#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 1.27 -3.20 0.52 -2.24 -1.26 -4.93 114.28 104.44 2aff n THR 4 Ca 0.00 -0.43 -0.39 0.00 -2.27 0.00 0.00 64.05 60.96 2aff n THR 4 Cb 0.00 -1.45 -0.06 0.00 -2.10 0.00 0.00 70.33 66.72 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 -2.44 4.27 -0.03 -0.78 0.52 -1.26 -2.75 118.95 116.49 2aff s ARG 5 Ca -0.31 0.55 0.03 0.00 -0.52 0.00 0.00 55.73 55.48 2aff s ARG 5 Cb 0.09 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 32.05 2aff s ARG 5 CO 0.48 -0.06 -0.12 -0.98 0.02 0.00 0.00 175.30 174.64 2aff s ARG 6 N 1.32 1.29 -0.09 3.54 1.70 0.25 -1.97 118.95 124.98 2aff s ARG 6 Ca 0.28 -0.42 0.02 0.00 -0.47 0.00 0.00 55.73 55.14 2aff s ARG 6 Cb -0.16 -1.16 -0.02 0.00 -0.57 0.00 0.00 34.95 33.05 2aff s ARG 6 CO 0.11 0.16 -0.16 -1.17 -1.08 0.00 0.00 175.30 173.16 2aff s LEU 7 N 0.16 2.59 -0.14 -1.89 2.96 -0.83 -1.84 118.68 119.70 2aff s LEU 7 Ca -0.04 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2aff s LEU 7 Cb -0.10 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2aff s LEU 7 CO 0.01 0.23 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.54 2aff s VAL 8 N -0.06 3.89 -0.29 1.68 1.01 -0.83 0.53 120.40 126.33 2aff s VAL 8 Ca -0.04 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 2aff s VAL 8 Cb -0.14 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 2aff s VAL 8 CO 0.04 0.52 0.59 -0.89 0.00 0.00 0.00 175.10 175.36 2aff s THR 9 N 0.12 4.99 0.17 3.92 2.01 -0.93 -1.99 115.64 123.93 2aff s THR 9 Ca -0.01 0.88 -0.21 0.00 0.31 0.00 0.00 61.69 62.65 2aff s THR 9 Cb -0.14 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 2aff s THR 9 CO 0.03 -0.05 0.71 -0.63 -0.69 0.00 0.00 174.62 173.99 2aff s ILE 10 N 2.49 4.53 0.46 1.82 1.01 -0.88 -2.08 121.20 128.56 2aff s ILE 10 Ca 0.24 1.41 -0.03 0.00 0.00 0.00 0.00 60.65 62.26 2aff s ILE 10 Cb -0.15 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2aff s ILE 10 CO 0.11 0.38 0.73 -0.54 0.00 0.00 0.00 174.94 175.62 2aff s LYS 11 N -1.53 3.45 0.45 2.79 1.02 0.34 -4.50 119.74 121.76 2aff s LYS 11 Ca 0.38 0.01 0.16 0.00 0.02 0.00 0.00 55.97 56.54 2aff s LYS 11 Cb -0.19 -2.45 1.10 0.00 -0.52 0.00 0.00 37.83 35.76 2aff s LYS 11 CO 0.22 -0.16 1.98 0.00 -0.92 0.00 0.00 175.35 176.47 2aff h ARG 12 N 0.33 0.33 0.00 1.68 3.08 -1.86 0.60 114.38 118.54 2aff h ARG 12 Ca -0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.22 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2aff h ARG 12 CO 0.61 0.22 0.00 0.45 -1.07 0.00 0.00 179.97 180.18 2aff n SER 13 N -4.46 0.00 -0.02 7.04 2.88 -1.26 -4.87 113.62 112.93 2aff n SER 13 Ca 0.10 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2aff n SER 13 Cb 0.42 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 1.11 1.30 3.33 0.46 0.00 0.21 -5.09 105.19 106.51 2aff n GLY 14 Ca 0.08 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.05 2.60 0.22 1.61 1.01 -1.23 -4.79 120.40 117.77 2aff s VAL 15 Ca 0.00 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 2aff s VAL 15 Cb 0.00 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.27 2aff s VAL 15 CO 0.00 0.55 0.78 1.51 0.00 