#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcg s ASP 2 N 0.00 6.10 -0.03 7.83 1.11 -1.26 -1.74 116.67 128.68 3dcg s ASP 2 Ca 0.00 2.28 0.01 0.00 0.18 0.00 0.00 52.55 55.02 3dcg s ASP 2 Cb 0.00 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.40 3dcg s ASP 2 CO 0.00 -0.96 -0.05 -0.69 1.18 0.00 0.00 175.17 174.65 3dcg s VAL 3 N -1.59 0.47 -0.09 -1.27 1.01 0.07 -4.30 120.40 114.69 3dcg s VAL 3 Ca 0.65 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.52 3dcg s VAL 3 Cb -0.28 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 3dcg s VAL 3 CO 0.33 0.18 -0.23 -0.36 0.00 0.00 0.00 175.10 175.03 3dcg s PHE 4 N 0.51 2.57 0.07 5.22 0.40 -0.52 -0.87 117.98 125.35 3dcg s PHE 4 Ca -0.06 -0.90 0.04 0.00 -0.60 0.00 0.00 56.93 55.40 3dcg s PHE 4 Cb -0.10 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 3dcg s PHE 4 CO -0.00 -0.33 -0.11 -0.51 0.70 0.00 0.00 175.22 174.96 3dcg s LEU 5 N 0.20 2.29 -0.29 -0.37 1.43 -0.13 -1.95 118.68 119.86 3dcg s LEU 5 Ca -0.14 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.33 3dcg s LEU 5 Cb -0.17 -0.36 0.05 0.00 0.03 0.00 0.00 46.19 45.74 3dcg s LEU 5 CO 0.07 -0.15 -0.03 -0.04 0.23 0.00 0.00 176.35 176.44 3dcg s MET 6 N -1.86 2.46 -0.35 1.70 -1.94 0.18 -2.16 119.30 117.33 3dcg s MET 6 Ca -0.03 -1.24 -0.22 0.00 -1.71 0.00 0.00 55.69 52.49 3dcg s MET 6 Cb -0.09 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.65 3dcg s MET 6 CO 0.01 -0.58 0.70 0.42 -0.01 0.00 0.00 175.02 175.56 3dcg s ILE 7 N 1.24 4.83 -0.07 2.53 1.01 0.28 -0.40 121.20 130.62 3dcg s ILE 7 Ca -0.05 0.75 0.05 0.00 0.00 0.00 0.00 60.65 61.40 3dcg s ILE 7 Cb -0.19 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.15 3dcg s ILE 7 CO -0.02 -0.34 -0.22 -0.13 0.00 0.00 0.00 174.94 174.23 3dcg s ARG 8 N 2.86 2.45 -0.11 2.79 0.52 0.33 -0.36 118.95 127.43 3dcg s ARG 8 Ca 0.27 -0.79 -0.06 0.00 -0.52 0.00 0.00 55.73 54.63 3dcg s ARG 8 Cb -0.14 -2.01 0.04 0.00 0.52 0.00 0.00 34.95 33.37 3dcg s ARG 8 CO 0.15 0.27 0.25 0.50 0.02 0.00 0.00 175.30 176.49 3dcg s ARG 9 N 0.08 0.23 3.62 3.54 3.52 -0.63 -1.32 118.95 127.99 3dcg s ARG 9 Ca -0.09 0.51 0.00 0.00 -0.13 0.00 0.00 55.73 56.02 3dcg s ARG 9 Cb -0.15 -0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.17 3dcg s ARG 9 CO 0.05 -0.14 0.00 0.72 -0.81 0.00 0.00 175.30 175.12 3dcg n HIS 10 N 4.02 0.00 -0.60 5.12 8.25 0.15 -0.34 115.22 131.83 3dcg n HIS 10 Ca -0.23 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.31 3dcg n HIS 10 Cb 0.54 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.94 3dcg n HIS 10 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dcg n LYS 11 N 9.89 3.39 -4.06 -0.41 5.02 -1.26 -1.07 118.16 129.66 3dcg n LYS 11 Ca 0.00 -2.70 -0.35 0.00 -2.02 0.00 0.00 58.31 53.24 3dcg n LYS 11 Cb 0.00 -1.74 -0.12 0.00 -0.02 0.00 0.00 35.03 33.15 3dcg n LYS 11 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3dcg s THR 12 N -1.84 4.25 -0.17 -0.18 2.01 0.54 -5.09 115.64 115.16 3dcg s THR 12 Ca 0.43 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.23 3dcg s THR 12 Cb 0.29 -2.92 0.03 0.00 0.01 0.00 0.00 72.50 69.90 3dcg s THR 12 CO 0.20 0.43 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.52 3dcg s THR 13 N 0.83 1.72 -0.35 -0.82 2.01 -1.26 -1.61 115.64 116.16 