#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 0.58 -3.10 0.52 -2.24 -1.26 -4.91 114.28 103.87 2aff n THR 4 Ca 0.00 -0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 2aff n THR 4 Cb 0.00 -1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 66.97 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 -2.20 4.23 -0.02 -0.78 0.52 -1.26 -1.48 118.95 117.96 2aff s ARG 5 Ca -0.14 0.66 0.03 0.00 -0.52 0.00 0.00 55.73 55.76 2aff s ARG 5 Cb 0.05 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 2aff s ARG 5 CO 0.21 -0.24 -0.12 1.03 0.02 0.00 0.00 175.30 176.21 2aff s ARG 6 N 1.90 1.03 -0.11 3.54 0.52 -0.76 -2.06 118.95 123.01 2aff s ARG 6 Ca 0.30 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 2aff s ARG 6 Cb -0.16 -0.98 -0.02 0.00 0.52 0.00 0.00 34.95 34.31 2aff s ARG 6 CO 0.11 0.22 -0.11 -0.51 0.02 0.00 0.00 175.30 175.02 2aff s LEU 7 N -0.13 2.85 -0.17 2.53 1.43 -0.87 -2.45 118.68 121.87 2aff s LEU 7 Ca 0.02 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 2aff s LEU 7 Cb -0.06 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2aff s LEU 7 CO -0.00 0.23 -0.02 -0.69 0.23 0.00 0.00 176.35 176.10 2aff s VAL 8 N -0.04 3.93 -0.36 -1.59 1.01 -0.92 0.86 120.40 123.29 2aff s VAL 8 Ca -0.02 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 2aff s VAL 8 Cb -0.14 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2aff s VAL 8 CO 0.04 0.47 0.58 -0.89 0.00 0.00 0.00 175.10 175.30 2aff s THR 9 N 0.55 4.94 0.29 3.92 2.01 -0.89 -2.05 115.64 124.41 2aff s THR 9 Ca -0.02 0.44 -0.28 0.00 0.31 0.00 0.00 61.69 62.14 2aff s THR 9 Cb -0.14 -4.04 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 2aff s THR 9 CO 0.02 -0.29 0.98 -0.63 -0.69 0.00 0.00 174.62 174.02 2aff s ILE 10 N 2.57 3.96 0.41 1.82 1.01 -1.06 -1.97 121.20 127.94 2aff s ILE 10 Ca 0.22 1.82 -0.09 0.00 0.00 0.00 0.00 60.65 62.59 2aff s ILE 10 Cb -0.15 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.16 2aff s ILE 10 CO 0.14 0.32 0.76 -0.75 0.00 0.00 0.00 174.94 175.41 2aff s LYS 11 N -1.62 3.74 0.47 2.79 2.47 0.69 -4.65 119.74 123.64 2aff s LYS 11 Ca 0.46 0.40 0.16 0.00 -1.56 0.00 0.00 55.97 55.43 2aff s LYS 11 Cb -0.25 -2.41 1.15 0.00 -1.46 0.00 0.00 37.83 34.86 2aff s LYS 11 CO 0.31 -0.04 2.04 0.00 0.16 0.00 0.00 175.35 177.82 2aff h ARG 12 N 1.16 0.23 0.00 4.03 3.08 -1.88 0.34 114.38 121.34 2aff h ARG 12 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2aff h ARG 12 CO 0.64 0.15 0.00 -1.13 -1.07 0.00 0.00 179.97 178.56 2aff n SER 13 N -4.47 0.00 -0.19 7.04 3.41 -1.26 -4.88 113.62 113.27 2aff n SER 13 Ca 0.05 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2aff n SER 13 Cb 0.30 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.16 1.03 3.21 5.00 0.00 0.12 -5.09 105.19 110.62 2aff n GLY 14 Ca 0.09 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.38 1.90 -0.16 1.61 1.01 -1.23 -4.85 120.40 116.30 2aff s VAL 15 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 2aff s VAL 15 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2aff s VAL 15 CO 0.00 0.53 1.64 -1.81 0.00 0.00 0.00 175.10 175.46 2aff s ASP 16 N 0.13 6.46 