0.00 0.00 175.10 177.94 2aff s ASP 16 N 0.07 7.23 0.00 3.32 -4.77 -1.26 0.13 116.67 121.38 2aff s ASP 16 Ca -0.08 1.57 0.00 0.00 -3.30 0.00 0.00 52.55 50.74 2aff s ASP 16 Cb -0.15 -2.48 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 2aff s ASP 16 CO 0.05 0.08 0.00 0.61 0.70 0.00 0.00 175.17 176.62 2aff n GLY 17 N 1.02 2.45 3.79 2.12 0.00 -0.88 -4.93 105.19 108.76 2aff n GLY 17 Ca -0.03 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 1.81 3.79 0.06 1.61 0.04 -1.26 -4.80 135.00 136.25 2aff s PRO 18 Ca 0.00 1.50 0.05 0.00 0.04 0.00 0.00 61.00 62.60 2aff s PRO 18 Cb 0.00 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2aff s PRO 18 CO 0.00 -0.46 -0.08 -3.38 0.04 0.00 0.00 177.00 173.12 2aff s HIS 19 N -1.80 2.81 -0.35 0.56 -3.43 -1.26 -2.18 115.29 109.64 2aff s HIS 19 Ca 0.66 -0.11 -0.01 0.00 -0.80 0.00 0.00 55.06 54.80 2aff s HIS 19 Cb -0.21 -1.51 0.08 0.00 -1.43 0.00 0.00 32.58 29.51 2aff s HIS 19 CO 0.25 0.40 0.08 0.12 -2.00 0.00 0.00 174.74 173.59 2aff s PHE 20 N -1.13 3.46 0.12 0.38 5.36 0.19 -4.96 117.98 121.40 2aff s PHE 20 Ca 0.20 -2.26 -0.30 0.00 -0.96 0.00 0.00 56.93 53.61 2aff s PHE 20 Cb -0.11 -2.65 -0.06 0.00 -0.34 0.00 0.00 43.02 39.86 2aff s PHE 20 CO 0.12 -0.89 1.13 -1.25 -1.46 0.00 0.00 175.22 172.86 2aff s PRO 21 N 1.15 4.53 -0.51 10.12 0.04 -1.26 -1.96 135.00 147.11 2aff s PRO 21 Ca 0.02 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 2aff s PRO 21 Cb -0.21 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 2aff s PRO 21 CO -0.03 -0.06 2.94 1.28 0.04 0.00 0.00 177.00 181.16 2aff n LEU 22 N 3.08 6.49 -0.02 -3.56 4.77 -0.83 -4.56 117.00 122.37 2aff n LEU 22 Ca 0.05 -3.98 0.05 0.00 -0.03 0.00 0.00 56.01 52.11 2aff n LEU 22 Cb 0.47 -1.31 0.43 0.00 -2.33 0.00 0.00 43.42 40.68 2aff n LEU 22 CO 0.54 1.78 1.17 0.28 -1.33 0.00 0.00 177.39 179.84 2aff h SER 23 N 3.30 0.46 -3.95 -1.43 0.02 -1.92 -3.42 113.55 106.61 2aff h SER 23 Ca 0.41 -0.01 -0.50 0.00 -0.84 0.00 0.00 61.79 60.85 2aff h SER 23 Cb 0.83 -0.11 0.04 0.00 0.14 0.00 0.00 62.40 63.31 2aff h SER 23 CO 0.84 0.33 0.48 -0.76 -1.14 0.00 0.00 176.83 176.58 2aff s LEU 24 N -9.48 4.16 0.37 5.07 1.43 -1.26 -4.92 118.68 114.05 2aff s LEU 24 Ca -0.08 2.26 0.27 0.00 -1.03 0.00 0.00 54.13 55.55 2aff s LEU 24 Cb 0.18 -4.08 1.20 0.00 0.03 0.00 0.00 46.19 43.51 2aff s LEU 24 CO 0.74 -0.65 1.82 0.28 0.23 0.00 0.00 176.35 178.76 2aff h SER 25 N 2.55 0.00 -3.70 2.29 0.02 -1.91 -3.42 113.55 109.38 2aff h SER 25 Ca -0.49 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.06 2aff h SER 25 Cb 1.23 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.46 2aff h SER 25 CO 0.62 0.00 -0.78 -0.89 -1.14 0.00 0.00 176.83 174.65 2aff s THR 26 N -3.49 0.62 -0.17 -2.27 2.01 -1.26 -0.67 115.64 110.40 2aff s THR 26 Ca 0.02 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2aff s THR 26 Cb 0.09 -0.58 0.04 0.00 0.01 0.00 0.00 72.50 72.06 2aff s THR 26 CO 0.41 0.21 -0.10 0.00 -0.69 0.00 0.00 174.62 174.45 2aff s LEU 28 N 1.50 2.75 -0.09 0.00 2.96 -1.26 -0.10 118.68 124.43 2aff s LEU 28 Ca 0.01 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 2aff s LEU 28 Cb -0.15 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2aff s LEU 28 CO -0.09 0.13 0.00 -0.36 -1.32 0.00 0.00 176.35 174.71 2aff s PHE 29 N 0.58 3.16 -5.00 5.38 0.40 0.22 0.07 117.98 122.79 2aff s PHE 29 Ca -0.07 0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 2aff s PHE 29 Cb -0.15 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.57 2aff s PHE 29 CO 0.03 0.44 0.00 0.41 0.70 0.00 0.00 175.22 176.80 2aff n GLY 30 N 2.25 -0.07 0.14 4.36 0.00 -0.84 -2.40 105.19 108.64 2aff n GLY 30 Ca -0.18 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 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 4.60 0.27 -6.22 1.61 3.08 -1.37 -3.21 114.38 113.14 2aff h ARG 31 Ca 0.00 -0.28 -0.63 0.00 0.07 0.00 0.00 59.98 59.15 2aff h ARG 31 Cb 0.00 0.08 0.13 0.00 0.08 0.00 0.00 29.97 30.25 2aff h ARG 31 CO 0.00 0.98 -0.40 0.41 -1.07 0.00 0.00 179.97 179.89 2aff n GLY 32 N 0.81 -1.47 0.25 0.04 0.00 -0.89 -4.84 105.19 99.10 2aff n GLY 32 Ca -0.04 0.18 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 2aff n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aff h ILE 33 N 1.05 1.21 -0.04 -0.61 1.08 -1.90 -0.69 117.51 117.61 2aff h ILE 33 Ca -0.36 -0.62 0.01 0.00 -0.39 0.00 0.00 64.86 63.50 2aff h ILE 33 Cb 1.40 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 35.70 2aff h ILE 33 CO 0.54 0.25 0.27 -0.33 -0.69 0.00 0.00 178.15 178.19 2aff h GLU 34 N 0.79 0.00 -6.29 2.37 4.39 -1.96 -3.41 114.58 110.47 2aff h GLU 34 Ca 0.20 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.31 2aff h GLU 34 Cb 0.14 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2aff h GLU 34 CO -0.02 0.00 1.16 0.00 -1.16 0.00 0.00 179.01 178.99 2aff h ASP 36 N 9.86 0.00 -3.21 0.00 3.32 -0.61 -3.36 116.42 122.43 2aff h ASP 36 Ca -0.48 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.03 2aff h ASP 36 Cb 1.26 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.44 2aff h ASP 36 CO 0.95 0.00 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.04 2aff s ILE 37 N -4.74 1.07 -0.16 0.35 1.01 -0.44 -4.96 121.20 113.34 2aff s ILE 37 Ca -0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 2aff s ILE 37 Cb 0.16 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2aff s ILE 37 CO 0.58 0.32 0.07 -0.13 0.00 0.00 0.00 174.94 175.78 2aff s ARG 38 N 1.68 3.73 -0.11 2.79 0.52 -1.25 -1.98 118.95 124.33 2aff s ARG 38 Ca 0.04 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2aff s ARG 38 Cb -0.13 -3.15 -0.00 0.00 0.52 0.00 0.00 34.95 32.18 2aff s ARG 38 CO -0.08 0.44 -0.21 0.42 0.02 0.00 0.00 175.30 175.89 2aff s ILE 39 N -0.10 2.37 0.00 1.52 1.01 -1.21 -4.98 121.20 119.81 2aff s ILE 39 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 39 Cb -0.12 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.41 2aff s ILE 39 CO 0.01 0.55 1.27 0.00 0.00 0.00 0.00 174.94 176.77 2aff n GLN 40 N 3.53 0.76 -3.90 2.79 6.02 -1.26 -4.60 117.38 120.73 2aff n GLN 40 Ca -0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.45 2aff n GLN 40 Cb 0.53 -1.12 -0.14 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 2.99 0.15 1.08 1.43 -1.26 -4.98 118.68 118.09 2aff s LEU 