#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 0.59 -3.41 3.45 -2.24 -1.26 -4.90 114.28 106.50 2aff n THR 4 Ca 0.00 0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.43 2aff n THR 4 Cb 0.00 -1.63 -0.07 0.00 -2.10 0.00 0.00 70.33 66.53 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 -2.14 4.25 0.02 -0.78 0.52 -1.26 0.01 118.95 119.57 2aff s ARG 5 Ca -0.08 0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.40 2aff s ARG 5 Cb 0.03 -3.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 2aff s ARG 5 CO 0.11 0.11 -0.10 1.03 0.02 0.00 0.00 175.30 176.46 2aff s ARG 6 N 0.83 0.73 0.04 3.54 0.52 0.00 -1.25 118.95 123.37 2aff s ARG 6 Ca 0.20 -0.57 0.07 0.00 -0.52 0.00 0.00 55.73 54.91 2aff s ARG 6 Cb -0.14 -0.68 -0.03 0.00 0.52 0.00 0.00 34.95 34.62 2aff s ARG 6 CO 0.07 0.17 -0.16 -0.51 0.02 0.00 0.00 175.30 174.89 2aff s LEU 7 N -0.85 2.70 -0.11 2.53 1.43 -0.90 -1.31 118.68 122.17 2aff s LEU 7 Ca -0.00 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2aff s LEU 7 Cb -0.06 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 2aff s LEU 7 CO 0.00 0.25 -0.21 -0.69 0.23 0.00 0.00 176.35 175.93 2aff s VAL 8 N -0.96 2.31 -0.31 -1.59 1.01 -0.93 -0.34 120.40 119.59 2aff s VAL 8 Ca 0.15 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 2aff s VAL 8 Cb -0.11 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 2aff s VAL 8 CO 0.06 0.55 0.62 -0.89 0.00 0.00 0.00 175.10 175.44 2aff s THR 9 N 0.32 4.94 0.16 3.92 2.01 -0.96 -2.19 115.64 123.84 2aff s THR 9 Ca -0.16 0.80 -0.20 0.00 0.31 0.00 0.00 61.69 62.43 2aff s THR 9 Cb -0.17 -4.00 -0.08 0.00 0.01 0.00 0.00 72.50 68.26 2aff s THR 9 CO 0.08 -0.16 0.67 -0.63 -0.69 0.00 0.00 174.62 173.89 2aff s ILE 10 N 2.60 4.61 0.51 1.82 1.01 -0.94 -2.46 121.20 128.35 2aff s ILE 10 Ca 0.25 1.30 0.03 0.00 0.00 0.00 0.00 60.65 62.22 2aff s ILE 10 Cb -0.15 -3.91 0.03 0.00 0.01 0.00 0.00 42.46 38.43 2aff s ILE 10 CO 0.12 0.38 0.71 -0.54 0.00 0.00 0.00 174.94 175.61 2aff s LYS 11 N -1.56 2.64 0.53 2.79 1.02 -0.32 -4.49 119.74 120.35 2aff s LYS 11 Ca 0.37 -0.90 0.22 0.00 0.02 0.00 0.00 55.97 55.68 2aff s LYS 11 Cb -0.19 -2.57 1.37 0.00 -0.52 0.00 0.00 37.83 35.93 2aff s LYS 11 CO 0.21 -0.57 2.07 0.00 -0.92 0.00 0.00 175.35 176.14 2aff h ARG 12 N 0.24 0.00 -0.00 1.68 3.08 -1.90 0.49 114.38 117.97 2aff h ARG 12 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2aff h ARG 12 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2aff h ARG 12 CO 0.50 0.00 -0.04 0.45 -1.07 0.00 0.00 179.97 179.81 2aff n SER 13 N -4.39 0.09 -0.40 7.04 2.88 -1.26 -4.89 113.62 112.68 2aff n SER 13 Ca 0.04 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2aff n SER 13 Cb 0.38 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aff n GLY 14 N 1.37 0.96 3.35 0.46 0.00 0.17 -5.07 105.19 106.43 2aff n GLY 14 Ca 0.11 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.78 2.63 -0.10 1.61 1.01 -1.25 -4.81 120.40 116.70 2aff s VAL 15 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 2aff s VAL 15 Cb 0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 2aff s VAL 15 CO 0.00 0.56 1.11 -0.62 0.00 0.00 