#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 2.10 -3.35 3.45 5.66 -1.26 -4.91 114.28 115.97 2aff n THR 4 Ca 0.00 -3.43 -0.39 0.00 -3.05 0.00 0.00 64.05 57.19 2aff n THR 4 Cb 0.00 -0.39 -0.08 0.00 -1.55 0.00 0.00 70.33 68.31 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2aff s ARG 5 N -3.16 4.12 -0.03 1.09 0.52 -1.26 -2.44 118.95 117.79 2aff s ARG 5 Ca 0.42 0.21 0.04 0.00 -0.52 0.00 0.00 55.73 55.88 2aff s ARG 5 Cb 0.38 -3.59 -0.00 0.00 0.52 0.00 0.00 34.95 32.26 2aff s ARG 5 CO -0.03 -0.16 -0.15 1.03 0.02 0.00 0.00 175.30 176.01 2aff s ARG 6 N 1.68 1.39 -0.13 3.54 0.52 0.18 -1.97 118.95 124.16 2aff s ARG 6 Ca 0.19 -0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 2aff s ARG 6 Cb -0.15 -1.27 -0.02 0.00 0.52 0.00 0.00 34.95 34.03 2aff s ARG 6 CO 0.09 0.25 -0.11 -1.17 0.02 0.00 0.00 175.30 174.37 2aff s LEU 7 N -0.07 2.85 -0.14 2.53 2.96 -0.84 -0.67 118.68 125.29 2aff s LEU 7 Ca -0.00 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 2aff s LEU 7 Cb -0.09 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2aff s LEU 7 CO 0.01 0.19 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.49 2aff s VAL 8 N 0.24 3.82 -0.28 1.68 1.01 -0.66 0.47 120.40 126.67 2aff s VAL 8 Ca -0.07 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 2aff s VAL 8 Cb -0.15 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2aff s VAL 8 CO 0.05 0.51 0.59 -0.89 0.00 0.00 0.00 175.10 175.36 2aff s THR 9 N 0.23 4.99 0.22 3.92 2.01 -0.96 -1.76 115.64 124.29 2aff s THR 9 Ca -0.03 0.90 -0.28 0.00 0.31 0.00 0.00 61.69 62.59 2aff s THR 9 Cb -0.14 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.35 2aff s THR 9 CO 0.03 -0.05 0.88 -0.63 -0.69 0.00 0.00 174.62 174.16 2aff s ILE 10 N 2.49 4.20 0.53 1.82 1.01 -1.03 -2.41 121.20 127.82 2aff s ILE 10 Ca 0.24 1.90 -0.09 0.00 0.00 0.00 0.00 60.65 62.70 2aff s ILE 10 Cb -0.15 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2aff s ILE 10 CO 0.10 0.47 0.90 -0.54 0.00 0.00 0.00 174.94 175.87 2aff s LYS 11 N -1.27 3.63 0.38 2.79 -0.14 0.36 -4.58 119.74 120.90 2aff s LYS 11 Ca 0.40 0.51 0.07 0.00 -1.36 0.00 0.00 55.97 55.59 2aff s LYS 11 Cb -0.24 -2.24 0.81 0.00 -1.68 0.00 0.00 37.83 34.48 2aff s LYS 11 CO 0.29 -0.33 1.98 0.00 -0.76 0.00 0.00 175.35 176.52 2aff h ARG 12 N 0.19 0.65 0.00 1.68 3.08 -1.87 0.97 114.38 119.08 2aff h ARG 12 Ca -0.46 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2aff h ARG 12 Cb 1.20 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2aff h ARG 12 CO 0.62 0.43 0.00 0.45 -1.07 0.00 0.00 179.97 180.40 2aff n SER 13 N -4.48 0.00 -0.06 7.04 2.88 -1.26 -4.86 113.62 112.89 2aff n SER 13 Ca 0.09 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2aff n SER 13 Cb 0.23 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 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 0.87 1.31 3.21 0.46 0.00 0.33 -5.10 105.19 106.27 2aff n GLY 14 Ca 0.08 