#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff n THR 4 N 0.00 1.28 -3.00 0.52 -2.24 -1.26 -4.88 114.28 104.70 2aff n THR 4 Ca 0.00 -2.02 -0.40 0.00 -2.27 0.00 0.00 64.05 59.36 2aff n THR 4 Cb 0.00 0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2aff s ARG 5 N -1.90 4.38 0.03 -0.78 0.52 -1.26 -2.23 118.95 117.70 2aff s ARG 5 Ca 0.30 0.90 0.05 0.00 -0.52 0.00 0.00 55.73 56.47 2aff s ARG 5 Cb 0.30 -3.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 2aff s ARG 5 CO -0.06 -0.08 -0.16 1.03 0.02 0.00 0.00 175.30 176.05 2aff s ARG 6 N 1.30 1.10 -0.01 3.54 0.52 -0.36 -1.75 118.95 123.29 2aff s ARG 6 Ca 0.37 -0.75 0.05 0.00 -0.52 0.00 0.00 55.73 54.88 2aff s ARG 6 Cb -0.17 -1.12 -0.03 0.00 0.52 0.00 0.00 34.95 34.15 2aff s ARG 6 CO 0.16 0.29 -0.13 -0.51 0.02 0.00 0.00 175.30 175.12 2aff s LEU 7 N -0.97 2.81 -0.16 2.53 1.43 -0.86 -1.34 118.68 122.13 2aff s LEU 7 Ca 0.04 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2aff s LEU 7 Cb -0.08 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 2aff s LEU 7 CO 0.01 0.30 -0.12 -0.69 0.23 0.00 0.00 176.35 176.09 2aff s VAL 8 N -0.86 3.03 0.27 -1.59 1.01 -0.90 -0.63 120.40 120.73 2aff s VAL 8 Ca 0.14 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2aff s VAL 8 Cb -0.11 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 2aff s VAL 8 CO 0.04 0.50 1.01 -0.89 0.00 0.00 0.00 175.10 175.76 2aff s THR 9 N 0.70 3.82 -0.11 3.92 2.01 -0.40 -2.06 115.64 123.52 2aff s THR 9 Ca -0.06 1.78 -0.01 0.00 0.31 0.00 0.00 61.69 63.71 2aff s THR 9 Cb -0.15 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 2aff s THR 9 CO 0.02 0.39 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.65 2aff s ILE 10 N -1.23 3.77 0.31 1.82 -1.09 -0.20 -1.69 121.20 122.88 2aff s ILE 10 Ca 0.44 -0.43 -0.00 0.00 -2.23 0.00 0.00 60.65 58.43 2aff s ILE 10 Cb -0.28 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 2aff s ILE 10 CO 0.35 0.55 0.52 -0.54 -1.23 0.00 0.00 174.94 174.59 2aff s LYS 11 N -0.27 3.51 0.65 2.79 1.02 -0.88 -4.07 119.74 122.50 2aff s LYS 11 Ca 0.04 -0.30 0.38 0.00 0.02 0.00 0.00 55.97 56.12 2aff s LYS 11 Cb -0.13 -2.69 2.11 0.00 -0.52 0.00 0.00 37.83 36.60 2aff s LYS 11 CO 0.02 0.21 2.22 0.00 -0.92 0.00 0.00 175.35 176.88 2aff h ARG 12 N 1.11 0.00 0.00 1.68 3.08 -1.91 0.77 114.38 119.12 2aff h ARG 12 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2aff h ARG 12 CO 0.63 0.00 -0.07 -1.13 -1.07 0.00 0.00 179.97 178.33 2aff n SER 13 N -3.16 0.32 0.00 7.04 3.41 -1.26 -4.92 113.62 115.05 2aff n SER 13 Ca -0.02 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2aff n SER 13 Cb 0.18 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aff n GLY 14 N 1.44 0.69 3.66 5.00 0.00 0.27 -5.08 105.19 111.17 2aff n GLY 14 Ca 0.06 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 2aff n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aff s VAL 15 N -2.00 3.97 0.04 1.61 -7.23 -1.25 -4.83 120.40 110.69 2aff s VAL 15 Ca 0.00 -0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 59.02 2aff s VAL 15 Cb 0.00 -2.82 -0.06 0.00 0.56 0.00 0.00 36.38 34.05 2aff s VAL 15 CO 0.00 0.25 1.42 -0.62 -0.31 0.00 0.00 175.10 175.84 2aff s ASP 16 N -1.91 6.82 0.00 