88 0.00 0.00 179.24 177.79 2dbh h LYS 65 N 0.14 1.17 -0.18 0.28 3.64 -1.33 -1.72 116.57 118.58 2dbh h LYS 65 Ca 0.03 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2dbh h LYS 65 Cb 0.43 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2dbh h LYS 65 CO 0.03 0.78 -0.04 1.25 -2.27 0.00 0.00 179.45 179.20 2dbh h LEU 66 N 1.21 0.24 -1.22 5.20 5.85 -1.18 -1.81 115.31 123.60 2dbh h LEU 66 Ca 0.33 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 2dbh h LEU 66 Cb -0.13 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2dbh h LEU 66 CO -0.07 0.33 -0.28 -0.78 -0.34 0.00 0.00 178.44 177.29 2dbh h ASP 67 N 0.26 0.18 0.31 1.25 1.82 -1.31 -2.87 116.42 116.06 2dbh h ASP 67 Ca 0.06 -0.05 -0.27 0.00 -0.39 0.00 0.00 57.03 56.37 2dbh h ASP 67 Cb 0.24 -0.05 0.02 0.00 0.68 0.00 0.00 39.33 40.22 2dbh h ASP 67 CO 0.01 0.46 -1.15 -0.09 -1.61 0.00 0.00 179.24 176.86 2dbh h ARG 68 N 0.16 0.48 -0.14 0.28 9.65 -1.14 -3.04 114.38 120.62 2dbh h ARG 68 Ca 0.02 -0.63 0.01 0.00 -1.10 0.00 0.00 59.98 58.29 2dbh h ARG 68 Cb 0.58 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 2dbh h ARG 68 CO 0.04 1.26 0.10 1.25 2.80 0.00 0.00 179.97 185.42 2dbh h LEU 69 N 0.22 0.12 0.00 3.80 5.85 -1.19 -1.22 115.31 122.88 2dbh h LEU 69 Ca -0.14 -0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.37 2dbh h LEU 69 Cb 1.82 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.79 2dbh h LEU 69 CO 0.21 0.09 -0.97 -0.26 -0.34 0.00 0.00 178.44 177.16 2dbh h PHE 70 N 0.14 0.00 -0.21 1.25 -1.00 -1.53 -2.74 116.94 112.85 2dbh h PHE 70 Ca 0.06 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.73 2dbh h PHE 70 Cb 0.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 2dbh h PHE 70 CO -0.00 0.94 -0.35 1.49 -1.61 0.00 0.00 178.31 178.79 2dbh h GLU 71 N 0.00 0.45 0.01 1.51 4.22 -1.12 0.32 114.58 119.96 2dbh h GLU 71 Ca -0.02 -0.20 -0.00 0.00 0.08 0.00 0.00 59.36 59.22 2dbh h GLU 71 Cb 1.74 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2dbh h GLU 71 CO 0.12 0.74 -0.00 0.82 -2.18 0.00 0.00 179.01 178.50 2dbh h ILE 72 N 0.38 0.96 -0.09 2.32 2.04 -1.48 -3.32 117.51 118.32 2dbh h ILE 72 Ca 0.04 -1.70 -0.07 0.00 1.00 0.00 0.00 64.86 64.13 2dbh h ILE 72 Cb 0.79 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2dbh h ILE 72 CO 0.06 0.32 -0.28 0.40 0.00 0.00 0.00 178.15 178.66 2dbh h ILE 73 N -0.99 1.24 -0.06 -0.67 1.08 -1.56 -2.09 117.51 114.45 2dbh h ILE 73 Ca -0.00 -1.13 0.02 0.00 -0.39 0.00 0.00 64.86 63.36 2dbh h ILE 73 Cb 0.54 1.49 -0.00 0.00 -3.07 0.00 0.00 36.82 35.77 2dbh h ILE 73 CO 0.00 0.34 0.07 1.23 -0.69 0.00 0.00 178.15 179.09 2dbh h GLY 74 N 0.98 0.00 0.00 5.37 0.00 -0.49 -2.02 103.07 106.90 2dbh h GLY 74 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 2dbh h GLY 74 CO 0.04 0.00 -1.93 -0.62 0.00 0.00 0.00 176.54 174.03 2dbh n VAL 75 N -3.91 0.13 0.01 4.60 0.31 -0.99 -3.82 118.33 114.65 2dbh n VAL 75 Ca -0.01 -0.48 -0.01 0.00 -0.01 0.00 0.00 64.34 63.83 2dbh n VAL 75 Cb 0.16 -0.01 -0.00 0.00 -0.91 0.00 0.00 33.84 33.08 2dbh n VAL 75 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2dbh h LYS 76 N 0.00 -0.04 0.00 5.55 3.64 -0.68 -3.49 116.57 121.54 2dbh h LYS 76 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2dbh h LYS 76 Cb 1.03 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2dbh h LYS 76 CO 0.00 -0.03 0.00 0.45 -2.27 0.00 0.00 179.45 177.60 2dbh n SER 77 N -2.41 0.00 0.01 4.20 2.88 -1.22 -5.03 113.62 112.05 2dbh n SER 77 Ca -0.01 -0.98 -0.10 0.00 -1.33 0.00 0.00 58.87 56.45 2dbh n SER 77 Cb 0.02 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.34 2dbh n SER 77 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2dbh h GLN 78 N 0.00 0.04 -0.23 -1.46 3.07 -1.94 -2.44 115.11 112.15 2dbh h GLN 78 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.67 2dbh h GLN 78 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 2dbh h GLN 78 CO 0.00 0.71 0.15 0.93 0.09 0.00 0.00 178.83 180.71 2dbh h GLU 79 N 0.01 0.30 0.02 0.06 5.08 -1.97 -0.69 114.58 117.39 2dbh h GLU 79 Ca -0.23 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 57.75 2dbh h GLU 79 Cb 1.96 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 31.09 2dbh h GLU 79 CO 0.10 0.20 -2.21 0.00 -1.00 0.00 0.00 179.01 176.11 2dbh n ALA 80 N -2.50 1.40 -0.06 3.43 0.00 -1.25 -4.08 120.51 117.44 2dbh n ALA 80 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 53.44 52.29 2dbh n ALA 80 Cb 0.08 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 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 0.29 -0.14 0.00 0.87 -1.20 -1.65 113.55 111.73 2dbh h SER 81 Ca -0.48 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 2dbh h SER 81 Cb 2.08 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.96 2dbh h SER 81 CO 0.02 0.30 0.09 -0.61 -0.53 0.00 0.00 176.83 176.10 2dbh h GLN 82 N 0.25 0.19 -0.12 2.24 5.75 -1.34 -1.42 115.11 120.67 2dbh h GLN 82 Ca 0.08 -0.01 -0.18 0.00 -0.15 0.00 0.00 58.65 58.38 2dbh h GLN 82 Cb 0.08 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 2dbh h GLN 82 CO -0.01 0.13 -0.69 1.15 -2.65 0.00 0.00 178.83 176.76 2dbh h THR 83 N 0.20 1.35 0.32 2.39 2.02 -1.58 -1.99 112.91 115.62 2dbh h THR 83 Ca 0.05 -2.03 -0.02 0.00 0.77 0.00 0.00 66.41 65.19 2dbh h THR 83 Cb -0.01 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2dbh h THR 83 CO -0.01 0.62 -0.15 0.25 0.37 0.00 0.00 175.52 176.60 2dbh h LEU 84 N 0.36 -0.36 -1.92 2.58 5.85 -0.40 0.81 115.31 122.23 2dbh h LEU 84 Ca -0.02 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2dbh h LEU 84 Cb 1.27 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 2dbh h LEU 84 CO 0.13 0.07 0.05 -0.07 -0.34 0.00 0.00 178.44 178.27 2dbh h LEU 85 N -0.89 0.09 0.09 2.25 3.38 -1.39 -1.81 115.31 117.04 2dbh h LEU 85 Ca -0.04 -0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 2dbh h LEU 85 Cb 0.52 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2dbh h LEU 85 CO 0.07 0.07 -1.54 -0.78 0.09 0.00 0.00 178.44 176.35 2dbh h ASP 86 N 0.10 0.31 -0.82 -0.43 1.82 -1.33 -3.34 116.42 112.74 2dbh h ASP 86 Ca 0.03 -0.46 -0.01 0.00 -0.39 0.00 0.00 57.03 56.20 2dbh h ASP 86 Cb -0.01 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 39.86 2dbh h ASP 86 CO -0.01 1.38 0.45 -1.28 -1.61 0.00 0.00 179.24 178.18 2dbh h SER 87 N 0.05 1.02 -0.36 2.28 0.87 0.13 0.85 113.55 118.39 2dbh h SER 87 Ca -0.24 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.24 2dbh h SER 87 Cb 2.00 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.68 2dbh h SER 87 CO 0.14 0.82 0.24 0.58 -0.53 0.00 0.00 176.83 178.09 2dbh h VAL 88 N 1.13 1.07 0.01 2.23 2.07 -1.48 0.54 116.25 121.82 2dbh h VAL 88 Ca 0.29 -0.16 -0.31 0.00 0.82 0.00 0.00 66.70 67.34 2dbh h VAL 88 Cb 0.02 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2dbh h VAL 88 CO -0.05 0.08 -1.86 -1.22 0.02 0.00 0.00 177.57 174.55 2dbh n TYR 89 N -4.48 0.82 0.10 1.57 4.01 -0.83 -2.29 117.16 116.04 2dbh n TYR 89 Ca 0.03 0.29 -0.06 