#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djw h THR 3 N 0.00 1.24 -0.63 2.12 2.02 -2.04 -0.60 112.91 115.01 3djw h THR 3 Ca 0.00 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.64 3djw h THR 3 Cb 0.00 -0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.17 3djw h THR 3 CO 0.00 0.24 0.06 -0.74 0.37 0.00 0.00 175.52 175.46 3djw h HIS 4 N 1.33 1.15 0.00 3.16 6.17 -2.01 -1.43 115.15 123.53 3djw h HIS 4 Ca 0.37 -0.17 -0.13 0.00 0.71 0.00 0.00 60.37 61.15 3djw h HIS 4 Cb -0.12 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 29.48 3djw h HIS 4 CO -0.00 0.98 -0.62 0.93 0.71 0.00 0.00 177.93 179.93 3djw h GLU 5 N 0.99 0.00 -0.52 5.26 5.08 -1.88 -0.98 114.58 122.53 3djw h GLU 5 Ca 0.19 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3djw h GLU 5 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3djw h GLU 5 CO 0.02 0.62 0.17 0.35 -1.00 0.00 0.00 179.01 179.17 3djw h PHE 6 N 0.00 0.83 -0.14 4.33 3.57 -0.79 -2.05 116.94 122.68 3djw h PHE 6 Ca -0.01 -0.08 -0.15 0.00 3.53 0.00 0.00 57.97 61.26 3djw h PHE 6 Cb 1.23 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3djw h PHE 6 CO 0.00 0.70 -0.56 0.45 -2.23 0.00 0.00 178.31 176.68 3djw h HIS 7 N 0.71 0.53 -0.33 0.41 3.86 -1.06 -1.64 115.15 117.63 3djw h HIS 7 Ca 0.17 -0.19 0.07 0.00 -1.16 0.00 0.00 60.37 59.26 3djw h HIS 7 Cb 0.26 -0.10 -0.07 0.00 1.06 0.00 0.00 27.41 28.56 3djw h HIS 7 CO 0.01 0.88 -0.15 0.87 0.86 0.00 0.00 177.93 180.41 3djw h LYS 8 N 0.32 -0.08 -0.01 2.45 1.57 -1.10 -1.41 116.57 118.31 3djw h LYS 8 Ca 0.00 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3djw h LYS 8 Cb 1.07 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3djw h LYS 8 CO 0.10 -0.06 -0.05 1.25 -0.57 0.00 0.00 179.45 180.13 3djw h LEU 9 N -0.09 -0.13 -0.63 2.94 6.46 -1.01 -1.72 115.31 121.13 3djw h LEU 9 Ca 0.17 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 58.06 3djw h LEU 9 Cb 0.34 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.25 3djw h LEU 9 CO -0.39 -0.07 0.20 -0.07 -0.62 0.00 0.00 178.44 177.49 3djw h LEU 10 N -0.08 0.14 -0.30 2.25 3.38 -1.01 0.11 115.31 119.81 3djw h LEU 10 Ca 0.02 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3djw h LEU 10 Cb 0.11 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3djw h LEU 10 CO -0.05 0.08 0.12 0.40 0.09 0.00 0.00 178.44 179.08 3djw h ILE 11 N 0.35 0.95 -0.66 1.22 2.04 -0.57 -2.49 117.51 118.35 3djw h ILE 11 Ca 0.33 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 66.03 3djw h ILE 11 Cb 0.46 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3djw h ILE 11 CO -0.36 0.05 0.17 0.50 0.00 0.00 0.00 178.15 178.50 3djw h LYS 12 N 0.27 1.06 -0.61 2.37 3.64 -0.46 -1.84 116.57 121.00 3djw h LYS 12 Ca 0.13 -0.25 0.13 0.00 -1.27 0.00 0.00 60.65 59.38 3djw h LYS 12 Cb 0.07 -0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 31.64 3djw h LYS 12 CO -0.11 0.95 -0.07 0.28 -2.27 0.00 0.00 179.45 178.23 3djw h VAL 13 N 0.99 0.44 -0.84 2.00 2.07 -0.42 0.23 116.25 120.72 3djw h VAL 13 Ca 0.21 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 3djw h VAL 13 Cb 0.36 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3djw h VAL 13 CO 0.00 0.01 0.50 0.58 0.02 0.00 0.00 177.57 178.68 3djw h VAL 14 N 0.06 1.24 -0.25 2.57 2.07 -0.96 -1.92 116.25 119.05 3djw h VAL 