3dcg s THR 13 Ca 0.02 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 61.05 3dcg s THR 13 Cb -0.14 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 3dcg s THR 13 CO 0.02 0.39 0.33 -0.63 -0.69 0.00 0.00 174.62 174.05 3dcg s ILE 14 N 1.41 5.20 -0.44 1.82 1.01 0.51 -4.93 121.20 125.78 3dcg s ILE 14 Ca 0.03 -0.06 -0.25 0.00 0.00 0.00 0.00 60.65 60.37 3dcg s ILE 14 Cb -0.14 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.55 3dcg s ILE 14 CO -0.10 -0.09 0.91 -0.36 0.00 0.00 0.00 174.94 175.29 3dcg s PHE 15 N 1.94 2.96 0.27 3.97 0.40 -1.26 -0.55 117.98 125.70 3dcg s PHE 15 Ca 0.10 0.44 0.02 0.00 -0.60 0.00 0.00 56.93 56.89 3dcg s PHE 15 Cb -0.17 -3.87 -0.03 0.00 0.51 0.00 0.00 43.02 39.46 3dcg s PHE 15 CO 0.11 -1.03 0.23 -0.08 0.70 0.00 0.00 175.22 175.16 3dcg s THR 16 N 3.64 0.00 0.03 0.64 -1.32 -0.92 -5.03 115.64 112.68 3dcg s THR 16 Ca 0.36 -1.96 -0.02 0.00 -1.21 0.00 0.00 61.69 58.86 3dcg s THR 16 Cb -0.11 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.36 3dcg s THR 16 CO 0.24 0.00 0.02 1.51 -2.21 0.00 0.00 174.62 174.18 3dcg s ASP 17 N -3.26 0.26 0.00 8.08 -4.77 -1.26 -0.96 116.67 114.76 3dcg s ASP 17 Ca 0.39 -0.59 0.00 0.00 -3.30 0.00 0.00 52.55 49.05 3dcg s ASP 17 Cb 0.04 0.16 0.00 0.00 -1.09 0.00 0.00 42.92 42.03 3dcg s ASP 17 CO 0.20 -0.42 0.00 0.00 0.70 0.00 0.00 175.17 175.64 3dcg n ALA 18 N 1.05 0.00 -2.45 2.11 0.00 -0.05 -5.00 120.51 116.18 3dcg n ALA 18 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 3dcg n ALA 18 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 3dcg n ALA 18 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3dcg s LYS 19 N 1.24 1.61 0.44 0.00 1.02 -1.26 -0.75 119.74 122.03 3dcg s LYS 19 Ca 0.00 -1.77 0.14 0.00 0.02 0.00 0.00 55.97 54.36 3dcg s LYS 19 Cb 0.00 -1.51 1.04 0.00 -0.52 0.00 0.00 37.83 36.84 3dcg s LYS 19 CO 0.00 0.21 1.97 0.93 -0.92 0.00 0.00 175.35 177.54 3dcg h GLU 20 N 2.28 0.39 -0.00 1.68 5.08 -1.61 -1.46 114.58 120.93 3dcg h GLU 20 Ca -0.40 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3dcg h GLU 20 Cb 1.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dcg h GLU 20 CO 0.64 0.26 -0.15 -1.13 -1.00 0.00 0.00 179.01 177.63 3dcg n SER 21 N -4.47 0.62 -4.77 1.42 3.41 -1.26 -0.87 113.62 107.70 3dcg n SER 21 Ca 0.10 -0.66 -0.40 0.00 -0.26 0.00 0.00 58.87 57.66 3dcg n SER 21 Cb 0.40 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3dcg n SER 21 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3dcg s SER 22 N -2.48 6.28 0.65 4.04 0.01 -0.55 -4.79 113.70 116.86 3dcg s SER 22 Ca 0.28 2.79 -0.10 0.00 1.31 0.00 0.00 55.95 60.23 3dcg s SER 22 Cb 0.20 -2.65 -0.00 0.00 0.21 0.00 0.00 66.02 63.78 3dcg s SER 22 CO 0.49 -0.89 1.03 0.42 0.41 0.00 0.00 173.24 174.70 3dcg s THR 23 N -1.21 3.90 0.30 1.44 -4.23 -1.26 -0.30 115.64 114.28 3dcg s THR 23 Ca 0.56 0.48 -0.02 0.00 -1.18 0.00 0.00 61.69 61.53 3dcg s THR 23 Cb -0.41 -3.59 0.25 0.00 1.34 0.00 0.00 72.50 70.08 3dcg s THR 23 CO 0.54 -0.74 1.95 0.58 -0.54 0.00 0.00 174.62 176.40 3dcg h VAL 24 N -0.44 1.21 -0.68 2.29 2.07 -1.10 -2.60 116.25 117.00 3dcg h VAL 24 Ca -0.45 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 66.69 3dcg h VAL 24 Cb 1.24 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3dcg h VAL 24 CO 