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.11 1.86 0.19 1.61 1.01 -1.23 -4.84 120.40 116.89 2aff s VAL 15 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 2aff s VAL 15 Cb 0.00 -1.60 -0.08 0.00 0.00 0.00 0.00 36.38 34.70 2aff s VAL 15 CO 0.00 0.52 1.02 -1.81 0.00 0.00 0.00 175.10 174.83 2aff s ASP 16 N 0.13 7.43 0.00 3.32 1.01 -1.26 0.14 116.67 127.43 2aff s ASP 16 Ca -0.10 2.00 0.00 0.00 0.71 0.00 0.00 52.55 55.16 2aff s ASP 16 Cb -0.15 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.05 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 175.97 2aff n GLY 17 N 1.85 2.94 3.79 0.21 0.00 -1.01 -4.91 105.19 108.06 2aff n GLY 17 Ca 0.01 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 2.83 3.50 0.22 1.61 0.04 -1.26 -4.79 135.00 137.15 2aff s PRO 18 Ca 0.00 1.35 0.10 0.00 0.04 0.00 0.00 61.00 62.49 2aff s PRO 18 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2aff s PRO 18 CO 0.00 -0.68 -0.15 -3.38 0.04 0.00 0.00 177.00 172.83 2aff s HIS 19 N -2.13 2.47 -0.27 0.56 -3.43 -1.26 -2.25 115.29 108.97 2aff s HIS 19 Ca 0.67 -0.29 0.02 0.00 -0.80 0.00 0.00 55.06 54.66 2aff s HIS 19 Cb -0.18 -1.16 0.07 0.00 -1.43 0.00 0.00 32.58 29.89 2aff s HIS 19 CO 0.28 0.58 -0.03 0.12 -2.00 0.00 0.00 174.74 173.69 2aff s PHE 20 N -1.99 2.77 0.18 0.38 5.36 0.18 -4.96 117.98 119.90 2aff s PHE 20 Ca 0.26 -2.12 -0.30 0.00 -0.96 0.00 0.00 56.93 53.81 2aff s PHE 20 Cb -0.07 -1.93 -0.08 0.00 -0.34 0.00 0.00 43.02 40.60 2aff s PHE 20 CO 0.14 -0.84 1.18 -1.25 -1.46 0.00 0.00 175.22 172.99 2aff s PRO 21 N 1.26 4.51 -0.56 10.12 0.04 -1.26 -1.98 135.00 147.12 2aff s PRO 21 Ca -0.02 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 2aff s PRO 21 Cb -0.19 -3.25 0.36 0.00 0.04 0.00 0.00 34.50 31.46 2aff s PRO 21 CO -0.08 -0.06 2.06 1.28 0.04 0.00 0.00 177.00 180.24 2aff n LEU 22 N 2.49 7.28 0.27 -3.56 4.77 -0.83 -4.53 117.00 122.89 2aff n LEU 22 Ca 0.04 -4.01 0.18 0.00 -0.03 0.00 0.00 56.01 52.19 2aff n LEU 22 Cb 0.45 -1.02 0.92 0.00 -2.33 0.00 0.00 43.42 41.44 2aff n LEU 22 CO 0.55 1.42 1.05 0.77 -1.33 0.00 0.00 177.39 179.85 2aff h SER 23 N 1.93 0.00 -4.06 -1.43 4.64 -1.91 -3.42 113.55 109.30 2aff h SER 23 Ca 0.50 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.35 2aff h SER 23 Cb 0.79 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.90 2aff h SER 23 CO 1.31 0.00 0.38 -0.76 -0.87 0.00 0.00 176.83 176.89 2aff s LEU 24 N -5.68 3.89 0.54 5.97 1.43 -1.26 -4.90 118.68 118.68 2aff s LEU 24 Ca -0.02 1.92 0.27 0.00 -1.03 0.00 0.00 54.13 55.26 2aff s LEU 24 Cb 0.10 -4.51 1.54 0.00 0.03 0.00 0.00 46.19 43.35 2aff s LEU 24 CO 0.39 -0.70 2.13 0.28 0.23 0.00 0.00 176.35 178.68 2aff h SER 25 N 1.72 0.00 -3.75 2.29 0.02 -1.89 -3.43 113.55 108.49 2aff h SER 25 Ca -0.49 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.21 2aff h SER 25 Cb 1.22 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.47 2aff h SER 25 CO 0.60 0.08 -0.73 -0.89 -1.14 0.00 0.00 176.83 