14 Ca 0.31 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 3djw h VAL 14 Cb 0.49 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3djw h VAL 14 CO -0.57 0.25 -0.28 -0.78 0.02 0.00 0.00 177.57 176.21 3djw h ASP 15 N 1.15 0.51 0.37 0.57 3.58 0.09 -0.08 116.42 122.62 3djw h ASP 15 Ca 0.30 -0.18 -0.11 0.00 0.42 0.00 0.00 57.03 57.46 3djw h ASP 15 Cb -0.03 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 3djw h ASP 15 CO -0.06 0.78 -0.46 -0.07 -2.88 0.00 0.00 179.24 176.55 3djw h LEU 16 N 0.44 0.12 -0.44 2.28 3.38 -0.42 -0.84 115.31 119.84 3djw h LEU 16 Ca 0.06 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3djw h LEU 16 Cb 0.71 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3djw h LEU 16 CO 0.05 0.57 -0.38 0.15 0.09 0.00 0.00 178.44 178.93 3djw h PHE 17 N 0.10 1.07 0.00 1.13 3.57 -0.65 0.98 116.94 123.13 3djw h PHE 17 Ca 0.00 -0.31 -0.06 0.00 3.53 0.00 0.00 57.97 61.13 3djw h PHE 17 Cb 0.86 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3djw h PHE 17 CO 0.01 1.13 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.84 3djw h LEU 18 N 0.73 0.00 -0.19 0.59 3.38 -0.55 -1.12 115.31 118.16 3djw h LEU 18 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3djw h LEU 18 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3djw h LEU 18 CO 0.09 0.31 -0.19 -0.62 0.09 0.00 0.00 178.44 178.12 3djw n GLU 19 N -3.60 0.46 -1.52 1.13 1.02 -0.36 -4.92 120.64 112.84 3djw n GLU 19 Ca -0.01 -0.19 -0.15 0.00 -0.02 0.00 0.00 57.16 56.79 3djw n GLU 19 Cb 0.43 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.30 3djw n GLU 19 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3djw n ASP 20 N -1.10 -4.84 0.09 1.62 2.03 -0.42 -4.87 116.55 109.05 3djw n ASP 20 Ca 0.11 0.35 -0.16 0.00 0.52 0.00 0.00 54.79 55.61 3djw n ASP 20 Cb 0.31 -3.73 -0.09 0.00 -0.72 0.00 0.00 41.12 36.89 3djw n ASP 20 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3djw h ARG 21 N 0.00 0.38 -4.93 -0.67 2.47 -1.11 -3.39 114.38 107.13 3djw h ARG 21 Ca -0.32 -0.51 -0.64 0.00 -1.26 0.00 0.00 59.98 57.25 3djw h ARG 21 Cb 1.03 0.17 -0.17 0.00 -1.65 0.00 0.00 29.97 29.35 3djw h ARG 21 CO 0.46 1.19 -0.50 0.42 0.56 0.00 0.00 179.97 182.10 3djw s ILE 22 N -2.98 5.31 -0.02 2.04 1.01 -0.41 -4.98 121.20 121.18 3djw s ILE 22 Ca -0.06 0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.55 3djw s ILE 22 Cb 0.08 -3.53 -0.17 0.00 0.01 0.00 0.00 42.46 38.85 3djw s ILE 22 CO 0.88 0.26 1.11 0.11 0.00 0.00 0.00 174.94 177.30 3djw h LYS 23 N 8.27 -0.29 -3.01 2.79 1.79 -1.87 -3.36 116.57 120.90 3djw h LYS 23 Ca -0.35 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.08 3djw h LYS 23 Cb 1.19 0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 31.75 3djw h LYS 23 CO 0.57 0.08 -0.00 -1.83 -1.08 0.00 0.00 179.45 177.18 3djw s GLU 24 N -4.19 1.04 0.06 3.15 -1.05 -1.26 -4.66 118.70 111.79 3djw s GLU 24 Ca -0.14 -0.41 -0.11 0.00 -0.15 0.00 0.00 54.97 54.16 3djw s GLU 24 Cb 0.02 0.47 0.01 0.00 -0.44 0.00 0.00 34.13 34.19 3djw s GLU 24 CO 0.53 -0.39 0.24 -0.59 0.95 0.00 0.00 175.26 176.00 3djw s PHE 25 N -2.94 0.00 -0.08 4.83 -0.12 -0.94 -4.97 117.98 113.76 3djw s PHE 25 Ca -0.02 -0.24 0.00 0.00 -0.05 0.00 0.00 56.93 56.61 3djw s PHE 25 Cb -0.00 0.02 0.02 0.00 -0.63 0.00 0.00 43.02 42.44 3djw s PHE 25 CO -0.06 -0.49 -0.07 -1.21 -0.05 0.00 0.00 175.22 173.34 3djw s GLU 26 N -2.90 1.26 -0.10 1.99 2.02 -1.26 -0.31 118.70 119.40 3djw s GLU 26 Ca -0.03 -0.19 0.03 0.00 0.02 0.00 0.00 54.97 54.81 3djw s GLU 26 Cb 0.00 -1.29 -0.01 0.00 0.10 0.00 0.00 34.13 32.94 3djw s GLU 26 CO -0.06 -0.18 -0.21 -0.51 0.02 0.00 0.00 175.26 174.33 3djw s LEU 27 N 1.38 2.26 -0.27 1.80 1.43 0.30 -4.98 118.68 120.61 3djw s LEU 27 Ca -0.02 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.55 3djw s LEU 27 Cb -0.14 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.64 3djw s LEU 27 CO -0.04 0.18 0.01 -0.75 0.23 0.00 0.00 176.35 175.99 3djw s LYS 28 N 0.23 3.02 0.22 1.70 2.20 -1.26 -0.29 119.74 125.56 3djw s LYS 28 Ca -0.14 -0.88 0.03 0.00 -0.36 0.00 0.00 55.97 54.62 3djw s LYS 28 Cb -0.17 -3.19 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 3djw s LYS 28 CO 0.07 -0.40 0.10 1.28 -0.36 0.00 0.00 175.35 176.04 3djw n LEU 29 N 4.78 0.00 0.00 5.43 4.77 -0.25 -4.97 117.00 126.76 3djw n LEU 29 Ca -0.16 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.07 3djw n LEU 29 Cb 0.48 0.64 0.00 0.00 -2.33 0.00 0.00 43.42 42.21 3djw n LEU 29 CO 0.29 -0.27 0.00 -3.20 -1.33 0.00 0.00 177.39 172.88 3djw n ASN 30 N -1.85 0.00 -4.77 -1.43 2.85 -1.20 -4.33 115.26 104.54 3djw n ASN 30 Ca -0.02 -0.14 -0.31 0.00 -0.11 0.00 0.00 54.58 53.99 3djw n ASN 30 Cb 0.34 0.03 0.09 0.00 1.24 0.00 0.00 39.78 41.48 3djw n ASN 30 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3djw s THR 31 N -0.03 3.27 -0.14 -0.44 -1.32 -1.23 -4.73 115.64 111.01 3djw s THR 31 Ca 0.00 0.44 -0.01 0.00 -1.21 0.00 0.00 61.69 60.92 3djw s THR 31 Cb 0.00 -2.92 -0.01 0.00 -1.51 0.00 0.00 72.50 68.05 3djw s THR 31 CO 0.00 -0.51 -0.12 -0.89 -2.21 0.00 0.00 174.62 170.90 3djw s THR 32 N -2.79 3.12 0.14 5.08 2.01 -1.26 -0.54 115.64 121.40 3djw s THR 32 Ca 0.62 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 62.07 3djw s THR 32 Cb -0.18 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 3djw s THR 32 CO 0.53 0.51 -0.06 -0.76 -0.69 0.00 0.00 174.62 174.16 3djw s LEU 33 N 0.51 3.15 0.61 4.42 1.43 0.12 -4.91 118.68 124.01 3djw s LEU 33 Ca -0.08 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3djw s LEU 33 Cb -0.15 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.25 3djw s LEU 33 CO 0.04 0.13 0.86 1.51 0.23 0.00 0.00 176.35 179.12 3djw s ASP 34 N -2.60 5.04 0.14 2.29 1.47 -1.26 -0.42 116.67 121.33 3djw s ASP 34 Ca 0.24 0.05 -0.20 0.00 1.18 0.00 0.00 52.55 53.83 3djw s ASP 34 Cb -0.10 -0.81 0.01 0.00 -0.34 0.00 0.00 42.92 41.68 3djw s ASP 34 CO 0.16 -1.35 1.68 -0.08 0.68 0.00 0.00 175.17 176.26 3djw h GLU 35 N -0.17 -0.07 -0.69 2.11 4.81 -1.88 -0.52 114.58 118.17 3djw h GLU 35 Ca -0.42 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 58.94 3djw h GLU 35 Cb 1.30 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.61 3djw h GLU 35 CO 0.52 -0.05 0.25 -0.07 -0.73 0.00 0.00 179.01 178.94 3djw h LEU 36 N -0.07 0.22 0.01 1.64 3.38 -1.95 0.19 115.31 118.73 3djw h LEU 36 Ca 0.12 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3djw h LEU 36 Cb 0.26 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3djw h LEU 36 CO -0.28 0.10 -0.01 -0.33 0.09 0.00 0.00 178.44 178.01 3djw h GLU 37 N 0.41 -0.02 -0.42 1.13 5.08 -1.73 -1.93 114.58 117.10 3djw h GLU 37 Ca 