4.85 -1.08 -1.26 -2.08 116.67 122.01 2aff s ASP 16 Ca 0.22 2.20 0.00 0.00 -0.52 0.00 0.00 52.55 54.45 2aff s ASP 16 Cb -0.11 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2aff s ASP 16 CO 0.14 -0.72 0.00 0.61 0.52 0.00 0.00 175.17 175.72 2aff n GLY 17 N 3.64 2.39 3.80 2.66 0.00 -0.68 -4.98 105.19 112.01 2aff n GLY 17 Ca 0.13 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 2aff n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aff s PRO 18 N 4.23 3.43 0.30 1.61 0.04 -1.26 -4.63 135.00 138.72 2aff s PRO 18 Ca 0.00 1.26 0.08 0.00 0.04 0.00 0.00 61.00 62.38 2aff s PRO 18 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2aff s PRO 18 CO 0.00 -0.72 0.14 -3.38 0.04 0.00 0.00 177.00 173.08 2aff s HIS 19 N -2.31 2.83 -0.24 0.56 -3.43 -1.26 -1.27 115.29 110.17 2aff s HIS 19 Ca 0.65 -0.26 -0.02 0.00 -0.80 0.00 0.00 55.06 54.63 2aff s HIS 19 Cb -0.16 -1.49 0.07 0.00 -1.43 0.00 0.00 32.58 29.57 2aff s HIS 19 CO 0.32 0.43 0.04 0.12 -2.00 0.00 0.00 174.74 173.66 2aff s PHE 20 N -2.31 1.44 0.01 0.38 5.36 0.20 -4.95 117.98 118.12 2aff s PHE 20 Ca 0.35 -1.27 -0.30 0.00 -0.96 0.00 0.00 56.93 54.75 2aff s PHE 20 Cb -0.05 -1.32 -0.05 0.00 -0.34 0.00 0.00 43.02 41.25 2aff s PHE 20 CO 0.23 -0.72 1.25 -1.25 -1.46 0.00 0.00 175.22 173.27 2aff s PRO 21 N 1.71 4.37 -0.49 10.12 0.04 -1.26 -2.03 135.00 147.46 2aff s PRO 21 Ca 0.02 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 2aff s PRO 21 Cb -0.17 -3.46 0.13 0.00 0.04 0.00 0.00 34.50 31.04 2aff s PRO 21 CO -0.13 -0.40 2.55 1.28 0.04 0.00 0.00 177.00 180.34 2aff n LEU 22 N 4.66 6.65 0.09 -3.56 4.77 -0.72 -4.56 117.00 124.34 2aff n LEU 22 Ca 0.11 -4.07 0.09 0.00 -0.03 0.00 0.00 56.01 52.10 2aff n LEU 22 Cb 0.45 -1.18 0.40 0.00 -2.33 0.00 0.00 43.42 40.77 2aff n LEU 22 CO 0.56 1.66 0.76 -1.54 -1.33 0.00 0.00 177.39 177.50 2aff n SER 23 N 0.56 0.40 -4.77 -1.43 3.41 -1.26 -4.61 113.62 105.91 2aff n SER 23 Ca 0.48 0.64 -0.39 0.00 -0.26 0.00 0.00 58.87 59.34 2aff n SER 23 Cb 0.52 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 2aff n SER 23 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2aff s LEU 24 N -3.97 4.53 0.62 1.04 1.43 -1.26 -4.86 118.68 116.20 2aff s LEU 24 Ca 0.02 1.81 0.38 0.00 -1.03 0.00 0.00 54.13 55.31 2aff s LEU 24 Cb 0.07 -3.66 2.04 0.00 0.03 0.00 0.00 46.19 44.66 2aff s LEU 24 CO 0.23 0.10 2.26 0.77 0.23 0.00 0.00 176.35 179.93 2aff h SER 25 N 3.85 0.00 -3.72 2.29 4.64 -1.91 -3.43 113.55 115.27 2aff h SER 25 Ca -0.46 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.61 2aff h SER 25 Cb 1.20 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.00 2aff h SER 25 CO 0.66 0.02 -0.73 -0.89 -0.87 0.00 0.00 176.83 175.03 2aff s THR 26 N -4.17 0.04 -0.10 2.95 2.01 -1.26 -0.53 115.64 114.58 2aff s THR 26 Ca -0.04 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.97 2aff s THR 26 Cb 0.13 -0.06 0.02 0.00 0.01 0.00 0.00 72.50 72.60 2aff s THR 26 CO 0.48 0.02 -0.10 0.00 -0.69 0.00 0.00 174.62 174.33 2aff s LEU 28 N 1.27 2.36 -0.09 0.00 2.96 -1.26 0.13 118.68 124.06 2aff s LEU 28 Ca -0.03 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 2aff s LEU 28 Cb -0.14 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2aff s LEU 