0.00 175.10 176.15 2aff s ASP 16 N -0.07 7.12 0.00 3.32 -1.08 -1.26 -1.18 116.67 123.52 2aff s ASP 16 Ca -0.04 1.65 0.00 0.00 -0.52 0.00 0.00 52.55 53.64 2aff s ASP 16 Cb -0.14 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 2aff s ASP 16 CO 0.04 -0.55 0.00 0.61 0.52 0.00 0.00 175.17 175.79 2aff n GLY 17 N 3.28 2.08 3.77 2.66 0.00 -1.03 -5.01 105.19 110.93 2aff n GLY 17 Ca 0.10 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 2.56 4.18 -0.05 1.61 0.04 -1.26 -4.80 135.00 137.28 2aff s PRO 18 Ca 0.00 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 2aff s PRO 18 Cb 0.00 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 2aff s PRO 18 CO 0.00 -0.17 0.03 -1.01 0.04 0.00 0.00 177.00 175.89 2aff s HIS 19 N -1.47 3.20 -0.55 0.56 3.76 -1.26 -2.26 115.29 117.28 2aff s HIS 19 Ca 0.55 0.19 -0.01 0.00 -0.15 0.00 0.00 55.06 55.64 2aff s HIS 19 Cb -0.27 -1.76 0.14 0.00 1.11 0.00 0.00 32.58 31.80 2aff s HIS 19 CO 0.35 0.51 0.34 0.12 -0.85 0.00 0.00 174.74 175.20 2aff s PHE 20 N -1.02 3.43 0.22 1.40 5.36 0.54 -4.97 117.98 122.95 2aff s PHE 20 Ca 0.17 -2.74 -0.30 0.00 -0.96 0.00 0.00 56.93 53.10 2aff s PHE 20 Cb -0.12 -3.13 -0.09 0.00 -0.34 0.00 0.00 43.02 39.34 2aff s PHE 20 CO 0.07 -0.86 1.32 -1.25 -1.46 0.00 0.00 175.22 173.04 2aff s PRO 21 N 0.21 4.38 -1.25 10.12 0.04 -1.26 -2.13 135.00 145.12 2aff s PRO 21 Ca 0.15 2.09 -0.16 0.00 0.04 0.00 0.00 61.00 63.11 2aff s PRO 21 Cb -0.22 -3.17 0.12 0.00 0.04 0.00 0.00 34.50 31.27 2aff s PRO 21 CO -0.03 -0.25 1.58 -0.51 0.04 0.00 0.00 177.00 177.83 2aff s LEU 22 N -0.34 4.44 0.03 -3.56 1.43 -0.38 -4.64 118.68 115.66 2aff s LEU 22 Ca 0.56 -2.70 0.28 0.00 -1.03 0.00 0.00 54.13 51.23 2aff s LEU 22 Cb -0.37 -2.49 1.00 0.00 0.03 0.00 0.00 46.19 44.36 2aff s LEU 22 CO 0.40 -0.96 1.78 -1.54 0.23 0.00 0.00 176.35 176.26 2aff n SER 23 N 7.03 0.23 -4.79 2.29 3.41 -1.26 -4.67 113.62 115.86 2aff n SER 23 Ca 0.42 0.35 -0.33 0.00 -0.26 0.00 0.00 58.87 59.05 2aff n SER 23 Cb 0.44 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 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 -3.26 3.95 0.28 1.04 1.43 -1.26 -5.00 118.68 115.87 2aff s LEU 24 Ca 0.13 0.19 0.23 0.00 -1.03 0.00 0.00 54.13 53.65 2aff s LEU 24 Cb 0.18 -2.25 1.04 0.00 0.03 0.00 0.00 46.19 45.19 2aff s LEU 24 CO 0.58 0.29 1.71 -0.24 0.23 0.00 0.00 176.35 178.92 2aff n SER 25 N 1.30 0.66 -4.00 2.29 2.88 -1.26 -4.63 113.62 110.86 2aff n SER 25 Ca -0.14 0.70 -0.22 0.00 -1.33 0.00 0.00 58.87 57.88 2aff n SER 25 Cb 0.53 -0.82 -0.16 0.00 -0.75 0.00 0.00 64.21 63.01 2aff n SER 25 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2aff s THR 26 N -3.39 0.86 -0.18 2.46 2.01 -1.26 -0.78 115.64 115.37 2aff s THR 26 Ca 0.02 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.65 2aff s THR 26 Cb 0.09 -0.79 0.04 0.00 0.01 0.00 0.00 72.50 71.85 2aff s THR 26 CO 0.35 0.28 -0.10 0.00 -0.69 0.00 0.00 174.62 174.45 2aff s LEU 28 N 1.46 2.60 -0.10 0.00 2.96 -1.26 -0.40 118.68 123.94 2aff s LEU 28 Ca 0.01 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2aff s LEU 28 Cb -0.15 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2aff