0.37 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 3djw h GLU 37 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 3djw h GLU 37 CO -0.38 0.27 0.21 0.35 -1.00 0.00 0.00 179.01 178.46 3djw h PHE 38 N -0.30 0.39 -0.40 4.33 3.57 -0.23 -0.06 116.94 124.25 3djw h PHE 38 Ca -0.00 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3djw h PHE 38 Cb 0.29 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3djw h PHE 38 CO 0.02 0.20 -0.13 0.93 -2.23 0.00 0.00 178.31 177.10 3djw h GLU 39 N 0.43 0.71 -0.20 1.11 5.08 -0.69 -2.91 114.58 118.11 3djw h GLU 39 Ca 0.18 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 3djw h GLU 39 Cb 0.09 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3djw h GLU 39 CO -0.13 0.81 -0.47 0.93 -1.00 0.00 0.00 179.01 179.16 3djw h GLU 40 N 0.64 0.53 -0.77 2.33 4.39 -0.89 -2.55 114.58 118.26 3djw h GLU 40 Ca 0.11 -0.29 0.16 0.00 0.34 0.00 0.00 59.36 59.67 3djw h GLU 40 Cb 0.59 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 3djw h GLU 40 CO 0.04 0.88 0.51 1.25 -1.16 0.00 0.00 179.01 180.54 3djw h LEU 41 N 0.42 0.38 0.00 1.33 5.85 -0.83 -2.92 115.31 119.55 3djw h LEU 41 Ca 0.03 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 3djw h LEU 41 Cb 0.98 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 3djw h LEU 41 CO 0.09 0.19 -1.01 0.40 -0.34 0.00 0.00 178.44 177.77 3djw h ILE 42 N 0.40 1.03 0.00 4.05 2.04 -1.31 -3.47 117.51 120.26 3djw h ILE 42 Ca 0.38 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.65 3djw h ILE 42 Cb 0.90 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3djw h ILE 42 CO -0.12 0.59 0.00 0.61 0.00 0.00 0.00 178.15 179.23 3djw n GLY 43 N 1.34 0.70 3.04 5.37 0.00 -1.11 -4.38 105.19 110.15 3djw n GLY 43 Ca -0.04 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 3djw n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djw s LYS 44 N 0.00 1.63 1.02 1.61 -0.14 -1.26 -4.92 119.74 117.68 3djw s LYS 44 Ca 0.00 -1.81 -0.15 0.00 -1.36 0.00 0.00 55.97 52.65 3djw s LYS 44 Cb 0.00 -3.22 0.20 0.00 -1.68 0.00 0.00 37.83 33.13 3djw s LYS 44 CO 0.00 -0.91 1.14 -1.25 -0.76 0.00 0.00 175.35 173.56 3djw s PRO 45 N 0.95 0.23 -0.01 -1.68 0.04 -1.26 -4.95 135.00 128.31 3djw s PRO 45 Ca 0.08 0.18 0.20 0.00 0.04 0.00 0.00 61.00 61.51 3djw s PRO 45 Cb -0.20 -1.74 -0.27 0.00 0.04 0.00 0.00 34.50 32.33 3djw s PRO 45 CO -0.07 -2.80 0.64 -0.25 0.04 0.00 0.00 177.00 174.57 3djw n ASP 46 N -4.16 0.60 -3.62 6.66 8.00 0.24 -4.98 116.55 119.29 3djw n ASP 46 Ca 0.09 -0.47 -0.11 0.00 0.71 0.00 0.00 54.79 55.01 3djw n ASP 46 Cb 0.59 1.49 -0.07 0.00 -0.02 0.00 0.00 41.12 43.11 3djw n ASP 46 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3djw s SER 47 N -3.67 -0.51 0.07 -2.24 1.04 -1.23 -5.00 113.70 102.18 3djw s SER 47 Ca -0.00 0.90 0.07 0.00 0.48 0.00 0.00 55.95 57.40 3djw s SER 47 Cb 0.14 0.89 -0.03 0.00 0.10 0.00 0.00 66.02 67.12 3djw s SER 47 CO 0.84 -0.22 -0.20 -0.44 0.98 0.00 0.00 173.24 174.20 3djw s SER 48 N -0.02 2.35 -0.01 7.02 0.01 -1.26 -1.46 113.70 120.33 3djw s SER 48 Ca 0.01 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 56.70 3djw s SER 48 Cb -0.04 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 3djw s SER 48 CO -0.03 0.08 -0.11 0.20 0.41 0.00 0.00 173.24 173.79 3djw s ASN 49 N -1.58 1.33 -0.06 2.44 0.01 -0.46 -4.98 114.94 111.65 3djw s ASN 49 Ca 0.06 -0.21 0.05 0.00 -0.71 0.00 0.00 52.86 52.05 3djw s ASN 49 Cb -0.09 -0.21 -0.01 0.00 0.41 0.00 0.00 41.25 41.35 3djw s ASN 49 CO 0.03 0.12 -0.22 -0.44 -1.51 0.00 0.00 177.10 175.08 3djw s SER 50 N -0.14 2.76 0.02 -1.22 0.01 -1.26 -0.85 113.70 113.01 3djw s SER 50 Ca 0.02 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 56.87 3djw s SER 50 Cb -0.06 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.35 3djw s SER 50 CO -0.00 0.21 -0.14 0.00 0.41 0.00 0.00 173.24 173.72 3djw s ALA 51 N -0.05 1.16 -0.01 1.44 0.00 -0.29 -4.99 121.76 119.03 3djw s ALA 51 Ca -0.05 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3djw s ALA 51 Cb -0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 3djw s ALA 51 CO 0.04 0.25 -0.04 -2.00 0.00 0.00 0.00 175.76 174.00 3djw s GLU 52 N -0.74 0.41 -0.23 0.00 2.12 -1.26 0.00 118.70 118.99 3djw s GLU 52 Ca 0.03 -0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.17 3djw s GLU 52 Cb -0.07 -0.41 0.12 0.00 0.26 0.00 0.00 34.13 34.04 3djw s GLU 52 CO 0.00 0.08 0.42 1.21 -0.54 0.00 0.00 175.26 176.43 3djw s ASN 53 N 0.01 -0.14 -1.40 -1.70 2.47 -0.22 -4.94 114.94 109.02 3djw s ASN 53 Ca 0.00 0.63 -0.03 0.00 0.42 0.00 0.00 52.86 53.89 3djw s ASN 53 Cb -0.03 1.34 0.02 0.00 -1.45 0.00 0.00 41.25 41.13 3djw s ASN 53 CO -0.00 -0.27 0.61 0.59 -3.72 0.00 0.00 177.10 174.31 3djw n ASN 54 N 5.38 -1.28 0.00 -4.21 3.02 -1.26 -1.83 115.26 115.08 3djw n ASN 54 Ca -0.06 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 3djw n ASN 54 Cb 0.50 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 3djw n ASN 54 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3djw n GLY 55 N -1.76 2.62 3.73 7.41 0.00 -1.26 -5.00 105.19 110.93 3djw n GLY 55 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3djw n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djw s ILE 56 N -3.12 5.29 -0.14 -0.61 -1.09 -0.76 -4.63 121.20 116.13 3djw s ILE 56 Ca 0.00 0.14 -0.07 0.00 -2.23 0.00 0.00 60.65 58.49 3djw s ILE 56 Cb 0.00 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 3djw s ILE 56 CO 0.00 0.47 0.10 -0.36 -1.23 0.00 0.00 174.94 173.92 3djw s PHE 57 N 0.14 3.42 -0.22 3.97 0.08 0.03 -1.06 117.98 124.34 3djw s PHE 57 Ca 0.08 0.34 0.02 0.00 0.12 0.00 0.00 56.93 57.49 3djw s PHE 57 Cb -0.11 -1.99 0.05 0.00 -0.57 0.00 0.00 43.02 40.39 3djw s PHE 57 CO -0.01 0.48 -0.11 0.42 -0.10 0.00 0.00 175.22 175.90 3djw s ILE 58 N -0.42 1.85 -0.04 0.64 1.01 0.10 -1.54 121.20 122.80 3djw s ILE 58 Ca 0.11 -1.21 -0.10 0.00 0.00 0.00 0.00 60.65 59.45 3djw s ILE 58 Cb -0.12 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 3djw s ILE 58 CO 0.02 0.14 0.28 -1.81 0.00 0.00 0.00 174.94 173.56 3djw s ASP 59 N 1.29 6.58 -0.16 3.58 1.01 -0.42 -1.14 116.67 127.41 3djw s ASP 59 Ca -0.03 0.69 0.00 0.00 0.71 0.00 0.00 52.55 53.92 3djw s ASP 59 Cb -0.17 -2.15 0.03 0.00 1.01 0.00 0.00 42.92 41.64 3djw s ASP 59 CO -0.08 0.34 -0.13 -0.70 0.21 0.00 0.00 175.17 174.81 3djw s GLU 60 N -1.22 2.20 -0.06 8.23 2.12 -0.03 -1.32 118.70 128.62 3djw s GLU 60 Ca 0.21 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.95 3djw s GLU 60 Cb -0.14 -2.18 -0.02 0.00 0.26 0.00 0.00 34.13 32.04 3djw s GLU 60 CO 0.10 -0.29 -0.16 0.71 -0.54 0.00 0.00 175.26 175.08 3djw s TYR 61 N 1.47 