41 Ca 0.00 -0.44 0.21 0.00 -1.03 0.00 0.00 54.13 52.87 2aff s LEU 41 Cb 0.00 -1.75 0.85 0.00 0.03 0.00 0.00 46.19 45.33 2aff s LEU 41 CO 0.00 -0.04 1.64 -0.81 0.23 0.00 0.00 176.35 177.37 2aff n PRO 42 N 4.80 0.12 0.00 1.29 -0.04 -1.26 -2.23 135.00 137.68 2aff n PRO 42 Ca -0.18 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 63.74 2aff n PRO 42 Cb 0.50 -1.72 0.56 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.94 0.00 -3.72 0.52 0.24 -1.26 -4.84 118.33 107.33 2aff n VAL 43 Ca 0.03 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.34 61.89 2aff n VAL 43 Cb 0.23 0.12 -0.05 0.00 -1.47 0.00 0.00 33.84 32.67 2aff n VAL 43 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2aff s VAL 44 N -2.35 5.24 0.83 3.34 0.11 -0.95 -4.89 120.40 121.74 2aff s VAL 44 Ca 0.31 0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 59.36 2aff s VAL 44 Cb 0.20 -3.60 0.09 0.00 -1.53 0.00 0.00 36.38 31.54 2aff s VAL 44 CO 0.45 0.24 1.11 -0.44 -3.33 0.00 0.00 175.10 173.12 2aff s SER 45 N -2.00 4.17 0.21 3.54 0.01 -1.26 -4.70 113.70 113.67 2aff s SER 45 Ca 0.33 1.23 -0.08 0.00 1.31 0.00 0.00 55.95 58.74 2aff s SER 45 Cb -0.13 -1.92 0.16 0.00 0.21 0.00 0.00 66.02 64.34 2aff s SER 45 CO 0.20 -2.16 1.78 0.11 0.41 0.00 0.00 173.24 173.58 2aff h LYS 46 N -1.22 1.20 0.00 12.44 1.57 -1.93 -2.59 116.57 126.03 2aff h LYS 46 Ca -0.48 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 2aff h LYS 46 Cb 1.29 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2aff h LYS 46 CO 0.60 0.97 -1.32 1.04 -0.57 0.00 0.00 179.45 180.17 2aff n GLN 47 N -4.28 0.29 0.00 3.15 6.02 -1.26 -2.10 117.38 119.21 2aff n GLN 47 Ca 0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2aff n GLN 47 Cb 0.19 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.74 0.00 -4.53 1.08 -0.00 -1.13 -3.91 115.22 104.98 2aff n HIS 48 Ca -0.01 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.94 2aff n HIS 48 Cb 0.19 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.90 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 0.26 1.96 -0.11 0.00 2.20 -0.68 0.71 119.74 124.07 2aff s LYS 50 Ca -0.06 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.06 2aff s LYS 50 Cb -0.11 -1.62 -0.02 0.00 -1.51 0.00 0.00 37.83 34.57 2aff s LYS 50 CO 0.01 0.02 -0.09 0.42 -0.36 0.00 0.00 175.35 175.35 2aff s ILE 51 N 0.73 3.49 -0.14 5.43 1.01 0.85 0.29 121.20 132.86 2aff s ILE 51 Ca -0.13 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.01 2aff s ILE 51 Cb -0.16 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.85 2aff s ILE 51 CO 0.03 0.54 -0.17 -1.61 0.00 0.00 0.00 174.94 173.73 2aff s GLU 52 N -0.08 3.20 -0.33 2.79 2.02 -0.32 -1.86 118.70 124.12 2aff s GLU 52 Ca -0.00 -0.77 -0.09 0.00 0.02 0.00 0.00 54.97 54.13 2aff s GLU 52 Cb -0.13 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.54 2aff s GLU 52 CO 0.03 0.06 0.14 0.42 0.02 0.00 0.00 175.26 175.94 2aff s ILE 53 N 0.70 4.31 0.01 -1.63 1.01 0.15 -1.03 121.20 124.71 2aff s ILE 53 Ca -0.08 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.88 2aff s ILE 53 Cb -0.16 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2aff