#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 1.55 -3.14 0.52 -2.24 -1.26 -4.91 114.28 104.81 2aff n THR 4 Ca 0.00 -2.50 -0.39 0.00 -2.27 0.00 0.00 64.05 58.89 2aff n THR 4 Cb 0.00 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.29 4.39 -0.00 -0.78 0.52 -1.26 -2.29 118.95 117.24 2aff s ARG 5 Ca 0.35 0.76 0.03 0.00 -0.52 0.00 0.00 55.73 56.35 2aff s ARG 5 Cb 0.36 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 2aff s ARG 5 CO -0.08 0.17 -0.09 1.03 0.02 0.00 0.00 175.30 176.35 2aff s ARG 6 N 0.47 0.71 -0.09 3.54 0.52 0.27 -1.74 118.95 122.62 2aff s ARG 6 Ca 0.33 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 2aff s ARG 6 Cb -0.17 -0.67 -0.01 0.00 0.52 0.00 0.00 34.95 34.61 2aff s ARG 6 CO 0.16 0.18 -0.20 -1.17 0.02 0.00 0.00 175.30 174.30 2aff s LEU 7 N -0.36 2.36 -0.15 2.53 2.96 -0.95 -0.99 118.68 124.08 2aff s LEU 7 Ca 0.02 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 2aff s LEU 7 Cb -0.04 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 2aff s LEU 7 CO -0.00 0.21 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.53 2aff s VAL 8 N 0.04 4.01 -0.31 1.68 1.01 -0.67 0.94 120.40 127.11 2aff s VAL 8 Ca -0.08 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 2aff s VAL 8 Cb -0.15 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 2aff s VAL 8 CO 0.05 0.50 0.48 -0.89 0.00 0.00 0.00 175.10 175.25 2aff s THR 9 N 0.22 5.06 0.26 3.92 2.01 -0.93 -1.78 115.64 124.40 2aff s THR 9 Ca -0.02 0.54 -0.25 0.00 0.31 0.00 0.00 61.69 62.28 2aff s THR 9 Cb -0.14 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.41 2aff s THR 9 CO 0.03 -0.05 0.85 -0.63 -0.69 0.00 0.00 174.62 174.13 2aff s ILE 10 N 2.30 4.32 0.42 1.82 -1.09 -0.88 -2.18 121.20 125.91 2aff s ILE 10 Ca 0.19 1.68 -0.02 0.00 -2.23 0.00 0.00 60.65 60.26 2aff s ILE 10 Cb -0.16 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.67 2aff s ILE 10 CO 0.11 0.26 0.67 -0.54 -1.23 0.00 0.00 174.94 174.21 2aff s LYS 11 N -1.80 3.46 0.60 2.79 1.02 -0.36 -4.57 119.74 120.88 2aff s LYS 11 Ca 0.45 -0.10 0.31 0.00 0.02 0.00 0.00 55.97 56.64 2aff s LYS 11 Cb -0.19 -2.52 1.75 0.00 -0.52 0.00 0.00 37.83 36.35 2aff s LYS 11 CO 0.24 -0.06 2.12 0.00 -0.92 0.00 0.00 175.35 176.73 2aff h ARG 12 N 0.47 0.00 -0.00 1.68 3.08 -1.89 0.45 114.38 118.16 2aff h ARG 12 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2aff h ARG 12 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2aff h ARG 12 CO 0.61 0.00 -0.16 -1.13 -1.07 0.00 0.00 179.97 178.22 2aff n SER 13 N -3.65 0.26 -0.15 7.04 3.41 -1.26 -4.91 113.62 114.37 2aff n SER 13 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2aff n SER 13 Cb 0.29 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 1.42 1.01 3.31 5.00 0.00 0.16 -5.08 105.19 111.01 2aff n GLY 14 Ca 0.09 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2aff n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aff s VAL 15 N -2.30 2.51 0.18 1.61 1.01 -1.25 -4.85 120.40 117.31 2aff s VAL 15 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2aff s VAL 15 Cb 0.00 -1.99 -0.08 0.00 0.00 0.00 0.00 36.38 34.31 2aff s VAL 15 CO 0.00 0.55 1.31 -1.81 