0.00 3.32 1.01 -1.26 -0.22 116.67 126.11 2aff s ASP 16 Ca -0.11 1.84 0.00 0.00 0.71 0.00 0.00 52.55 55.00 2aff s ASP 16 Cb -0.15 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2aff s ASP 16 CO 0.06 -1.16 0.00 0.61 0.21 0.00 0.00 175.17 174.89 2aff n GLY 17 N 4.49 1.37 3.78 0.21 0.00 -0.83 -4.94 105.19 109.26 2aff n GLY 17 Ca 0.19 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 4.13 3.49 -0.00 1.61 0.04 -1.26 -4.74 135.00 138.27 2aff s PRO 18 Ca 0.00 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.65 2aff s PRO 18 Cb 0.00 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2aff s PRO 18 CO 0.00 -0.74 0.02 -3.38 0.04 0.00 0.00 177.00 172.95 2aff s HIS 19 N -1.77 3.14 -0.46 0.56 -3.43 -1.26 -2.09 115.29 109.97 2aff s HIS 19 Ca 0.70 0.12 -0.01 0.00 -0.80 0.00 0.00 55.06 55.07 2aff s HIS 19 Cb -0.23 -1.69 0.12 0.00 -1.43 0.00 0.00 32.58 29.35 2aff s HIS 19 CO 0.27 0.49 0.24 0.12 -2.00 0.00 0.00 174.74 173.86 2aff s PHE 20 N -1.12 3.53 0.16 0.38 5.36 0.25 -4.96 117.98 121.57 2aff s PHE 20 Ca 0.21 -2.70 -0.30 0.00 -0.96 0.00 0.00 56.93 53.17 2aff s PHE 20 Cb -0.12 -3.11 -0.07 0.00 -0.34 0.00 0.00 43.02 39.38 2aff s PHE 20 CO 0.11 -0.91 1.19 -1.25 -1.46 0.00 0.00 175.22 172.91 2aff s PRO 21 N 0.62 4.49 -1.17 10.12 0.04 -1.26 -2.06 135.00 145.78 2aff s PRO 21 Ca 0.12 1.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 2aff s PRO 21 Cb -0.22 -3.27 0.11 0.00 0.04 0.00 0.00 34.50 31.16 2aff s PRO 21 CO -0.04 -0.11 1.51 -0.51 0.04 0.00 0.00 177.00 177.89 2aff s LEU 22 N 0.03 4.36 0.05 -3.56 1.43 -0.87 -4.67 118.68 115.45 2aff s LEU 22 Ca 0.54 -2.42 0.25 0.00 -1.03 0.00 0.00 54.13 51.47 2aff s LEU 22 Cb -0.32 -2.49 0.58 0.00 0.03 0.00 0.00 46.19 43.99 2aff s LEU 22 CO 0.35 -1.07 1.48 -1.54 0.23 0.00 0.00 176.35 175.80 2aff n SER 23 N 7.30 0.51 -4.89 2.29 3.41 -1.26 -4.70 113.62 116.29 2aff n SER 23 Ca 0.39 0.05 -0.36 0.00 -0.26 0.00 0.00 58.87 58.69 2aff n SER 23 Cb 0.46 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 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 -3.53 4.39 0.29 1.04 1.43 -1.26 -4.98 118.68 116.06 2aff s LEU 24 Ca 0.10 0.46 0.23 0.00 -1.03 0.00 0.00 54.13 53.89 2aff s LEU 24 Cb 0.16 -2.33 1.07 0.00 0.03 0.00 0.00 46.19 45.12 2aff s LEU 24 CO 0.68 0.34 1.71 -1.54 0.23 0.00 0.00 176.35 177.77 2aff n SER 25 N 1.56 0.67 -4.00 2.29 3.41 -1.26 -4.58 113.62 111.70 2aff n SER 25 Ca -0.16 0.71 -0.22 0.00 -0.26 0.00 0.00 58.87 58.93 2aff n SER 25 Cb 0.54 -0.83 -0.16 0.00 -0.26 0.00 0.00 64.21 63.50 2aff n SER 25 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2aff s THR 26 N -3.41 0.93 -0.15 6.66 2.01 -1.26 -1.03 115.64 119.40 2aff s THR 26 Ca 0.02 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2aff s THR 26 Cb 0.08 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.77 2aff s THR 26 CO 0.34 0.30 -0.12 0.00 -0.69 0.00 0.00 174.62 174.45 2aff s LEU 28 N 1.53 2.50 -0.02 0.00 2.96 -1.26 -0.55 118.68 123.84 2aff s LEU 28 Ca 0.04 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2aff s LEU 28 Cb -0.13 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2aff s LEU 28 CO -0.10 