s ILE 53 CO 0.02 -0.06 -0.11 -1.00 0.00 0.00 0.00 174.94 173.79 2aff s HIS 54 N 1.53 2.77 0.58 3.97 3.76 0.32 -4.89 115.29 123.33 2aff s HIS 54 Ca 0.02 -0.12 0.37 0.00 -0.15 0.00 0.00 55.06 55.18 2aff s HIS 54 Cb -0.18 -1.57 1.26 0.00 1.11 0.00 0.00 32.58 33.20 2aff s HIS 54 CO 0.05 0.32 1.40 -1.91 -0.85 0.00 0.00 174.74 173.75 2aff n GLU 55 N 1.63 0.01 0.08 1.40 2.13 -1.26 -0.02 120.64 124.62 2aff n GLU 55 Ca -0.16 1.05 -0.03 0.00 0.66 0.00 0.00 57.16 58.67 2aff n GLU 55 Cb 0.52 -2.52 -0.02 0.00 0.27 0.00 0.00 31.44 29.70 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2aff h GLN 56 N 0.00 -0.22 0.00 5.31 4.20 -2.01 -3.49 115.11 118.90 2aff h GLN 56 Ca 0.68 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.41 2aff h GLN 56 Cb 3.30 0.05 0.00 0.00 0.30 0.00 0.00 27.48 31.12 2aff h GLN 56 CO -0.01 -0.14 0.00 -0.85 -0.67 0.00 0.00 178.83 177.16 2aff n GLU 57 N -2.99 0.00 -4.28 1.46 0.00 0.98 -5.15 120.64 110.66 2aff n GLU 57 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.79 2aff n GLU 57 Cb 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.39 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2aff s ALA 58 N -1.10 2.80 -0.11 -1.84 0.00 -1.26 -0.52 121.76 119.72 2aff s ALA 58 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2aff s ALA 58 Cb 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 2aff s ALA 58 CO 0.00 -0.08 -0.14 0.42 0.00 0.00 0.00 175.76 175.96 2aff s ILE 59 N 0.88 2.95 -0.24 0.00 1.01 -0.20 0.13 121.20 125.73 2aff s ILE 59 Ca -0.02 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 59 Cb -0.15 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2aff s ILE 59 CO 0.01 0.54 0.40 -0.22 0.00 0.00 0.00 174.94 175.67 2aff s LEU 60 N 0.13 4.09 -0.10 2.97 2.96 0.69 -1.17 118.68 128.25 2aff s LEU 60 Ca -0.07 0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 2aff s LEU 60 Cb -0.15 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 2aff s LEU 60 CO 0.05 -0.14 -0.04 -1.00 -1.32 0.00 0.00 176.35 173.90 2aff s HIS 61 N 1.73 3.02 -0.43 5.38 3.76 0.14 -1.82 115.29 127.08 2aff s HIS 61 Ca 0.17 -0.05 -0.17 0.00 -0.15 0.00 0.00 55.06 54.86 2aff s HIS 61 Cb -0.15 -1.82 0.03 0.00 1.11 0.00 0.00 32.58 31.74 2aff s HIS 61 CO 0.09 0.23 0.41 1.21 -0.85 0.00 0.00 174.74 175.83 2aff s ASN 62 N -0.40 6.17 0.00 1.40 3.84 -1.26 -1.69 114.94 123.00 2aff s ASN 62 Ca 0.07 -0.77 0.20 0.00 0.21 0.00 0.00 52.86 52.56 2aff s ASN 62 Cb -0.12 -2.21 -0.21 0.00 -0.55 0.00 0.00 41.25 38.15 2aff s ASN 62 CO 0.02 -0.57 0.86 0.49 -2.79 0.00 0.00 177.10 175.12 2aff n PHE 63 N 5.50 0.00 -2.36 0.43 3.01 0.26 -4.86 117.46 119.44 2aff n PHE 63 Ca -0.08 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.98 2aff n PHE 63 Cb 0.47 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 2aff n PHE 63 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -2.90 5.85 0.03 4.37 0.15 0.04 -4.51 113.70 116.73 2aff s SER 64 Ca 0.08 -0.30 -0.17 0.00 0.70 0.00 0.00 55.95 56.27 2aff s SER 64 Cb 0.15 -2.55 -0.33 0.00 -1.71 0.00 0.00 66.02 61.59 2aff s SER 64 CO 0.82 -2.03 1.02 -1.28 1.20 0.00 0.00 173.24 172.98 2aff h SER 65 N 11.65 0.80 -0.21 5.45 0.87 -1.90 -3.03 113.55 127.18 2aff h SER 65 Ca -0.21 -0.89 -0.02 0.00 -1.23 0.00 0.00 61.79 59.44 2aff h SER 65 Cb 1.08 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2aff h SER 65 CO 1.27 1.62 0.05 0.74 -0.53 0.00 0.00 176.83 179.98 2aff h THR 66 N 0.11 1.21 -2.88 2.23 2.02 -1.98 -3.40 112.91 110.23 2aff h THR 66 Ca -0.21 -0.69 -0.56 0.00 0.77 0.00 0.00 66.41 65.72 2aff h THR 66 Cb 1.99 1.27 -0.40 0.00 -1.74 0.00 0.00 68.15 69.26 2aff h THR 66 CO 0.24 0.22 -0.78 0.20 0.37 0.00 0.00 175.52 175.77 2aff s ASN 67 N -5.74 3.61 0.49 4.18 0.01 -1.25 -5.13 114.94 111.10 2aff s ASN 67 Ca -0.14 -1.61 -0.23 0.00 -0.71 0.00 0.00 52.86 50.18 2aff s ASN 67 Cb 0.07 -0.55 -0.08 0.00 0.41 0.00 0.00 41.25 41.10 2aff s ASN 67 CO 0.72 -0.40 1.19 -2.65 -1.51 0.00 0.00 177.10 174.44 2aff n PRO 68 N 4.85 1.57 -2.45 -0.60 -0.02 -1.14 -4.65 135.00 132.55 2aff n PRO 68 Ca -0.01 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.63 2aff n PRO 68 Cb 0.41 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.30 3.43 -0.07 3.45 2.01 -1.26 -4.87 115.64 117.03 2aff s THR 69 Ca 0.67 1.44 -0.02 0.00 0.31 0.00 0.00 61.69 64.09 2aff s THR 69 Cb -0.48 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 2aff s THR 69 CO 0.54 0.35 0.06 -1.10 -0.69 0.00 0.00 174.62 173.77 2aff s GLN 70 N -1.47 3.11 -0.03 4.92 -0.21 -0.40 -1.82 119.66 123.76 2aff s GLN 70 Ca 0.45 -0.37 0.03 0.00 0.02 0.00 0.00 55.36 55.48 2aff s GLN 70 Cb -0.32 -2.90 0.00 0.00 1.00 0.00 0.00 33.01 30.79 2aff s GLN 70 CO 0.42 0.70 -0.11 0.08 -2.12 0.00 0.00 175.29 174.26 2aff s VAL 71 N -1.02 0.92 -1.26 1.09 1.01 0.27 0.23 120.40 121.65 2aff s VAL 71 Ca 0.17 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 2aff s VAL 71 Cb -0.12 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.49 2aff s VAL 71 CO 0.06 0.28 0.32 0.59 0.00 0.00 0.00 175.10 176.35 2aff n ASN 72 N 3.20 -4.24 -1.35 3.32 3.02 -0.19 0.56 115.26 119.60 2aff n ASN 72 Ca -0.18 -0.15 -0.12 0.00 -0.03 0.00 0.00 54.58 54.11 2aff n ASN 72 Cb 0.54 -3.52 -0.01 0.00 -0.61 0.00 0.00 39.78 36.18 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 -1.09 -0.05 2.90 7.41 0.00 -1.26 -5.01 105.19 108.08 2aff n GLY 73 Ca -0.09 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.48 -0.05 0.26 1.61 1.04 0.19 -5.11 113.70 109.16 2aff s SER 74 Ca 0.00 0.13 -0.30 0.00 0.48 0.00 0.00 55.95 56.27 2aff s SER 74 Cb 0.00 0.10 -0.10 0.00 0.10 0.00 0.00 66.02 66.12 2aff s SER 74 CO 0.00 -0.06 1.40 -0.69 0.98 0.00 0.00 173.24 174.87 2aff s VAL 75 N 0.40 2.72 -0.36 5.02 1.01 -1.26 0.95 120.40 128.88 2aff s VAL 75 Ca -0.03 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2aff s VAL 75 Cb -0.04 -3.40 0.11 0.00 0.00 0.00 0.00 36.38 33.05 2aff s VAL 75 CO -0.01 0.11 0.14 -0.51 0.00 0.00 0.00 175.10 174.82 2aff s ILE 76 N -0.19 1.30 -0.56 2.22 -1.16 -0.76 -4.87 121.20 117.18 2aff s ILE 76 Ca 0.57 -1.95 0.24 0.00 -0.51 0.00 0.00 60.65 59.00 2aff s ILE 76 Cb -0.41 -1.95 0.17 0.00 0.61 0.00 0.00 42.46 40.87 2aff s ILE 76 CO 0.45 -0.74 1.47 -0.78 -2.81 0.00 0.00 174.94 172.53 2aff h ASP 77 N 7.56 0.00 -2.04 4.50 3.58 -1.94 -3.41 116.42 