174.75 2aff s THR 26 N -4.40 0.08 -0.16 -2.27 2.01 -1.26 -1.50 115.64 108.14 2aff s THR 26 Ca -0.04 -0.03 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 2aff s THR 26 Cb 0.14 -0.08 0.04 0.00 0.01 0.00 0.00 72.50 72.61 2aff s THR 26 CO 0.58 0.02 -0.07 0.00 -0.69 0.00 0.00 174.62 174.47 2aff s LEU 28 N 1.60 2.74 -0.10 0.00 2.96 -1.26 -0.11 118.68 124.51 2aff s LEU 28 Ca 0.02 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2aff s LEU 28 Cb -0.15 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 2aff s LEU 28 CO -0.08 0.15 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.71 2aff s PHE 29 N 0.47 3.08 -5.00 5.38 0.40 0.16 -0.02 117.98 122.45 2aff s PHE 29 Ca -0.09 0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2aff s PHE 29 Cb -0.16 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.55 2aff s PHE 29 CO 0.04 0.30 0.00 0.41 0.70 0.00 0.00 175.22 176.67 2aff n GLY 30 N 2.57 -0.77 0.11 4.36 0.00 -0.93 -2.43 105.19 108.11 2aff n GLY 30 Ca -0.18 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 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 2.78 0.17 -6.42 1.61 3.08 -1.48 -2.90 114.38 111.21 2aff h ARG 31 Ca 0.00 -0.21 -0.60 0.00 0.07 0.00 0.00 59.98 59.24 2aff h ARG 31 Cb 0.00 0.06 0.14 0.00 0.08 0.00 0.00 29.97 30.26 2aff h ARG 31 CO 0.00 0.98 -0.22 0.41 -1.07 0.00 0.00 179.97 180.07 2aff n GLY 32 N 1.00 -1.08 0.28 0.04 0.00 -1.03 -4.86 105.19 99.54 2aff n GLY 32 Ca -0.04 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 1.02 1.26 0.00 -0.61 6.09 -1.90 -1.84 117.51 121.53 2aff h ILE 33 Ca -0.41 -1.05 0.00 0.00 -1.37 0.00 0.00 64.86 62.03 2aff h ILE 33 Cb 1.38 0.81 0.00 0.00 0.47 0.00 0.00 36.82 39.48 2aff h ILE 33 CO 0.53 0.38 0.14 -0.33 -3.07 0.00 0.00 178.15 175.81 2aff h GLU 34 N 0.87 0.00 -6.35 2.19 4.39 -1.96 -3.42 114.58 110.30 2aff h GLU 34 Ca 0.17 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.28 2aff h GLU 34 Cb 0.47 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2aff h GLU 34 CO 0.02 0.00 1.05 0.00 -1.16 0.00 0.00 179.01 178.92 2aff h ASP 36 N 8.59 0.08 -3.16 0.00 3.32 -0.69 -3.36 116.42 121.19 2aff h ASP 36 Ca -0.48 -0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.01 2aff h ASP 36 Cb 1.26 -0.02 -0.36 0.00 0.22 0.00 0.00 39.33 40.43 2aff h ASP 36 CO 0.93 0.06 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.06 2aff s ILE 37 N -5.13 1.30 -0.15 0.35 1.01 -0.35 -4.95 121.20 113.28 2aff s ILE 37 Ca -0.06 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 2aff s ILE 37 Cb 0.18 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 2aff s ILE 37 CO 0.69 0.41 0.09 -0.13 0.00 0.00 0.00 174.94 176.00 2aff s ARG 38 N 1.55 3.65 -0.15 2.79 0.52 -1.26 -2.19 118.95 123.86 2aff s ARG 38 Ca 0.04 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 2aff s ARG 38 Cb -0.13 -3.16 -0.00 0.00 0.52 0.00 0.00 34.95 32.18 2aff s ARG 38 CO -0.09 0.53 -0.15 0.42 0.02 0.00 0.00 175.30 176.03 