28 CO -0.04 0.13 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.76 2aff s PHE 29 N 0.53 3.13 -5.00 5.38 0.40 0.32 0.76 117.98 123.49 2aff s PHE 29 Ca -0.12 0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 2aff s PHE 29 Cb -0.16 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.58 2aff s PHE 29 CO 0.04 0.44 0.00 0.41 0.70 0.00 0.00 175.22 176.81 2aff n GLY 30 N 2.20 -1.30 0.07 4.36 0.00 -0.96 -2.30 105.19 107.26 2aff n GLY 30 Ca -0.18 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 2aff n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aff h ARG 31 N 1.54 0.06 -6.65 1.61 3.08 -1.16 -2.97 114.38 109.88 2aff h ARG 31 Ca 0.00 -0.10 -0.58 0.00 0.07 0.00 0.00 59.98 59.37 2aff h ARG 31 Cb 0.00 0.04 0.15 0.00 0.08 0.00 0.00 29.97 30.23 2aff h ARG 31 CO 0.00 1.04 0.04 0.41 -1.07 0.00 0.00 179.97 180.39 2aff n GLY 32 N 1.36 -0.49 0.23 0.04 0.00 -1.01 -4.84 105.19 100.48 2aff n GLY 32 Ca -0.02 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2aff n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aff h ILE 33 N 1.07 1.22 0.00 -0.61 1.08 -1.91 -1.57 117.51 116.80 2aff h ILE 33 Ca -0.45 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 2aff h ILE 33 Cb 1.36 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.88 2aff h ILE 33 CO 0.54 0.27 0.32 -0.33 -0.69 0.00 0.00 178.15 178.25 2aff h GLU 34 N 0.66 0.00 -6.45 2.37 4.39 -1.96 -3.41 114.58 110.18 2aff h GLU 34 Ca 0.16 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.33 2aff h GLU 34 Cb 0.25 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2aff h GLU 34 CO -0.01 0.00 1.14 0.00 -1.16 0.00 0.00 179.01 178.98 2aff h ASP 36 N 9.21 0.20 -3.16 0.00 3.32 0.10 -3.37 116.42 122.73 2aff h ASP 36 Ca -0.46 -0.01 -0.60 0.00 0.02 0.00 0.00 57.03 55.98 2aff h ASP 36 Cb 1.22 -0.05 -0.36 0.00 0.22 0.00 0.00 39.33 40.36 2aff h ASP 36 CO 0.94 0.15 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.16 2aff s ILE 37 N -5.23 1.56 -0.13 0.35 1.01 -0.51 -4.96 121.20 113.30 2aff s ILE 37 Ca -0.06 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 2aff s ILE 37 Cb 0.17 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 2aff s ILE 37 CO 0.70 0.42 0.09 -0.13 0.00 0.00 0.00 174.94 176.02 2aff s ARG 38 N 1.48 3.49 -0.08 2.79 0.52 -1.26 -2.28 118.95 123.62 2aff s ARG 38 Ca 0.04 -0.25 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 2aff s ARG 38 Cb -0.13 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.22 2aff s ARG 38 CO -0.10 0.63 -0.20 0.42 0.02 0.00 0.00 175.30 176.06 2aff s ILE 39 N -0.62 1.74 -0.40 1.52 1.01 -1.12 -4.97 121.20 118.36 2aff s ILE 39 Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2aff s ILE 39 Cb -0.12 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.85 2aff s ILE 39 CO 0.02 0.49 0.82 0.00 0.00 0.00 0.00 174.94 176.27 2aff n GLN 40 N 3.44 1.03 -3.25 2.79 6.02 -1.26 -4.55 117.38 121.61 2aff n GLN 40 Ca -0.20 -0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.36 2aff n GLN 40 Cb 0.53 -1.21 -0.06 0.00 1.02 0.00 0.00 30.24 30.51 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2aff s LEU 41 N -0.05 4.35 0.14 1.08 1.43 -1.26 -4.95 118.68 119.43 2aff s LEU 41 Ca 0.01 1.01 0.21 0.00 -1.03 