0.18 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.73 2aff s PHE 29 N 0.23 3.02 -5.00 5.38 0.40 0.18 0.11 117.98 122.31 2aff s PHE 29 Ca -0.11 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 2aff s PHE 29 Cb -0.16 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.69 2aff s PHE 29 CO 0.06 0.42 0.00 0.41 0.70 0.00 0.00 175.22 176.82 2aff n GLY 30 N 1.65 -0.28 0.04 4.36 0.00 -0.85 -2.41 105.19 107.70 2aff n GLY 30 Ca -0.16 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 2aff n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aff n ARG 31 N 0.00 1.44 -1.15 1.61 1.74 -0.23 -2.10 116.66 117.97 2aff n ARG 31 Ca 0.00 -0.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.69 2aff n ARG 31 Cb 0.00 -1.31 0.12 0.00 -1.02 0.00 0.00 32.46 30.24 2aff n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aff n GLY 32 N 2.08 -0.29 0.27 -0.13 0.00 -1.03 -4.86 105.19 101.22 2aff n GLY 32 Ca -0.14 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.76 1.23 -0.47 -0.61 1.08 -1.95 -1.13 117.51 114.89 2aff h ILE 33 Ca -0.46 -0.73 0.14 0.00 -0.39 0.00 0.00 64.86 63.41 2aff h ILE 33 Cb 1.31 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 2aff h ILE 33 CO 0.45 0.28 0.35 -0.33 -0.69 0.00 0.00 178.15 178.22 2aff h GLU 34 N 0.82 0.00 -6.09 2.37 5.08 -1.93 -3.40 114.58 111.43 2aff h GLU 34 Ca 0.20 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.92 2aff h GLU 34 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2aff h GLU 34 CO -0.01 0.00 1.30 0.00 -1.00 0.00 0.00 179.01 179.30 2aff h ASP 36 N 11.65 0.00 -3.21 0.00 3.32 0.60 -3.36 116.42 125.40 2aff h ASP 36 Ca -0.38 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.13 2aff h ASP 36 Cb 1.29 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.48 2aff h ASP 36 CO 0.98 0.00 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.06 2aff s ILE 37 N -4.50 1.15 -0.09 0.35 1.01 0.06 -4.94 121.20 114.24 2aff s ILE 37 Ca -0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 2aff s ILE 37 Cb 0.14 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 2aff s ILE 37 CO 0.51 0.38 -0.07 -0.13 0.00 0.00 0.00 174.94 175.63 2aff s ARG 38 N 1.46 3.00 -0.13 2.79 0.52 -1.26 -2.01 118.95 123.33 2aff s ARG 38 Ca 0.01 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2aff s ARG 38 Cb -0.13 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 2aff s ARG 38 CO -0.06 0.53 -0.15 0.42 0.02 0.00 0.00 175.30 176.05 2aff s ILE 39 N -0.44 2.78 0.00 1.52 1.01 -0.89 -5.00 121.20 120.19 2aff s ILE 39 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.96 2aff s ILE 39 Cb -0.12 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.19 2aff s ILE 39 CO 0.02 0.53 0.80 0.00 0.00 0.00 0.00 174.94 176.29 2aff n GLN 40 N 3.65 0.59 -4.89 2.79 6.02 -1.26 -4.73 117.38 119.55 2aff n GLN 40 Ca -0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.48 2aff n GLN 40 Cb 0.53 -1.21 -0.15 0.00 1.02 0.00 0.00 30.24 30.43 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 2.58 0.28 1.08 1.43 -1.26 -5.01 118.68 117.78 2aff s LEU 41 Ca 0.00 -0.36 0.25 0.00 -1.03 0.00 0.00 54.13 52.99 2aff s