2aff s ILE 39 N -0.33 2.70 0.00 1.52 1.01 -1.10 -4.95 121.20 120.05 2aff s ILE 39 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2aff s ILE 39 Cb -0.12 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2aff s ILE 39 CO 0.01 0.52 0.80 0.00 0.00 0.00 0.00 174.94 176.27 2aff n GLN 40 N 3.96 0.75 -3.59 2.79 6.02 -1.26 -4.52 117.38 121.52 2aff n GLN 40 Ca -0.19 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.43 2aff n GLN 40 Cb 0.52 -1.12 -0.09 0.00 1.02 0.00 0.00 30.24 30.57 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 4.15 0.00 1.08 1.43 -1.26 -4.96 118.68 119.12 2aff s LEU 41 Ca 0.00 0.26 0.18 0.00 -1.03 0.00 0.00 54.13 53.54 2aff s LEU 41 Cb 0.00 -2.23 0.84 0.00 0.03 0.00 0.00 46.19 44.84 2aff s LEU 41 CO 0.00 0.05 1.58 -0.81 0.23 0.00 0.00 176.35 177.40 2aff n PRO 42 N 4.16 0.11 -0.22 1.29 -0.04 -1.26 -2.24 135.00 136.81 2aff n PRO 42 Ca -0.13 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 2aff n PRO 42 Cb 0.52 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.41 0.63 -3.35 0.52 0.24 -1.26 -4.92 118.33 108.78 2aff n VAL 43 Ca 0.06 -0.82 -0.38 0.00 -2.04 0.00 0.00 64.34 61.16 2aff n VAL 43 Cb 0.19 0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 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 -1.30 4.94 1.02 3.34 1.01 -0.95 -4.98 120.40 123.48 2aff s VAL 44 Ca 0.38 1.05 -0.12 0.00 0.00 0.00 0.00 61.98 63.29 2aff s VAL 44 Cb 0.22 -3.83 0.20 0.00 0.00 0.00 0.00 36.38 32.97 2aff s VAL 44 CO 0.30 0.50 1.09 -0.44 0.00 0.00 0.00 175.10 176.54 2aff s SER 45 N -0.64 2.43 0.16 3.32 0.01 -1.26 -4.57 113.70 113.14 2aff s SER 45 Ca 0.27 1.24 -0.14 0.00 1.31 0.00 0.00 55.95 58.63 2aff s SER 45 Cb -0.18 -1.92 0.04 0.00 0.21 0.00 0.00 66.02 64.17 2aff s SER 45 CO 0.15 -3.26 1.72 0.11 0.41 0.00 0.00 173.24 172.38 2aff h LYS 46 N -1.98 0.74 0.00 12.44 1.57 -1.95 -2.40 116.57 125.00 2aff h LYS 46 Ca -0.55 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.04 2aff h LYS 46 Cb 1.33 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2aff h LYS 46 CO 0.56 0.64 -1.39 1.04 -0.57 0.00 0.00 179.45 179.73 2aff n GLN 47 N -4.58 1.79 0.00 3.15 1.13 -1.26 -2.47 117.38 115.14 2aff n GLN 47 Ca 0.02 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2aff n GLN 47 Cb 0.14 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.32 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 -2.03 0.00 -4.62 1.08 -0.00 -1.21 -3.95 115.22 104.50 2aff n HIS 48 Ca -0.07 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.88 2aff n HIS 48 Cb 0.48 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.20 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 0.07 1.56 -0.10 0.00 2.20 -0.66 0.36 119.74 123.17 2aff s LYS 50 Ca -0.02 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2aff s LYS 50 Cb -0.10 -1.41 -0.02 0.00 -1.51 0.00 0.00 37.83 34.79 2aff s LYS 50 CO 0.01 -0.08 -0.10 0.42 -0.36 0.00 0.00 175.35 175.25 2aff s ILE 