#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 2.53 -3.96 1.61 3.41 -1.26 -5.14 113.62 110.81 2dbh n SER 2 Ca 0.00 -2.59 -0.24 0.00 -0.26 0.00 0.00 58.87 55.78 2dbh n SER 2 Cb 0.00 0.01 -0.17 0.00 -0.26 0.00 0.00 64.21 63.79 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 -3.60 1.65 0.00 4.04 0.01 -1.26 -4.91 113.70 109.63 2dbh s SER 3 Ca 0.22 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.23 2dbh s SER 3 Cb -0.02 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.49 2dbh s SER 3 CO 0.14 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2dbh n GLY 4 N 4.15 0.74 3.75 3.44 0.00 -1.26 -5.11 105.19 110.90 2dbh n GLY 4 Ca -0.21 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 6.93 -0.12 1.61 0.01 -1.26 -4.48 113.70 116.39 2dbh s SER 5 Ca 0.00 2.48 -0.09 0.00 1.31 0.00 0.00 55.95 59.66 2dbh s SER 5 Cb 0.00 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.63 2dbh s SER 5 CO 0.00 -0.45 0.17 -1.20 0.41 0.00 0.00 173.24 172.18 2dbh n SER 6 N 1.60 -3.29 0.00 2.44 7.64 -1.26 -5.05 113.62 115.71 2dbh n SER 6 Ca 0.02 1.51 0.00 0.00 1.01 0.00 0.00 58.87 61.42 2dbh n SER 6 Cb 0.43 -5.24 0.00 0.00 -1.01 0.00 0.00 64.21 58.38 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 1.75 1.40 0.97 0.23 0.00 -1.26 -5.05 105.19 103.22 2dbh n GLY 7 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.69 -4.45 1.61 3.41 -1.26 -5.13 113.62 108.50 2dbh n SER 8 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2dbh n SER 8 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2dbh n SER 8 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dbh s SER 9 N -4.44 3.54 0.21 4.04 1.04 -1.26 -4.46 113.70 112.37 2dbh s SER 9 Ca 0.00 -1.68 0.00 0.00 0.48 0.00 0.00 55.95 54.75 2dbh s SER 9 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2dbh s SER 9 CO 0.00 -0.91 0.00 0.00 0.98 0.00 0.00 173.24 173.31 2dbh n ALA 10 N -1.12 0.45 -0.03 5.32 0.00 -1.26 -5.01 120.51 118.87 2dbh n ALA 10 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 2dbh n ALA 10 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.10 2dbh n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dbh n LEU 11 N -2.94 0.65 -4.72 0.00 4.32 -1.26 -4.96 117.00 108.09 2dbh n LEU 11 Ca 0.00 0.11 -0.38 0.00 -0.02 0.00 0.00 56.01 55.72 2dbh n LEU 11 Cb 0.00 -0.58 -0.06 0.00 -1.62 0.00 0.00 43.42 41.16 2dbh n LEU 11 CO 0.00 -0.42 0.22 -0.44 -1.22 0.00 0.00 177.39 175.52 2dbh s SER 12 N -4.65 6.75 0.88 -1.43 0.01 -1.26 -5.06 113.70 108.94 2dbh s SER 12 Ca -0.10 0.89 -0.10 0.00 1.31 0.00 0.00 55.95 57.95 2dbh s SER 12 Cb 0.01 -2.31 0.12 0.00 0.21 0.00 0.00 66.02 64.06 2dbh s SER 12 CO 0.14 -0.02 1.13 -0.13 0.41 0.00 0.00 173.24 174.77 2dbh s ARG 13 N 0.64 1.33 -1.71 12.44 1.81 -1.26 -3.24 118.95 128.97 2dbh s ARG 13 Ca 0.28 1.40 -0.01 0.00 -1.72 0.00 0.00 55.73 55.68 2dbh s ARG 13 Cb -0.16 -1.77 0.00 0.00 -0.45 0.00 0.00 34.95 32.57 2dbh s ARG 13 CO 0.12 -2.36 0.13 0.09 -0.68 0.00 0.00 175.30 172.59 2dbh n ASN 14 N -4.04 -5.90 0.00 0.23 4.13 -1.26 -4.71 115.26 103.72 2dbh n ASN 14 Ca 0.11 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.29 2dbh n ASN 14 Cb 0.52 -4.86 0.00 0.00 -1.54 0.00 0.00 39.78 33.90 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 -1.13 2.35 3.64 7.41 0.00 -1.20 -5.08 105.19 111.18 2dbh n GLY 15 Ca -0.22 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 43.86 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 