0.63 0.22 0.45 0.15 0.02 0.00 0.00 177.57 179.03 3dcg h PHE 25 N 1.08 0.70 -0.68 1.57 3.57 -1.71 -1.95 116.94 119.52 3dcg h PHE 25 Ca 0.28 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.81 3dcg h PHE 25 Cb -0.07 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 3dcg h PHE 25 CO 0.00 0.37 0.45 0.93 -2.23 0.00 0.00 178.31 177.83 3dcg h GLU 26 N 0.69 0.89 -0.38 1.11 5.08 -1.76 -1.76 114.58 118.45 3dcg h GLU 26 Ca 0.29 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3dcg h GLU 26 Cb 0.26 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3dcg h GLU 26 CO -0.09 0.59 0.18 -0.07 -1.00 0.00 0.00 179.01 178.61 3dcg h LEU 27 N 0.91 0.47 -0.95 1.33 3.38 -1.39 -1.72 115.31 117.34 3dcg h LEU 27 Ca 0.25 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3dcg h LEU 27 Cb -0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3dcg h LEU 27 CO -0.06 0.41 -0.21 0.11 0.09 0.00 0.00 178.44 178.79 3dcg h LYS 28 N 0.53 0.53 -0.15 1.13 1.57 -1.02 -1.71 116.57 117.45 3dcg h LYS 28 Ca 0.13 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 3dcg h LYS 28 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3dcg h LYS 28 CO -0.02 0.70 -0.47 0.00 -0.57 0.00 0.00 179.45 179.10 3dcg h ARG 29 N 0.47 0.38 -0.19 3.15 2.47 -0.63 -1.12 114.38 118.91 3dcg h ARG 29 Ca 0.07 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 3dcg h ARG 29 Cb 0.62 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 3dcg h ARG 29 CO 0.04 0.77 0.07 0.82 0.56 0.00 0.00 179.97 182.23 3dcg h ILE 30 N 0.31 1.17 -0.68 2.04 2.04 -1.11 -2.26 117.51 119.02 3dcg h ILE 30 Ca 0.02 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.39 3dcg h ILE 30 Cb 0.94 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 3dcg h ILE 30 CO 0.08 0.17 0.41 0.58 0.00 0.00 0.00 178.15 179.39 3dcg h VAL 31 N 0.15 1.07 -0.87 1.67 2.07 -1.19 -2.64 116.25 116.51 3dcg h VAL 31 Ca 0.06 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3dcg h VAL 31 Cb 0.19 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 3dcg h VAL 31 CO -0.00 0.15 0.57 -0.08 0.02 0.00 0.00 177.57 178.23 3dcg h GLU 32 N 0.80 1.12 0.00 1.57 4.81 -1.06 0.61 114.58 122.44 3dcg h GLU 32 Ca 0.28 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3dcg h GLU 32 Cb 0.05 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3dcg h GLU 32 CO -0.12 0.74 -0.18 0.78 -0.73 0.00 0.00 179.01 179.50 3dcg h GLY 33 N 1.16 0.00 0.00 1.92 0.00 -1.04 -0.40 103.07 104.70 3dcg h GLY 33 Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 47.23 3dcg h GLY 33 CO -0.08 0.00 -2.50 1.39 0.00 0.00 0.00 176.54 175.35 3dcg n ILE 34 N -3.99 1.49 0.91 2.60 5.41 -0.73 -4.65 119.36 120.40 3dcg n ILE 34 Ca -0.02 -0.47 0.10 0.00 1.00 0.00 0.00 62.75 63.36 3dcg n ILE 34 Cb 0.26 -1.66 -0.06 0.00 -0.71 0.00 0.00 39.64 37.47 3dcg n ILE 34 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3dcg n LEU 35 N -3.78 1.37 -1.78 1.39 4.77 0.21 -4.99 117.00 114.18 3dcg n LEU 35 Ca -0.50 -0.62 -0.17 0.00 -0.03 0.00 0.00 56.01 54.69 3dcg n LEU 35 Cb 0.93 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.00 3dcg n LEU 35 CO 0.13 0.29 -0.20 0.29 -1.33 0.00 0.00 177.39 176.57 3dcg n LYS 36 N -0.81 -1.30 -4.46 3.23 4.76 -0.16 -4.99 118.16 114.42 3dcg n LYS 36 Ca 0.06 0.87 -0.34 0.00 -2.87 0.00 0.00 58.31 56.04 3dcg n LYS 36 Cb 0.36 -5.26 -0.13 0.00 -1.84 0.00 0.00 35.03 28.16 3dcg n LYS 36 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3dcg s ARG 37 N -4.54 3.52 0.64 1.97 1.81 -1.26 -5.03 118.95 116.06 3dcg s ARG 37 Ca 0.00 -0.60 -0.16 0.00 -1.72 0.00 0.00 55.73 53.25 3dcg s ARG 37 Cb 0.00 -2.83 -0.01 0.00 -0.45 0.00 0.00 34.95 31.67 3dcg s ARG 37 CO 0.00 0.16 1.14 -1.25 -0.68 0.00 0.00 175.30 174.66 3dcg s PRO 38 N 0.54 2.82 0.47 3.54 0.04 -1.26 -3.90 135.00 137.25 3dcg s PRO 38 Ca -0.05 1.52 0.25 0.00 0.04 0.00 0.00 61.00 62.75 3dcg s PRO 38 Cb -0.15 -1.94 1.28 0.00 0.04 0.00 0.00 34.50 33.73 3dcg s PRO 38 CO 0.03 -1.26 1.86 -1.35 0.04 0.00 0.00 177.00 176.32 3dcg h PRO 39 N 0.27 0.20 0.00 0.56 0.11 -1.95 0.78 132.00 131.97 3dcg h PRO 39 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dcg h PRO 39 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dcg h PRO 39 CO 0.54 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3dcg n ASP 40 N -4.41 0.00 -0.88 -2.05 5.75 -1.26 -2.01 116.55 111.69 3dcg n ASP 40 Ca 0.20 -1.02 0.08 0.00 -0.01 0.00 0.00 54.79 54.04 3dcg n ASP 40 Cb 0.86 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 41.19 3dcg n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3dcg n GLU 41 N -0.97 2.99 -4.77 0.11 1.02 0.27 -4.98 120.64 114.30 3dcg n GLU 41 Ca 0.22 -2.70 -0.26 0.00 -0.02 0.00 0.00 57.16 54.40 3dcg n GLU 41 Cb 0.10 -1.75 -0.15 0.00 -0.02 0.00 0.00 31.44 29.63 3dcg n GLU 41 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3dcg s GLN 42 N -2.45 1.46 -0.14 3.49 -0.21 -0.85 -1.76 119.66 119.20 3dcg s GLN 42 Ca 0.39 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 54.96 3dcg s GLN 42 Cb 0.30 -1.50 0.01 0.00 1.00 0.00 0.00 33.01 32.82 3dcg s GLN 42 CO 0.11 0.40 -0.19 1.03 -2.12 0.00 0.00 175.29 174.51 3dcg s ARG 43 N -0.86 2.69 -0.12 2.91 0.52 0.26 -4.99 118.95 119.35 3dcg s ARG 43 Ca 0.07 -0.73 -0.06 0.00 -0.52 0.00 0.00 55.73 54.49 3dcg s ARG 43 Cb -0.08 -2.25 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 3dcg s ARG 43 CO 0.01 -0.08 0.10 -0.51 0.02 0.00 0.00 175.30 174.84 3dcg s LEU 44 N 1.00 4.14 0.02 2.53 1.43 -1.26 -0.84 118.68 125.70 3dcg s LEU 44 Ca -0.04 0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.46 3dcg s LEU 44 Cb -0.15 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3dcg s LEU 44 CO -0.04 0.37 -0.15 -0.31 0.23 0.00 0.00 176.35 176.44 3dcg s TYR 45 N -0.78 1.35 -0.12 0.29 1.51 0.44 -0.93 117.35 119.11 3dcg s TYR 45 Ca 0.13 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 3dcg s TYR 45 Cb -0.12 -0.83 0.02 0.00 -0.11 0.00 0.00 41.96 40.93 3dcg s TYR 45 CO 0.03 0.02 -0.11 0.21 -1.11 0.00 0.00 175.55 174.59 3dcg s LYS 46 N -0.81 1.86 -1.33 -0.62 2.47 -0.18 -0.18 119.74 120.94 3dcg s LYS 46 Ca 0.04 -0.40 -0.02 0.00 -1.56 0.00 0.00 55.97 54.04 3dcg s LYS 46 Cb -0.07 -1.76 0.01 0.00 -1.46 0.00 0.00 37.83 34.54 3dcg s LYS 46 CO 0.01 -0.20 0.72 -0.25 0.16 0.00 0.00 175.35 175.78 3dcg n ASP 47 N 4.69 -1.52 -1.34 1.43 8.00 -1.26 -1.74 116.55 124.80 3dcg n ASP 47 Ca -0.16 -0.82 -0.17 0.00 0.71 0.00 0.00 54.79 54.35 3dcg n ASP 47 Cb 0.50 -4.00 -0.07 0.00 -0.02 0.00 0.00 41.12 37.53 3dcg n ASP 47 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dcg