51 N 1.02 3.41 -0.12 5.43 1.01 0.84 0.15 121.20 132.93 2aff s ILE 51 Ca -0.08 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.04 2aff s ILE 51 Cb -0.15 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.91 2aff s ILE 51 CO -0.00 0.55 -0.23 -1.61 0.00 0.00 0.00 174.94 173.65 2aff s GLU 52 N -0.18 3.05 -0.24 2.79 0.41 -0.59 -1.28 118.70 122.66 2aff s GLU 52 Ca 0.01 -0.86 -0.07 0.00 -0.41 0.00 0.00 54.97 53.64 2aff s GLU 52 Cb -0.13 -2.38 -0.03 0.00 -1.78 0.00 0.00 34.13 29.81 2aff s GLU 52 CO 0.03 0.09 0.07 0.42 -0.49 0.00 0.00 175.26 175.38 2aff s ILE 53 N 0.56 4.40 0.01 -1.63 1.01 -0.56 -1.46 121.20 123.53 2aff s ILE 53 Ca -0.13 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.44 2aff s ILE 53 Cb -0.17 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2aff s ILE 53 CO 0.04 0.35 -0.20 -1.00 0.00 0.00 0.00 174.94 174.13 2aff s HIS 54 N 1.43 2.51 0.56 3.97 3.76 0.98 -4.87 115.29 123.62 2aff s HIS 54 Ca 0.06 -0.30 0.33 0.00 -0.15 0.00 0.00 55.06 55.00 2aff s HIS 54 Cb -0.15 -1.50 1.12 0.00 1.11 0.00 0.00 32.58 33.17 2aff s HIS 54 CO 0.04 0.16 1.32 0.39 -0.85 0.00 0.00 174.74 175.79 2aff n GLU 55 N 1.94 0.01 0.07 1.40 1.02 -1.26 0.50 120.64 124.32 2aff n GLU 55 Ca -0.16 0.99 -0.03 0.00 -0.02 0.00 0.00 57.16 57.94 2aff n GLU 55 Cb 0.52 -2.41 -0.01 0.00 -0.02 0.00 0.00 31.44 29.51 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2aff h GLN 56 N 0.00 -0.20 0.00 3.49 4.20 -2.01 -3.50 115.11 117.10 2aff h GLN 56 Ca 0.61 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.33 2aff h GLN 56 Cb 3.07 0.04 0.00 0.00 0.30 0.00 0.00 27.48 30.89 2aff h GLN 56 CO -0.01 -0.13 0.00 -1.91 -0.67 0.00 0.00 178.83 176.11 2aff n GLU 57 N -2.86 0.00 -5.17 1.46 4.07 0.18 -5.16 120.64 113.16 2aff n GLU 57 Ca -0.03 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.76 2aff n GLU 57 Cb 0.08 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.29 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 -1.02 2.08 -0.09 4.31 0.00 -1.26 -0.02 121.76 125.76 2aff s ALA 58 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.07 2aff s ALA 58 Cb 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 2aff s ALA 58 CO 0.00 0.30 -0.23 0.42 0.00 0.00 0.00 175.76 176.25 2aff s ILE 59 N 0.26 1.98 -0.20 0.00 1.01 -0.53 0.31 121.20 124.02 2aff s ILE 59 Ca -0.15 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.36 2aff s ILE 59 Cb -0.17 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 2aff s ILE 59 CO 0.07 0.54 0.39 -0.22 0.00 0.00 0.00 174.94 175.73 2aff s LEU 60 N 0.25 4.15 -0.08 2.97 2.96 0.60 -1.53 118.68 128.00 2aff s LEU 60 Ca -0.15 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 2aff s LEU 60 Cb -0.17 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 2aff s LEU 60 CO 0.07 -0.08 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.95 2aff s HIS 61 N 1.32 2.90 -0.42 5.38 3.76 0.12 -1.25 115.29 127.09 2aff s HIS 61 Ca 0.19 -0.09 -0.14 