s LEU 28 CO -0.09 0.19 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.72 2aff s PHE 29 N 0.21 3.01 -5.00 5.38 0.40 0.12 -0.38 117.98 121.72 2aff s PHE 29 Ca -0.10 -0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 2aff s PHE 29 Cb -0.16 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.57 2aff s PHE 29 CO 0.06 0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.63 2aff n GLY 30 N 2.60 -1.49 0.10 4.36 0.00 -0.85 -2.37 105.19 107.54 2aff n GLY 30 Ca -0.18 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 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 1.90 0.07 -6.63 1.61 3.08 -1.44 -2.73 114.38 110.23 2aff h ARG 31 Ca 0.00 -0.09 -0.57 0.00 0.07 0.00 0.00 59.98 59.38 2aff h ARG 31 Cb 0.00 0.03 0.17 0.00 0.08 0.00 0.00 29.97 30.25 2aff h ARG 31 CO 0.00 0.93 -0.23 0.41 -1.07 0.00 0.00 179.97 180.01 2aff n GLY 32 N 1.02 -1.13 0.26 0.04 0.00 -0.95 -4.83 105.19 99.60 2aff n GLY 32 Ca -0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 0.20 1.26 -0.18 -0.61 6.09 -1.90 -2.36 117.51 120.02 2aff h ILE 33 Ca -0.46 -1.12 0.05 0.00 -1.37 0.00 0.00 64.86 61.96 2aff h ILE 33 Cb 1.38 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 39.64 2aff h ILE 33 CO 0.47 0.39 0.25 -0.33 -3.07 0.00 0.00 178.15 175.87 2aff h GLU 34 N 0.77 0.00 -6.19 2.19 4.39 -1.95 -3.41 114.58 110.37 2aff h GLU 34 Ca 0.14 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.19 2aff h GLU 34 Cb 0.55 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2aff h GLU 34 CO 0.03 0.00 1.13 0.00 -1.16 0.00 0.00 179.01 179.01 2aff h ASP 36 N 9.60 0.00 -3.19 0.00 3.32 -0.96 -3.35 116.42 121.84 2aff h ASP 36 Ca -0.45 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.04 2aff h ASP 36 Cb 1.29 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.47 2aff h ASP 36 CO 0.96 0.00 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.04 2aff s ILE 37 N -4.88 1.25 -0.15 0.35 1.01 0.45 -4.93 121.20 114.31 2aff s ILE 37 Ca -0.05 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 2aff s ILE 37 Cb 0.16 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2aff s ILE 37 CO 0.62 0.36 0.09 -0.13 0.00 0.00 0.00 174.94 175.88 2aff s ARG 38 N 1.61 3.69 -0.09 2.79 0.52 -1.26 -2.00 118.95 124.22 2aff s ARG 38 Ca 0.04 -0.26 0.04 0.00 -0.52 0.00 0.00 55.73 55.03 2aff s ARG 38 Cb -0.13 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.16 2aff s ARG 38 CO -0.09 0.51 -0.21 0.42 0.02 0.00 0.00 175.30 175.95 2aff s ILE 39 N -0.29 1.85 -0.08 1.52 1.01 -1.03 -4.94 121.20 119.24 2aff s ILE 39 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.85 2aff s ILE 39 Cb -0.12 -1.61 0.08 0.00 0.01 0.00 0.00 42.46 40.83 2aff s ILE 39 CO 0.01 0.51 1.51 0.00 0.00 0.00 0.00 174.94 176.98 2aff n GLN 40 N 3.58 1.21 -3.50 2.79 6.02 -1.26 -4.28 117.38 121.95 2aff n GLN 40 Ca -0.20 -0.46 -0.37 0.00 -0.01 0.00 0.00 57.00 55.96 2aff n GLN 40 Cb 0.53 -1.18 -0.07 0.00 1.02 0.00 0.00 30.24 30.54 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 -0.52 4.22 0.11 1.08 1.43 -1.26 -4.96 118.68 118.79 2aff s LEU 41 Ca 0.09 0.52 0.21 0.00 -1.03 0.00 0.00 54.13 53.91 2aff s LEU 41 Cb 