0.00 0.00 54.13 54.32 2aff s LEU 41 Cb 0.01 -2.82 0.85 0.00 0.03 0.00 0.00 46.19 44.25 2aff s LEU 41 CO 0.00 0.05 1.64 -0.81 0.23 0.00 0.00 176.35 177.46 2aff n PRO 42 N 3.19 0.12 -0.26 1.29 -0.04 -1.26 -2.45 135.00 135.59 2aff n PRO 42 Ca -0.07 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 2aff n PRO 42 Cb 0.51 -1.71 0.25 0.00 -0.04 0.00 0.00 33.50 32.51 2aff n PRO 42 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2aff n VAL 43 N -1.92 0.76 -3.40 0.52 0.24 -1.26 -4.92 118.33 108.34 2aff n VAL 43 Ca 0.03 -0.88 -0.37 0.00 -2.04 0.00 0.00 64.34 61.08 2aff n VAL 43 Cb 0.23 0.73 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 2aff n VAL 43 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2aff s VAL 44 N -1.19 5.23 1.07 3.34 1.01 -1.02 -4.91 120.40 123.93 2aff s VAL 44 Ca 0.40 0.80 -0.12 0.00 0.00 0.00 0.00 61.98 63.05 2aff s VAL 44 Cb 0.22 -3.75 0.23 0.00 0.00 0.00 0.00 36.38 33.08 2aff s VAL 44 CO 0.30 0.35 1.06 -0.55 0.00 0.00 0.00 175.10 176.25 2aff s SER 45 N 0.58 1.83 0.16 3.32 0.15 -1.26 -4.48 113.70 113.99 2aff s SER 45 Ca 0.22 1.49 -0.13 0.00 0.70 0.00 0.00 55.95 58.23 2aff s SER 45 Cb -0.14 -2.20 0.05 0.00 -1.71 0.00 0.00 66.02 62.02 2aff s SER 45 CO 0.08 -3.67 1.71 0.11 1.20 0.00 0.00 173.24 172.67 2aff h LYS 46 N -2.26 0.80 0.00 5.44 1.57 -1.93 -2.23 116.57 117.97 2aff h LYS 46 Ca -0.57 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.07 2aff h LYS 46 Cb 1.32 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2aff h LYS 46 CO 0.52 0.70 -0.62 1.04 -0.57 0.00 0.00 179.45 180.52 2aff n GLN 47 N -4.52 3.25 0.00 3.15 6.02 -1.26 -2.40 117.38 121.63 2aff n GLN 47 Ca 0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2aff n GLN 47 Cb 0.16 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.43 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2aff n HIS 48 N -1.33 0.00 -4.41 1.08 -0.00 -1.03 -3.97 115.22 105.56 2aff n HIS 48 Ca 0.01 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.99 2aff n HIS 48 Cb 0.16 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.88 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2aff s LYS 50 N 0.16 1.89 -0.12 0.00 2.20 -0.45 0.12 119.74 123.55 2aff s LYS 50 Ca -0.03 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.12 2aff s LYS 50 Cb -0.08 -1.62 -0.02 0.00 -1.51 0.00 0.00 37.83 34.59 2aff s LYS 50 CO 0.00 -0.04 -0.09 0.42 -0.36 0.00 0.00 175.35 175.29 2aff s ILE 51 N 0.90 3.48 -0.11 5.43 1.01 0.12 0.28 121.20 132.30 2aff s ILE 51 Ca -0.09 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2aff s ILE 51 Cb -0.15 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 2aff s ILE 51 CO 0.01 0.54 -0.14 -1.61 0.00 0.00 0.00 174.94 173.73 2aff s GLU 52 N -0.01 3.22 -0.32 2.79 2.02 -0.61 -1.53 118.70 124.26 2aff s GLU 52 Ca -0.01 -0.70 -0.10 0.00 0.02 0.00 0.00 54.97 54.18 2aff s GLU 52 Cb -0.14 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 2aff s GLU 52 CO 0.03 0.28 0.17 0.42 0.02 0.00 0.00 175.26 176.19 2aff s ILE 53 N 0.16 4.73 -0.05 -1.63 -1.09 0.32 -1.96 121.20 121.67 2aff s ILE 53 Ca -0.08 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 57.99 2aff s ILE 53 Cb -0.15 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 