0.00 0.00 0.00 175.10 175.15 2aff s ASP 16 N 0.09 6.91 0.00 3.32 1.01 -1.26 -1.23 116.67 125.51 2aff s ASP 16 Ca -0.09 2.35 0.00 0.00 0.71 0.00 0.00 52.55 55.52 2aff s ASP 16 Cb -0.15 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.06 -0.53 0.00 0.61 0.21 0.00 0.00 175.17 175.51 2aff n GLY 17 N 2.58 2.65 3.78 0.21 0.00 -0.93 -4.95 105.19 108.53 2aff n GLY 17 Ca 0.07 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 3.23 4.02 -0.02 1.61 0.04 -1.26 -4.77 135.00 137.84 2aff s PRO 18 Ca 0.00 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.68 2aff s PRO 18 Cb 0.00 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2aff s PRO 18 CO 0.00 -0.30 -0.00 -1.01 0.04 0.00 0.00 177.00 175.73 2aff s HIS 19 N -1.60 3.08 -0.51 0.56 3.76 -1.26 -2.19 115.29 117.13 2aff s HIS 19 Ca 0.60 0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 55.60 2aff s HIS 19 Cb -0.25 -1.70 0.13 0.00 1.11 0.00 0.00 32.58 31.88 2aff s HIS 19 CO 0.31 0.45 0.30 0.12 -0.85 0.00 0.00 174.74 175.07 2aff s PHE 20 N -1.03 3.45 0.05 1.40 5.36 0.27 -4.96 117.98 122.53 2aff s PHE 20 Ca 0.18 -2.77 -0.33 0.00 -0.96 0.00 0.00 56.93 53.05 2aff s PHE 20 Cb -0.11 -3.10 -0.12 0.00 -0.34 0.00 0.00 43.02 39.35 2aff s PHE 20 CO 0.08 -0.87 1.79 -2.30 -1.46 0.00 0.00 175.22 172.46 2aff n PRO 21 N 3.78 2.39 -0.92 10.12 -0.02 -1.26 -2.25 135.00 146.85 2aff n PRO 21 Ca 0.04 0.87 -0.15 0.00 -2.02 0.00 0.00 63.50 62.24 2aff n PRO 21 Cb 0.38 -2.72 0.01 0.00 -0.02 0.00 0.00 33.50 31.15 2aff n PRO 21 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aff n LEU 22 N 5.50 6.25 0.31 2.45 4.77 -0.71 -4.38 117.00 131.18 2aff n LEU 22 Ca 0.20 -3.26 0.20 0.00 -0.03 0.00 0.00 56.01 53.11 2aff n LEU 22 Cb 0.32 -1.11 0.96 0.00 -2.33 0.00 0.00 43.42 41.26 2aff n LEU 22 CO 0.68 1.28 1.09 0.77 -1.33 0.00 0.00 177.39 179.88 2aff h SER 23 N 1.67 0.00 -3.87 -1.43 4.64 -1.89 -3.43 113.55 109.24 2aff h SER 23 Ca 0.25 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.08 2aff h SER 23 Cb 0.93 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.04 2aff h SER 23 CO 0.64 0.01 0.46 -0.76 -0.87 0.00 0.00 176.83 176.31 2aff s LEU 24 N -6.27 4.40 0.57 5.97 1.43 -1.26 -4.86 118.68 118.66 2aff s LEU 24 Ca -0.02 2.22 0.29 0.00 -1.03 0.00 0.00 54.13 55.59 2aff s LEU 24 Cb 0.11 -3.82 1.72 0.00 0.03 0.00 0.00 46.19 44.22 2aff s LEU 24 CO 0.48 -0.30 2.20 0.77 0.23 0.00 0.00 176.35 179.73 2aff h SER 25 N 3.32 0.00 -3.68 2.29 4.64 -1.88 -3.42 113.55 114.82 2aff h SER 25 Ca -0.47 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.47 2aff h SER 25 Cb 1.22 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.99 2aff h SER 25 CO 0.65 0.04 -0.77 -0.89 -0.87 0.00 0.00 176.83 174.99 2aff s THR 26 N -4.51 0.52 -0.12 2.95 2.01 -1.26 -0.96 115.64 114.27 2aff s THR 26 Ca -0.04 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.76 2aff s THR 26 Cb 0.15 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 72.18 2aff s THR 26 CO 0.56 0.19 -0.09 0.00 -0.69 0.00 0.00 174.62 174.58 2aff s LEU 28 N 1.64 2.11 -0.10 0.00 2.96 -1.26 0.36 118.68 124.38 2aff s LEU 28 Ca 0.05 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 