0.07 -2.41 0.84 0.00 0.03 0.00 0.00 46.19 44.72 2aff s LEU 41 CO 0.01 0.06 1.64 -0.81 0.23 0.00 0.00 176.35 177.48 2aff n PRO 42 N 3.77 0.10 -0.20 1.29 -0.04 -1.26 -2.26 135.00 136.39 2aff n PRO 42 Ca -0.11 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 2aff n PRO 42 Cb 0.52 -1.67 0.25 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.84 0.52 -3.74 0.52 0.24 -1.26 -4.89 118.33 107.87 2aff n VAL 43 Ca 0.04 -0.71 -0.36 0.00 -2.04 0.00 0.00 64.34 61.26 2aff n VAL 43 Cb 0.24 0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 33.36 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 -1.48 5.40 1.11 3.34 1.01 -0.96 -4.86 120.40 123.96 2aff s VAL 44 Ca 0.39 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.51 2aff s VAL 44 Cb 0.22 -3.49 0.25 0.00 0.00 0.00 0.00 36.38 33.36 2aff s VAL 44 CO 0.31 0.52 1.11 -0.55 0.00 0.00 0.00 175.10 176.49 2aff s SER 45 N -0.34 1.66 0.19 3.32 0.15 -1.26 -4.64 113.70 112.79 2aff s SER 45 Ca 0.14 0.82 -0.10 0.00 0.70 0.00 0.00 55.95 57.51 2aff s SER 45 Cb -0.12 -1.22 0.10 0.00 -1.71 0.00 0.00 66.02 63.07 2aff s SER 45 CO 0.03 -3.68 1.72 0.11 1.20 0.00 0.00 173.24 172.62 2aff h LYS 46 N -2.28 1.05 0.00 5.44 1.57 -1.95 -2.71 116.57 117.70 2aff h LYS 46 Ca -0.49 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.06 2aff h LYS 46 Cb 1.31 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2aff h LYS 46 CO 0.44 0.91 -1.36 1.04 -0.57 0.00 0.00 179.45 179.92 2aff n GLN 47 N -4.32 0.26 0.00 3.15 6.02 -1.26 -2.24 117.38 118.99 2aff n GLN 47 Ca 0.05 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2aff n GLN 47 Cb 0.22 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 -1.78 0.00 -4.51 1.08 -0.00 -1.17 -3.97 115.22 104.87 2aff n HIS 48 Ca -0.02 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.94 2aff n HIS 48 Cb 0.21 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.92 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 0.37 1.88 -0.08 0.00 2.20 -0.62 0.16 119.74 123.65 2aff s LYS 50 Ca -0.07 -0.49 0.03 0.00 -0.36 0.00 0.00 55.97 55.07 2aff s LYS 50 Cb -0.12 -1.53 -0.02 0.00 -1.51 0.00 0.00 37.83 34.65 2aff s LYS 50 CO 0.02 0.07 -0.17 0.42 -0.36 0.00 0.00 175.35 175.32 2aff s ILE 51 N 0.56 2.74 -0.13 5.43 1.01 0.46 0.11 121.20 131.37 2aff s ILE 51 Ca -0.14 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.73 2aff s ILE 51 Cb -0.16 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.24 2aff s ILE 51 CO 0.04 0.56 -0.22 -0.70 0.00 0.00 0.00 174.94 174.63 2aff s GLU 52 N -0.16 2.95 -0.26 2.79 2.12 0.48 -1.74 118.70 124.88 2aff s GLU 52 Ca -0.02 -0.83 -0.07 0.00 0.36 0.00 0.00 54.97 54.41 2aff s GLU 52 Cb -0.14 -2.37 -0.02 0.00 0.26 0.00 0.00 34.13 31.87 2aff s GLU 52 CO 0.03 0.01 0.07 0.42 -0.54 0.00 0.00 175.26 175.26 2aff s ILE 53 N 0.76 4.24 -0.05 -3.70 1.01 0.04 -0.61 121.20 122.89 2aff s ILE 53 Ca -0.09 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.32 2aff s ILE 53 Cb -0.16 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 2aff s ILE 53 CO -0.00 0.29 -0.11 -1.00 0.00 0.00 0.00 174.94 174.12 2aff s HIS 54 N 1.60 2.81 0.58 3.97 3.76 0.52 -4.88 115.29 