LEU 41 Cb 0.00 -1.56 0.99 0.00 0.03 0.00 0.00 46.19 45.65 2aff s LEU 41 CO 0.00 0.19 1.74 1.55 0.23 0.00 0.00 176.35 180.06 2aff h PRO 42 N 6.49 0.00 -0.01 1.29 0.13 -2.02 -2.57 132.00 135.32 2aff h PRO 42 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2aff h PRO 42 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2aff h PRO 42 CO 0.53 0.00 -0.01 1.33 -0.23 0.00 0.00 178.00 179.62 2aff n VAL 43 N -2.31 0.00 -3.49 1.56 0.24 -1.26 -4.77 118.33 108.30 2aff n VAL 43 Ca 0.02 -0.10 -0.37 0.00 -2.04 0.00 0.00 64.34 61.85 2aff n VAL 43 Cb 0.26 -0.08 -0.06 0.00 -1.47 0.00 0.00 33.84 32.49 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 -2.05 5.22 0.99 3.34 1.01 -0.97 -4.96 120.40 122.98 2aff s VAL 44 Ca 0.42 0.70 -0.13 0.00 0.00 0.00 0.00 61.98 62.97 2aff s VAL 44 Cb 0.21 -3.68 0.18 0.00 0.00 0.00 0.00 36.38 33.09 2aff s VAL 44 CO 0.37 0.43 1.11 -0.55 0.00 0.00 0.00 175.10 176.47 2aff s SER 45 N 0.04 2.75 0.22 3.32 0.15 -1.26 -4.54 113.70 114.37 2aff s SER 45 Ca 0.20 1.03 -0.08 0.00 0.70 0.00 0.00 55.95 57.80 2aff s SER 45 Cb -0.14 -1.62 0.17 0.00 -1.71 0.00 0.00 66.02 62.72 2aff s SER 45 CO 0.08 -3.03 1.81 0.11 1.20 0.00 0.00 173.24 173.40 2aff h LYS 46 N -1.83 1.18 0.00 5.44 1.57 -1.93 -0.60 116.57 120.41 2aff h LYS 46 Ca -0.53 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 2aff h LYS 46 Cb 1.33 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2aff h LYS 46 CO 0.57 0.92 -0.52 1.04 -0.57 0.00 0.00 179.45 180.88 2aff n GLN 47 N -4.33 3.42 0.00 3.15 6.02 -1.26 -2.46 117.38 121.92 2aff n GLN 47 Ca 0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2aff n GLN 47 Cb 0.14 -0.77 0.00 0.00 1.02 0.00 0.00 30.24 30.64 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 -1.26 0.00 -4.24 1.08 -0.00 -1.02 -3.85 115.22 105.91 2aff n HIS 48 Ca -0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 2aff n HIS 48 Cb 0.01 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.73 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 0.11 1.85 -0.07 0.00 2.20 -0.50 0.51 119.74 123.83 2aff s LYS 50 Ca -0.01 -0.49 0.04 0.00 -0.36 0.00 0.00 55.97 55.14 2aff s LYS 50 Cb -0.06 -1.51 -0.02 0.00 -1.51 0.00 0.00 37.83 34.73 2aff s LYS 50 CO -0.00 0.08 -0.19 0.42 -0.36 0.00 0.00 175.35 175.30 2aff s ILE 51 N 0.51 2.61 -0.16 5.43 1.01 0.29 0.85 121.20 131.75 2aff s ILE 51 Ca -0.13 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.67 2aff s ILE 51 Cb -0.15 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.31 2aff s ILE 51 CO 0.04 0.56 -0.17 -1.61 0.00 0.00 0.00 174.94 173.77 2aff s GLU 52 N -0.20 3.16 -0.31 2.79 0.41 0.16 -2.12 118.70 122.60 2aff s GLU 52 Ca -0.01 -0.77 -0.09 0.00 -0.41 0.00 0.00 54.97 53.68 2aff s GLU 52 Cb -0.13 -2.59 -0.01 0.00 -1.78 0.00 0.00 34.13 29.62 2aff s GLU 52 CO 0.03 -0.01 0.14 0.42 -0.49 0.00 0.00 175.26 175.35 2aff s ILE 53 N 0.87 4.54 -0.03 -1.63 1.01 -0.20 -1.03 121.20 124.74 2aff s ILE 53 Ca -0.05 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.20 2aff s ILE 53 Cb -0.15 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2aff s ILE 53 CO -0.02 0.08 -0.11 -1.00 0.00 0.00 0.00 