124.67 2aff h ASP 77 Ca -0.08 -0.08 -0.54 0.00 0.42 0.00 0.00 57.03 56.75 2aff h ASP 77 Cb 0.99 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.96 2aff h ASP 77 CO 0.49 0.04 -0.58 -1.61 -2.88 0.00 0.00 179.24 174.70 2aff s GLU 78 N -3.19 2.41 0.43 0.28 2.02 -1.26 -4.76 118.70 114.63 2aff s GLU 78 Ca 0.07 -1.44 -0.26 0.00 0.02 0.00 0.00 54.97 53.36 2aff s GLU 78 Cb 0.11 -2.21 -0.09 0.00 0.10 0.00 0.00 34.13 32.03 2aff s GLU 78 CO 0.69 0.24 1.40 -2.30 0.02 0.00 0.00 175.26 175.30 2aff n PRO 79 N -1.06 2.23 -3.86 0.39 -0.02 -1.26 -4.73 135.00 126.70 2aff n PRO 79 Ca -0.05 0.79 -0.12 0.00 -2.02 0.00 0.00 63.50 62.10 2aff n PRO 79 Cb 0.60 -2.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.37 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 -1.18 -0.01 0.02 -1.45 0.11 -0.76 -4.99 120.40 112.15 2aff s VAL 80 Ca 0.60 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.36 2aff s VAL 80 Cb -0.47 -0.04 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 2aff s VAL 80 CO 0.59 0.01 1.26 -0.60 -3.33 0.00 0.00 175.10 173.02 2aff s ARG 81 N 0.11 4.37 0.21 1.54 3.52 -1.26 -0.22 118.95 127.21 2aff s ARG 81 Ca -0.01 1.81 -0.30 0.00 -0.13 0.00 0.00 55.73 57.10 2aff s ARG 81 Cb -0.01 -3.44 -0.08 0.00 -1.56 0.00 0.00 34.95 29.85 2aff s ARG 81 CO -0.00 -0.39 0.98 -0.51 -0.81 0.00 0.00 175.30 174.57 2aff s LEU 82 N 1.65 4.58 0.09 -0.88 1.43 0.36 -4.89 118.68 121.02 2aff s LEU 82 Ca 0.59 1.97 0.05 0.00 -1.03 0.00 0.00 54.13 55.71 2aff s LEU 82 Cb -0.29 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.29 2aff s LEU 82 CO 0.27 0.02 -0.14 -0.54 0.23 0.00 0.00 176.35 176.19 2aff s LYS 83 N -0.82 0.90 -0.06 1.70 1.02 -1.26 -4.44 119.74 116.77 2aff s LYS 83 Ca 0.44 -1.07 -0.34 0.00 0.02 0.00 0.00 55.97 55.02 2aff s LYS 83 Cb -0.26 -0.84 -0.12 0.00 -0.52 0.00 0.00 37.83 36.09 2aff s LYS 83 CO 0.33 0.18 1.87 1.58 -0.92 0.00 0.00 175.35 178.38 2aff n HIS 84 N 0.97 2.35 0.00 3.18 -0.00 -1.26 -0.34 115.22 120.12 2aff n HIS 84 Ca -0.19 -0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.51 2aff n HIS 84 Cb 0.55 -2.67 0.00 0.00 -0.00 0.00 0.00 29.99 27.87 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 4.34 1.81 3.70 1.57 0.00 -0.58 -4.98 105.19 111.04 2aff n GLY 85 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.70 6.78 -0.18 1.61 2.15 0.54 -4.81 116.67 121.07 2aff s ASP 86 Ca 0.00 2.26 -0.04 0.00 0.43 0.00 0.00 52.55 55.21 2aff s ASP 86 Cb 0.00 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.03 2aff s ASP 86 CO 0.00 -0.74 -0.03 -0.69 -0.17 0.00 0.00 175.17 173.54 2aff s VAL 87 N 2.08 3.80 -0.09 1.11 1.01 -1.26 -2.22 120.40 124.84 2aff s VAL 87 Ca 0.66 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 2aff s VAL 87 Cb -0.35 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 2aff s VAL 87 CO 0.29 0.47 0.41 -0.63 0.00 0.00 0.00 175.10 175.64 2aff s ILE 88 N 0.70 5.16 -0.13 2.22 1.01 -0.91 -1.02 121.20 128.23 2aff s ILE 88 Ca -0.02 0.83 0.01 0.00 0.00 0.00 0.00 60.65 61.47 2aff s ILE 88 Cb -0.14 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.60 2aff s ILE 88 CO 0.02 0.43 -0.16 -0.89 0.00 0.00 0.00 174.94 