3.84 -0.21 1.61 1.04 -1.24 -4.53 113.70 114.21 2dbh s SER 16 Ca 0.00 -1.44 0.05 0.00 0.48 0.00 0.00 55.95 55.04 2dbh s SER 16 Cb 0.00 -0.15 -0.21 0.00 0.10 0.00 0.00 66.02 65.77 2dbh s SER 16 CO 0.00 -0.56 -0.02 0.49 0.98 0.00 0.00 173.24 174.13 2dbh n PHE 17 N -1.02 0.25 -3.82 5.02 3.72 -1.26 -4.99 117.46 115.36 2dbh n PHE 17 Ca -0.08 0.06 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 2dbh n PHE 17 Cb 0.67 -1.04 -0.12 0.00 -0.94 0.00 0.00 39.48 38.05 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 -2.52 0.01 0.49 4.37 1.01 -1.24 -4.88 121.20 118.44 2dbh s ILE 18 Ca -0.25 -0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.34 2dbh s ILE 18 Cb 0.08 -0.29 0.06 0.00 0.01 0.00 0.00 42.46 42.32 2dbh s ILE 18 CO 0.69 -0.06 0.50 0.35 0.00 0.00 0.00 174.94 176.42 2dbh n THR 19 N 2.72 0.00 0.06 2.92 -2.24 -1.26 -4.81 114.28 111.68 2dbh n THR 19 Ca -0.14 -1.81 -0.07 0.00 -2.27 0.00 0.00 64.05 59.76 2dbh n THR 19 Cb 0.58 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.01 -0.16 -0.78 3.64 -2.01 -3.27 116.57 113.99 2dbh h LYS 20 Ca -0.27 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.97 2dbh h LYS 20 Cb 1.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2dbh h LYS 20 CO 0.42 0.98 -0.47 1.49 -2.27 0.00 0.00 179.45 179.61 2dbh h GLU 21 N 0.00 0.41 -0.12 1.90 4.81 -2.00 -2.89 114.58 116.69 2dbh h GLU 21 Ca -0.01 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2dbh h GLU 21 Cb 1.74 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.12 2dbh h GLU 21 CO 0.13 0.79 0.08 0.87 -0.73 0.00 0.00 179.01 180.15 2dbh h LYS 22 N 0.33 0.16 0.00 1.92 1.57 -1.97 -1.07 116.57 117.51 2dbh h LYS 22 Ca 0.02 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 2dbh h LYS 22 Cb 0.95 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2dbh h LYS 22 CO 0.08 0.11 -0.63 0.87 -0.57 0.00 0.00 179.45 179.31 2dbh h LYS 23 N 0.17 0.00 0.00 3.15 1.57 -1.63 -3.07 116.57 116.76 2dbh h LYS 23 Ca 0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 2dbh h LYS 23 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2dbh h LYS 23 CO -0.01 0.37 -0.59 -0.44 -0.57 0.00 0.00 179.45 178.21 2dbh h ASP 24 N 0.00 0.00 0.33 0.86 5.19 -1.02 -2.68 116.42 119.09 2dbh h ASP 24 Ca -0.03 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.05 2dbh h ASP 24 Cb 1.35 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.87 2dbh h ASP 24 CO 0.05 0.59 -1.57 0.74 -3.12 0.00 0.00 179.24 175.93 2dbh h THR 25 N 0.00 1.15 0.63 0.35 2.02 -1.53 -3.08 112.91 112.45 2dbh h THR 25 Ca -0.01 -2.70 -0.03 0.00 0.77 0.00 0.00 66.41 64.44 2dbh h THR 25 Cb 1.04 2.87 0.01 0.00 -1.74 0.00 0.00 68.15 70.32 2dbh h THR 25 CO 0.08 0.84 -0.30 0.58 0.37 0.00 0.00 175.52 177.08 2dbh h VAL 26 N 0.11 0.00 -0.12 3.16 2.07 -1.53 -2.93 116.25 117.01 2dbh h VAL 26 Ca -0.27 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2dbh h VAL 26 Cb 2.09 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2dbh h VAL 26 CO 0.21 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.86 2dbh h LEU 27 N -0.93 0.00 0.40 2.57 3.38 -1.67 -2.65 115.31 116.42 2dbh h LEU 27 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2dbh h LEU 27 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2dbh h LEU 27 CO 0.14 0.00 -0.36 -0.09 0.09 0.00 0.00 178.44 178.22 2dbh h ARG 28 N 0.00 -0.74 0.00 1.13 2.43 -1.42 0.56 114.38 116.34 2dbh h ARG 28 Ca 0.06 