123.65 2aff s HIS 54 Ca 0.06 -0.07 0.40 0.00 -0.15 0.00 0.00 55.06 55.30 2aff s HIS 54 Cb -0.15 -1.66 1.41 0.00 1.11 0.00 0.00 32.58 33.28 2aff s HIS 54 CO 0.03 0.26 1.49 0.93 -0.85 0.00 0.00 174.74 176.60 2aff h GLU 55 N 5.24 0.00 0.14 1.40 4.39 -2.01 0.35 114.58 124.09 2aff h GLU 55 Ca -0.48 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 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 0.51 0.00 -0.07 1.96 -1.16 0.00 0.00 179.01 180.25 2aff h GLN 56 N 0.00 -0.18 0.00 2.33 4.20 -2.01 -3.49 115.11 115.95 2aff h GLN 56 Ca 0.73 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.43 2aff h GLN 56 Cb 3.32 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 31.14 2aff h GLN 56 CO -0.01 -0.12 0.01 -1.91 -0.67 0.00 0.00 178.83 176.13 2aff n GLU 57 N -2.67 0.14 -4.42 1.46 4.07 0.12 -5.16 120.64 114.18 2aff n GLU 57 Ca -0.02 -0.39 -0.34 0.00 -0.06 0.00 0.00 57.16 56.35 2aff n GLU 57 Cb 0.07 0.42 -0.13 0.00 -0.06 0.00 0.00 31.44 31.75 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 -1.47 2.92 -0.10 4.31 0.00 -1.26 -0.36 121.76 125.80 2aff s ALA 58 Ca 0.04 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.17 2aff s ALA 58 Cb -0.00 -1.51 -0.00 0.00 0.00 0.00 0.00 23.12 21.60 2aff s ALA 58 CO 0.03 0.16 -0.22 0.42 0.00 0.00 0.00 175.76 176.14 2aff s ILE 59 N 0.47 2.22 -0.18 0.00 1.01 0.22 0.14 121.20 125.08 2aff s ILE 59 Ca -0.05 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 2aff s ILE 59 Cb -0.15 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 2aff s ILE 59 CO 0.03 0.56 0.16 -0.22 0.00 0.00 0.00 174.94 175.47 2aff s LEU 60 N 0.25 4.25 -0.08 2.97 2.96 -0.28 -0.39 118.68 128.36 2aff s LEU 60 Ca -0.15 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 2aff s LEU 60 Cb -0.17 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2aff s LEU 60 CO 0.08 0.21 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.16 2aff s HIS 61 N 0.14 2.72 -0.40 5.38 3.76 0.30 -2.18 115.29 125.00 2aff s HIS 61 Ca 0.11 -0.35 -0.16 0.00 -0.15 0.00 0.00 55.06 54.50 2aff s HIS 61 Cb -0.12 -1.70 0.01 0.00 1.11 0.00 0.00 32.58 31.89 2aff s HIS 61 CO 0.00 0.03 0.38 1.21 -0.85 0.00 0.00 174.74 175.51 2aff s ASN 62 N -0.34 6.16 -0.00 1.40 3.84 -1.26 -1.59 114.94 123.15 2aff s ASN 62 Ca 0.03 -0.65 0.16 0.00 0.21 0.00 0.00 52.86 52.61 2aff s ASN 62 Cb -0.13 -2.20 -0.18 0.00 -0.55 0.00 0.00 41.25 38.20 2aff s ASN 62 CO 0.02 -0.49 0.67 0.49 -2.79 0.00 0.00 177.10 175.00 2aff n PHE 63 N 5.43 0.00 -2.73 0.43 3.01 -0.27 -4.88 117.46 118.45 2aff n PHE 63 Ca -0.09 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.95 2aff n PHE 63 Cb 0.48 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 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 -2.57 6.22 0.13 4.37 0.15 -0.04 -4.63 113.70 117.32 2aff s SER 64 Ca 0.06 -0.61 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 2aff s SER 64 Cb 0.12 -2.48 -0.10 0.00 -1.71 0.00 0.00 66.02 61.85 2aff s SER 64 CO 0.66 -1.55 1.30 0.77 1.20 0.00 0.00 173.24 175.62 2aff h SER 65 N 9.68 0.51 -0.57 5.45 4.64 -1.91 -3.15 113.55 128.20 2aff h SER 65 Ca -0.28 -0.42 -0.03 0.00 -0.47 0.00 0.00 