0.00 -0.16 0.00 0.00 57.90 58.00 2dbh n TYR 89 Cb 0.09 -1.15 0.03 0.00 -0.31 0.00 0.00 39.34 38.01 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 0.12 0.28 7.72 0.87 0.12 -3.16 113.55 119.50 2dbh h SER 90 Ca -0.34 -0.09 -0.33 0.00 -1.23 0.00 0.00 61.79 59.79 2dbh h SER 90 Cb 2.06 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.95 2dbh h SER 90 CO 0.07 0.87 -1.89 1.41 -0.53 0.00 0.00 176.83 176.76 2dbh n HIS 91 N -3.65 1.12 -3.76 2.24 8.25 0.19 -4.60 115.22 115.01 2dbh n HIS 91 Ca -0.02 0.30 -0.30 0.00 -0.26 0.00 0.00 57.72 57.44 2dbh n HIS 91 Cb 0.76 -1.17 -0.10 0.00 1.12 0.00 0.00 29.99 30.61 2dbh n HIS 91 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2dbh n LEU 92 N -3.28 3.52 0.20 2.41 4.77 -0.97 -4.90 117.00 118.75 2dbh n LEU 92 Ca -0.26 -5.22 0.07 0.00 -0.03 0.00 0.00 56.01 50.57 2dbh n LEU 92 Cb 1.05 -0.86 0.41 0.00 -2.33 0.00 0.00 43.42 41.69 2dbh n LEU 92 CO 0.44 1.73 0.74 1.55 -1.33 0.00 0.00 177.39 180.52 2dbh h PRO 93 N 5.42 0.00 -0.22 3.23 0.13 -1.80 -3.01 132.00 135.76 2dbh h PRO 93 Ca 0.16 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.33 2dbh h PRO 93 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2dbh h PRO 93 CO 0.78 0.32 0.15 -0.44 -0.23 0.00 0.00 178.00 178.58 2dbh h ASP 94 N 0.00 0.12 -0.33 1.44 3.32 -1.90 -1.03 116.42 118.03 2dbh h ASP 94 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dbh h ASP 94 Cb 0.78 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 2dbh h ASP 94 CO 0.04 0.08 0.22 -0.07 -1.72 0.00 0.00 179.24 177.79 2dbh h LEU 95 N 0.13 0.39 -9.94 1.55 3.38 -1.90 -3.42 115.31 105.50 2dbh h LEU 95 Ca 0.10 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.53 2dbh h LEU 95 Cb 0.21 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2dbh h LEU 95 CO -0.01 0.29 -0.51 -0.76 0.09 0.00 0.00 178.44 177.53 2dbh s LEU 96 N -9.41 4.00 -0.37 1.67 1.43 -0.39 -5.03 118.68 110.58 2dbh s LEU 96 Ca -0.08 -0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.01 2dbh s LEU 96 Cb 0.17 -2.57 0.48 0.00 0.03 0.00 0.00 46.19 44.30 2dbh s LEU 96 CO 0.72 0.01 1.48 -1.20 0.23 0.00 0.00 176.35 177.58 2dbh n SER 97 N -0.84 4.38 0.00 2.29 7.64 -1.26 -4.94 113.62 120.89 2dbh n SER 97 Ca -0.08 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.02 2dbh n SER 97 Cb 0.56 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2dbh n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbh n GLY 98 N -0.93 2.12 0.42 0.23 0.00 -1.26 -4.95 105.19 100.81 2dbh n GLY 98 Ca 0.43 -0.69 0.23 0.00 0.00 0.00 0.00 46.02 45.98 2dbh n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2dbh h PRO 99 N 0.00 0.00 -3.48 1.61 0.11 -1.96 -3.47 132.00 124.80 2dbh h PRO 99 Ca 0.00 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.26 2dbh h PRO 99 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.03 2dbh h PRO 99 CO 0.00 0.00 -1.07 0.45 -0.21 0.00 0.00 178.00 177.17 2dbh n SER 100 N -3.63 -7.84 -0.07 -2.05 2.88 -1.26 -4.90 113.62 96.75 2dbh n SER 100 Ca 0.11 1.63 -0.09 0.00 -1.33 0.00 0.00 58.87 59.19 2dbh n SER 100 Cb 0.82 -4.80 -0.09 0.00 -0.75 0.00 0.00 64.21 59.39 2dbh n SER 100 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dbh n SER 101 N -3.32 2.14 0.00 -3.46 7.64 -1.26 -5.27 113.62 110.09 2dbh n SER 101 Ca -0.04 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2dbh n SER 101 Cb 0.55 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 2dbh n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64