#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 1.22 -2.97 3.45 -2.24 -1.26 -4.96 114.28 107.51 2aff n THR 4 Ca 0.00 -1.99 -0.40 0.00 -2.27 0.00 0.00 64.05 59.39 2aff n THR 4 Cb 0.00 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.81 4.46 -0.07 -0.78 0.52 -1.26 -2.43 118.95 117.58 2aff s ARG 5 Ca 0.31 1.00 0.04 0.00 -0.52 0.00 0.00 55.73 56.55 2aff s ARG 5 Cb 0.31 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.33 2aff s ARG 5 CO -0.07 0.03 -0.18 0.50 0.02 0.00 0.00 175.30 175.60 2aff s ARG 6 N 0.86 2.27 -0.13 3.54 3.52 0.15 -1.04 118.95 128.12 2aff s ARG 6 Ca 0.41 -0.65 -0.02 0.00 -0.13 0.00 0.00 55.73 55.33 2aff s ARG 6 Cb -0.18 -1.81 -0.03 0.00 -1.56 0.00 0.00 34.95 31.37 2aff s ARG 6 CO 0.20 0.15 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.62 2aff s LEU 7 N 0.37 3.19 -0.16 -0.88 2.96 -0.88 -0.71 118.68 122.56 2aff s LEU 7 Ca -0.13 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 2aff s LEU 7 Cb -0.16 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 2aff s LEU 7 CO 0.05 0.22 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.57 2aff s VAL 8 N 0.07 3.76 -0.35 1.68 1.01 -0.33 -0.16 120.40 126.08 2aff s VAL 8 Ca -0.01 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2aff s VAL 8 Cb -0.14 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2aff s VAL 8 CO 0.03 0.48 0.67 -0.89 0.00 0.00 0.00 175.10 175.39 2aff s THR 9 N 0.53 4.86 0.24 3.92 2.01 -0.81 -1.64 115.64 124.77 2aff s THR 9 Ca -0.03 0.70 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 2aff s THR 9 Cb -0.14 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.18 2aff s THR 9 CO 0.03 -0.31 0.94 -0.63 -0.69 0.00 0.00 174.62 173.96 2aff s ILE 10 N 2.78 4.06 0.44 1.82 1.01 -0.97 -1.14 121.20 129.20 2aff s ILE 10 Ca 0.26 2.07 -0.03 0.00 0.00 0.00 0.00 60.65 62.95 2aff s ILE 10 Cb -0.14 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 2aff s ILE 10 CO 0.15 0.49 0.70 -0.54 0.00 0.00 0.00 174.94 175.74 2aff s LYS 11 N -1.21 3.47 0.47 2.79 1.02 -0.40 -4.61 119.74 121.27 2aff s LYS 11 Ca 0.41 -0.02 0.16 0.00 0.02 0.00 0.00 55.97 56.54 2aff s LYS 11 Cb -0.26 -2.48 1.15 0.00 -0.52 0.00 0.00 37.83 35.72 2aff s LYS 11 CO 0.32 -0.11 2.04 0.00 -0.92 0.00 0.00 175.35 176.68 2aff h ARG 12 N 0.39 0.23 0.00 1.68 3.08 -1.89 0.28 114.38 118.15 2aff h ARG 12 Ca -0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.21 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2aff h ARG 12 CO 0.61 0.15 0.00 -1.13 -1.07 0.00 0.00 179.97 178.53 2aff n SER 13 N -4.47 0.26 -0.04 7.04 3.41 -1.26 -4.88 113.62 113.68 2aff n SER 13 Ca 0.05 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2aff n SER 13 Cb 0.30 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.06 1.21 3.36 5.00 0.00 0.97 -5.08 105.19 111.71 2aff n GLY 14 Ca 0.06 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.08 2.76 0.02 1.61 1.01 -1.25 -4.86 120.40 117.61 2aff s VAL 15 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 2aff s VAL 15 Cb 0.00 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.20 2aff s VAL 15 CO 0.00 0.55 1.88 -0.62 0.00 0.00 0.00 175.10 176.91 2aff s ASP 16 N -0.01 