2aff s LEU 28 Cb -0.13 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2aff s LEU 28 CO -0.09 0.08 0.12 -0.36 -1.32 0.00 0.00 176.35 174.78 2aff s PHE 29 N 0.82 3.51 -5.00 5.38 0.40 0.18 0.12 117.98 123.39 2aff s PHE 29 Ca -0.07 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.70 2aff s PHE 29 Cb -0.15 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.48 2aff s PHE 29 CO -0.02 0.68 0.00 0.41 0.70 0.00 0.00 175.22 176.99 2aff n GLY 30 N 1.87 -1.75 0.07 4.36 0.00 -0.96 -2.26 105.19 106.51 2aff n GLY 30 Ca -0.19 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 0.49 0.03 -6.93 1.61 3.08 -1.12 -2.74 114.38 108.80 2aff h ARG 31 Ca 0.00 -0.06 -0.56 0.00 0.07 0.00 0.00 59.98 59.43 2aff h ARG 31 Cb 0.00 0.02 0.17 0.00 0.08 0.00 0.00 29.97 30.24 2aff h ARG 31 CO 0.00 0.88 0.13 0.41 -1.07 0.00 0.00 179.97 180.32 2aff n GLY 32 N 1.45 -0.35 0.29 0.04 0.00 -0.99 -4.81 105.19 100.82 2aff n GLY 32 Ca -0.07 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 2aff n GLY 32 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2aff h ILE 33 N -0.02 1.27 -0.09 -0.61 6.09 -1.90 -2.26 117.51 119.99 2aff h ILE 33 Ca -0.48 -1.20 0.03 0.00 -1.37 0.00 0.00 64.86 61.84 2aff h ILE 33 Cb 1.34 0.92 -0.00 0.00 0.47 0.00 0.00 36.82 39.55 2aff h ILE 33 CO 0.48 0.43 0.34 -0.33 -3.07 0.00 0.00 178.15 175.99 2aff h GLU 34 N 0.89 0.00 -6.23 2.19 5.08 -1.94 -3.40 114.58 111.17 2aff h GLU 34 Ca 0.15 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.95 2aff h GLU 34 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2aff h GLU 34 CO 0.04 0.00 1.25 0.00 -1.00 0.00 0.00 179.01 179.30 2aff h ASP 36 N 11.71 0.00 -3.28 0.00 2.03 -0.54 -3.33 116.42 123.01 2aff h ASP 36 Ca -0.41 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.39 2aff h ASP 36 Cb 1.21 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 39.35 2aff h ASP 36 CO 0.97 0.00 -0.80 -0.63 -1.03 0.00 0.00 179.24 177.75 2aff s ILE 37 N -4.49 0.91 -0.14 4.15 1.01 -0.76 -4.95 121.20 116.93 2aff s ILE 37 Ca -0.04 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 2aff s ILE 37 Cb 0.14 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2aff s ILE 37 CO 0.48 0.33 0.06 -0.13 0.00 0.00 0.00 174.94 175.68 2aff s ARG 38 N 1.40 3.60 -0.11 2.79 0.52 -1.25 -2.27 118.95 123.62 2aff s ARG 38 Ca -0.02 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 2aff s ARG 38 Cb -0.13 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 2aff s ARG 38 CO -0.04 0.49 -0.20 0.42 0.02 0.00 0.00 175.30 175.99 2aff s ILE 39 N -0.25 2.41 0.00 1.52 1.01 -1.03 -4.97 121.20 119.88 2aff s ILE 39 Ca 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2aff s ILE 39 Cb -0.12 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.40 2aff s ILE 39 CO 0.02 0.55 1.00 0.00 0.00 0.00 0.00 174.94 176.50 2aff n GLN 40 N 3.46 0.96 -3.39 2.79 6.02 -1.26 -4.57 117.38 121.39 2aff n GLN 40 Ca -0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.42 2aff n GLN 40 Cb 0.53 -1.02 -0.08 0.00 1.02 0.00 0.00 30.24 30.69 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 0.00 4.11 0.04 1.08 1.43 -1.26 -4.95 118.68 119.13 2aff s LEU 41 