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2dbh h ARG 28 Cb 0.31 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2dbh h ARG 28 CO -0.00 -0.49 -0.11 1.96 -1.51 0.00 0.00 179.97 179.82 2dbh h GLN 29 N -0.77 0.00 -0.04 0.20 4.20 -1.39 -2.09 115.11 115.22 2dbh h GLN 29 Ca -0.03 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.45 2dbh h GLN 29 Cb 0.68 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.47 2dbh h GLN 29 CO -0.04 0.11 -0.85 0.28 -0.67 0.00 0.00 178.83 177.66 2dbh h VAL 30 N 0.00 1.32 -0.09 -0.54 2.07 -1.26 -3.08 116.25 114.67 2dbh h VAL 30 Ca -0.00 -2.11 -0.06 0.00 0.82 0.00 0.00 66.70 65.35 2dbh h VAL 30 Cb 0.20 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2dbh h VAL 30 CO 0.01 0.65 -0.21 0.03 0.02 0.00 0.00 177.57 178.07 2dbh h ARG 31 N 0.30 0.15 0.58 1.57 3.08 0.55 -1.95 114.38 118.66 2dbh h ARG 31 Ca -0.09 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 2dbh h ARG 31 Cb 1.51 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.55 2dbh h ARG 31 CO 0.17 0.36 -0.28 -0.07 -1.07 0.00 0.00 179.97 179.08 2dbh h LEU 32 N 0.14 -0.66 -6.06 3.04 3.38 -1.40 -3.43 115.31 110.32 2dbh h LEU 32 Ca 0.02 -0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 2dbh h LEU 32 Cb 0.46 0.17 -0.26 0.00 0.09 0.00 0.00 40.66 41.11 2dbh h LEU 32 CO 0.03 -0.30 -0.62 -1.81 0.09 0.00 0.00 178.44 175.83 2dbh s ASP 33 N -4.65 0.08 0.29 -0.43 1.01 -1.17 -5.13 116.67 106.67 2dbh s ASP 33 Ca -0.14 -1.55 -0.29 0.00 0.71 0.00 0.00 52.55 51.28 2dbh s ASP 33 Cb 0.02 1.04 -0.10 0.00 1.01 0.00 0.00 42.92 44.89 2dbh s ASP 33 CO 0.47 -0.19 1.13 -2.16 0.21 0.00 0.00 175.17 174.63 2dbh s PRO 34 N 1.31 4.57 0.01 8.23 0.04 -0.74 -4.81 135.00 143.61 2dbh s PRO 34 Ca 0.20 1.87 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 2dbh s PRO 34 Cb -0.08 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 2dbh s PRO 34 CO -0.06 0.13 -0.02 0.00 0.04 0.00 0.00 177.00 177.09 2dbh s ASP 36 N -5.00 -1.14 -0.56 0.00 2.15 -1.26 -5.04 116.67 105.82 2dbh s ASP 36 Ca -0.02 1.07 0.01 0.00 0.43 0.00 0.00 52.55 54.04 2dbh s ASP 36 Cb 0.00 2.10 0.46 0.00 -0.30 0.00 0.00 42.92 45.18 2dbh s ASP 36 CO 0.02 -0.25 1.80 0.18 -0.17 0.00 0.00 175.17 176.76 2dbh n LEU 37 N 5.43 6.90 -0.09 -1.34 4.77 -1.26 -4.60 117.00 126.80 2dbh n LEU 37 Ca -0.05 -4.39 -0.17 0.00 -0.03 0.00 0.00 56.01 51.37 2dbh n LEU 37 Cb 0.50 -0.80 -0.09 0.00 -2.33 0.00 0.00 43.42 40.70 2dbh n LEU 37 CO 0.01 1.63 -0.43 -0.61 -1.33 0.00 0.00 177.39 176.65 2dbh h GLN 38 N 2.01 0.00 -0.39 3.23 5.75 -2.00 -3.35 115.11 120.37 2dbh h GLN 38 Ca 0.54 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 59.15 2dbh h GLN 38 Cb 1.06 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.59 2dbh h GLN 38 CO 1.35 0.72 0.36 -1.35 -2.65 0.00 0.00 178.83 177.25 2dbh h PRO 39 N -1.00 0.00 -0.00 -2.39 0.11 -1.97 0.15 132.00 126.90 2dbh h PRO 39 Ca -0.24 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.74 2dbh h PRO 39 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2dbh h PRO 39 CO -0.14 0.00 -0.63 0.82 -0.21 0.00 0.00 178.00 177.83 2dbh h ILE 40 N 0.00 1.45 0.12 4.15 2.04 -1.88 -2.86 117.51 120.53 2dbh h ILE 40 Ca 0.18 -2.16 -0.36 0.00 1.00 0.00 0.00 64.86 63.53 2dbh h ILE 40 Cb 0.89 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 2dbh h ILE 40 CO -0.00 0.62 -1.94 0.49 0.00 0.00 0.00 178.15 177.31 2dbh n PHE 41 N -3.79 1.25 0.26 1.37 3.01 0.30 -3.11 117.46 116.75 2dbh n PHE 41 Ca -0.01 0.28 0.12 0.00 1.01 0.00 0.00 57.45 58.85 2dbh n PHE 41 Cb 0.63 -1.16 0.76 0.00 -0.01 0.00 0.00 39.48 39.69 2dbh n PHE 41 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2dbh h ASP 42 N -0.01 0.00 0.58 4.37 1.82 -0.95 0.89 116.42 123.12 2dbh h ASP 42 Ca -0.42 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 55.94 2dbh h ASP 42 Cb 1.98 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.95 2dbh h ASP 42 CO 0.07 0.00 -1.59 -0.78 -1.61 0.00 0.00 179.24 175.33 2dbh h ASP 43 N 0.00 0.00 1.21 2.28 3.58 -1.65 -3.35 116.42 118.49 2dbh h ASP 43 Ca 0.02 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2dbh h ASP 43 Cb 0.07 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 2dbh h ASP 43 CO -0.00 1.00 -0.80 0.24 -2.88 0.00 0.00 179.24 176.80 2dbh h MET 44 N 0.00 0.00 -0.56 0.28 2.86 -1.25 -3.36 114.93 112.90 2dbh h MET 44 Ca -0.24 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.48 2dbh h MET 44 Cb 1.97 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.57 2dbh h MET 44 CO 0.09 0.04 0.23 -0.07 1.06 0.00 0.00 176.91 178.26 2dbh h LEU 45 N 0.00 0.26 -1.83 1.22 3.38 0.64 -0.08 115.31 118.89 2dbh h LEU 45 Ca -0.01 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2dbh h LEU 45 Cb 1.06 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2dbh h LEU 45 CO 0.01 0.17 -0.10 -0.74 0.09 0.00 0.00 178.44 177.86 2dbh h HIS 46 N 0.43 0.00 0.00 1.13 2.76 -1.76 -1.88 115.15 115.83 2dbh h HIS 46 Ca 0.27 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.26 2dbh h HIS 46 Cb 0.29 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 2dbh h HIS 46 CO -0.15 0.10 -0.83 0.74 -1.30 0.00 0.00 177.93 176.50 2dbh h PHE 47 N 0.00 0.13 -4.30 5.26 -1.00 -1.25 -3.45 116.94 112.33 2dbh h PHE 47 Ca -0.00 -0.07 -0.49 0.00 2.81 0.00 0.00 57.97 60.22 2dbh h PHE 47 Cb 0.19 -0.01 0.07 0.00 3.61 0.00 0.00 35.95 39.81 2dbh h PHE 47 CO 0.00 0.87 0.36 -0.51 -1.61 0.00 0.00 178.31 177.42 2dbh s LEU 48 N -7.30 2.96 0.26 1.54 1.43 -0.52 -5.09 118.68 111.95 2dbh s LEU 48 Ca -0.01 1.02 0.07 0.00 -1.03 0.00 0.00 54.13 54.18 2dbh s LEU 48 Cb 0.11 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2dbh s LEU 48 CO 0.81 -1.30 0.22 0.20 0.23 0.00 0.00 176.35 176.50 2dbh s ASN 49 N -4.36 5.56 0.30 2.29 -0.87 -1.26 -4.93 114.94 111.67 2dbh s ASN 49 Ca 0.57 -0.25 0.05 0.00 -1.57 0.00 0.00 52.86 51.66 2dbh s ASN 49 Cb -0.11 -1.39 0.71 0.00 -0.02 0.00 0.00 41.25 40.44 2dbh s ASN 49 CO 0.50 -0.08 1.80 -0.65 -2.57 0.00 0.00 177.10 176.10 2dbh h PRO 50 N 1.44 0.79 -0.01 -0.60 0.11 -1.98 0.36 132.00 132.10 2dbh h PRO 50 Ca -0.48 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.43 2dbh h PRO 50 Cb 1.24 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2dbh h PRO 50 CO 0.60 0.52 -0.68 1.49 -0.21 0.00 0.00 178.00 179.73 2dbh h GLU 51 N 0.81 0.05 0.08 1.05 4.22 -2.00 -2.87 114.58 115.92 2dbh h GLU 51 Ca 0.55 -0.04 -0.26 0.00 0.08 0.00 0.00 59.36 59.68 2dbh h GLU 51 Cb 0.79 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.06 2dbh h GLU 51 CO -0.33 0.71 -1.13 0.93 -2.18 0.00 0.00 179.01 177.00 2dbh h GLU 52 N 0.04 0.42 -0.41 1.92 5.08 -1.32 -3.27 114.58 117.05 2dbh h GLU 52 Ca -0.01 -0.56 -0.07 0.00 -1.00 0.00 0.00 59.36 57.72 2dbh h GLU 52 Cb 1.20 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 2dbh h GLU 52 CO 0.09 1.22 -0.03 -0.07 -1.00 0.00 0.00 179.01 179.22 2dbh h LEU 53 N 0.19 0.65 -1.80 1.33 3.38 -0.40 -2.41 115.31 