0.00 -0.15 0.00 0.00 55.06 54.87 2aff s HIS 61 Cb -0.15 -1.73 0.05 0.00 1.11 0.00 0.00 32.58 31.86 2aff s HIS 61 CO 0.08 0.23 0.31 1.21 -0.85 0.00 0.00 174.74 175.72 2aff s ASN 62 N -0.59 5.99 0.00 1.40 3.84 -1.26 -1.65 114.94 122.67 2aff s ASN 62 Ca 0.09 -1.14 0.21 0.00 0.21 0.00 0.00 52.86 52.24 2aff s ASN 62 Cb -0.12 -2.12 -0.18 0.00 -0.55 0.00 0.00 41.25 38.29 2aff s ASN 62 CO 0.02 -0.51 0.94 0.49 -2.79 0.00 0.00 177.10 175.24 2aff n PHE 63 N 5.11 0.00 -2.61 0.43 3.01 -0.25 -4.83 117.46 118.32 2aff n PHE 63 Ca -0.12 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.93 2aff n PHE 63 Cb 0.45 -0.02 -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 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -2.99 6.16 0.03 4.37 0.15 -0.31 -4.61 113.70 116.51 2aff s SER 64 Ca 0.08 -0.56 -0.05 0.00 0.70 0.00 0.00 55.95 56.13 2aff s SER 64 Cb 0.16 -2.53 -0.29 0.00 -1.71 0.00 0.00 66.02 61.65 2aff s SER 64 CO 0.85 -1.76 0.97 0.77 1.20 0.00 0.00 173.24 175.27 2aff h SER 65 N 9.94 0.45 -0.16 5.45 4.64 -1.91 -2.98 113.55 128.98 2aff h SER 65 Ca -0.28 -0.55 -0.00 0.00 -0.47 0.00 0.00 61.79 60.49 2aff h SER 65 Cb 1.05 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 2aff h SER 65 CO 1.26 1.44 0.09 0.74 -0.87 0.00 0.00 176.83 179.49 2aff h THR 66 N 0.08 1.10 -2.82 2.95 2.02 -2.01 -3.39 112.91 110.83 2aff h THR 66 Ca -0.21 -0.28 -0.53 0.00 0.77 0.00 0.00 66.41 66.16 2aff h THR 66 Cb 2.02 0.99 -0.40 0.00 -1.74 0.00 0.00 68.15 69.02 2aff h THR 66 CO 0.19 0.10 -0.78 0.20 0.37 0.00 0.00 175.52 175.60 2aff s ASN 67 N -5.45 3.49 0.60 4.18 0.01 -1.25 -5.14 114.94 111.37 2aff s ASN 67 Ca -0.13 -1.26 -0.18 0.00 -0.71 0.00 0.00 52.86 50.57 2aff s ASN 67 Cb 0.07 -0.37 -0.03 0.00 0.41 0.00 0.00 41.25 41.34 2aff s ASN 67 CO 0.69 -0.43 1.17 -2.16 -1.51 0.00 0.00 177.10 174.86 2aff s PRO 68 N 2.08 2.96 0.42 -0.60 0.04 -1.13 -4.71 135.00 134.06 2aff s PRO 68 Ca 0.09 1.69 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 2aff s PRO 68 Cb -0.16 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 2aff s PRO 68 CO -0.35 -1.18 1.22 0.99 0.04 0.00 0.00 177.00 177.72 2aff s THR 69 N -1.80 2.92 -0.09 1.26 2.01 -1.26 -4.82 115.64 113.86 2aff s THR 69 Ca 0.74 0.77 -0.04 0.00 0.31 0.00 0.00 61.69 63.48 2aff s THR 69 Cb -0.27 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2aff s THR 69 CO 0.34 0.07 0.07 -1.10 -0.69 0.00 0.00 174.62 173.31 2aff s GLN 70 N -2.36 3.18 -0.03 4.92 -0.21 -0.70 -1.60 119.66 122.87 2aff s GLN 70 Ca 0.59 -0.30 0.03 0.00 0.02 0.00 0.00 55.36 55.70 2aff s GLN 70 Cb -0.33 -2.97 -0.00 0.00 1.00 0.00 0.00 33.01 30.71 2aff s GLN 70 CO 0.42 0.73 -0.13 0.54 -2.12 0.00 0.00 175.29 174.73 2aff s VAL 71 N -0.98 1.09 -1.21 1.09 0.11 0.55 0.15 120.40 121.20 2aff s VAL 71 Ca 0.15 -0.53 -0.07 0.00 -2.93 0.00 0.00 61.98 58.60 2aff s VAL 71 Cb -0.12 -0.95 0.06 0.00 -1.53 0.00 0.00 36.38 33.84 2aff s VAL 71 CO 0.04 0.32 0.39 0.59 -3.33 0.00 0.00 