Ca 0.00 0.43 0.18 0.00 -1.03 0.00 0.00 54.13 53.72 2aff s LEU 41 Cb 0.00 -2.48 0.78 0.00 0.03 0.00 0.00 46.19 44.51 2aff s LEU 41 CO 0.00 -0.12 1.59 -0.81 0.23 0.00 0.00 176.35 177.23 2aff n PRO 42 N 4.82 0.03 -0.31 1.29 -0.04 -1.26 -2.42 135.00 137.11 2aff n PRO 42 Ca -0.08 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 2aff n PRO 42 Cb 0.51 -1.56 0.28 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.62 0.83 -3.88 0.52 0.24 -1.26 -4.92 118.33 108.24 2aff n VAL 43 Ca 0.04 -0.92 -0.36 0.00 -2.04 0.00 0.00 64.34 61.06 2aff n VAL 43 Cb 0.21 0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 33.18 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 -1.16 5.37 1.04 3.34 1.01 -1.01 -4.95 120.40 124.03 2aff s VAL 44 Ca 0.45 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 2aff s VAL 44 Cb 0.24 -3.37 0.21 0.00 0.00 0.00 0.00 36.38 33.47 2aff s VAL 44 CO 0.32 0.56 1.08 -0.44 0.00 0.00 0.00 175.10 176.62 2aff s SER 45 N -0.57 2.18 0.22 3.32 0.01 -1.26 -4.54 113.70 113.06 2aff s SER 45 Ca 0.12 1.27 -0.08 0.00 1.31 0.00 0.00 55.95 58.57 2aff s SER 45 Cb -0.12 -1.96 0.18 0.00 0.21 0.00 0.00 66.02 64.33 2aff s SER 45 CO 0.02 -3.42 1.82 0.11 0.41 0.00 0.00 173.24 172.18 2aff h LYS 46 N -2.09 1.20 0.00 12.44 1.57 -1.93 -2.19 116.57 125.56 2aff h LYS 46 Ca -0.56 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 2aff h LYS 46 Cb 1.33 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2aff h LYS 46 CO 0.56 0.92 -0.39 1.04 -0.57 0.00 0.00 179.45 181.00 2aff n GLN 47 N -4.33 4.52 0.00 3.15 6.02 -1.26 -2.34 117.38 123.14 2aff n GLN 47 Ca 0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2aff n GLN 47 Cb 0.13 -0.81 0.00 0.00 1.02 0.00 0.00 30.24 30.58 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 -1.20 0.00 -4.23 1.08 -0.00 -0.96 -3.90 115.22 106.01 2aff n HIS 48 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.56 2aff n HIS 48 Cb 0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.94 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2aff s LYS 50 N -0.10 2.21 -0.10 0.00 2.20 -0.48 0.48 119.74 123.95 2aff s LYS 50 Ca 0.02 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.07 2aff s LYS 50 Cb -0.03 -1.78 -0.02 0.00 -1.51 0.00 0.00 37.83 34.49 2aff s LYS 50 CO -0.00 0.04 -0.16 0.42 -0.36 0.00 0.00 175.35 175.29 2aff s ILE 51 N 0.67 2.83 -0.14 5.43 1.01 0.16 0.38 121.20 131.53 2aff s ILE 51 Ca -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2aff s ILE 51 Cb -0.16 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 2aff s ILE 51 CO 0.04 0.55 -0.14 -1.61 0.00 0.00 0.00 174.94 173.77 2aff s GLU 52 N -0.00 3.28 -0.33 2.79 2.02 -0.35 -1.44 118.70 124.67 2aff s GLU 52 Ca -0.05 -0.73 -0.07 0.00 0.02 0.00 0.00 54.97 54.14 2aff s GLU 52 Cb -0.14 -2.62 0.03 0.00 0.10 0.00 0.00 34.13 31.49 2aff s GLU 52 CO 0.04 0.09 0.11 0.42 0.02 0.00 0.00 175.26 175.95 2aff s ILE 53 N 0.63 3.96 -0.00 -1.63 1.01 -0.13 -0.89 121.20 124.16 2aff s ILE 53 Ca -0.08 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.69 2aff s ILE 53 Cb -0.16 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 2aff s ILE 53 CO 0.03 -0.08 -0.07 -1.00 0.00 0.00 0.00 174.94 173.82 2aff s HIS 54 N 1.46 2.90 0.61 3.97 3.76 0.35 -4.83 115.29 123.51 2aff s HIS 54 Ca 0.01 -0.03 0.25 0.00 -0.15 0.00 0.00 55.06 55.13 2aff s HIS 54 Cb -0.18 -1.62 0.90 0.00 1.11 0.00 0.00 32.58 32.79 2aff s HIS 54 CO 0.03 0.37 1.33 0.93 -0.85 0.00 0.00 174.74 176.55 2aff h GLU 55 N 4.57 0.00 0.07 1.40 5.08 -2.01 0.33 114.58 124.01 2aff h GLU 55 Ca -0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2aff h GLU 55 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2aff h GLU 55 CO 0.54 0.00 -0.03 1.96 -1.00 0.00 0.00 179.01 180.47 2aff h GLN 56 N 0.00 -0.09 0.00 2.33 1.08 -2.01 -3.49 115.11 112.93 2aff h GLN 56 Ca 0.44 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 2aff h GLN 56 Cb 2.73 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 30.18 2aff h GLN 56 CO -0.00 -0.06 0.00 -1.91 -0.95 0.00 0.00 178.83 175.91 2aff n GLU 57 N -2.40 0.00 -4.22 1.46 4.07 0.12 -5.15 120.64 114.52 2aff n GLU 57 Ca -0.01 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.75 2aff n GLU 57 Cb 0.04 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.28 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 -1.04 2.88 -0.13 4.31 0.00 -1.26 -0.50 121.76 126.03 2aff s ALA 58 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2aff s ALA 58 Cb 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 2aff s ALA 58 CO 0.00 -0.08 -0.15 0.42 0.00 0.00 0.00 175.76 175.95 2aff s ILE 59 N 0.89 2.87 -0.23 0.00 1.01 -0.07 0.20 121.20 125.88 2aff s ILE 59 Ca -0.01 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 2aff s ILE 59 Cb -0.15 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2aff s ILE 59 CO 0.01 0.53 0.39 -0.22 0.00 0.00 0.00 174.94 175.65 2aff s LEU 60 N 0.39 4.11 -0.09 2.97 2.96 0.91 -1.21 118.68 128.73 2aff s LEU 60 Ca -0.12 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 2aff s LEU 60 Cb -0.16 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 2aff s LEU 60 CO 0.06 -0.12 -0.09 -1.00 -1.32 0.00 0.00 176.35 173.88 2aff s HIS 61 N 1.59 2.88 -0.48 5.38 3.76 0.16 -1.28 115.29 127.29 2aff s HIS 61 Ca 0.18 -0.19 -0.17 0.00 -0.15 0.00 0.00 55.06 54.73 2aff s HIS 61 Cb -0.15 -1.76 0.07 0.00 1.11 0.00 0.00 32.58 31.85 2aff s HIS 61 CO 0.08 0.14 0.48 1.21 -0.85 0.00 0.00 174.74 175.80 2aff s ASN 62 N -0.38 6.17 0.00 1.40 2.47 -1.26 -1.38 114.94 121.96 2aff s ASN 62 Ca 0.05 -1.17 0.23 0.00 0.42 0.00 0.00 52.86 52.39 2aff s ASN 62 Cb -0.12 -2.22 0.18 0.00 -1.45 0.00 0.00 41.25 37.64 2aff s ASN 62 CO 0.02 -0.73 1.20 0.49 -3.72 0.00 0.00 177.10 174.36 2aff n PHE 63 N 5.55 0.00 -2.53 0.43 3.01 -0.64 -4.80 117.46 118.47 2aff n PHE 63 Ca -0.10 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.95 2aff n PHE 63 Cb 0.44 -0.07 -0.03 0.00 -0.01 0.00 0.00 39.48 39.81 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 -2.73 6.15 0.26 4.37 0.15 -0.18 -4.67 113.70 117.04 2aff s SER 64 Ca 0.15 -0.34 0.24 0.00 0.70 0.00 0.00 55.95 56.70 2aff s SER 64 Cb 0.18 -2.56 0.34 0.00 -1.71 0.00 0.00 66.02 62.27 2aff s SER 64 CO 0.67 -1.82 1.42 0.28 1.20 0.00 0.00 173.24 174.99 2aff h SER 65 N 10.22 0.00 0.28 5.45 0.02 -1.91 -3.16 113.55 124.46 2aff h SER 65 Ca -0.28 -0.05 -0.34 0.00 -0.84 0.00 0.00 61.79 60.29 2aff h SER 65 Cb 1.