116.25 2dbh h LEU 53 Ca -0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2dbh h LEU 53 Cb 1.81 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 2dbh h LEU 53 CO 0.20 0.74 -0.09 -0.09 0.09 0.00 0.00 178.44 179.29 2dbh h ARG 54 N 0.63 0.01 -0.03 1.13 2.43 -1.55 0.34 114.38 117.33 2dbh h ARG 54 Ca 0.12 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.15 2dbh h ARG 54 Cb 0.44 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2dbh h ARG 54 CO 0.02 0.10 -0.64 0.28 -1.51 0.00 0.00 179.97 178.22 2dbh h VAL 55 N 0.01 1.43 0.04 0.20 2.07 -1.50 -3.13 116.25 115.37 2dbh h VAL 55 Ca 0.00 -2.12 -0.30 0.00 0.82 0.00 0.00 66.70 65.10 2dbh h VAL 55 Cb 0.17 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 2dbh h VAL 55 CO 0.01 0.62 -1.68 0.40 0.02 0.00 0.00 177.57 176.94 2dbh h ILE 56 N 0.10 0.91 -0.04 4.57 2.04 -1.26 -3.34 117.51 120.49 2dbh h ILE 56 Ca -0.01 -2.70 0.01 0.00 1.00 0.00 0.00 64.86 63.16 2dbh h ILE 56 Cb 1.15 2.52 -0.00 0.00 -0.74 0.00 0.00 36.82 39.75 2dbh h ILE 56 CO 0.09 0.65 0.03 -0.33 0.00 0.00 0.00 178.15 178.59 2dbh h GLU 57 N 0.02 0.00 -0.55 2.37 5.08 -0.38 -2.23 114.58 118.89 2dbh h GLU 57 Ca -0.28 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2dbh h GLU 57 Cb 2.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.21 2dbh h GLU 57 CO 0.10 0.00 0.32 0.93 -1.00 0.00 0.00 179.01 179.36 2dbh h GLU 58 N 0.00 0.61 -6.14 2.33 4.39 -1.67 -3.40 114.58 110.70 2dbh h GLU 58 Ca 0.02 -0.04 -0.57 0.00 0.34 0.00 0.00 59.36 59.12 2dbh h GLU 58 Cb 0.07 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2dbh h GLU 58 CO -0.00 0.40 1.38 0.42 -1.16 0.00 0.00 179.01 180.06 2dbh s ILE 59 N -6.13 3.04 0.09 3.13 1.01 -0.84 -4.88 121.20 116.62 2dbh s ILE 59 Ca -0.13 0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.42 2dbh s ILE 59 Cb 0.14 -3.04 -0.12 0.00 0.01 0.00 0.00 42.46 39.44 2dbh s ILE 59 CO 0.74 -0.02 1.35 1.55 0.00 0.00 0.00 174.94 178.57 2dbh h PRO 60 N 13.24 0.71 -7.15 2.79 0.13 -1.87 -3.46 132.00 136.40 2dbh h PRO 60 Ca -0.44 -0.47 -0.42 0.00 -0.87 0.00 0.00 66.00 63.80 2dbh h PRO 60 Cb 1.24 0.06 0.21 0.00 0.13 0.00 0.00 31.00 32.64 2dbh h PRO 60 CO 0.96 1.09 -0.01 -0.65 -0.23 0.00 0.00 178.00 179.16 2dbh s GLN 61 N -4.04 -1.40 -0.18 0.86 -0.21 -1.26 -5.01 119.66 108.42 2dbh s GLN 61 Ca -0.12 0.56 -0.05 0.00 0.02 0.00 0.00 55.36 55.78 2dbh s GLN 61 Cb 0.08 -1.52 -0.09 0.00 1.00 0.00 0.00 33.01 32.48 2dbh s GLN 61 CO 0.85 -3.98 -0.20 0.00 -2.12 0.00 0.00 175.29 169.85 2dbh n ALA 62 N -5.06 1.76 0.16 6.09 0.00 -1.26 -3.96 120.51 118.23 2dbh n ALA 62 Ca 0.06 -0.72 0.09 0.00 0.00 0.00 0.00 53.44 52.86 2dbh n ALA 62 Cb 0.56 0.20 0.60 0.00 0.00 0.00 0.00 19.45 20.81 2dbh n ALA 62 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dbh h GLU 63 N -0.39 0.13 0.00 0.00 4.57 -2.00 -1.32 114.58 115.58 2dbh h GLU 63 Ca -0.43 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 57.53 2dbh h GLU 63 Cb 1.47 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.00 2dbh h GLU 63 CO -0.19 0.09 -1.14 0.22 -1.18 0.00 0.00 179.01 176.81 2dbh h ASP 64 N 0.13 0.00 -0.70 1.04 3.58 -1.99 -3.32 116.42 115.16 2dbh h ASP 64 Ca 0.08 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.56 2dbh h ASP 64 Cb 0.14 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 2dbh h ASP 64 CO -0.01 0.90 0.43 0.11 -2.88 0.00 0.00 179.24 177.80 2dbh h LYS 65 N 0.00 0.81 -0.10 0.28 1.57 -1.37 -1.58 116.57 116.18 