2.66 -0.06 5.30 2.02 0.51 -1.36 117.35 127.89 3djw s TYR 61 Ca 0.03 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.48 3djw s TYR 61 Cb -0.14 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.76 3djw s TYR 61 CO -0.10 0.09 -0.13 -1.12 -1.57 0.00 0.00 175.55 172.72 3djw s SER 62 N -0.56 4.14 -0.07 2.29 0.01 -0.53 -0.34 113.70 118.65 3djw s SER 62 Ca 0.08 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.17 3djw s SER 62 Cb -0.11 -0.96 0.02 0.00 0.21 0.00 0.00 66.02 65.18 3djw s SER 62 CO 0.01 0.34 -0.04 -0.31 0.41 0.00 0.00 173.24 173.65 3djw s TYR 63 N -0.67 0.89 0.06 2.43 2.02 0.12 0.80 117.35 123.00 3djw s TYR 63 Ca 0.10 -0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.19 3djw s TYR 63 Cb -0.11 -0.84 -0.05 0.00 -0.40 0.00 0.00 41.96 40.56 3djw s TYR 63 CO 0.01 -0.30 1.16 -0.51 -1.57 0.00 0.00 175.55 174.34 3djw s ASP 64 N 1.41 7.14 0.15 2.29 1.11 -1.26 0.64 116.67 128.15 3djw s ASP 64 Ca -0.03 1.96 0.01 0.00 0.18 0.00 0.00 52.55 54.68 3djw s ASP 64 Cb -0.13 -2.58 -0.00 0.00 1.07 0.00 0.00 42.92 41.27 3djw s ASP 64 CO -0.03 -0.42 0.04 0.00 1.18 0.00 0.00 175.17 175.95 3djw n ALA 65 N 3.81 0.20 -1.60 5.23 0.00 -0.50 -4.90 120.51 122.74 3djw n ALA 65 Ca 0.08 -0.76 -0.57 0.00 0.00 0.00 0.00 53.44 52.19 3djw n ALA 65 Cb 0.47 0.50 -0.07 0.00 0.00 0.00 0.00 19.45 20.35 3djw n ALA 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3djw n SER 66 N -1.74 1.26 -4.77 0.00 3.41 -1.26 -4.30 113.62 106.22 3djw n SER 66 Ca -0.03 1.13 -0.38 0.00 -0.26 0.00 0.00 58.87 59.33 3djw n SER 66 Cb 0.22 -1.07 -0.01 0.00 -0.26 0.00 0.00 64.21 63.09 3djw n SER 66 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3djw s GLU 67 N 1.18 3.88 -0.14 4.33 2.12 -1.26 -0.26 118.70 128.54 3djw s GLU 67 Ca 0.91 1.87 0.06 0.00 0.36 0.00 0.00 54.97 58.17 3djw s GLU 67 Cb -1.12 -2.55 0.39 0.00 0.26 0.00 0.00 34.13 31.10 3djw s GLU 67 CO 0.57 -0.48 1.20 -1.71 -0.54 0.00 0.00 175.26 174.30 3djw n ASN 68 N -0.21 3.36 -4.66 -1.70 5.15 -1.26 -5.09 115.26 110.85 3djw n ASN 68 Ca 0.06 -2.54 -0.42 0.00 -0.60 0.00 0.00 54.58 51.07 3djw n ASN 68 Cb 0.47 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 39.08 3djw n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3djw s ALA 69 N -1.81 3.61 -0.02 5.20 0.00 0.64 -4.22 121.76 125.17 3djw s ALA 69 Ca 0.27 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.40 3djw s ALA 69 Cb 0.21 -3.78 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3djw s ALA 69 CO 0.07 -1.43 -0.20 0.42 0.00 0.00 0.00 175.76 174.62 3djw s ILE 70 N 4.02 1.61 -0.06 0.00 1.01 0.24 -1.41 121.20 126.61 3djw s ILE 70 Ca 0.79 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 3djw s ILE 70 Cb -0.37 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 3djw s ILE 70 CO 0.34 0.45 0.26 -0.54 0.00 0.00 0.00 174.94 175.45 3djw s LYS 71 N -0.44 3.64 -0.06 2.79 -0.14 0.21 -0.88 119.74 124.86 3djw s LYS 71 Ca 0.07 0.08 0.03 0.00 -1.36 0.00 0.00 55.97 54.79 3djw s LYS 71 Cb -0.08 -3.18 0.01 0.00 -1.68 0.00 0.00 37.83 32.89 3djw s LYS 71 CO -0.01 0.73 -0.13 0.15 -0.76 0.00 0.00 175.35 175.33 3djw s LYS 72 N -1.16 1.64 -0.15 1.68 1.02 0.27 0.12 119.74 123.17 3djw s LYS 72 Ca 0.20 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.77 3djw s LYS 72 Cb -0.14 -1.38 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 