2aff s ILE 53 CO 0.05 0.04 -0.20 -1.00 -1.23 0.00 0.00 174.94 172.60 2aff s HIS 54 N 1.63 2.56 0.46 3.97 3.76 0.16 -4.91 115.29 122.92 2aff s HIS 54 Ca 0.05 -0.43 0.35 0.00 -0.15 0.00 0.00 55.06 54.87 2aff s HIS 54 Cb -0.17 -1.62 1.53 0.00 1.11 0.00 0.00 32.58 33.43 2aff s HIS 54 CO 0.07 -0.02 1.58 0.93 -0.85 0.00 0.00 174.74 176.45 2aff h GLU 55 N 5.73 0.01 0.23 1.40 4.39 -2.01 0.20 114.58 124.52 2aff h GLU 55 Ca -0.39 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 2aff h GLU 55 Cb 1.16 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2aff h GLU 55 CO 0.49 0.00 -0.11 1.96 -1.16 0.00 0.00 179.01 180.19 2aff h GLN 56 N 0.01 -0.30 0.00 2.33 1.08 -2.02 -3.49 115.11 112.72 2aff h GLN 56 Ca 0.89 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 58.11 2aff h GLN 56 Cb 2.95 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 30.44 2aff h GLN 56 CO -0.42 -0.20 0.00 -1.91 -0.95 0.00 0.00 178.83 175.35 2aff n GLU 57 N -3.01 0.00 -4.98 1.46 4.07 0.69 -5.16 120.64 113.70 2aff n GLU 57 Ca -0.04 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.74 2aff n GLU 57 Cb 0.12 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.34 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2aff s ALA 58 N -1.22 2.21 -0.12 4.31 0.00 -1.26 -0.67 121.76 125.02 2aff s ALA 58 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2aff s ALA 58 Cb 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 2aff s ALA 58 CO 0.00 0.16 -0.17 0.42 0.00 0.00 0.00 175.76 176.17 2aff s ILE 59 N 0.54 2.73 -0.20 0.00 1.01 -0.83 0.55 121.20 125.00 2aff s ILE 59 Ca -0.14 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 2aff s ILE 59 Cb -0.17 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 2aff s ILE 59 CO 0.04 0.54 0.28 -0.22 0.00 0.00 0.00 174.94 175.58 2aff s LEU 60 N 0.29 4.18 -0.10 2.97 2.96 0.31 -1.57 118.68 127.72 2aff s LEU 60 Ca -0.12 0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 54.17 2aff s LEU 60 Cb -0.16 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 2aff s LEU 60 CO 0.06 0.04 -0.07 -1.00 -1.32 0.00 0.00 176.35 174.07 2aff s HIS 61 N 0.86 2.94 -0.40 5.38 3.76 0.14 -1.95 115.29 126.03 2aff s HIS 61 Ca 0.14 -0.14 -0.16 0.00 -0.15 0.00 0.00 55.06 54.75 2aff s HIS 61 Cb -0.13 -1.79 0.01 0.00 1.11 0.00 0.00 32.58 31.78 2aff s HIS 61 CO 0.05 0.17 0.40 1.21 -0.85 0.00 0.00 174.74 175.72 2aff s ASN 62 N -0.37 6.18 0.00 1.40 3.84 -1.26 -1.34 114.94 123.40 2aff s ASN 62 Ca 0.05 -0.56 0.22 0.00 0.21 0.00 0.00 52.86 52.78 2aff s ASN 62 Cb -0.12 -2.21 -0.14 0.00 -0.55 0.00 0.00 41.25 38.23 2aff s ASN 62 CO 0.02 -0.49 0.97 0.49 -2.79 0.00 0.00 177.10 175.30 2aff n PHE 63 N 5.49 0.00 -2.08 0.43 3.01 -0.51 -4.84 117.46 118.97 2aff n PHE 63 Ca -0.08 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.00 2aff n PHE 63 Cb 0.48 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 2aff n PHE 63 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -2.82 5.33 0.00 4.37 0.15 -0.54 -4.60 113.70 115.58 2aff s SER 64 Ca 0.12 0.20 0.28 0.00 0.70 0.00 0.00 55.95 57.25 2aff s SER 64 Cb 0.17 -2.53 1.10 0.00 -1.71 0.00 0.00 66.02 63.05 2aff s SER 64 CO 0.77 -2.36 1.79 -1.54 1.20 0.00 0.00 173.24 