175.10 173.11 2aff n ASN 72 N 3.19 -3.72 -1.01 3.54 3.02 0.77 0.13 115.26 121.18 2aff n ASN 72 Ca -0.18 -0.25 -0.09 0.00 -0.03 0.00 0.00 54.58 54.02 2aff n ASN 72 Cb 0.54 -3.10 -0.01 0.00 -0.61 0.00 0.00 39.78 36.60 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 0.18 2.87 7.41 0.00 -1.26 -5.03 105.19 108.28 2aff n GLY 73 Ca -0.04 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.63 0.06 0.24 1.61 0.01 0.34 -5.11 113.70 108.21 2aff s SER 74 Ca 0.00 -0.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.95 2aff s SER 74 Cb 0.00 -0.01 -0.09 0.00 0.21 0.00 0.00 66.02 66.13 2aff s SER 74 CO 0.00 0.00 1.32 -0.69 0.41 0.00 0.00 173.24 174.28 2aff s VAL 75 N 0.02 3.03 -0.57 3.43 1.01 -1.26 0.21 120.40 126.26 2aff s VAL 75 Ca -0.00 0.89 -0.10 0.00 0.00 0.00 0.00 61.98 62.77 2aff s VAL 75 Cb -0.01 -3.57 0.15 0.00 0.00 0.00 0.00 36.38 32.95 2aff s VAL 75 CO -0.00 0.15 0.46 -0.51 0.00 0.00 0.00 175.10 175.21 2aff s ILE 76 N -0.23 4.54 0.30 2.22 2.07 -0.62 -4.86 121.20 124.62 2aff s ILE 76 Ca 0.55 -2.07 0.02 0.00 -1.41 0.00 0.00 60.65 57.74 2aff s ILE 76 Cb -0.38 -3.93 0.14 0.00 0.13 0.00 0.00 42.46 38.42 2aff s ILE 76 CO 0.42 -0.86 1.82 -0.78 -1.91 0.00 0.00 174.94 173.64 2aff h ASP 77 N 8.16 0.61 -4.13 4.50 3.58 -1.94 -3.43 116.42 123.77 2aff h ASP 77 Ca -0.13 -0.13 -0.50 0.00 0.42 0.00 0.00 57.03 56.69 2aff h ASP 77 Cb 1.05 -0.16 -0.13 0.00 1.72 0.00 0.00 39.33 41.81 2aff h ASP 77 CO 0.84 0.68 -0.52 -1.61 -2.88 0.00 0.00 179.24 175.75 2aff s GLU 78 N -4.97 1.80 0.39 0.28 2.02 -1.26 -4.94 118.70 112.02 2aff s GLU 78 Ca -0.08 -2.07 -0.26 0.00 0.02 0.00 0.00 54.97 52.57 2aff s GLU 78 Cb 0.15 -0.29 -0.11 0.00 0.10 0.00 0.00 34.13 33.99 2aff s GLU 78 CO 0.79 -0.50 1.27 -2.30 0.02 0.00 0.00 175.26 174.53 2aff n PRO 79 N -0.76 1.98 -4.24 0.39 -0.02 -1.26 -4.75 135.00 126.34 2aff n PRO 79 Ca -0.01 0.70 -0.17 0.00 -2.02 0.00 0.00 63.50 62.00 2aff n PRO 79 Cb 0.64 -2.35 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 2aff n PRO 79 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aff s VAL 80 N -1.17 0.57 -0.09 -1.45 1.01 -0.38 -4.97 120.40 113.93 2aff s VAL 80 Ca 0.59 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2aff s VAL 80 Cb -0.53 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2aff s VAL 80 CO 0.59 0.09 1.29 -0.60 0.00 0.00 0.00 175.10 176.48 2aff s ARG 81 N -0.35 4.28 0.28 2.72 3.52 -1.26 -0.29 118.95 127.86 2aff s ARG 81 Ca 0.01 1.75 -0.29 0.00 -0.13 0.00 0.00 55.73 57.07 2aff s ARG 81 Cb -0.04 -3.67 -0.09 0.00 -1.56 0.00 0.00 34.95 29.59 2aff s ARG 81 CO -0.00 -0.60 1.08 -0.51 -0.81 0.00 0.00 175.30 174.46 2aff s LEU 82 N 2.87 4.53 0.04 -0.88 1.43 0.15 -4.92 118.68 121.90 2aff s LEU 82 Ca 0.58 2.22 0.04 0.00 -1.03 0.00 0.00 54.13 55.93 2aff s LEU 82 Cb -0.25 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 2aff s LEU 82 CO 0.20 -0.13 -0.11 -0.54 0.23 0.00 0.00 176.35 176.00 2aff s LYS 83 N -1.49 0.69 -0.25 