6.51 0.00 3.32 -1.08 -1.26 -1.28 116.67 122.87 2aff s ASP 16 Ca -0.05 2.56 0.00 0.00 -0.52 0.00 0.00 52.55 54.54 2aff s ASP 16 Cb -0.14 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2aff s ASP 16 CO 0.04 -1.02 0.00 0.61 0.52 0.00 0.00 175.17 175.33 2aff n GLY 17 N 4.42 1.58 3.80 2.66 0.00 -0.30 -4.93 105.19 112.43 2aff n GLY 17 Ca 0.19 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 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 4.48 3.76 -0.15 1.61 0.04 -1.26 -4.72 135.00 138.76 2aff s PRO 18 Ca 0.00 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 2aff s PRO 18 Cb 0.00 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2aff s PRO 18 CO 0.00 -0.46 -0.03 -3.38 0.04 0.00 0.00 177.00 173.17 2aff s HIS 19 N -2.06 3.05 -0.53 0.56 -3.43 -1.26 -1.92 115.29 109.71 2aff s HIS 19 Ca 0.66 -0.22 -0.15 0.00 -0.80 0.00 0.00 55.06 54.56 2aff s HIS 19 Cb -0.16 -1.95 0.12 0.00 -1.43 0.00 0.00 32.58 29.17 2aff s HIS 19 CO 0.22 0.03 0.47 0.12 -2.00 0.00 0.00 174.74 173.59 2aff s PHE 20 N 0.22 3.27 0.17 0.38 5.36 0.77 -4.92 117.98 123.24 2aff s PHE 20 Ca -0.02 -1.34 -0.30 0.00 -0.96 0.00 0.00 56.93 54.32 2aff s PHE 20 Cb -0.14 -3.72 -0.08 0.00 -0.34 0.00 0.00 43.02 38.75 2aff s PHE 20 CO 0.03 -1.00 1.18 -1.25 -1.46 0.00 0.00 175.22 172.72 2aff s PRO 21 N 1.57 4.50 -0.24 10.12 0.04 -1.26 -2.07 135.00 147.66 2aff s PRO 21 Ca 0.03 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 2aff s PRO 21 Cb -0.29 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 2aff s PRO 21 CO 0.03 -0.08 0.19 -0.51 0.04 0.00 0.00 177.00 176.67 2aff s LEU 22 N -0.15 4.10 0.00 -3.56 1.43 -0.21 -4.83 118.68 115.46 2aff s LEU 22 Ca 0.53 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 2aff s LEU 22 Cb -0.32 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.75 2aff s LEU 22 CO 0.36 0.03 0.00 -1.54 0.23 0.00 0.00 176.35 175.43 2aff n SER 23 N 4.45 0.71 -4.78 2.29 3.41 -1.26 -3.99 113.62 114.43 2aff n SER 23 Ca -0.14 -0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.10 2aff n SER 23 Cb 0.52 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.43 4.29 0.63 1.04 1.43 -1.26 -4.94 118.68 119.43 2aff s LEU 24 Ca 0.00 1.87 0.39 0.00 -1.03 0.00 0.00 54.13 55.36 2aff s LEU 24 Cb 0.00 -4.07 2.11 0.00 0.03 0.00 0.00 46.19 44.26 2aff s LEU 24 CO 0.00 -0.15 2.28 0.77 0.23 0.00 0.00 176.35 179.48 2aff h SER 25 N 2.99 0.00 -3.70 2.29 4.64 -1.96 -3.42 113.55 114.40 2aff h SER 25 Ca -0.47 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.48 2aff h SER 25 Cb 1.19 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.97 2aff h SER 25 CO 0.64 0.01 -0.76 -0.89 -0.87 0.00 0.00 176.83 174.96 2aff s THR 26 N -4.17 0.48 -0.18 2.95 2.01 -1.26 -0.73 115.64 114.74 2aff s THR 26 Ca -0.04 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.79 2aff s THR 26 Cb 0.13 -0.46 0.04 0.00 0.01 0.00 0.00 72.50 72.21 2aff s THR 26 CO 0.47 0.18 -0.11 0.00 -0.69 0.00 0.00 174.62 174.46 2aff s LEU 28 N 1.44 2.44 -0.06 0.00 2.96 -1.26 0.32 118.68 124.52 2aff s LEU 28 Ca 0.01 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2aff s LEU 28 Cb -0.15 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2aff