2dbh h LYS 65 Ca -0.09 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 2dbh h LYS 65 Cb 1.77 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 2dbh h LYS 65 CO 0.10 0.54 -0.20 1.25 -0.57 0.00 0.00 179.45 180.57 2dbh h LEU 66 N 0.84 0.17 -1.76 2.94 5.85 -1.63 -2.36 115.31 119.35 2dbh h LEU 66 Ca 0.29 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2dbh h LEU 66 Cb 0.05 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2dbh h LEU 66 CO -0.12 0.38 0.14 -0.78 -0.34 0.00 0.00 178.44 177.72 2dbh h ASP 67 N 0.16 0.26 0.90 1.25 3.58 -1.39 -1.66 116.42 119.53 2dbh h ASP 67 Ca 0.03 -0.01 -0.21 0.00 0.42 0.00 0.00 57.03 57.26 2dbh h ASP 67 Cb 0.45 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2dbh h ASP 67 CO 0.03 0.20 -0.98 -0.09 -2.88 0.00 0.00 179.24 175.52 2dbh h ARG 68 N 0.31 0.04 -0.43 0.28 9.65 -1.31 -3.09 114.38 119.82 2dbh h ARG 68 Ca 0.08 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 2dbh h ARG 68 Cb -0.02 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 2dbh h ARG 68 CO -0.02 0.98 0.29 1.25 2.80 0.00 0.00 179.97 185.27 2dbh h LEU 69 N 0.01 0.48 0.00 3.80 5.85 -1.14 -1.57 115.31 122.75 2dbh h LEU 69 Ca -0.02 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.49 2dbh h LEU 69 Cb 1.71 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 2dbh h LEU 69 CO 0.13 0.34 -1.02 -0.26 -0.34 0.00 0.00 178.44 177.30 2dbh h PHE 70 N 0.56 0.00 -0.16 1.25 -1.00 -1.56 -2.07 116.94 113.97 2dbh h PHE 70 Ca 0.16 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.82 2dbh h PHE 70 Cb -0.04 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 2dbh h PHE 70 CO -0.00 0.85 -0.42 1.49 -1.61 0.00 0.00 178.31 178.62 2dbh h GLU 71 N 0.00 0.36 0.00 1.51 4.22 -1.24 0.51 114.58 119.94 2dbh h GLU 71 Ca -0.06 -0.18 -0.11 0.00 0.08 0.00 0.00 59.36 59.09 2dbh h GLU 71 Cb 1.70 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.94 2dbh h GLU 71 CO 0.10 0.72 -0.71 0.82 -2.18 0.00 0.00 179.01 177.77 2dbh h ILE 72 N 0.30 0.73 0.00 2.32 2.04 -1.39 -3.38 117.51 118.12 2dbh h ILE 72 Ca 0.03 -1.77 -0.09 0.00 1.00 0.00 0.00 64.86 64.02 2dbh h ILE 72 Cb 0.87 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2dbh h ILE 72 CO 0.07 0.25 -0.45 0.40 0.00 0.00 0.00 178.15 178.42 2dbh h ILE 73 N -1.00 1.25 -0.27 -0.67 2.04 -1.48 -2.94 117.51 114.44 2dbh h ILE 73 Ca -0.16 -1.58 0.08 0.00 1.00 0.00 0.00 64.86 64.20 2dbh h ILE 73 Cb 0.90 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 2dbh h ILE 73 CO -0.10 0.44 0.30 1.23 0.00 0.00 0.00 178.15 180.02 2dbh h GLY 74 N 1.49 0.00 -1.85 5.37 0.00 -0.13 -0.46 103.07 107.48 2dbh h GLY 74 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2dbh h GLY 74 CO 0.06 0.00 -0.45 3.33 0.00 0.00 0.00 176.54 179.48 2dbh n VAL 75 N -3.76 2.38 0.00 4.60 0.24 -1.11 -3.69 118.33 116.99 2dbh n VAL 75 Ca 0.04 -3.34 0.00 0.00 -2.04 0.00 0.00 64.34 58.99 2dbh n VAL 75 Cb 0.44 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 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 -1.03 0.00 -3.65 7.34 4.81 -0.18 -5.08 118.16 120.36 2dbh n LYS 76 Ca 0.28 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.63 2dbh n LYS 76 Cb 0.82 -0.20 0.02 0.00 0.02 0.00 0.00 35.03 35.69 2dbh n LYS 76 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2dbh n SER 77 N -1.92 -2.14 0.10 3.14 7.64 -1.26 -5.04 113.62 114.14 2dbh n SER 77 Ca 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 58.87 57.33 2dbh n SER 77 Cb 0.00 3.58 -0.04 0.00 -1.01 0.00 0.00 64.21 66.74 2dbh n SER 77 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2dbh h GLN 78 N 0.00 0.00 0.30 1.43 5.75 -1.95 -2.72 115.11 117.93 2dbh h GLN 78 Ca -0.32 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.17 2dbh h GLN 78 Cb 1.