173.10 2aff n SER 65 N 12.58 0.45 -0.11 5.45 3.41 -1.26 -3.48 113.62 130.65 2aff n SER 65 Ca 0.21 -0.41 -0.15 0.00 -0.26 0.00 0.00 58.87 58.25 2aff n SER 65 Cb 0.51 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2aff n THR 66 N -1.07 1.32 -3.44 6.66 -1.04 -1.26 -4.89 114.28 110.55 2aff n THR 66 Ca 0.12 -0.56 -0.21 0.00 -2.04 0.00 0.00 64.05 61.35 2aff n THR 66 Cb 0.30 -1.17 -0.11 0.00 -1.82 0.00 0.00 70.33 67.53 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2aff s ASN 67 N -6.06 2.22 0.55 8.00 0.01 -1.25 -5.15 114.94 113.27 2aff s ASN 67 Ca -0.27 -1.17 -0.20 0.00 -0.71 0.00 0.00 52.86 50.50 2aff s ASN 67 Cb 0.08 0.20 -0.06 0.00 0.41 0.00 0.00 41.25 41.87 2aff s ASN 67 CO 0.58 -0.37 1.04 -2.65 -1.51 0.00 0.00 177.10 174.19 2aff n PRO 68 N 5.00 1.14 -2.36 -0.60 -0.02 -1.23 -4.67 135.00 132.27 2aff n PRO 68 Ca 0.00 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 2aff n PRO 68 Cb 0.44 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 2aff n PRO 68 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2aff s THR 69 N -1.42 3.34 -0.12 3.45 2.01 -1.26 -4.73 115.64 116.91 2aff s THR 69 Ca 0.72 1.26 -0.06 0.00 0.31 0.00 0.00 61.69 63.92 2aff s THR 69 Cb -0.45 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2aff s THR 69 CO 0.50 0.26 0.11 -1.10 -0.69 0.00 0.00 174.62 173.70 2aff s GLN 70 N -1.04 3.41 -0.04 4.92 -0.21 -0.92 -1.17 119.66 124.61 2aff s GLN 70 Ca 0.49 -0.20 0.03 0.00 0.02 0.00 0.00 55.36 55.69 2aff s GLN 70 Cb -0.34 -3.12 0.01 0.00 1.00 0.00 0.00 33.01 30.55 2aff s GLN 70 CO 0.42 0.72 -0.11 0.08 -2.12 0.00 0.00 175.29 174.28 2aff s VAL 71 N -0.87 0.96 -1.38 1.09 1.01 0.16 0.19 120.40 121.55 2aff s VAL 71 Ca 0.14 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2aff s VAL 71 Cb -0.12 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.42 2aff s VAL 71 CO 0.03 0.30 0.26 0.59 0.00 0.00 0.00 175.10 176.27 2aff n ASN 72 N 3.42 -4.84 -0.86 3.32 3.02 -0.72 -0.26 115.26 118.33 2aff n ASN 72 Ca -0.20 -0.09 -0.08 0.00 -0.03 0.00 0.00 54.58 54.18 2aff n ASN 72 Cb 0.53 -4.01 -0.01 0.00 -0.61 0.00 0.00 39.78 35.68 2aff n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aff n GLY 73 N -1.11 0.29 2.83 7.41 0.00 -1.26 -5.03 105.19 108.32 2aff n GLY 73 Ca -0.13 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 2aff n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aff s SER 74 N -2.70 0.35 0.39 1.61 0.01 0.64 -5.10 113.70 108.89 2aff s SER 74 Ca 0.00 -0.02 -0.26 0.00 1.31 0.00 0.00 55.95 56.97 2aff s SER 74 Cb 0.00 -0.17 -0.09 0.00 0.21 0.00 0.00 66.02 65.97 2aff s SER 74 CO 0.00 -0.08 1.26 0.54 0.41 0.00 0.00 173.24 175.37 2aff s VAL 75 N 0.83 2.80 -0.18 3.43 0.11 -1.26 0.36 120.40 126.49 2aff s VAL 75 Ca -0.08 0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 59.68 2aff s VAL 75 Cb -0.11 -3.43 -0.00 0.00 -1.53 0.00 0.00 36.38 31.30 2aff s VAL 75 CO -0.02 0.11 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.13 2aff s ILE 76 N -1.27 2.96 -0.12 7.04 1.01 -0.32 -4.88 121.20 125.62 2aff s ILE 76 Ca 0.55 -0.66 0.20 0.00 0.00 0.00 0.00 60.65 60.74 2aff s ILE 76 Cb -0.36 -2.29 -0.22 0.00 0.01 0.00 0.00 42.46 39.60 2aff s ILE 76 CO 0.47 0.49 0.54 0.47 0.00 0.00 