s LEU 28 CO -0.09 0.21 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.73 2aff s PHE 29 N 0.05 2.93 -5.00 5.38 0.40 0.19 0.41 117.98 122.34 2aff s PHE 29 Ca -0.07 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2aff s PHE 29 Cb -0.15 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.68 2aff s PHE 29 CO 0.05 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.72 2aff n GLY 30 N 2.12 -1.38 0.11 4.36 0.00 -0.89 -2.53 105.19 106.98 2aff n GLY 30 Ca -0.18 -1.48 -0.05 0.00 0.00 0.00 0.00 46.02 44.32 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 1.98 0.05 -6.57 1.61 3.08 -1.42 -3.15 114.38 109.96 2aff h ARG 31 Ca 0.00 -0.05 -0.59 0.00 0.07 0.00 0.00 59.98 59.41 2aff h ARG 31 Cb 0.00 0.01 0.14 0.00 0.08 0.00 0.00 29.97 30.20 2aff h ARG 31 CO 0.00 0.81 -0.02 0.41 -1.07 0.00 0.00 179.97 180.11 2aff n GLY 32 N 0.72 -0.62 0.26 0.04 0.00 -1.05 -4.89 105.19 99.65 2aff n GLY 32 Ca -0.01 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 1.18 1.27 -0.09 -0.61 6.09 -1.90 -1.99 117.51 121.46 2aff h ILE 33 Ca -0.44 -1.33 0.03 0.00 -1.37 0.00 0.00 64.86 61.75 2aff h ILE 33 Cb 1.36 1.19 -0.00 0.00 0.47 0.00 0.00 36.82 39.83 2aff h ILE 33 CO 0.54 0.45 0.24 -0.08 -3.07 0.00 0.00 178.15 176.23 2aff h GLU 34 N 0.75 0.00 -6.38 2.19 4.81 -1.96 -3.41 114.58 110.58 2aff h GLU 34 Ca 0.10 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.78 2aff h GLU 34 Cb 0.75 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.16 2aff h GLU 34 CO 0.06 0.00 1.17 0.00 -0.73 0.00 0.00 179.01 179.51 2aff h ASP 36 N 9.78 0.00 -3.27 0.00 3.32 -0.28 -3.37 116.42 122.61 2aff h ASP 36 Ca -0.49 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.07 2aff h ASP 36 Cb 1.24 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.43 2aff h ASP 36 CO 0.94 0.00 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.04 2aff s ILE 37 N -4.60 0.85 -0.16 0.35 1.01 -0.12 -4.95 121.20 113.58 2aff s ILE 37 Ca -0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 2aff s ILE 37 Cb 0.15 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 2aff s ILE 37 CO 0.54 0.33 0.11 -0.13 0.00 0.00 0.00 174.94 175.79 2aff s ARG 38 N 1.50 3.81 -0.13 2.79 0.52 -1.26 -2.10 118.95 124.07 2aff s ARG 38 Ca -0.00 -0.22 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2aff s ARG 38 Cb -0.13 -3.26 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 2aff s ARG 38 CO -0.05 0.49 -0.17 0.42 0.02 0.00 0.00 175.30 176.02 2aff s ILE 39 N -0.22 2.65 -0.18 1.52 1.01 -1.19 -4.97 121.20 119.82 2aff s ILE 39 Ca 0.10 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.96 2aff s ILE 39 Cb -0.12 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.26 2aff s ILE 39 CO 0.01 0.53 0.67 0.00 0.00 0.00 0.00 174.94 176.14 2aff n GLN 40 N 3.77 0.73 -3.64 2.79 6.02 -1.26 -4.61 117.38 121.18 2aff n GLN 40 Ca -0.19 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.45 2aff n GLN 40 Cb 0.52 -1.18 -0.08 0.00 1.02 0.00 0.00 30.24 30.53 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 4.21 0.00 1.08 1.43 -1.26 -4.96 118.68 119.18 2aff s LEU 41 Ca 0.00 0.34 0.20 0.00 -1.03 0.00 0.00 54.13 53.64 