174.94 173.90 2aff s HIS 54 N 1.60 2.79 0.59 3.97 3.76 0.38 -4.91 115.29 123.48 2aff s HIS 54 Ca 0.04 -0.09 0.23 0.00 -0.15 0.00 0.00 55.06 55.09 2aff s HIS 54 Cb -0.17 -1.63 0.77 0.00 1.11 0.00 0.00 32.58 32.67 2aff s HIS 54 CO 0.06 0.28 1.22 -1.91 -0.85 0.00 0.00 174.74 173.54 2aff n GLU 55 N 2.02 0.02 0.07 1.40 4.07 -1.26 0.89 120.64 127.84 2aff n GLU 55 Ca -0.17 0.98 -0.03 0.00 -0.06 0.00 0.00 57.16 57.88 2aff n GLU 55 Cb 0.52 -2.47 -0.01 0.00 -0.06 0.00 0.00 31.44 29.43 2aff n GLU 55 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2aff h GLN 56 N 0.00 -0.18 0.00 5.31 4.15 -2.00 -3.49 115.11 118.90 2aff h GLN 56 Ca 0.42 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.85 2aff h GLN 56 Cb 2.74 0.04 0.00 0.00 0.21 0.00 0.00 27.48 30.47 2aff h GLN 56 CO -0.00 -0.12 0.00 -0.85 -1.93 0.00 0.00 178.83 175.93 2aff n GLU 57 N -2.62 0.00 -4.61 1.69 0.28 0.26 -5.15 120.64 110.48 2aff n GLU 57 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.65 2aff n GLU 57 Cb 0.07 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 32.79 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 -1.00 2.45 -0.12 -1.84 0.00 -1.26 -0.47 121.76 119.52 2aff s ALA 58 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2aff s ALA 58 Cb 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 2aff s ALA 58 CO 0.00 0.01 -0.15 0.42 0.00 0.00 0.00 175.76 176.04 2aff s ILE 59 N 0.75 2.91 -0.20 0.00 1.01 -0.19 0.19 121.20 125.66 2aff s ILE 59 Ca -0.07 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 59 Cb -0.16 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 2aff s ILE 59 CO 0.01 0.54 0.11 -0.22 0.00 0.00 0.00 174.94 175.37 2aff s LEU 60 N 0.23 4.04 -0.09 2.97 2.96 -0.08 -0.66 118.68 128.05 2aff s LEU 60 Ca -0.10 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2aff s LEU 60 Cb -0.16 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 2aff s LEU 60 CO 0.06 0.16 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.13 2aff s HIS 61 N 0.46 2.79 -0.50 5.38 3.76 0.25 -2.02 115.29 125.41 2aff s HIS 61 Ca 0.06 -0.30 -0.18 0.00 -0.15 0.00 0.00 55.06 54.49 2aff s HIS 61 Cb -0.12 -1.73 0.06 0.00 1.11 0.00 0.00 32.58 31.90 2aff s HIS 61 CO -0.00 0.06 0.56 1.21 -0.85 0.00 0.00 174.74 175.72 2aff s ASN 62 N -0.31 6.20 -0.00 1.40 2.47 -1.26 -1.41 114.94 122.03 2aff s ASN 62 Ca 0.03 -1.04 0.21 0.00 0.42 0.00 0.00 52.86 52.49 2aff s ASN 62 Cb -0.13 -2.26 -0.17 0.00 -1.45 0.00 0.00 41.25 37.25 2aff s ASN 62 CO 0.03 -0.82 0.94 0.49 -3.72 0.00 0.00 177.10 174.01 2aff n PHE 63 N 5.90 0.00 -2.80 0.43 3.01 -0.21 -4.81 117.46 118.98 2aff n PHE 63 Ca -0.08 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.95 2aff n PHE 63 Cb 0.45 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 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 -3.02 6.23 0.21 4.37 0.01 -0.05 -4.63 113.70 116.82 2aff s SER 64 Ca 0.08 -1.03 0.08 0.00 1.31 0.00 0.00 55.95 56.40 2aff s SER 64 Cb 0.16 -2.45 0.11 0.00 0.21 0.00 0.00 66.02 64.05 2aff s SER 64 CO 0.86 -1.48 1.47 0.28 0.41 0.00 0.00 173.24 174.77 2aff h SER 65 N 9.59 0.03 -0.43 2.44 0.02 -1.90 -3.00 113.55 