0.00 174.94 176.90 2aff n ASP 77 N 4.28 0.34 -4.35 3.58 8.00 -1.26 -4.33 116.55 122.81 2aff n ASP 77 Ca -0.19 0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.23 2aff n ASP 77 Cb 0.51 1.06 -0.10 0.00 -0.02 0.00 0.00 41.12 42.58 2aff n ASP 77 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2aff s GLU 78 N -3.08 1.71 0.55 -1.24 0.41 -1.26 -4.95 118.70 110.84 2aff s GLU 78 Ca -0.06 -1.98 -0.22 0.00 -0.41 0.00 0.00 54.97 52.30 2aff s GLU 78 Cb 0.10 -0.73 -0.05 0.00 -1.78 0.00 0.00 34.13 31.67 2aff s GLU 78 CO 0.85 -0.29 1.36 -2.14 -0.49 0.00 0.00 175.26 174.55 2aff s PRO 79 N -3.86 3.12 0.01 0.39 0.02 -1.26 -4.74 135.00 128.67 2aff s PRO 79 Ca 0.33 2.23 -0.00 0.00 0.02 0.00 0.00 61.00 63.58 2aff s PRO 79 Cb 0.07 -2.24 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 2aff s PRO 79 CO 0.15 -1.21 -0.01 0.54 -0.33 0.00 0.00 177.00 176.14 2aff s VAL 80 N -1.31 0.05 0.01 3.83 0.11 -0.83 -4.98 120.40 117.30 2aff s VAL 80 Ca 0.72 -0.45 -0.30 0.00 -2.93 0.00 0.00 61.98 59.02 2aff s VAL 80 Cb -0.40 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 2aff s VAL 80 CO 0.48 -0.25 1.06 -0.13 -3.33 0.00 0.00 175.10 172.93 2aff s ARG 81 N -0.72 4.50 0.05 1.54 0.52 -1.26 -0.53 118.95 123.04 2aff s ARG 81 Ca -0.08 1.55 -0.23 0.00 -0.52 0.00 0.00 55.73 56.45 2aff s ARG 81 Cb -0.05 -3.43 -0.06 0.00 0.52 0.00 0.00 34.95 31.93 2aff s ARG 81 CO -0.00 -0.14 0.69 -0.51 0.02 0.00 0.00 175.30 175.35 2aff s LEU 82 N 1.11 4.46 0.10 2.53 1.43 0.19 -4.92 118.68 123.59 2aff s LEU 82 Ca 0.54 1.35 0.05 0.00 -1.03 0.00 0.00 54.13 55.04 2aff s LEU 82 Cb -0.24 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2aff s LEU 82 CO 0.28 0.10 -0.12 -0.75 0.23 0.00 0.00 176.35 176.08 2aff s LYS 83 N -0.35 0.92 -0.18 1.70 2.20 -1.26 -4.41 119.74 118.36 2aff s LYS 83 Ca 0.35 -1.16 -0.35 0.00 -0.36 0.00 0.00 55.97 54.44 2aff s LYS 83 Cb -0.20 -0.74 -0.12 0.00 -1.51 0.00 0.00 37.83 35.27 2aff s LYS 83 CO 0.21 0.14 1.95 1.58 -0.36 0.00 0.00 175.35 178.86 2aff n HIS 84 N 0.65 2.12 0.00 4.03 -0.00 -1.26 -1.28 115.22 119.48 2aff n HIS 84 Ca -0.17 0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 2aff n HIS 84 Cb 0.57 -2.61 0.00 0.00 -0.00 0.00 0.00 29.99 27.95 2aff n HIS 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2aff n GLY 85 N 4.89 1.85 3.75 1.57 0.00 -0.62 -4.97 105.19 111.68 2aff n GLY 85 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 2aff n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aff s ASP 86 N -0.99 6.75 -0.11 1.61 1.01 -0.40 -4.74 116.67 119.79 2aff s ASP 86 Ca 0.00 2.63 0.00 0.00 0.71 0.00 0.00 52.55 55.89 2aff s ASP 86 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2aff s ASP 86 CO 0.00 -0.60 -0.12 -0.69 0.21 0.00 0.00 175.17 173.97 2aff s VAL 87 N -0.46 3.18 -0.12 -1.27 1.01 -1.26 -1.83 120.40 119.64 2aff s VAL 87 Ca 0.54 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 2aff s VAL 87 Cb -0.40 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2aff s VAL 87 CO 0.46 0.54 0.41 -0.63 0.00 0.00 0.00 175.10 175.88 2aff s ILE 88 N 0.05 5.22 -0.12 2.22 1.01 -0.10 -1.76 121.20 127.72 2aff s ILE 88 Ca -0.04 0.81 0.02 0.00 0.00 0.00 0.00 60.65 61.44 2aff s ILE 88 Cb -0.14 