2aff s LEU 41 Cb 0.00 -2.22 0.96 0.00 0.03 0.00 0.00 46.19 44.96 2aff s LEU 41 CO 0.00 0.13 1.64 -0.81 0.23 0.00 0.00 176.35 177.54 2aff n PRO 42 N 3.63 0.17 -0.23 1.29 -0.04 -1.26 -2.41 135.00 136.14 2aff n PRO 42 Ca -0.14 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2aff n PRO 42 Cb 0.52 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.38 0.68 -3.56 0.52 0.24 -1.26 -4.93 118.33 108.65 2aff n VAL 43 Ca 0.08 -0.84 -0.37 0.00 -2.04 0.00 0.00 64.34 61.16 2aff n VAL 43 Cb 0.19 0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.26 5.20 0.96 3.34 1.01 -1.01 -4.94 120.40 123.70 2aff s VAL 44 Ca 0.39 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.91 2aff s VAL 44 Cb 0.22 -3.65 0.17 0.00 0.00 0.00 0.00 36.38 33.12 2aff s VAL 44 CO 0.29 0.51 1.09 -0.44 0.00 0.00 0.00 175.10 176.56 2aff s SER 45 N -0.50 2.93 0.24 3.32 0.01 -1.26 -4.55 113.70 113.89 2aff s SER 45 Ca 0.20 1.34 -0.05 0.00 1.31 0.00 0.00 55.95 58.75 2aff s SER 45 Cb -0.15 -2.01 0.27 0.00 0.21 0.00 0.00 66.02 64.35 2aff s SER 45 CO 0.09 -2.96 1.80 0.11 0.41 0.00 0.00 173.24 172.69 2aff h LYS 46 N -1.77 1.03 0.00 12.44 1.57 -1.94 -2.44 116.57 125.46 2aff h LYS 46 Ca -0.52 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 2aff h LYS 46 Cb 1.31 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2aff h LYS 46 CO 0.56 0.87 -1.12 1.04 -0.57 0.00 0.00 179.45 180.23 2aff n GLN 47 N -4.27 1.13 0.00 3.15 1.13 -1.26 -2.54 117.38 114.72 2aff n GLN 47 Ca 0.06 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2aff n GLN 47 Cb 0.21 -1.09 0.00 0.00 0.11 0.00 0.00 30.24 29.46 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2aff n HIS 48 N -1.62 0.00 -4.45 1.08 -0.00 -1.17 -4.01 115.22 105.05 2aff n HIS 48 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.49 2aff n HIS 48 Cb 0.17 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.00 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 0.36 1.72 -0.13 0.00 2.20 -0.68 0.54 119.74 123.75 2aff s LYS 50 Ca -0.07 -0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 55.11 2aff s LYS 50 Cb -0.11 -1.47 -0.03 0.00 -1.51 0.00 0.00 37.83 34.71 2aff s LYS 50 CO 0.01 -0.02 -0.05 0.42 -0.36 0.00 0.00 175.35 175.36 2aff s ILE 51 N 0.82 3.83 -0.17 5.43 1.01 0.15 0.62 121.20 132.89 2aff s ILE 51 Ca -0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 2aff s ILE 51 Cb -0.15 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 2aff s ILE 51 CO 0.02 0.52 -0.11 -0.70 0.00 0.00 0.00 174.94 174.67 2aff s GLU 52 N 0.07 3.29 -0.28 2.79 2.56 0.24 -1.83 118.70 125.55 2aff s GLU 52 Ca -0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 54.97 54.20 2aff s GLU 52 Cb -0.14 -2.75 -0.00 0.00 2.00 0.00 0.00 34.13 33.24 2aff s GLU 52 CO 0.03 -0.03 0.08 0.42 -0.56 0.00 0.00 175.26 175.20 2aff s ILE 53 N 0.96 4.10 -0.07 -3.70 1.01 0.09 -1.32 121.20 122.28 2aff s ILE 53 Ca -0.02 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.14 2aff s ILE 53 Cb -0.15 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 2aff s ILE 53 CO -0.01 0.17 -0.09 -1.00 0.00 0.00 0.00 174.94 174.00 2aff s HIS 54 N 1.54 2.87 0.56 3.97 3.76 -0.10 -4.89 115.29 123.00 