61.79 60.59 2aff h SER 65 Cb 1.06 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 2aff h SER 65 CO 1.20 1.22 0.24 0.71 -0.87 0.00 0.00 176.83 179.33 2aff h THR 66 N 0.21 1.22 -2.14 2.95 1.35 -1.97 -3.40 112.91 111.13 2aff h THR 66 Ca -0.08 -0.67 -0.33 0.00 -0.55 0.00 0.00 66.41 64.78 2aff h THR 66 Cb 1.60 0.59 -0.33 0.00 -1.73 0.00 0.00 68.15 68.28 2aff h THR 66 CO 0.16 0.26 -0.64 0.20 -0.25 0.00 0.00 175.52 175.26 2aff s ASN 67 N -6.04 1.66 0.53 5.36 0.01 -1.24 -5.14 114.94 110.08 2aff s ASN 67 Ca -0.13 -0.77 -0.22 0.00 -0.71 0.00 0.00 52.86 51.03 2aff s ASN 67 Cb 0.12 0.52 -0.06 0.00 0.41 0.00 0.00 41.25 42.24 2aff s ASN 67 CO 0.79 -0.39 1.22 -2.65 -1.51 0.00 0.00 177.10 174.56 2aff n PRO 68 N 5.29 1.48 -2.26 -0.60 -0.02 -1.19 -4.71 135.00 132.98 2aff n PRO 68 Ca -0.02 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 2aff n PRO 68 Cb 0.46 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.33 3.22 0.01 3.45 2.01 -1.26 -4.72 115.64 117.01 2aff s THR 69 Ca 0.71 1.06 -0.08 0.00 0.31 0.00 0.00 61.69 63.70 2aff s THR 69 Cb -0.44 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 2aff s THR 69 CO 0.50 0.19 0.29 -1.10 -0.69 0.00 0.00 174.62 173.81 2aff s GLN 70 N -0.59 3.62 -0.04 4.92 -0.21 0.11 -1.00 119.66 126.46 2aff s GLN 70 Ca 0.53 -0.01 0.03 0.00 0.02 0.00 0.00 55.36 55.93 2aff s GLN 70 Cb -0.36 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.57 2aff s GLN 70 CO 0.41 0.65 -0.12 0.54 -2.12 0.00 0.00 175.29 174.65 2aff s VAL 71 N -1.27 1.06 -0.83 1.09 0.11 0.40 0.21 120.40 121.17 2aff s VAL 71 Ca 0.27 -0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 58.83 2aff s VAL 71 Cb -0.13 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 2aff s VAL 71 CO 0.15 0.32 0.01 0.59 -3.33 0.00 0.00 175.10 172.85 2aff n ASN 72 N 3.41 -3.28 -0.20 3.54 3.02 -0.48 0.72 115.26 122.00 2aff n ASN 72 Ca -0.20 0.25 -0.02 0.00 -0.03 0.00 0.00 54.58 54.58 2aff n ASN 72 Cb 0.53 -2.82 -0.00 0.00 -0.61 0.00 0.00 39.78 36.88 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 -0.75 0.35 2.91 7.41 0.00 -1.26 -5.05 105.19 108.80 2aff n GLY 73 Ca -0.11 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 2aff n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aff s SER 74 N -2.93 0.31 0.38 1.61 0.15 0.22 -5.10 113.70 108.34 2aff s SER 74 Ca 0.00 -0.05 -0.27 0.00 0.70 0.00 0.00 55.95 56.34 2aff s SER 74 Cb 0.00 -0.04 -0.09 0.00 -1.71 0.00 0.00 66.02 64.18 2aff s SER 74 CO 0.00 0.03 1.25 0.68 1.20 0.00 0.00 173.24 176.40 2aff s VAL 75 N -0.02 2.83 -0.48 4.45 -7.23 -1.26 0.15 120.40 118.85 2aff s VAL 75 Ca 0.01 0.76 -0.14 0.00 -1.81 0.00 0.00 61.98 60.80 2aff s VAL 75 Cb -0.02 -3.45 0.09 0.00 0.56 0.00 0.00 36.38 33.56 2aff s VAL 75 CO -0.00 0.12 0.39 -0.63 -0.31 0.00 0.00 175.10 174.67 2aff s ILE 76 N -1.27 4.97 0.15 -0.62 1.01 -0.17 -4.83 121.20 120.44 2aff s ILE 76 Ca 0.54 -1.26 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 76 Cb -0.36 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.07 2aff s ILE 76 CO 0.46 -0.64 1.56 0.44 0.00 0.00 0.00 174.94 176.76 2aff h ASP 77 N 8.70 0.94 -4.39 3.58 3.32 -1.94 -3.42 