120.29 2aff h SER 65 Ca -0.22 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2aff h SER 65 Cb 1.06 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 2aff h SER 65 CO 1.20 0.80 0.26 0.74 -1.14 0.00 0.00 176.83 178.69 2aff h THR 66 N 0.01 1.14 -2.47 -2.27 2.02 -2.00 -3.40 112.91 105.95 2aff h THR 66 Ca -0.01 -0.33 -0.40 0.00 0.77 0.00 0.00 66.41 66.44 2aff h THR 66 Cb 1.38 0.58 -0.36 0.00 -1.74 0.00 0.00 68.15 68.01 2aff h THR 66 CO 0.10 0.14 -0.69 0.20 0.37 0.00 0.00 175.52 175.65 2aff s ASN 67 N -5.68 2.29 0.51 4.18 0.01 -1.21 -5.14 114.94 109.90 2aff s ASN 67 Ca -0.13 -0.84 -0.22 0.00 -0.71 0.00 0.00 52.86 50.96 2aff s ASN 67 Cb 0.11 0.16 -0.07 0.00 0.41 0.00 0.00 41.25 41.86 2aff s ASN 67 CO 0.74 -0.39 1.16 -2.65 -1.51 0.00 0.00 177.10 174.44 2aff n PRO 68 N 5.29 1.44 -2.43 -0.60 -0.02 -1.14 -4.69 135.00 132.85 2aff n PRO 68 Ca -0.04 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.59 2aff n PRO 68 Cb 0.46 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 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 3.44 -0.12 3.45 2.01 -1.26 -4.83 115.64 117.01 2aff s THR 69 Ca 0.69 1.19 -0.05 0.00 0.31 0.00 0.00 61.69 63.83 2aff s THR 69 Cb -0.46 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2aff s THR 69 CO 0.52 0.09 0.08 -1.10 -0.69 0.00 0.00 174.62 173.52 2aff s GLN 70 N -2.27 3.36 -0.04 4.92 -0.21 -0.20 -1.66 119.66 123.56 2aff s GLN 70 Ca 0.56 -0.25 0.02 0.00 0.02 0.00 0.00 55.36 55.70 2aff s GLN 70 Cb -0.27 -3.06 0.01 0.00 1.00 0.00 0.00 33.01 30.69 2aff s GLN 70 CO 0.34 0.69 -0.07 0.08 -2.12 0.00 0.00 175.29 174.21 2aff s VAL 71 N -0.80 0.71 -1.38 1.09 1.01 0.35 0.20 120.40 121.58 2aff s VAL 71 Ca 0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2aff s VAL 71 Cb -0.12 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.61 2aff s VAL 71 CO 0.03 0.25 0.42 0.59 0.00 0.00 0.00 175.10 176.39 2aff n ASN 72 N 3.77 -4.78 -0.66 3.32 3.02 0.06 -0.57 115.26 119.42 2aff n ASN 72 Ca -0.23 -0.23 -0.07 0.00 -0.03 0.00 0.00 54.58 54.02 2aff n ASN 72 Cb 0.52 -3.92 -0.01 0.00 -0.61 0.00 0.00 39.78 35.75 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 -1.23 0.45 3.09 7.41 0.00 -1.26 -5.03 105.19 108.62 2aff n GLY 73 Ca -0.09 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.80 -0.16 0.32 1.61 0.15 0.26 -5.10 113.70 107.98 2aff s SER 74 Ca 0.00 0.26 -0.28 0.00 0.70 0.00 0.00 55.95 56.63 2aff s SER 74 Cb 0.00 0.36 -0.09 0.00 -1.71 0.00 0.00 66.02 64.58 2aff s SER 74 CO 0.00 -0.15 1.12 0.54 1.20 0.00 0.00 173.24 175.95 2aff s VAL 75 N -0.27 3.40 -0.50 4.45 0.11 -1.26 0.13 120.40 126.47 2aff s VAL 75 Ca -0.04 1.31 -0.08 0.00 -2.93 0.00 0.00 61.98 60.25 2aff s VAL 75 Cb -0.03 -3.80 0.13 0.00 -1.53 0.00 0.00 36.38 31.15 2aff s VAL 75 CO 0.01 0.24 0.35 0.27 -3.33 0.00 0.00 175.10 172.64 2aff s ILE 76 N -1.28 4.07 0.35 7.04 -4.36 -0.66 -4.89 121.20 121.47 2aff s ILE 76 Ca 0.49 -1.99 0.09 0.00 -0.26 0.00 0.00 60.65 58.97 2aff s ILE 76 Cb -0.31 -3.69 0.11 0.00 1.25 0.00 0.00 42.46 39.82 2aff s ILE 76 CO 0.39 -0.79 1.83 0.44 0.24 0.00 0.00 174.94 177.06 2aff h ASP 77 N 8.20 0.22 -2.03 4.36 3.32 -1.95 -3.43 116.42 125.12 2aff h ASP 77 Ca -0.16 -0.06 -0.59 0.00 0.02 0.00 0.00 57.03 56.24 2aff h ASP 77 Cb 1.05 -0.06 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 2aff h ASP 77 CO 0.81 0.48 -0.57 -1.83 -1.72 0.00 0.00 179.24 176.41 2aff s GLU 78 N -4.48 1.92 0.56 3.56 -1.05 -1.26 -4.96 118.70 112.99 2aff s GLU 78 Ca -0.05 -2.13 -0.21 0.00 -0.15 0.00 0.00 54.97 52.43 2aff s GLU 78 Cb 0.15 -1.26 -0.04 0.00 -0.44 0.00 0.00 34.13 32.53 2aff s GLU 78 CO 0.75 -0.21 1.34 -2.30 0.95 0.00 0.00 175.26 175.79 2aff n PRO 79 N -0.94 1.61 -3.88 -4.83 -0.02 -1.26 -4.78 135.00 120.90 2aff n PRO 79 Ca -0.07 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 61.88 2aff n PRO 79 Cb 0.67 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.45 2aff n PRO 79 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2aff s VAL 80 N -1.30 0.01 0.09 -1.45 0.11 -0.86 -5.01 120.40 111.99 2aff s VAL 80 Ca 0.73 -0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 59.44 2aff s VAL 80 Cb -0.41 -0.02 -0.06 0.00 -1.53 0.00 0.00 36.38 34.35 2aff s VAL 80 CO 0.48 -0.02 1.14 -0.13 -3.33 0.00 0.00 175.10 173.24 2aff s ARG 81 N -0.06 4.50 0.08 1.54 0.52 -1.26 -0.90 118.95 123.37 2aff s ARG 81 Ca -0.01 1.71 -0.22 0.00 -0.52 0.00 0.00 55.73 56.69 2aff s ARG 81 Cb -0.00 -3.34 -0.07 0.00 0.52 0.00 0.00 34.95 32.06 2aff s ARG 81 CO -0.00 -0.12 0.65 -0.51 0.02 0.00 0.00 175.30 175.34 2aff s LEU 82 N 0.58 4.52 0.13 2.53 1.43 0.49 -4.90 118.68 123.46 2aff s LEU 82 Ca 0.55 1.37 0.05 0.00 -1.03 0.00 0.00 54.13 55.07 2aff s LEU 82 Cb -0.28 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2aff s LEU 82 CO 0.31 0.19 -0.13 -0.54 0.23 0.00 0.00 176.35 176.42 2aff s LYS 83 N -0.82 1.04 0.10 1.70 1.02 -1.26 -4.17 119.74 117.35 2aff s LYS 83 Ca 0.32 -1.31 -0.31 0.00 0.02 0.00 0.00 55.97 54.70 2aff s LYS 83 Cb -0.20 -0.81 -0.10 0.00 -0.52 0.00 0.00 37.83 36.19 2aff s LYS 83 CO 0.21 0.14 1.88 1.58 -0.92 0.00 0.00 175.35 178.24 2aff n HIS 84 N 0.29 2.61 0.00 3.18 -0.00 -1.26 -1.28 115.22 118.75 2aff n HIS 84 Ca -0.14 -0.22 0.00 0.00 -0.00 0.00 0.00 57.72 57.36 2aff n HIS 84 Cb 0.58 -2.76 0.00 0.00 -0.00 0.00 0.00 29.99 27.82 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 4.33 1.48 3.75 1.57 0.00 0.00 -4.96 105.19 111.37 2aff n GLY 85 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.73 6.93 -0.13 1.61 1.01 -0.41 -4.79 116.67 119.17 2aff s ASP 86 Ca 0.00 2.46 -0.00 0.00 0.71 0.00 0.00 52.55 55.72 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.46 -0.12 -0.69 0.21 0.00 0.00 175.17 174.11 2aff s VAL 87 N -0.47 3.13 -0.15 -1.27 1.01 -1.26 -1.96 120.40 119.42 2aff s VAL 87 Ca 0.52 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 2aff s VAL 87 Cb -0.37 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2aff s VAL 87 CO 0.43 0.53 0.06 -0.63 0.00 0.00 0.00 175.10 175.49 2aff s ILE 88 N 0.28 4.79 -0.07 2.22 1.01 -1.02 -0.76 121.20 127.66 2aff s ILE 88 Ca -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.54 2aff s ILE 88 Cb -0.15 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.21 2aff s ILE 88 CO 0.05 0.51 -0.12 -0.89 0.00 0.00 0.00 174.94 