2aff s HIS 54 Ca 0.04 -0.06 0.49 0.00 -0.15 0.00 0.00 55.06 55.38 2aff s HIS 54 Cb -0.16 -1.70 1.72 0.00 1.11 0.00 0.00 32.58 33.54 2aff s HIS 54 CO 0.03 0.26 1.60 1.49 -0.85 0.00 0.00 174.74 177.28 2aff h GLU 55 N 5.38 0.00 0.18 1.40 4.81 -2.01 0.42 114.58 124.77 2aff h GLU 55 Ca -0.47 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2aff h GLU 55 Cb 1.17 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2aff h GLU 55 CO 0.52 0.00 -0.09 1.96 -0.73 0.00 0.00 179.01 180.67 2aff h GLN 56 N 0.00 -0.24 0.00 1.92 4.20 -2.02 -3.48 115.11 115.49 2aff h GLN 56 Ca 0.89 0.02 -0.05 0.00 0.06 0.00 0.00 58.65 59.57 2aff h GLN 56 Cb 3.58 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 31.41 2aff h GLN 56 CO -0.01 -0.16 0.05 -0.85 -0.67 0.00 0.00 178.83 177.19 2aff n GLU 57 N -2.69 0.41 -4.10 1.46 0.28 0.15 -5.15 120.64 110.99 2aff n GLU 57 Ca -0.03 -1.00 -0.35 0.00 -0.16 0.00 0.00 57.16 55.62 2aff n GLU 57 Cb 0.10 1.14 -0.12 0.00 1.43 0.00 0.00 31.44 33.98 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2aff s ALA 58 N -1.65 3.04 -0.10 -1.84 0.00 -1.26 -0.93 121.76 119.02 2aff s ALA 58 Ca 0.08 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.12 2aff s ALA 58 Cb -0.01 -1.76 -0.00 0.00 0.00 0.00 0.00 23.12 21.34 2aff s ALA 58 CO 0.06 -0.11 -0.23 0.42 0.00 0.00 0.00 175.76 175.91 2aff s ILE 59 N 0.92 2.19 -0.20 0.00 1.01 -0.43 0.12 121.20 124.81 2aff s ILE 59 Ca 0.01 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 2aff s ILE 59 Cb -0.14 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 2aff s ILE 59 CO 0.02 0.56 0.23 -0.22 0.00 0.00 0.00 174.94 175.53 2aff s LEU 60 N 0.27 4.19 -0.12 2.97 2.96 0.24 -0.59 118.68 128.59 2aff s LEU 60 Ca -0.16 0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2aff s LEU 60 Cb -0.17 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 2aff s LEU 60 CO 0.08 0.08 -0.04 -1.00 -1.32 0.00 0.00 176.35 174.15 2aff s HIS 61 N 0.74 3.03 -0.50 5.38 3.76 0.20 -1.92 115.29 125.98 2aff s HIS 61 Ca 0.12 -0.11 -0.19 0.00 -0.15 0.00 0.00 55.06 54.74 2aff s HIS 61 Cb -0.13 -1.85 0.06 0.00 1.11 0.00 0.00 32.58 31.77 2aff s HIS 61 CO 0.03 0.17 0.61 1.21 -0.85 0.00 0.00 174.74 175.92 2aff s ASN 62 N -0.22 6.22 0.00 1.40 3.84 -1.26 -1.69 114.94 123.23 2aff s ASN 62 Ca 0.04 -0.93 0.22 0.00 0.21 0.00 0.00 52.86 52.40 2aff s ASN 62 Cb -0.13 -2.28 -0.06 0.00 -0.55 0.00 0.00 41.25 38.23 2aff s ASN 62 CO 0.02 -0.88 1.03 0.49 -2.79 0.00 0.00 177.10 174.97 2aff n PHE 63 N 6.12 0.00 -2.14 0.43 3.01 0.23 -4.85 117.46 120.26 2aff n PHE 63 Ca -0.07 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.00 2aff n PHE 63 Cb 0.45 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 2aff n PHE 63 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2aff s SER 64 N -2.83 5.55 0.15 4.37 0.01 -0.04 -4.55 113.70 116.37 2aff s SER 64 Ca 0.12 0.37 0.18 0.00 1.31 0.00 0.00 55.95 57.93 2aff s SER 64 Cb 0.17 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 2aff s SER 64 CO 0.75 -2.15 1.02 0.77 0.41 0.00 0.00 173.24 174.04 2aff h SER 65 N 13.67 0.00 0.12 2.44 4.64 -1.90 -3.14 113.55 129.38 2aff h SER 65 Ca -0.27 