n ASP 48 N -3.03 -5.09 -4.26 -2.24 9.92 -1.26 -4.98 116.55 105.61 3dcg n ASP 48 Ca -0.26 0.42 -0.32 0.00 -0.53 0.00 0.00 54.79 54.10 3dcg n ASP 48 Cb 0.66 -4.12 -0.17 0.00 -0.64 0.00 0.00 41.12 36.85 3dcg n ASP 48 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3dcg s GLN 49 N -3.50 2.66 0.25 -1.24 -0.21 -0.71 -5.11 119.66 111.80 3dcg s GLN 49 Ca 0.00 -0.90 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 3dcg s GLN 49 Cb 0.00 -2.19 -0.09 0.00 1.00 0.00 0.00 33.01 31.73 3dcg s GLN 49 CO 0.00 0.33 1.28 -1.17 -2.12 0.00 0.00 175.29 173.61 3dcg s LEU 50 N -0.05 4.44 -0.20 2.90 0.20 -1.26 -1.01 118.68 123.70 3dcg s LEU 50 Ca -0.07 2.46 -0.11 0.00 0.69 0.00 0.00 54.13 57.10 3dcg s LEU 50 Cb -0.15 -3.62 -0.05 0.00 -0.43 0.00 0.00 46.19 41.94 3dcg s LEU 50 CO 0.05 -0.47 0.17 -0.76 -0.29 0.00 0.00 176.35 175.05 3dcg s LEU 51 N -0.79 4.20 0.18 -0.68 1.43 -0.11 -4.88 118.68 118.04 3dcg s LEU 51 Ca 0.53 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 3dcg s LEU 51 Cb -0.37 -2.16 -0.08 0.00 0.03 0.00 0.00 46.19 43.62 3dcg s LEU 51 CO 0.43 0.14 1.02 -0.62 0.23 0.00 0.00 176.35 177.54 3dcg s ASP 52 N 0.52 7.43 0.43 2.29 -1.08 -1.26 -4.70 116.67 120.30 3dcg s ASP 52 Ca 0.10 1.99 0.10 0.00 -0.52 0.00 0.00 52.55 54.21 3dcg s ASP 52 Cb -0.12 -2.60 0.93 0.00 -1.46 0.00 0.00 42.92 39.67 3dcg s ASP 52 CO 0.00 -0.07 2.04 0.44 0.52 0.00 0.00 175.17 178.11 3dcg h ASP 53 N 4.88 0.31 1.83 -0.34 3.32 -1.98 -2.88 116.42 121.57 3dcg h ASP 53 Ca -0.44 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3dcg h ASP 53 Cb 1.21 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3dcg h ASP 53 CO 0.71 0.28 0.00 1.23 -1.72 0.00 0.00 179.24 179.73 3dcg h GLY 54 N 0.47 0.00 -2.05 2.75 0.00 -1.97 -2.37 103.07 99.90 3dcg h GLY 54 Ca 0.09 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.94 3dcg h GLY 54 CO -0.01 0.00 0.40 0.54 0.00 0.00 0.00 176.54 177.47 3dcg s LYS 55 N -3.19 3.64 0.64 4.80 -0.14 -1.09 -4.81 119.74 119.59 3dcg s LYS 55 Ca 0.08 1.42 -0.11 0.00 -1.36 0.00 0.00 55.97 56.00 3dcg s LYS 55 Cb 0.07 -2.06 -0.03 0.00 -1.68 0.00 0.00 37.83 34.13 3dcg s LYS 55 CO 0.65 -0.58 1.05 0.95 -0.76 0.00 0.00 175.35 176.65 3dcg s THR 56 N -1.96 4.42 0.35 2.17 -4.23 -1.26 -1.24 115.64 113.89 3dcg s THR 56 Ca 0.69 0.79 0.06 0.00 -1.18 0.00 0.00 61.69 62.05 3dcg s THR 56 Cb -0.18 -3.77 0.14 0.00 1.34 0.00 0.00 72.50 70.03 3dcg s THR 56 CO 0.23 -1.03 1.86 -0.07 -0.54 0.00 0.00 174.62 175.08 3dcg h LEU 57 N -0.41 0.37 -0.56 4.79 3.38 -0.39 -2.36 115.31 120.13 3dcg h LEU 57 Ca -0.44 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.46 3dcg h LEU 57 Cb 1.20 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3dcg h LEU 57 CO 0.62 0.51 0.37 1.23 0.09 0.00 0.00 178.44 181.26 3dcg h GLY 58 N 0.84 0.79 2.00 0.83 0.00 -1.03 0.19 103.07 106.69 3dcg h GLY 58 Ca 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3dcg h GLY 58 CO 0.02 0.27 -0.09 0.83 0.00 0.00 0.00 176.54 177.57 3dcg h GLU 59 N 0.74 0.00 -0.01 4.80 5.08 -1.70 -2.71 114.58 120.79 3dcg h GLU 59 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3dcg h GLU 59 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3dcg h GLU 59 CO -0.06 0.09 -0.09 0.00 -1.00 0.00 0.00 179.01 177.96 3dcg n GLY 61 N 1.23 0.93 