116.42 123.21 2aff h ASP 77 Ca -0.27 -0.37 -0.53 0.00 0.02 0.00 0.00 57.03 55.88 2aff h ASP 77 Cb 1.10 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.26 2aff h ASP 77 CO 0.89 1.10 -0.49 -1.61 -1.72 0.00 0.00 179.24 177.40 2aff s GLU 78 N -4.77 1.88 0.50 3.56 2.02 -1.26 -4.95 118.70 115.68 2aff s GLU 78 Ca -0.12 -2.13 -0.23 0.00 0.02 0.00 0.00 54.97 52.50 2aff s GLU 78 Cb 0.12 -0.16 -0.07 0.00 0.10 0.00 0.00 34.13 34.12 2aff s GLU 78 CO 0.85 -0.58 1.37 -2.30 0.02 0.00 0.00 175.26 174.62 2aff n PRO 79 N -0.80 1.92 -3.84 0.39 -0.02 -1.26 -4.77 135.00 126.61 2aff n PRO 79 Ca 0.00 0.69 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 2aff n PRO 79 Cb 0.64 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.42 2aff n PRO 79 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2aff s VAL 80 N -1.25 0.01 0.12 -1.45 -7.23 -0.93 -4.99 120.40 104.69 2aff s VAL 80 Ca 0.67 -0.10 -0.31 0.00 -1.81 0.00 0.00 61.98 60.43 2aff s VAL 80 Cb -0.44 -0.19 -0.07 0.00 0.56 0.00 0.00 36.38 36.24 2aff s VAL 80 CO 0.53 -0.05 1.28 -0.13 -0.31 0.00 0.00 175.10 176.42 2aff s ARG 81 N -0.12 4.40 0.24 4.82 0.52 -1.26 -1.13 118.95 126.41 2aff s ARG 81 Ca -0.02 1.92 -0.30 0.00 -0.52 0.00 0.00 55.73 56.82 2aff s ARG 81 Cb -0.02 -3.28 -0.09 0.00 0.52 0.00 0.00 34.95 32.09 2aff s ARG 81 CO 0.00 -0.29 0.93 -0.51 0.02 0.00 0.00 175.30 175.46 2aff s LEU 82 N 0.71 4.65 0.07 2.53 1.43 0.36 -4.91 118.68 123.52 2aff s LEU 82 Ca 0.59 1.94 0.05 0.00 -1.03 0.00 0.00 54.13 55.68 2aff s LEU 82 Cb -0.33 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.26 2aff s LEU 82 CO 0.32 0.16 -0.13 -0.54 0.23 0.00 0.00 176.35 176.39 2aff s LYS 83 N -1.18 0.78 0.00 1.70 1.02 -1.26 -4.43 119.74 116.38 2aff s LYS 83 Ca 0.41 -0.94 -0.34 0.00 0.02 0.00 0.00 55.97 55.13 2aff s LYS 83 Cb -0.26 -0.75 -0.12 0.00 -0.52 0.00 0.00 37.83 36.18 2aff s LYS 83 CO 0.32 0.16 1.81 1.58 -0.92 0.00 0.00 175.35 178.30 2aff n HIS 84 N 1.28 2.36 0.00 3.18 -0.00 -1.26 -0.55 115.22 120.22 2aff n HIS 84 Ca -0.21 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 2aff n HIS 84 Cb 0.54 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.88 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 4.15 1.55 3.71 1.57 0.00 -1.03 -4.99 105.19 110.15 2aff n GLY 85 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.69 6.94 -0.15 1.61 -1.08 0.28 -4.87 116.67 117.71 2aff s ASP 86 Ca 0.00 2.18 -0.03 0.00 -0.52 0.00 0.00 52.55 54.18 2aff s ASP 86 Cb 0.00 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.85 2aff s ASP 86 CO 0.00 -0.58 -0.04 -0.69 0.52 0.00 0.00 175.17 174.38 2aff s VAL 87 N 1.15 3.84 -0.15 1.11 1.01 -1.26 -2.40 120.40 123.69 2aff s VAL 87 Ca 0.62 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 2aff s VAL 87 Cb -0.33 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2aff s VAL 87 CO 0.30 0.50 0.26 -0.63 0.00 0.00 0.00 175.10 175.53 2aff s ILE 88 N 0.29 5.32 -0.08 2.22 1.01 -0.91 -1.38 121.20 127.67 2aff s ILE 88 Ca -0.04 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.11 2aff s ILE 88 Cb -0.14 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2aff s ILE 88 CO 0.03 