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.80 2aff h SER 65 Cb 1.14 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.26 2aff h SER 65 CO 1.20 0.41 -1.03 0.74 -0.87 0.00 0.00 176.83 177.28 2aff h THR 66 N 0.00 1.37 -2.50 2.95 2.02 -1.99 -3.43 112.91 111.34 2aff h THR 66 Ca -0.09 -2.43 -0.45 0.00 0.77 0.00 0.00 66.41 64.21 2aff h THR 66 Cb 1.40 2.86 -0.37 0.00 -1.74 0.00 0.00 68.15 70.29 2aff h THR 66 CO 0.04 0.72 -0.72 0.20 0.37 0.00 0.00 175.52 176.12 2aff s ASN 67 N -7.19 2.70 0.56 4.18 0.01 -1.25 -5.15 114.94 108.80 2aff s ASN 67 Ca -0.11 -1.12 -0.20 0.00 -0.71 0.00 0.00 52.86 50.72 2aff s ASN 67 Cb 0.04 0.02 -0.06 0.00 0.41 0.00 0.00 41.25 41.66 2aff s ASN 67 CO 0.89 -0.41 0.99 -2.65 -1.51 0.00 0.00 177.10 174.40 2aff n PRO 68 N 5.20 1.04 -2.52 -0.60 -0.02 -1.19 -4.64 135.00 132.27 2aff n PRO 68 Ca -0.03 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.45 2aff n PRO 68 Cb 0.44 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.46 3.61 -0.08 3.45 2.01 -1.26 -4.90 115.64 117.00 2aff s THR 69 Ca 0.72 1.48 -0.01 0.00 0.31 0.00 0.00 61.69 64.19 2aff s THR 69 Cb -0.44 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 2aff s THR 69 CO 0.50 0.25 -0.02 -1.10 -0.69 0.00 0.00 174.62 173.55 2aff s GLN 70 N -1.79 2.90 -0.03 4.92 -0.21 -0.60 -1.80 119.66 123.05 2aff s GLN 70 Ca 0.49 -0.46 0.03 0.00 0.02 0.00 0.00 55.36 55.43 2aff s GLN 70 Cb -0.28 -2.72 0.00 0.00 1.00 0.00 0.00 33.01 31.01 2aff s GLN 70 CO 0.36 0.69 -0.10 0.08 -2.12 0.00 0.00 175.29 174.20 2aff s VAL 71 N -0.85 0.83 -1.15 1.09 1.01 0.55 0.22 120.40 122.10 2aff s VAL 71 Ca 0.13 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2aff s VAL 71 Cb -0.11 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.54 2aff s VAL 71 CO 0.02 0.26 0.16 0.59 0.00 0.00 0.00 175.10 176.13 2aff n ASN 72 N 3.33 -4.03 -0.45 3.32 3.02 -0.78 0.85 115.26 120.51 2aff n ASN 72 Ca -0.19 0.02 -0.05 0.00 -0.03 0.00 0.00 54.58 54.33 2aff n ASN 72 Cb 0.54 -3.39 -0.01 0.00 -0.61 0.00 0.00 39.78 36.31 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 -0.95 0.46 3.00 7.41 0.00 -1.26 -5.04 105.19 108.81 2aff n GLY 73 Ca -0.11 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.87 -0.05 0.36 1.61 0.01 0.25 -5.09 113.70 107.92 2aff s SER 74 Ca 0.00 0.08 -0.27 0.00 1.31 0.00 0.00 55.95 57.07 2aff s SER 74 Cb 0.00 0.20 -0.09 0.00 0.21 0.00 0.00 66.02 66.34 2aff s SER 74 CO 0.00 -0.11 1.20 -0.69 0.41 0.00 0.00 173.24 174.05 2aff s VAL 75 N -0.32 3.05 -0.88 3.43 1.01 -1.26 0.21 120.40 125.64 2aff s VAL 75 Ca -0.04 0.97 -0.00 0.00 0.00 0.00 0.00 61.98 62.90 2aff s VAL 75 Cb -0.03 -3.58 0.24 0.00 0.00 0.00 0.00 36.38 33.01 2aff s VAL 75 CO 0.00 0.16 0.87 2.30 0.00 0.00 0.00 175.10 178.43 2aff n ILE 76 N 0.49 3.20 -0.09 2.22 -5.35 -0.75 -4.87 119.36 114.21 2aff n ILE 76 Ca 0.02 -5.24 0.25 0.00 -0.27 0.00 0.00 62.75 57.51 2aff n ILE 76 Cb 0.45 -2.29 0.71 0.00 -1.74 0.00 0.00 39.64 36.77 2aff n ILE 76 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2aff h ASP 77 N 5.59 0.00 -1.79 7.28 3.58 -1.94 -3.42 116.42 125.72 2aff h ASP 77 Ca 0.17 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 57.02 2aff h ASP 77 Cb 0.76 