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 2aff h SER 65 CO 1.26 0.03 -1.83 0.74 -1.14 0.00 0.00 176.83 175.89 2aff h THR 66 N 0.00 0.78 -2.34 -2.27 2.02 -2.01 -3.44 112.91 105.66 2aff h THR 66 Ca 0.00 -2.52 -0.44 0.00 0.77 0.00 0.00 66.41 64.22 2aff h THR 66 Cb 0.89 2.54 -0.36 0.00 -1.74 0.00 0.00 68.15 69.48 2aff h THR 66 CO 0.00 0.77 -0.73 0.20 0.37 0.00 0.00 175.52 176.13 2aff s ASN 67 N -6.79 2.26 0.55 4.18 0.01 -1.25 -5.14 114.94 108.76 2aff s ASN 67 Ca -0.15 -1.42 -0.21 0.00 -0.71 0.00 0.00 52.86 50.37 2aff s ASN 67 Cb 0.07 0.12 -0.05 0.00 0.41 0.00 0.00 41.25 41.80 2aff s ASN 67 CO 0.80 -0.35 1.23 -2.65 -1.51 0.00 0.00 177.10 174.63 2aff n PRO 68 N 4.73 1.47 -2.27 -0.60 -0.02 -1.19 -4.64 135.00 132.48 2aff n PRO 68 Ca 0.04 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 2aff n PRO 68 Cb 0.43 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.34 3.33 -0.12 3.45 2.01 -1.26 -4.75 115.64 116.96 2aff s THR 69 Ca 0.72 1.11 -0.07 0.00 0.31 0.00 0.00 61.69 63.76 2aff s THR 69 Cb -0.43 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2aff s THR 69 CO 0.49 0.17 0.15 -1.10 -0.69 0.00 0.00 174.62 173.65 2aff s GLN 70 N -0.23 3.48 -0.03 4.92 -0.21 -0.88 -1.74 119.66 124.96 2aff s GLN 70 Ca 0.55 -0.11 0.03 0.00 0.02 0.00 0.00 55.36 55.85 2aff s GLN 70 Cb -0.35 -3.20 0.00 0.00 1.00 0.00 0.00 33.01 30.46 2aff s GLN 70 CO 0.38 0.77 -0.11 0.08 -2.12 0.00 0.00 175.29 174.28 2aff s VAL 71 N -1.00 0.96 -1.26 1.09 1.01 0.18 0.16 120.40 121.54 2aff s VAL 71 Ca 0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 2aff s VAL 71 Cb -0.12 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2aff s VAL 71 CO 0.04 0.29 0.17 0.59 0.00 0.00 0.00 175.10 176.20 2aff n ASN 72 N 3.22 -4.43 -1.14 3.32 3.02 -0.67 0.76 115.26 119.35 2aff n ASN 72 Ca -0.18 -0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.26 2aff n ASN 72 Cb 0.54 -3.70 -0.01 0.00 -0.61 0.00 0.00 39.78 36.00 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 -1.00 0.01 2.83 7.41 0.00 -1.26 -5.02 105.19 108.16 2aff n GLY 73 Ca -0.13 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 2aff n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aff s SER 74 N -2.56 0.42 0.39 1.61 1.04 0.23 -5.10 113.70 109.74 2aff s SER 74 Ca 0.00 -0.03 -0.27 0.00 0.48 0.00 0.00 55.95 56.13 2aff s SER 74 Cb 0.00 -0.22 -0.10 0.00 0.10 0.00 0.00 66.02 65.81 2aff s SER 74 CO 0.00 -0.09 1.37 -0.69 0.98 0.00 0.00 173.24 174.81 2aff s VAL 75 N 0.94 2.39 -0.31 5.02 1.01 -1.26 0.51 120.40 128.70 2aff s VAL 75 Ca -0.10 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 2aff s VAL 75 Cb -0.13 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.06 2aff s VAL 75 CO -0.02 0.07 0.04 -0.63 0.00 0.00 0.00 175.10 174.57 2aff s ILE 76 N -1.19 3.38 0.14 2.22 1.01 -0.71 -4.87 121.20 121.18 2aff s ILE 76 Ca 0.55 -1.