0.43 -0.12 -0.89 0.00 0.00 0.00 174.94 174.39 2aff s THR 89 N 0.22 1.21 -0.22 2.92 2.01 0.55 -0.63 115.64 121.70 2aff s THR 89 Ca 0.15 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 2aff s THR 89 Cb -0.13 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2aff s THR 89 CO 0.03 0.38 0.04 -0.63 -0.69 0.00 0.00 174.62 173.75 2aff s ILE 90 N 0.87 4.19 0.00 1.82 1.01 0.64 0.08 121.20 129.81 2aff s ILE 90 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2aff s ILE 90 Cb -0.15 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.40 2aff s ILE 90 CO 0.01 0.39 0.00 -0.38 0.00 0.00 0.00 174.94 174.96 2aff n ILE 91 N 4.48 0.00 -1.05 2.92 5.41 -1.26 0.24 119.36 130.10 2aff n ILE 91 Ca -0.17 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.62 2aff n ILE 91 Cb 0.52 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 39.50 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2aff n ASP 92 N 0.82 1.31 -4.24 4.38 2.03 -1.26 -5.04 116.55 114.55 2aff n ASP 92 Ca 0.00 -2.24 -0.28 0.00 0.52 0.00 0.00 54.79 52.79 2aff n ASP 92 Cb 0.00 -0.21 -0.16 0.00 -0.72 0.00 0.00 41.12 40.04 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 -1.28 1.80 0.03 -0.67 0.52 0.67 -4.79 118.95 115.24 2aff s ARG 93 Ca 0.12 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2aff s ARG 93 Cb 0.10 -1.74 -0.02 0.00 0.52 0.00 0.00 34.95 33.81 2aff s ARG 93 CO 0.01 0.47 -0.04 -1.54 0.02 0.00 0.00 175.30 174.22 2aff s SER 94 N -0.51 0.47 -0.15 0.23 1.04 -1.26 0.23 113.70 113.75 2aff s SER 94 Ca 0.08 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.92 2aff s SER 94 Cb -0.09 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.15 2aff s SER 94 CO -0.01 -0.33 -0.18 -0.36 0.98 0.00 0.00 173.24 173.35 2aff s PHE 95 N -1.89 2.46 0.03 5.02 0.40 0.19 -2.21 117.98 122.00 2aff s PHE 95 Ca -0.10 -1.36 -0.26 0.00 -0.60 0.00 0.00 56.93 54.60 2aff s PHE 95 Cb -0.07 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.68 2aff s PHE 95 CO -0.02 -0.69 0.82 1.03 0.70 0.00 0.00 175.22 177.06 2aff s ARG 96 N 1.23 4.53 -0.25 0.44 0.52 -0.93 -2.15 118.95 122.34 2aff s ARG 96 Ca 0.01 1.15 -0.14 0.00 -0.52 0.00 0.00 55.73 56.24 2aff s ARG 96 Cb -0.14 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 2aff s ARG 96 CO -0.09 0.20 0.31 -0.47 0.02 0.00 0.00 175.30 175.27 2aff s TYR 97 N 0.21 3.29 -0.12 -0.53 5.04 -1.01 -2.19 117.35 122.04 2aff s TYR 97 Ca 0.42 0.39 0.02 0.00 -2.44 0.00 0.00 57.07 55.45 2aff s TYR 97 Cb -0.21 -2.47 0.01 0.00 0.35 0.00 0.00 41.96 39.65 2aff s TYR 97 CO 0.24 -0.10 -0.17 -1.21 -1.34 0.00 0.00 175.55 172.97 2aff s GLU 98 N 1.61 2.45 -0.39 4.97 2.02 -0.42 -2.47 118.70 126.47 2aff s GLU 98 Ca 0.13 -0.64 -0.09 0.00 0.02 0.00 0.00 54.97 54.39 2aff s GLU 98 Cb -0.15 -2.07 0.06 0.00 0.10 0.00 0.00 34.13 32.07 2aff s GLU 98 CO 0.08 -0.07 0.21 1.21 0.02 0.00 0.00 175.26 176.71 2aff s ASN 99 N 1.00 5.58 0.00 -0.19 3.84 -1.26 -0.82 114.94 123.10 2aff s ASN 99 Ca -0.05 -1.32 0.12 0.00 0.21 0.00 0.00 52.86 51.83 2aff s ASN 99 Cb -0.15 -1.96 0.73 0.00 -0.55 0.00 0.00 41.25 39.32 2aff s ASN 99 CO -0.03 -0.45 1.16 1.21 -2.79 0.00 0.00 177.10 176.20