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.73 2dbh h GLN 78 CO 0.40 0.71 -0.15 0.93 -2.65 0.00 0.00 178.83 178.07 2dbh h GLU 79 N 0.00 -0.39 -0.01 1.69 3.07 -1.99 -1.44 114.58 115.51 2dbh h GLU 79 Ca -0.02 0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 2dbh h GLU 79 Cb 1.56 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.55 2dbh h GLU 79 CO 0.09 -0.06 -0.35 0.00 -1.40 0.00 0.00 179.01 177.29 2dbh h ALA 80 N -0.37 1.39 -0.26 3.43 0.00 -1.94 -2.64 119.26 118.87 2dbh h ALA 80 Ca -0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2dbh h ALA 80 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2dbh h ALA 80 CO 0.07 0.46 -0.19 1.03 0.00 0.00 0.00 179.25 180.61 2dbh h SER 81 N 0.02 0.62 -0.77 0.00 0.87 -1.49 -1.29 113.55 111.51 2dbh h SER 81 Ca 0.00 -0.45 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 2dbh h SER 81 Cb 0.64 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 2dbh h SER 81 CO 0.05 0.93 0.31 -0.61 -0.53 0.00 0.00 176.83 176.98 2dbh h GLN 82 N 0.31 1.14 -0.24 2.24 -0.00 -1.11 -2.70 115.11 114.75 2dbh h GLN 82 Ca 0.05 -0.20 -0.14 0.00 -0.00 0.00 0.00 58.65 58.36 2dbh h GLN 82 Cb 0.73 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 2dbh h GLN 82 CO 0.05 0.93 -0.42 1.15 0.00 0.00 0.00 178.83 180.54 2dbh h THR 83 N 1.11 1.30 -0.05 2.39 2.02 -1.44 -0.40 112.91 117.83 2dbh h THR 83 Ca 0.26 -1.60 0.02 0.00 0.77 0.00 0.00 66.41 65.86 2dbh h THR 83 Cb 0.21 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2dbh h THR 83 CO -0.02 0.50 0.05 0.25 0.37 0.00 0.00 175.52 176.67 2dbh h LEU 84 N 0.47 0.00 0.00 2.58 5.85 -0.90 0.35 115.31 123.66 2dbh h LEU 84 Ca 0.04 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.47 2dbh h LEU 84 Cb 0.93 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 2dbh h LEU 84 CO 0.08 0.00 -1.67 0.18 -0.34 0.00 0.00 178.44 176.69 2dbh n LEU 85 N -4.21 1.90 -0.36 2.25 4.77 -1.09 -3.99 117.00 116.27 2dbh n LEU 85 Ca -0.02 0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 56.35 2dbh n LEU 85 Cb 0.14 -0.89 0.11 0.00 -2.33 0.00 0.00 43.42 40.45 2dbh n LEU 85 CO 0.31 0.30 1.27 0.44 -1.33 0.00 0.00 177.39 178.38 2dbh h ASP 86 N -1.00 1.08 -0.53 -1.43 5.19 -0.99 -1.91 116.42 116.83 2dbh h ASP 86 Ca -0.44 -0.02 0.01 0.00 -0.62 0.00 0.00 57.03 55.96 2dbh h ASP 86 Cb 1.34 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 2dbh h ASP 86 CO -0.27 0.77 0.35 -1.28 -3.12 0.00 0.00 179.24 175.69 2dbh h SER 87 N 1.26 0.58 0.41 6.45 0.87 -0.51 0.84 113.55 123.47 2dbh h SER 87 Ca 0.36 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 2dbh h SER 87 Cb -0.10 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2dbh h SER 87 CO -0.09 0.42 -0.19 0.58 -0.53 0.00 0.00 176.83 177.02 2dbh h VAL 88 N 0.68 0.77 0.00 2.23 2.07 -1.48 -0.10 116.25 120.42 2dbh h VAL 88 Ca 0.20 -0.76 -0.17 0.00 0.82 0.00 0.00 66.70 66.79 2dbh h VAL 88 Cb -0.03 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2dbh h VAL 88 CO -0.05 0.19 -2.08 -1.22 0.02 0.00 0.00 177.57 174.43 2dbh n TYR 89 N -3.78 0.00 0.10 1.57 4.01 -0.41 -3.47 117.16 115.20 2dbh n TYR 89 