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 2aff s ILE 76 Cb -0.42 -2.88 -0.18 0.00 0.01 0.00 0.00 42.46 39.00 2aff s ILE 76 CO 0.55 -0.07 1.32 0.44 0.00 0.00 0.00 174.94 177.18 2aff h ASP 77 N 8.11 0.40 -3.55 3.58 3.32 -1.94 -3.41 116.42 122.93 2aff h ASP 77 Ca -0.24 -0.33 -0.54 0.00 0.02 0.00 0.00 57.03 55.93 2aff h ASP 77 Cb 1.08 -0.12 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 2aff h ASP 77 CO 0.57 1.14 -0.51 -1.61 -1.72 0.00 0.00 179.24 177.11 2aff s GLU 78 N -3.19 1.90 0.40 3.56 2.02 -1.26 -4.95 118.70 117.17 2aff s GLU 78 Ca -0.04 -2.15 -0.26 0.00 0.02 0.00 0.00 54.97 52.53 2aff s GLU 78 Cb 0.09 -0.47 -0.11 0.00 0.10 0.00 0.00 34.13 33.75 2aff s GLU 78 CO 0.85 -0.50 1.32 -2.30 0.02 0.00 0.00 175.26 174.65 2aff n PRO 79 N -0.87 2.12 -4.34 0.39 -0.02 -1.26 -4.73 135.00 126.28 2aff n PRO 79 Ca -0.04 0.75 -0.19 0.00 -2.02 0.00 0.00 63.50 62.00 2aff n PRO 79 Cb 0.65 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 2aff n PRO 79 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aff s VAL 80 N -1.16 0.69 0.09 -1.45 1.01 -0.40 -4.99 120.40 114.19 2aff s VAL 80 Ca 0.58 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 2aff s VAL 80 Cb -0.52 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 2aff s VAL 80 CO 0.60 0.21 1.17 -0.60 0.00 0.00 0.00 175.10 176.48 2aff s ARG 81 N -0.01 4.47 0.13 2.72 3.52 -1.26 -0.06 118.95 128.46 2aff s ARG 81 Ca 0.00 1.75 -0.21 0.00 -0.13 0.00 0.00 55.73 57.14 2aff s ARG 81 Cb -0.06 -3.33 -0.07 0.00 -1.56 0.00 0.00 34.95 29.93 2aff s ARG 81 CO -0.00 -0.17 0.65 -0.51 -0.81 0.00 0.00 175.30 174.46 2aff s LEU 82 N 0.69 4.51 0.09 -0.88 1.43 0.54 -4.87 118.68 120.19 2aff s LEU 82 Ca 0.56 1.39 0.03 0.00 -1.03 0.00 0.00 54.13 55.08 2aff s LEU 82 Cb -0.29 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 2aff s LEU 82 CO 0.31 0.21 -0.09 -0.54 0.23 0.00 0.00 176.35 176.47 2aff s LYS 83 N -1.30 0.80 -0.04 1.70 1.02 -1.26 -4.28 119.74 116.37 2aff s LYS 83 Ca 0.34 -1.16 -0.33 0.00 0.02 0.00 0.00 55.97 54.84 2aff s LYS 83 Cb -0.20 -0.39 -0.11 0.00 -0.52 0.00 0.00 37.83 36.62 2aff s LYS 83 CO 0.22 0.04 1.91 1.58 -0.92 0.00 0.00 175.35 178.18 2aff n HIS 84 N 0.49 2.40 0.00 3.18 -0.00 -1.26 -1.35 115.22 118.68 2aff n HIS 84 Ca -0.16 -0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.43 2aff n HIS 84 Cb 0.58 -2.71 0.00 0.00 -0.00 0.00 0.00 29.99 27.86 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 4.46 2.62 3.75 1.57 0.00 -0.99 -4.98 105.19 111.62 2aff n GLY 85 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.39 6.68 -0.10 1.61 1.01 -0.46 -4.80 116.67 119.23 2aff s ASP 86 Ca 0.00 2.65 0.01 0.00 0.71 0.00 0.00 52.55 55.92 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 -0.67 -0.12 -0.69 0.21 0.00 0.00 175.17 173.90 2aff s VAL 87 N -0.13 3.18 -0.18 -1.27 1.01 -1.26 -2.20 120.40 119.55 2aff s VAL 87 Ca 0.58 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2aff s VAL 87 Cb -0.41 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 2aff s VAL 87 CO 0.44 0.55 0.20 -0.63 0.00 0.00 0.00 175.10 175.66 2aff s ILE 88 N -0.07 5.37 -0.14 2.22 1.01 -0.76 -1.68 121.20 127.15 2aff s ILE 88 Ca -0.02 0.34 0.02 0.00 0.00 0.00 0.00 60.65 61.00 2aff s ILE 88 Cb -0.14 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.80 2aff s ILE 88 CO 0.04 0.42 -0.22 -0.89 