3djw s LYS 72 CO 0.09 0.08 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.24 3djw s LEU 73 N 0.49 2.29 -0.21 3.17 2.96 0.54 -0.55 118.68 127.37 3djw s LEU 73 Ca -0.11 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.21 3djw s LEU 73 Cb -0.14 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 3djw s LEU 73 CO 0.03 0.09 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.78 3djw s PHE 74 N 0.79 3.01 -0.18 5.38 0.08 0.20 -0.36 117.98 126.90 3djw s PHE 74 Ca -0.07 -0.64 -0.00 0.00 0.12 0.00 0.00 56.93 56.34 3djw s PHE 74 Cb -0.16 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.19 3djw s PHE 74 CO -0.01 -0.38 -0.16 0.08 -0.10 0.00 0.00 175.22 174.66 3djw s VAL 75 N 1.26 2.49 -0.23 -0.44 1.01 -0.44 -1.02 120.40 123.02 3djw s VAL 75 Ca 0.03 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 3djw s VAL 75 Cb -0.15 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3djw s VAL 75 CO 0.00 0.51 0.06 -0.70 0.00 0.00 0.00 175.10 174.98 3djw s GLU 76 N 1.17 3.73 0.15 2.72 2.12 -0.34 -1.30 118.70 126.95 3djw s GLU 76 Ca 0.02 -0.45 -0.17 0.00 0.36 0.00 0.00 54.97 54.73 3djw s GLU 76 Cb -0.14 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 31.00 3djw s GLU 76 CO -0.07 -0.07 0.46 1.52 -0.54 0.00 0.00 175.26 176.56 3djw s TYR 77 N 1.30 -0.18 -0.13 5.30 -0.85 -0.59 0.82 117.35 123.02 3djw s TYR 77 Ca 0.05 -0.14 0.01 0.00 -0.52 0.00 0.00 57.07 56.47 3djw s TYR 77 Cb -0.15 0.32 -0.01 0.00 0.38 0.00 0.00 41.96 42.51 3djw s TYR 77 CO 0.03 -0.79 -0.17 0.08 -1.52 0.00 0.00 175.55 173.19 3djw s VAL 78 N -3.83 2.66 0.45 -3.49 1.01 -0.57 -0.79 120.40 115.84 3djw s VAL 78 Ca 0.06 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 3djw s VAL 78 Cb 0.01 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.21 3djw s VAL 78 CO -0.08 0.53 1.35 -0.13 0.00 0.00 0.00 175.10 176.76 3djw s ARG 79 N 0.51 3.70 0.06 2.72 0.52 -1.26 -1.85 118.95 123.35 3djw s ARG 79 Ca -0.11 2.24 0.05 0.00 -0.52 0.00 0.00 55.73 57.39 3djw s ARG 79 Cb -0.16 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 3djw s ARG 79 CO 0.05 -0.74 -0.14 -0.65 0.02 0.00 0.00 175.30 173.83 3djw s GLN 80 N -2.48 0.86 0.70 3.54 -1.52 0.48 -4.90 119.66 116.35 3djw s GLN 80 Ca 0.62 -0.90 -0.17 0.00 -1.95 0.00 0.00 55.36 52.96 3djw s GLN 80 Cb -0.40 -0.88 -0.05 0.00 -0.22 0.00 0.00 33.01 31.46 3djw s GLN 80 CO 0.50 0.20 0.46 -2.30 -0.25 0.00 0.00 175.29 173.91 3djw n PRO 81 N 1.46 0.31 -3.21 2.91 -0.02 -1.26 -2.27 135.00 132.92 3djw n PRO 81 Ca -0.20 0.14 -0.16 0.00 -2.02 0.00 0.00 63.50 61.26 3djw n PRO 81 Cb 0.54 -1.75 0.05 0.00 -0.02 0.00 0.00 33.50 32.33 3djw n PRO 81 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3djw n GLU 82 N -0.45 -5.25 -3.95 -0.52 1.02 -1.26 -3.60 120.64 106.64 3djw n GLU 82 Ca 0.10 0.55 -0.27 0.00 -0.02 0.00 0.00 57.16 57.52 3djw n GLU 82 Cb 0.50 -4.75 -0.01 0.00 -0.02 0.00 0.00 31.44 27.15 3djw n GLU 82 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3djw n PHE 83 N -4.09 -1.76 -4.24 -0.32 3.72 -1.21 -4.89 117.46 104.67 3djw n PHE 83 Ca -0.01 0.78 -0.25 0.00 -0.05 0.00 0.00 57.45 57.92 3djw n PHE 83 Cb 0.55 -3.75 -0.08 0.00 -0.94 0.00 0.00 39.48 35.26 3djw n PHE 83 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3djw s LYS 84 N -6.53 2.33 -0.08 -1.08 1.02 -0.96 -2.95 119.74 111.48 3djw s LYS 84 Ca 0.17 -1.22 -0.02 0.00 0.02 0.00 0.00 55.97 54.92 3djw s LYS 84 Cb -0.09 -2.27 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 3djw s LYS 84 CO 0.88 0.42 0.03 0.71 -0.92 0.00 0.00 175.35 176.47 3djw s TYR 85 N -1.91 0.45 -0.49 3.18 2.02 0.44 -0.39 117.35 120.65 3djw s TYR 85 Ca 0.28 -0.09 -0.22 0.00 -0.37 0.00 0.00 57.07 56.67 3djw s TYR 85 Cb -0.08 -0.70 0.04 0.00 -0.40 0.00 0.00 41.96 40.82 3djw s TYR 85 CO 0.19 -0.32 0.75 0.99 -1.57 0.00 0.00 175.55 175.59 3djw s THR 86 N 2.05 4.68 -0.13 -0.71 2.01 -0.77 0.15 115.64 122.91 3djw s THR 86 Ca 0.04 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 3djw s THR 86 Cb -0.13 -4.35 -0.01 0.00 0.01 0.00 0.00 72.50 68.02 3djw s THR 86 CO -0.05 -0.83 0.97 -0.69 -0.69 0.00 0.00 174.62 173.33 3djw s VAL 87 N 3.19 4.79 -0.14 3.82 1.01 0.30 -1.51 120.40 131.86 3djw s VAL 87 Ca 0.24 1.96 0.18 0.00 0.00 0.00 0.00 61.98 64.37 3djw s VAL 87 Cb -0.15 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.71 3djw s VAL 87 CO 0.18 -0.01 0.32 0.18 0.00 0.00 0.00 175.10 175.78 3djw n LEU 88 N 5.15 0.21 -3.57 3.92 4.77 0.24 -3.22 117.00 124.51 3djw n LEU 88 Ca 0.08 0.10 -0.15 0.00 -0.03 0.00 0.00 56.01 56.01 3djw n LEU 88 Cb 0.48 0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.82 3djw n LEU 88 CO 0.51 0.33 0.53 -0.94 -1.33 0.00 0.00 177.39 176.50 3djw s SER 89 N -5.39 -0.60 -0.02 -1.43 1.04 -1.12 -1.09 113.70 105.08 3djw s SER 89 Ca -0.08 0.85 0.05 0.00 0.48 0.00 0.00 55.95 57.25 3djw s SER 89 Cb 0.08 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.95 3djw s SER 89 CO 0.84 -0.42 -0.17 -0.63 0.98 0.00 0.00 173.24 173.84 3djw s ILE 90 N -0.64 1.38 -0.03 -1.02 1.01 0.60 -1.20 121.20 121.30 3djw s ILE 90 Ca -0.05 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3djw s ILE 90 Cb -0.02 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.31 3djw s ILE 90 CO 0.04 0.39 -0.04 -0.75 0.00 0.00 0.00 174.94 174.58 3djw s LYS 91 N -0.23 0.70 -0.07 2.79 2.20 -0.19 0.11 119.74 125.04 3djw s LYS 91 Ca 0.03 -0.11 0.05 0.00 -0.36 0.00 0.00 55.97 55.57 3djw s LYS 91 Cb -0.08 -0.71 -0.00 0.00 -1.51 0.00 0.00 37.83 35.52 3djw s LYS 91 CO 0.00 -0.03 -0.22 0.20 -0.36 0.00 0.00 175.35 174.94 3djw s GLY 92 N 0.66 1.18 0.08 5.54 0.00 0.58 0.62 107.32 115.97 3djw s GLY 92 Ca -0.08 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.74 3djw s GLY 92 CO -0.00 -0.39 0.02 -1.34 0.00 0.00 0.00 173.10 171.39 3djw s VAL 93 N 0.14 0.18 0.00 1.40 -7.23 0.29 -2.22 120.40 112.96 3djw s VAL 93 Ca -0.10 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 3djw s VAL 93 Cb -0.15 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3djw s VAL 93 CO 0.05 -0.82 0.04 0.20 -0.31 0.00 0.00 175.10 174.26 3djw s ASN 94 N -2.94 5.37 0.19 4.85 -0.87 -1.26 -0.57 114.94 119.71 3djw s ASN 94 Ca 0.11 0.05 -0.10 0.00 -1.57 0.00 0.00 52.86 51.35 3djw s ASN 94 Cb 0.07 -1.46 -0.01 0.00 -0.02 0.00 0.00 41.25 39.84 3djw s ASN 94 CO -0.07 0.27 0.34 -0.62 -2.57 0.00 0.00 177.10 174.45 3djw s ASP 95 N -1.69 -0.01 0.00 -1.22 2.15 -0.06 -4.96 116.67 110.88 3djw s ASP 95 Ca 0.21 -0.91 0.04 0.00 0.43 0.00 0.00 52.55 52.33 3djw s ASP 95 Cb -0.12 0.49 0.03 0.00 -0.30 0.00 0.00 42.92 43.02 3djw s ASP 95 CO 0.12 -0.97 0.64 0.79 -0.17 0.00 0.00 175.17 175.58