3.36 0.00 0.00 -0.98 -4.98 105.19 104.75 3dcg n GLY 61 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 3dcg n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dcg s PHE 62 N -2.01 3.37 0.27 1.61 0.08 -0.02 -4.95 117.98 116.33 3dcg s PHE 62 Ca 0.00 -1.51 0.07 0.00 0.12 0.00 0.00 56.93 55.60 3dcg s PHE 62 Cb 0.00 -3.95 -0.03 0.00 -0.57 0.00 0.00 43.02 38.47 3dcg s PHE 62 CO 0.00 -1.16 0.27 0.95 -0.10 0.00 0.00 175.22 175.18 3dcg s THR 63 N 1.48 4.38 0.40 0.64 -4.23 -1.26 -3.43 115.64 113.63 3dcg s THR 63 Ca 0.16 -1.29 0.26 0.00 -1.18 0.00 0.00 61.69 59.65 3dcg s THR 63 Cb -0.16 -3.44 0.28 0.00 1.34 0.00 0.00 72.50 70.52 3dcg s THR 63 CO -0.03 -0.30 2.05 -1.28 -0.54 0.00 0.00 174.62 174.52 3dcg h SER 64 N 1.34 0.00 1.31 3.99 0.87 -1.86 0.27 113.55 119.47 3dcg h SER 64 Ca -0.48 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.94 3dcg h SER 64 Cb 1.24 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 3dcg h SER 64 CO 0.60 0.13 -0.70 1.56 -0.53 0.00 0.00 176.83 177.89 3dcg h GLN 65 N 0.00 0.00 0.16 2.24 7.50 -1.96 -3.37 115.11 119.69 3dcg h GLN 65 Ca -0.00 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 58.81 3dcg h GLN 65 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.89 3dcg h GLN 65 CO 0.02 0.59 -1.71 1.15 -1.50 0.00 0.00 178.83 177.38 3dcg h THR 66 N 0.00 0.97 -3.28 -0.54 2.02 -1.51 -3.42 112.91 107.15 3dcg h THR 66 Ca -0.02 -2.59 -0.67 0.00 0.77 0.00 0.00 66.41 63.90 3dcg h THR 66 Cb 1.49 2.74 -0.38 0.00 -1.74 0.00 0.00 68.15 70.26 3dcg h THR 66 CO 0.08 0.84 -0.32 0.00 0.37 0.00 0.00 175.52 176.49 3dcg s ALA 67 N -2.59 3.96 0.32 6.16 0.00 0.80 -4.50 121.76 125.92 3dcg s ALA 67 Ca -0.14 -3.73 0.01 0.00 0.00 0.00 0.00 51.96 48.10 3dcg s ALA 67 Cb 0.06 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 3dcg s ALA 67 CO 0.85 -2.12 0.51 1.03 0.00 0.00 0.00 175.76 176.03 3dcg s ARG 68 N -1.15 3.48 0.24 0.00 3.00 -0.99 -1.44 118.95 122.10 3dcg s ARG 68 Ca 0.24 -0.40 -0.06 0.00 0.00 0.00 0.00 55.73 55.51 3dcg s ARG 68 Cb -0.09 -2.71 0.24 0.00 0.00 0.00 0.00 34.95 32.39 3dcg s ARG 68 CO -0.12 0.21 1.91 -1.35 0.00 0.00 0.00 175.30 175.96 3dcg h PRO 69 N 0.90 1.30 0.00 3.54 0.11 -1.94 -1.54 132.00 134.37 3dcg h PRO 69 Ca -0.50 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.52 3dcg h PRO 69 Cb 1.22 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3dcg h PRO 69 CO 0.62 0.88 0.00 1.04 -0.21 0.00 0.00 178.00 180.33 3dcg n GLN 70 N -4.38 0.04 -2.75 1.05 3.00 -1.26 -4.43 117.38 108.65 3dcg n GLN 70 Ca 0.11 0.06 -0.06 0.00 -0.01 0.00 0.00 57.00 57.10 3dcg n GLN 70 Cb 0.03 -1.55 0.04 0.00 0.00 0.00 0.00 30.24 28.76 3dcg n GLN 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3dcg n ALA 71 N -1.54 -1.78 -1.91 -1.58 0.00 -1.07 -5.16 120.51 107.47 3dcg n ALA 71 Ca 0.06 -1.16 -0.31 0.00 0.00 0.00 0.00 53.44 52.04 3dcg n ALA 71 Cb 0.33 -1.56 0.01 0.00 0.00 0.00 0.00 19.45 18.23 3dcg n ALA 71 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dcg s PRO 72 N 0.74 3.60 0.08 0.00 0.04 -0.60 -2.34 135.00 136.52 3dcg s PRO 72 Ca 0.31 0.70 -0.21 0.00 0.04 0.00 0.00 61.00 61.84 3dcg s PRO 72 Cb 0.14 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 3dcg s PRO 72 CO -0.16 -0.53 0.61 0.00 0.04 0.00 0.00 177.00 176.95 3dcg s ALA 