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.67 2aff h ASP 77 CO 0.92 0.00 -0.59 -1.83 -2.88 0.00 0.00 179.24 174.86 2aff s GLU 78 N -4.95 1.94 0.60 0.28 1.03 -1.26 -4.94 118.70 111.40 2aff s GLU 78 Ca -0.05 -2.12 -0.20 0.00 0.03 0.00 0.00 54.97 52.64 2aff s GLU 78 Cb 0.20 -1.48 -0.03 0.00 -0.80 0.00 0.00 34.13 32.03 2aff s GLU 78 CO 0.73 -0.12 1.32 -2.14 -1.33 0.00 0.00 175.26 173.72 2aff s PRO 79 N -3.76 2.82 0.00 -4.83 0.02 -1.26 -4.76 135.00 123.24 2aff s PRO 79 Ca 0.31 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.47 2aff s PRO 79 Cb 0.09 -2.03 -0.00 0.00 0.02 0.00 0.00 34.50 32.58 2aff s PRO 79 CO 0.16 -1.41 -0.03 0.54 -0.33 0.00 0.00 177.00 175.93 2aff s VAL 80 N -1.36 0.20 0.02 3.83 0.11 -0.81 -4.99 120.40 117.40 2aff s VAL 80 Ca 0.78 -0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 59.35 2aff s VAL 80 Cb -0.39 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 2aff s VAL 80 CO 0.43 0.01 1.18 -0.13 -3.33 0.00 0.00 175.10 173.26 2aff s ARG 81 N -0.18 4.42 0.14 1.54 0.52 -1.26 -0.60 118.95 123.53 2aff s ARG 81 Ca -0.00 1.71 -0.25 0.00 -0.52 0.00 0.00 55.73 56.66 2aff s ARG 81 Cb -0.02 -3.42 -0.07 0.00 0.52 0.00 0.00 34.95 31.95 2aff s ARG 81 CO -0.00 -0.29 0.77 -0.51 0.02 0.00 0.00 175.30 175.28 2aff s LEU 82 N 1.41 4.57 0.11 2.53 1.43 0.32 -4.91 118.68 124.14 2aff s LEU 82 Ca 0.57 1.60 0.04 0.00 -1.03 0.00 0.00 54.13 55.31 2aff s LEU 82 Cb -0.27 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2aff s LEU 82 CO 0.27 0.18 -0.11 -0.54 0.23 0.00 0.00 176.35 176.37 2aff s LYS 83 N -0.94 0.92 -0.15 1.70 -0.14 -1.26 -4.45 119.74 115.42 2aff s LYS 83 Ca 0.36 -1.21 -0.32 0.00 -1.36 0.00 0.00 55.97 53.44 2aff s LYS 83 Cb -0.22 -0.65 -0.09 0.00 -1.68 0.00 0.00 37.83 35.19 2aff s LYS 83 CO 0.25 0.11 2.06 1.58 -0.76 0.00 0.00 175.35 178.60 2aff n HIS 84 N 0.47 2.13 0.00 3.18 -0.00 -1.26 -0.27 115.22 119.47 2aff n HIS 84 Ca -0.15 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 57.95 2aff n HIS 84 Cb 0.58 -2.69 0.00 0.00 -0.12 0.00 0.00 29.99 27.76 2aff n HIS 84 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2aff n GLY 85 N 5.24 1.37 3.71 1.57 0.00 -0.76 -4.97 105.19 111.35 2aff n GLY 85 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 2aff n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aff s ASP 86 N -1.90 6.87 -0.13 1.61 -1.08 0.63 -4.79 116.67 117.88 2aff s ASP 86 Ca 0.00 2.26 -0.02 0.00 -0.52 0.00 0.00 52.55 54.28 2aff s ASP 86 Cb 0.00 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 38.85 2aff s ASP 86 CO 0.00 -0.62 -0.07 -0.69 0.52 0.00 0.00 175.17 174.30 2aff s VAL 87 N 1.15 3.58 -0.18 1.11 1.01 -1.26 -2.01 120.40 123.81 2aff s VAL 87 Ca 0.64 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 2aff s VAL 87 Cb -0.35 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2aff s VAL 87 CO 0.30 0.52 0.23 -0.63 0.00 0.00 0.00 175.10 175.52 2aff s ILE 88 N 0.14 5.34 -0.13 2.22 1.01 -0.57 -1.87 121.20 127.34 2aff s ILE 88 Ca -0.03 0.41 0.03 0.00 0.00 0.00 0.00 60.65 61.05 2aff s ILE 88 Cb -0.14 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.77 2aff s ILE 88 CO 0.04 0.40 -0.22 -0.89 0.00 0.00 