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 2aff s ILE 88 CO 0.04 0.37 -0.21 -0.89 0.00 0.00 0.00 174.94 174.25 2aff s THR 89 N 0.44 2.31 -0.15 2.92 2.01 0.50 0.18 115.64 123.85 2aff s THR 89 Ca 0.23 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.32 2aff s THR 89 Cb -0.14 -1.92 0.00 0.00 0.01 0.00 0.00 72.50 70.45 2aff s THR 89 CO 0.08 0.55 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.75 2aff s ILE 90 N 0.51 2.38 0.00 1.82 1.01 0.70 -2.16 121.20 125.47 2aff s ILE 90 Ca -0.13 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.66 2aff s ILE 90 Cb -0.17 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.31 2aff s ILE 90 CO 0.05 0.53 0.00 -0.38 0.00 0.00 0.00 174.94 175.14 2aff n ILE 91 N 4.13 0.00 -0.58 2.92 2.08 -1.26 0.33 119.36 126.98 2aff n ILE 91 Ca -0.20 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.17 2aff n ILE 91 Cb 0.51 0.00 0.11 0.00 -0.75 0.00 0.00 39.64 39.51 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2aff n ASP 92 N 1.55 2.51 -4.18 4.38 2.03 -1.26 -5.01 116.55 116.58 2aff n ASP 92 Ca 0.00 -2.58 -0.23 0.00 0.52 0.00 0.00 54.79 52.50 2aff n ASP 92 Cb 0.00 -0.27 -0.14 0.00 -0.72 0.00 0.00 41.12 39.98 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2aff s ARG 93 N -2.00 1.24 0.07 -0.67 0.52 0.99 -4.19 118.95 114.91 2aff s ARG 93 Ca 0.21 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 2aff s ARG 93 Cb 0.17 -1.27 -0.03 0.00 0.52 0.00 0.00 34.95 34.34 2aff s ARG 93 CO 0.04 0.33 -0.07 -1.12 0.02 0.00 0.00 175.30 174.50 2aff s SER 94 N -0.89 1.02 -0.12 0.23 0.01 -1.26 0.25 113.70 112.94 2aff s SER 94 Ca 0.05 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2aff s SER 94 Cb -0.08 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.23 2aff s SER 94 CO 0.01 -0.32 -0.11 -0.36 0.41 0.00 0.00 173.24 172.87 2aff s PHE 95 N -2.39 1.73 -0.02 2.43 0.40 0.13 -1.03 117.98 119.22 2aff s PHE 95 Ca 0.00 -0.88 -0.21 0.00 -0.60 0.00 0.00 56.93 55.25 2aff s PHE 95 Cb -0.03 -1.34 -0.05 0.00 0.51 0.00 0.00 43.02 42.11 2aff s PHE 95 CO -0.02 -0.53 0.61 0.50 0.70 0.00 0.00 175.22 176.48 2aff s ARG 96 N 1.46 4.35 -0.22 0.44 3.52 -0.87 -0.93 118.95 126.70 2aff s ARG 96 Ca 0.02 0.74 -0.17 0.00 -0.13 0.00 0.00 55.73 56.19 2aff s ARG 96 Cb -0.13 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 2aff s ARG 96 CO -0.07 0.29 0.47 -0.47 -0.81 0.00 0.00 175.30 174.71 2aff s TYR 97 N 0.06 3.33 -0.16 5.12 5.04 -0.76 -2.12 117.35 127.86 2aff s TYR 97 Ca 0.32 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 2aff s TYR 97 Cb -0.18 -2.63 0.03 0.00 0.35 0.00 0.00 41.96 39.53 2aff s TYR 97 CO 0.17 -0.13 -0.13 -1.21 -1.34 0.00 0.00 175.55 172.90 2aff s GLU 98 N 1.76 2.23 -0.50 4.97 2.02 -0.45 -1.58 118.70 127.15 2aff s GLU 98 Ca 0.21 -0.62 -0.16 0.00 0.02 0.00 0.00 54.97 54.43 2aff s GLU 98 Cb -0.15 -2.17 0.10 0.00 0.10 0.00 0.00 34.13 32.01 2aff s GLU 98 CO 0.09 -0.28 0.44 1.21 0.02 0.00 0.00 175.26 176.74 2aff s ASN 99 N 1.47 6.15 0.00 -0.19 3.84 -1.26 -1.22 114.94 123.73 2aff s ASN 99 Ca 0.04 -1.56 0.31 0.00 0.21 0.00 0.00 52.86 51.86 2aff s ASN 99 Cb -0.14 -2.19 1.67 0.00 -0.55 0.00 0.00 41.25 40.04 2aff s ASN 99 CO -0.10 -0.75 2.09 -0.62 -2.79 0.00 0.00 177.10 174.93