73 N -3.13 3.56 0.11 8.56 0.00 -0.82 -4.77 121.76 125.26 3dcg s ALA 73 Ca 0.54 0.09 -0.28 0.00 0.00 0.00 0.00 51.96 52.32 3dcg s ALA 73 Cb -0.11 -2.70 -0.06 0.00 0.00 0.00 0.00 23.12 20.25 3dcg s ALA 73 CO 0.53 0.36 0.89 0.99 0.00 0.00 0.00 175.76 178.53 3dcg s THR 74 N -1.05 4.50 -0.12 0.00 2.01 -1.26 -0.64 115.64 119.08 3dcg s THR 74 Ca 0.30 1.92 0.00 0.00 0.31 0.00 0.00 61.69 64.22 3dcg s THR 74 Cb -0.20 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.04 3dcg s THR 74 CO 0.20 0.37 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.68 3dcg s VAL 75 N -0.27 3.08 0.08 3.82 1.01 0.46 -4.81 120.40 123.77 3dcg s VAL 75 Ca 0.43 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 3dcg s VAL 75 Cb -0.23 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 3dcg s VAL 75 CO 0.28 0.53 0.53 -0.83 0.00 0.00 0.00 175.10 175.61 3dcg s GLY 76 N 0.18 2.57 -0.10 4.51 0.00 0.74 -0.51 107.32 114.72 3dcg s GLY 76 Ca -0.07 -0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.62 3dcg s GLY 76 CO 0.05 0.31 -0.21 -2.27 0.00 0.00 0.00 173.10 170.98 3dcg s LEU 77 N -1.35 1.99 -0.07 0.66 2.96 -0.43 -0.42 118.68 122.02 3dcg s LEU 77 Ca 0.30 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 3dcg s LEU 77 Cb -0.18 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 45.22 3dcg s LEU 77 CO 0.18 0.12 -0.19 0.00 -1.32 0.00 0.00 176.35 175.14 3dcg s ALA 78 N 0.52 1.70 0.24 5.97 0.00 -0.02 -4.56 121.76 125.60 3dcg s ALA 78 Ca -0.16 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.08 3dcg s ALA 78 Cb -0.17 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 3dcg s ALA 78 CO 0.06 0.25 0.43 -0.06 0.00 0.00 0.00 175.76 176.44 3dcg s PHE 79 N 0.26 3.48 0.21 0.00 0.08 -1.26 -0.57 117.98 120.18 3dcg s PHE 79 Ca -0.11 0.31 -0.13 0.00 0.12 0.00 0.00 56.93 57.13 3dcg s PHE 79 Cb -0.15 -1.84 -0.07 0.00 -0.57 0.00 0.00 43.02 40.39 3dcg s PHE 79 CO 0.05 0.32 0.59 0.50 -0.10 0.00 0.00 175.22 176.57 3dcg s ARG 80 N -3.63 3.92 -0.34 0.44 3.52 -0.72 -1.86 118.95 120.27 3dcg s ARG 80 Ca 0.38 0.45 0.03 0.00 -0.13 0.00 0.00 55.73 56.47 3dcg s ARG 80 Cb -0.10 -2.74 0.10 0.00 -1.56 0.00 0.00 34.95 30.65 3dcg s ARG 80 CO 0.31 0.36 0.07 0.00 -0.81 0.00 0.00 175.30 175.22 3dcg s ALA 81 N -1.69 2.74 0.00 6.12 0.00 -1.26 -4.94 121.76 122.73 3dcg s ALA 81 Ca 0.45 -2.46 0.00 0.00 0.00 0.00 0.00 51.96 49.94 3dcg s ALA 81 Cb -0.13 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.06 3dcg s ALA 81 CO 0.20 -1.70 0.00 -0.25 0.00 0.00 0.00 175.76 174.01 3dcg n ASP 82 N 4.27 0.00 -4.11 0.00 9.92 -1.26 -4.89 116.55 120.48 3dcg n ASP 82 Ca 0.03 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.00 3dcg n ASP 82 Cb 0.42 -0.40 0.19 0.00 -0.64 0.00 0.00 41.12 40.69 3dcg n ASP 82 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3dcg s THR 84 N -0.12 1.88 -0.01 -3.53 -4.23 -1.26 -5.19 115.64 103.17 3dcg s THR 84 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.29 3dcg s THR 84 Cb 0.00 -2.83 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 3dcg s THR 84 CO 0.00 0.00 0.66 -0.36 -0.54 0.00 0.00 174.62 174.38 3dcg s PHE 85 N -3.58 3.66 0.72 3.99 0.08 -1.26 -4.46 117.98 117.14 3dcg s PHE 85 Ca 0.72 1.27 -0.13 0.00 0.12 0.00 0.00 56.93 58.91 3dcg s PHE 85 Cb -0.07 -2.70 0.03 0.00 -0.57 0.00 0.00 43.02 39.71 3dcg s PHE 85 CO 0.54 0.26 1.11 -1.83 -0.10 0.00 0.00 175.22 175.20 3dcg s GLU 86 N 0.11 2.48 0.61 0.44 -1.05 -0.78 -4.97 118.70 115.54 3dcg s GLU 86 Ca 0.34 1.31 -0.16 0.00 -0.15 0.00 0.00 54.97 56.31 3dcg s GLU 86 Cb -0.19 -1.92 -0.03 0.00 -0.44 0.00 0.00 34.13 31.56 3dcg s GLU 86 CO 0.19 -1.49 1.10 0.00 0.95 0.00 0.00 175.26 176.01 3dcg s ALA 87 N -2.58 2.60 -0.05 -0.84 0.00 -1.26 -4.71 121.76 114.92 3dcg s ALA 87 Ca 0.65 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 3dcg s ALA 87 Cb -0.19 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 3dcg s ALA 87 CO 0.48 -1.01 1.80 -1.17 0.00 0.00 0.00 175.76 175.87 3dcg s LEU 88 N -4.46 4.25 -0.17 0.00 2.96 -1.26 -4.93 118.68 115.06 3dcg s LEU 88 Ca 0.68 2.29 -0.02 0.00 -0.22 0.00 0.00 54.13 56.86 3dcg s LEU 88 Cb -0.20 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.01 3dcg s LEU 88 CO 0.36 -1.08 -0.00 0.00 -1.32 0.00 0.00 176.35 174.30 3dcg s ILE 90 N 1.76 1.48 0.22 0.00 1.01 -1.26 0.34 121.20 124.76 3dcg s ILE 90 Ca -0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 3dcg s ILE 90 Cb -0.16 -1.43 -0.09 0.00 0.01 0.00 0.00 42.46 40.79 3dcg s ILE 90 CO -0.07 0.40 1.16 -1.61 0.00 0.00 0.00 174.94 174.82 3dcg s GLU 91 N 1.52 4.54 0.59 2.79 0.41 -0.24 -4.88 118.70 123.44 3dcg s GLU 91 Ca 0.04 1.85 -0.18 0.00 -0.41 0.00 0.00 54.97 56.27 3dcg s GLU 91 Cb -0.13 -3.22 -0.03 0.00 -1.78 0.00 0.00 34.13 28.96 3dcg s GLU 91 CO -0.10 0.02 1.15 -1.25 -0.49 0.00 0.00 175.26 174.58 3dcg s PRO 92 N -0.68 3.06 0.84 0.39 0.04 -1.26 -4.89 135.00 132.50 3dcg s PRO 92 Ca 0.50 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 63.04 3dcg s PRO 92 Cb -0.32 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.35 3dcg s PRO 92 CO 0.38 -1.09 1.12 -0.06 0.04 0.00 0.00 177.00 177.40 3dcg s PHE 93 N -1.89 2.12 0.71 0.56 0.08 -1.26 -5.00 117.98 113.30 3dcg s PHE 93 Ca 0.72 1.66 -0.16 0.00 0.12 0.00 0.00 56.93 59.27 3dcg s PHE 93 Cb -0.25 -3.19 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 3dcg s PHE 93 CO 0.33 -2.29 0.66 -1.13 -0.10 0.00 0.00 175.22 172.69 3dcg n SER 94 N -3.87 -0.67 -4.70 1.36 3.41 -1.26 -4.93 113.62 102.96 3dcg n SER 94 Ca 0.10 0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 58.92 3dcg n SER 94 Cb 0.53 -1.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.18 3dcg n SER 94 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dcg s SER 95 N -1.49 7.18 0.45 4.04 0.15 -1.26 -5.02 113.70 117.75 3dcg s SER 95 Ca 0.68 1.78 -0.25 0.00 0.70 0.00 0.00 55.95 58.86 3dcg s SER 95 Cb -0.36 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.30 3dcg s SER 95 CO 0.55 -0.44 1.42 -2.84 1.20 0.00 0.00 173.24 173.14 3dcg s PRO 96 N 1.54 3.69 1.08 5.44 0.02 -1.26 -4.99 135.00 140.52 3dcg s PRO 96 Ca 0.54 2.41 -0.12 0.00 0.02 0.00 0.00 61.00 63.85 3dcg s PRO 96 Cb -0.24 -2.66 0.24 0.00 0.02 0.00 0.00 34.50 31.87 3dcg s PRO 96 CO 0.25 -0.81 1.06 -1.25 -0.33 0.00 0.00 177.00 175.92 3dcg s PRO 97 N -2.45 -0.30 0.00 5.54 0.04 -1.26 -5.32 135.00 131.25 3dcg s PRO 97 Ca 0.61 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3dcg s PRO 97 Cb -0.44 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3dcg s PRO 97 CO 0.56 -3.36 0.29 -0.85 0.04 0.00 0.00 177.00 173.68