174.34 2aff s THR 89 N -0.01 1.61 -0.21 2.92 2.01 0.64 -0.55 115.64 122.05 2aff s THR 89 Ca 0.23 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 2aff s THR 89 Cb -0.15 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 2aff s THR 89 CO 0.10 0.46 0.01 -0.63 -0.69 0.00 0.00 174.62 173.88 2aff s ILE 90 N 1.17 4.05 0.00 1.82 1.01 0.78 -1.27 121.20 128.77 2aff s ILE 90 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2aff s ILE 90 Cb -0.14 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.49 2aff s ILE 90 CO -0.06 0.42 0.00 -0.38 0.00 0.00 0.00 174.94 174.92 2aff n ILE 91 N 4.30 0.00 -0.70 2.92 5.41 -1.26 0.29 119.36 130.32 2aff n ILE 91 Ca -0.17 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.65 2aff n ILE 91 Cb 0.52 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.54 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 2.60 2.27 -4.29 4.38 5.75 -1.26 -5.00 116.55 120.99 2aff n ASP 92 Ca 0.00 -2.71 -0.31 0.00 -0.01 0.00 0.00 54.79 51.76 2aff n ASP 92 Cb 0.00 -0.29 -0.16 0.00 -1.03 0.00 0.00 41.12 39.64 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 -2.23 2.29 0.04 0.11 0.52 0.84 -4.72 118.95 115.80 2aff s ARG 93 Ca 0.21 -0.92 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2aff s ARG 93 Cb 0.19 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 2aff s ARG 93 CO 0.02 0.49 -0.06 -1.12 0.02 0.00 0.00 175.30 174.65 2aff s SER 94 N -0.43 0.69 -0.14 0.23 0.01 -1.26 0.27 113.70 113.07 2aff s SER 94 Ca 0.05 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.67 2aff s SER 94 Cb -0.12 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.21 2aff s SER 94 CO 0.01 -0.31 -0.16 -0.36 0.41 0.00 0.00 173.24 172.84 2aff s PHE 95 N -1.97 2.24 -0.04 2.43 0.40 0.28 -2.06 117.98 119.26 2aff s PHE 95 Ca -0.07 -1.22 -0.28 0.00 -0.60 0.00 0.00 56.93 54.76 2aff s PHE 95 Cb -0.06 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 2aff s PHE 95 CO -0.02 -0.64 0.90 1.03 0.70 0.00 0.00 175.22 177.19 2aff s ARG 96 N 1.32 4.50 -0.22 0.44 0.52 -0.84 -2.13 118.95 122.53 2aff s ARG 96 Ca 0.02 1.25 -0.11 0.00 -0.52 0.00 0.00 55.73 56.37 2aff s ARG 96 Cb -0.13 -3.47 -0.05 0.00 0.52 0.00 0.00 34.95 31.81 2aff s ARG 96 CO -0.09 -0.07 0.19 -0.47 0.02 0.00 0.00 175.30 174.89 2aff s TYR 97 N 1.14 3.36 -0.04 -0.53 5.04 -0.94 -1.97 117.35 123.41 2aff s TYR 97 Ca 0.47 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.44 2aff s TYR 97 Cb -0.20 -2.27 0.03 0.00 0.35 0.00 0.00 41.96 39.87 2aff s TYR 97 CO 0.23 0.14 -0.00 -1.21 -1.34 0.00 0.00 175.55 173.37 2aff s GLU 98 N 0.83 0.38 0.00 4.97 2.02 -0.77 -1.53 118.70 124.60 2aff s GLU 98 Ca 0.10 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.17 2aff s GLU 98 Cb -0.13 -0.59 0.00 0.00 0.10 0.00 0.00 34.13 33.51 2aff s GLU 98 CO 0.03 -0.16 0.00 0.27 0.02 0.00 0.00 175.26 175.42 2aff n ASN 99 N 4.33 0.00 0.00 -0.19 0.23 -1.26 -0.59 115.26 117.79 2aff n ASN 99 Ca -0.22 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 53.89 2aff n ASN 99 Cb 0.50 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.60 2aff n ASN 99 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49