174.49 2aff s THR 89 N -0.08 1.15 -0.17 2.92 2.01 0.52 -0.71 115.64 121.28 2aff s THR 89 Ca 0.07 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.56 2aff s THR 89 Cb -0.12 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 2aff s THR 89 CO 0.01 0.36 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.58 2aff s ILE 90 N 0.67 3.18 0.00 1.82 1.01 0.68 -1.03 121.20 127.52 2aff s ILE 90 Ca -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2aff s ILE 90 Cb -0.16 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.92 2aff s ILE 90 CO 0.04 0.48 0.00 -0.38 0.00 0.00 0.00 174.94 175.08 2aff n ILE 91 N 4.15 0.00 -0.09 2.92 5.41 -1.26 0.29 119.36 130.78 2aff n ILE 91 Ca -0.18 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.59 2aff n ILE 91 Cb 0.52 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.50 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 1.43 2.34 -4.25 4.38 5.75 -1.26 -5.00 116.55 119.94 2aff n ASP 92 Ca 0.00 -2.03 -0.29 0.00 -0.01 0.00 0.00 54.79 52.46 2aff n ASP 92 Cb 0.00 -0.09 -0.16 0.00 -1.03 0.00 0.00 41.12 39.84 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 -1.06 1.90 0.04 0.11 0.52 0.84 -4.85 118.95 116.46 2aff s ARG 93 Ca 0.09 -0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 54.47 2aff s ARG 93 Cb 0.05 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.68 2aff s ARG 93 CO 0.05 0.47 -0.02 -1.54 0.02 0.00 0.00 175.30 174.29 2aff s SER 94 N -0.48 0.36 -0.13 0.23 1.04 -1.26 0.25 113.70 113.70 2aff s SER 94 Ca 0.07 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.76 2aff s SER 94 Cb -0.09 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.21 2aff s SER 94 CO -0.00 -0.47 -0.15 -0.36 0.98 0.00 0.00 173.24 173.24 2aff s PHE 95 N -2.77 2.11 0.05 5.02 0.40 0.11 -2.55 117.98 120.35 2aff s PHE 95 Ca -0.04 -1.12 -0.29 0.00 -0.60 0.00 0.00 56.93 54.88 2aff s PHE 95 Cb -0.00 -1.54 -0.05 0.00 0.51 0.00 0.00 43.02 41.94 2aff s PHE 95 CO -0.06 -0.60 0.92 1.03 0.70 0.00 0.00 175.22 177.21 2aff s ARG 96 N 1.30 4.60 -0.23 0.44 0.52 -0.87 -2.44 118.95 122.27 2aff s ARG 96 Ca 0.01 1.34 -0.09 0.00 -0.52 0.00 0.00 55.73 56.47 2aff s ARG 96 Cb -0.14 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 2aff s ARG 96 CO -0.07 0.11 0.12 -0.47 0.02 0.00 0.00 175.30 175.01 2aff s TYR 97 N 0.43 3.25 -0.03 -0.53 5.04 -0.83 -2.16 117.35 122.52 2aff s TYR 97 Ca 0.47 0.07 -0.01 0.00 -2.44 0.00 0.00 57.07 55.16 2aff s TYR 97 Cb -0.22 -2.22 0.03 0.00 0.35 0.00 0.00 41.96 39.90 2aff s TYR 97 CO 0.27 -0.00 0.05 -1.21 -1.34 0.00 0.00 175.55 173.32 2aff s GLU 98 N 1.04 -0.03 -0.04 4.97 2.02 -1.02 -0.81 118.70 124.82 2aff s GLU 98 Ca 0.06 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.31 2aff s GLU 98 Cb -0.14 -0.29 -0.03 0.00 0.10 0.00 0.00 34.13 33.76 2aff s GLU 98 CO 0.04 -0.21 -0.01 -0.80 0.02 0.00 0.00 175.26 174.31 2aff s ASN 99 N 1.35 5.10 0.00 -0.19 0.01 -1.26 -1.83 114.94 118.11 2aff s ASN 99 Ca -0.06 0.05 0.31 0.00 -0.71 0.00 0.00 52.86 52.45 2aff s ASN 99 Cb -0.13 -1.37 1.68 0.00 0.41 0.00 0.00 41.25 41.85 2aff s ASN 99 CO -0.03 0.33 2.10 -0.62 -1.51 0.00 0.00 177.10 177.37