0.00 174.94 174.27 2aff s THR 89 N 0.47 2.01 -0.19 2.92 2.01 0.58 -0.12 115.64 123.32 2aff s THR 89 Ca 0.13 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 2aff s THR 89 Cb -0.12 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 2aff s THR 89 CO 0.02 0.54 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.79 2aff s ILE 90 N 0.77 3.34 0.00 1.82 1.01 0.85 -1.56 121.20 127.42 2aff s ILE 90 Ca -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2aff s ILE 90 Cb -0.16 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.83 2aff s ILE 90 CO -0.00 0.46 0.00 -0.38 0.00 0.00 0.00 174.94 175.01 2aff n ILE 91 N 4.35 0.00 -0.57 2.92 5.41 -1.26 0.34 119.36 130.55 2aff n ILE 91 Ca -0.18 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.63 2aff n ILE 91 Cb 0.51 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 39.60 2aff n ILE 91 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2aff n ASP 92 N 1.91 2.93 -4.22 4.38 5.75 -1.26 -4.98 116.55 121.06 2aff n ASP 92 Ca 0.00 -2.53 -0.26 0.00 -0.01 0.00 0.00 54.79 51.99 2aff n ASP 92 Cb 0.00 -0.32 -0.15 0.00 -1.03 0.00 0.00 41.12 39.62 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2aff s ARG 93 N -1.93 1.48 0.03 0.11 0.52 1.03 -4.86 118.95 115.33 2aff s ARG 93 Ca 0.26 -0.82 -0.02 0.00 -0.52 0.00 0.00 55.73 54.64 2aff s ARG 93 Cb 0.20 -1.51 -0.02 0.00 0.52 0.00 0.00 34.95 34.13 2aff s ARG 93 CO 0.08 0.40 0.00 -1.54 0.02 0.00 0.00 175.30 174.26 2aff s SER 94 N -0.82 0.30 -0.11 0.23 1.04 -1.26 0.29 113.70 113.37 2aff s SER 94 Ca 0.07 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.86 2aff s SER 94 Cb -0.08 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.22 2aff s SER 94 CO 0.00 -0.45 -0.16 -0.36 0.98 0.00 0.00 173.24 173.25 2aff s PHE 95 N -2.54 2.09 -0.04 5.02 0.40 0.83 -2.29 117.98 121.45 2aff s PHE 95 Ca -0.06 -1.00 -0.21 0.00 -0.60 0.00 0.00 56.93 55.06 2aff s PHE 95 Cb -0.02 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 2aff s PHE 95 CO -0.05 -0.50 0.62 1.03 0.70 0.00 0.00 175.22 177.02 2aff s ARG 96 N 0.95 4.37 -0.18 0.44 0.52 -0.65 -1.52 118.95 122.88 2aff s ARG 96 Ca -0.07 0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 55.74 2aff s ARG 96 Cb -0.15 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 2aff s ARG 96 CO -0.01 0.23 0.35 -0.47 0.02 0.00 0.00 175.30 175.41 2aff s TYR 97 N 0.29 3.42 -0.14 -0.53 5.04 -0.85 -1.19 117.35 123.40 2aff s TYR 97 Ca 0.33 0.61 -0.01 0.00 -2.44 0.00 0.00 57.07 55.56 2aff s TYR 97 Cb -0.18 -2.43 0.04 0.00 0.35 0.00 0.00 41.96 39.74 2aff s TYR 97 CO 0.16 0.12 -0.03 -1.21 -1.34 0.00 0.00 175.55 173.25 2aff s GLU 98 N 0.85 1.18 -0.33 4.97 2.02 0.11 -1.83 118.70 125.67 2aff s GLU 98 Ca 0.18 -0.32 -0.06 0.00 0.02 0.00 0.00 54.97 54.78 2aff s GLU 98 Cb -0.14 -1.73 0.03 0.00 0.10 0.00 0.00 34.13 32.40 2aff s GLU 98 CO 0.06 -0.40 0.09 1.21 0.02 0.00 0.00 175.26 176.24 2aff s ASN 99 N 1.75 5.24 0.00 -0.19 3.84 -1.26 0.33 114.94 124.65 2aff s ASN 99 Ca 0.02 -1.06 0.25 0.00 0.21 0.00 0.00 52.86 52.28 2aff s ASN 99 Cb -0.14 -1.86 0.38 0.00 -0.55 0.00 0.00 41.25 39.08 2aff s ASN 99 CO -0.07 -0.29 1.37 1.21 -2.79 0.00 0.00 177.10 176.52