0.00 0.00 0.00 174.94 174.29 2aff s THR 89 N 0.39 2.06 -0.17 2.92 2.01 0.43 -0.31 115.64 122.96 2aff s THR 89 Ca 0.12 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 2aff s THR 89 Cb -0.12 -1.82 -0.00 0.00 0.01 0.00 0.00 72.50 70.57 2aff s THR 89 CO 0.01 0.55 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.72 2aff s ILE 90 N 0.85 2.79 0.00 1.82 1.01 0.57 -2.08 121.20 126.16 2aff s ILE 90 Ca -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2aff s ILE 90 Cb -0.15 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.11 2aff s ILE 90 CO -0.03 0.50 0.00 -0.38 0.00 0.00 0.00 174.94 175.03 2aff n ILE 91 N 4.24 0.00 -0.35 2.92 2.08 -1.26 0.20 119.36 127.19 2aff n ILE 91 Ca -0.19 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.17 2aff n ILE 91 Cb 0.51 0.00 0.12 0.00 -0.75 0.00 0.00 39.64 39.52 2aff n ILE 91 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2aff n ASP 92 N 5.00 2.70 -4.33 4.38 5.75 -1.26 -4.98 116.55 123.81 2aff n ASP 92 Ca 0.00 -2.29 -0.30 0.00 -0.01 0.00 0.00 54.79 52.19 2aff n ASP 92 Cb 0.00 -0.23 -0.15 0.00 -1.03 0.00 0.00 41.12 39.71 2aff n ASP 92 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2aff s ARG 93 N -1.51 1.82 0.05 0.11 3.52 0.53 -4.82 118.95 118.65 2aff s ARG 93 Ca 0.20 -1.07 0.01 0.00 -0.13 0.00 0.00 55.73 54.74 2aff s ARG 93 Cb 0.13 -1.95 -0.03 0.00 -1.56 0.00 0.00 34.95 31.55 2aff s ARG 93 CO 0.08 0.51 -0.06 0.45 -0.81 0.00 0.00 175.30 175.47 2aff s SER 94 N -1.12 0.67 -0.17 -2.12 0.15 -1.26 0.21 113.70 110.05 2aff s SER 94 Ca 0.11 -0.66 0.01 0.00 0.70 0.00 0.00 55.95 56.11 2aff s SER 94 Cb -0.10 0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2aff s SER 94 CO 0.01 -0.32 -0.20 -0.36 1.20 0.00 0.00 173.24 173.57 2aff s PHE 95 N -2.08 2.71 -0.01 3.44 0.40 0.57 -2.07 117.98 120.95 2aff s PHE 95 Ca -0.06 -1.57 -0.26 0.00 -0.60 0.00 0.00 56.93 54.44 2aff s PHE 95 Cb -0.05 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 2aff s PHE 95 CO -0.02 -0.77 0.80 1.03 0.70 0.00 0.00 175.22 176.96 2aff s ARG 96 N 1.24 4.50 -0.21 0.44 0.52 -0.74 -1.82 118.95 122.88 2aff s ARG 96 Ca 0.03 1.10 -0.16 0.00 -0.52 0.00 0.00 55.73 56.18 2aff s ARG 96 Cb -0.13 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 2aff s ARG 96 CO -0.11 0.11 0.41 -0.47 0.02 0.00 0.00 175.30 175.26 2aff s TYR 97 N 0.54 3.35 -0.09 -0.53 5.04 -0.93 -1.68 117.35 123.04 2aff s TYR 97 Ca 0.42 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 2aff s TYR 97 Cb -0.20 -2.55 0.02 0.00 0.35 0.00 0.00 41.96 39.58 2aff s TYR 97 CO 0.23 -0.06 -0.08 -1.21 -1.34 0.00 0.00 175.55 173.08 2aff s GLU 98 N 1.49 1.48 -0.31 4.97 2.02 -0.16 -2.34 118.70 125.85 2aff s GLU 98 Ca 0.19 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 2aff s GLU 98 Cb -0.15 -1.46 0.04 0.00 0.10 0.00 0.00 34.13 32.66 2aff s GLU 98 CO 0.08 -0.18 0.03 1.21 0.02 0.00 0.00 175.26 176.43 2aff s ASN 99 N 1.39 4.99 0.00 -0.19 3.84 -1.26 -0.57 114.94 123.14 2aff s ASN 99 Ca -0.01 -1.14 0.00 0.00 0.21 0.00 0.00 52.86 51.92 2aff s ASN 99 Cb -0.13 -1.77 0.00 0.00 -0.55 0.00 0.00 41.25 38.79 2aff s ASN 99 CO -0.04 -0.26 0.00 -0.62 -2.79 0.00 0.00 177.10 173.38