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 2dbh n TYR 89 Cb 0.29 -0.68 -0.13 0.00 -0.31 0.00 0.00 39.34 38.51 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 0.83 0.39 7.72 0.87 0.81 -3.35 113.55 120.82 2dbh h SER 90 Ca -0.26 -0.79 -0.32 0.00 -1.23 0.00 0.00 61.79 59.20 2dbh h SER 90 Cb 1.53 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2dbh h SER 90 CO 0.01 1.59 -1.52 0.45 -0.53 0.00 0.00 176.83 176.84 2dbh h HIS 91 N 0.24 0.62 -3.63 2.24 3.86 -1.23 -3.41 115.15 113.85 2dbh h HIS 91 Ca -0.19 -0.46 -0.74 0.00 -1.16 0.00 0.00 60.37 57.82 2dbh h HIS 91 Cb 1.95 -0.02 -0.31 0.00 1.06 0.00 0.00 27.41 30.09 2dbh h HIS 91 CO 0.11 1.46 -0.07 -0.51 0.86 0.00 0.00 177.93 179.78 2dbh s LEU 92 N -7.20 5.99 0.34 2.43 1.43 -1.23 -4.89 118.68 115.55 2dbh s LEU 92 Ca -0.10 -2.98 0.15 0.00 -1.03 0.00 0.00 54.13 50.17 2dbh s LEU 92 Cb 0.06 -2.03 0.57 0.00 0.03 0.00 0.00 46.19 44.82 2dbh s LEU 92 CO 0.88 -0.41 1.70 1.55 0.23 0.00 0.00 176.35 180.30 2dbh h PRO 93 N 7.15 0.00 0.00 1.29 0.13 -1.80 -3.01 132.00 135.76 2dbh h PRO 93 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 2dbh h PRO 93 Cb 0.96 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 2dbh h PRO 93 CO 0.77 0.47 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.54 2dbh h ASP 94 N 0.00 0.00 -0.63 1.44 5.19 -1.91 -1.80 116.42 118.71 2dbh h ASP 94 Ca -0.00 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.48 2dbh h ASP 94 Cb 0.93 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.41 2dbh h ASP 94 CO 0.06 0.03 0.42 -0.07 -3.12 0.00 0.00 179.24 176.56 2dbh h LEU 95 N 0.00 0.49 -6.33 1.55 3.38 -1.88 -3.29 115.31 109.23 2dbh h LEU 95 Ca -0.00 0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.39 2dbh h LEU 95 Cb 0.05 -0.10 -0.39 0.00 0.09 0.00 0.00 40.66 40.32 2dbh h LEU 95 CO 0.00 0.31 -0.96 0.18 0.09 0.00 0.00 178.44 178.06 2dbh n LEU 96 N -4.48 0.15 -4.40 1.67 4.77 -0.68 -5.04 117.00 108.99 2dbh n LEU 96 Ca 0.09 -4.57 -0.45 0.00 -0.03 0.00 0.00 56.01 51.06 2dbh n LEU 96 Cb 0.29 0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 2dbh n LEU 96 CO 0.34 1.91 0.89 -0.44 -1.33 0.00 0.00 177.39 178.76 2dbh s SER 97 N -0.49 6.86 1.68 -1.43 0.01 -1.19 -4.94 113.70 114.21 2dbh s SER 97 Ca 0.33 -2.64 0.00 0.00 1.31 0.00 0.00 55.95 54.95 2dbh s SER 97 Cb 0.07 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2dbh s SER 97 CO -0.17 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.34 2dbh n GLY 98 N 4.39 1.71 3.15 3.44 0.00 -1.26 -4.81 105.19 111.81 2dbh n GLY 98 Ca 0.24 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 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 1.66 -2.57 -4.10 1.61 -0.02 -1.26 -5.05 135.00 125.26 2dbh n PRO 99 Ca 0.00 -0.75 -0.08 0.00 -2.02 0.00 0.00 63.50 60.65 2dbh n PRO 99 Cb 0.00 -1.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.15 0.66 -0.30 2.55 1.04 -1.26 -4.95 113.70 109.29 2dbh s SER 100 Ca 0.49 -0.95 -0.09 0.00 0.48 0.00 0.00 55.95 55.88 2dbh s SER 100 Cb -0.10 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 2dbh s SER 100 CO 0.49 -0.53 0.14 -0.55 0.98 0.00 0.00 173.24 173.77 2dbh s SER 101 N -2.82 5.48 0.00 7.02 0.15 -1.26 -5.20 113.70 117.07 2dbh s SER 101 Ca 0.06 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2dbh s SER 101 Cb 0.06 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 2dbh s SER 101 CO -0.08 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.81