1.70 1.02 -1.26 -4.54 119.74 115.60 2aff s LYS 83 Ca 0.45 -0.74 -0.35 0.00 0.02 0.00 0.00 55.97 55.35 2aff s LYS 83 Cb -0.31 -0.60 -0.11 0.00 -0.52 0.00 0.00 37.83 36.29 2aff s LYS 83 CO 0.39 0.14 2.04 1.58 -0.92 0.00 0.00 175.35 178.58 2aff n HIS 84 N 1.71 1.92 0.00 3.18 -0.00 -1.26 -0.14 115.22 120.63 2aff n HIS 84 Ca -0.20 0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2aff n HIS 84 Cb 0.55 -2.58 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 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 5.51 1.77 3.72 1.57 0.00 -0.77 -4.99 105.19 111.99 2aff n GLY 85 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.86 6.85 -0.15 1.61 1.01 0.80 -4.80 116.67 120.13 2aff s ASP 86 Ca 0.00 2.34 -0.03 0.00 0.71 0.00 0.00 52.55 55.57 2aff s ASP 86 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 2aff s ASP 86 CO 0.00 -0.61 -0.06 -0.69 0.21 0.00 0.00 175.17 174.02 2aff s VAL 87 N 0.80 3.64 -0.16 -1.27 1.01 -1.26 -1.58 120.40 121.59 2aff s VAL 87 Ca 0.62 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 2aff s VAL 87 Cb -0.36 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2aff s VAL 87 CO 0.33 0.50 0.10 -0.63 0.00 0.00 0.00 175.10 175.39 2aff s ILE 88 N 0.42 5.16 -0.15 2.22 1.01 -0.67 -0.16 121.20 129.02 2aff s ILE 88 Ca -0.06 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.70 2aff s ILE 88 Cb -0.15 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.04 2aff s ILE 88 CO 0.03 0.52 -0.19 -0.89 0.00 0.00 0.00 174.94 174.41 2aff s THR 89 N -0.17 1.88 -0.16 2.92 2.01 0.40 -0.21 115.64 122.31 2aff s THR 89 Ca 0.09 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 2aff s THR 89 Cb -0.12 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 2aff s THR 89 CO 0.01 0.51 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.76 2aff s ILE 90 N 1.19 3.68 0.00 1.82 1.01 0.90 -1.72 121.20 128.07 2aff s ILE 90 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2aff s ILE 90 Cb -0.14 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2aff s ILE 90 CO -0.08 0.49 0.00 -0.38 0.00 0.00 0.00 174.94 174.97 2aff n ILE 91 N 3.65 0.00 0.00 2.92 5.41 -1.26 0.40 119.36 130.49 2aff n ILE 91 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2aff n ILE 91 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 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 0.00 0.00 -4.23 4.38 2.03 -1.26 -5.01 116.55 112.46 2aff n ASP 92 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 2aff n ASP 92 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 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 -0.34 1.90 0.05 -0.67 1.81 1.34 -4.82 118.95 118.22 2aff s ARG 93 Ca 0.00 -0.78 0.03 0.00 -1.72 0.00 0.00 55.73 53.25 2aff s ARG 93 Cb 0.00 -1.77 -0.03 0.00 -0.45 0.00 0.00 34.95 32.70 2aff s ARG 93 CO 0.00 0.43 -0.09 -1.12 -0.68 0.00 0.00 175.30 173.84 2aff s SER 94 N -0.40 1.03 -0.12 0.23 0.01 -1.26 0.31 113.70 113.49 2aff s SER 94 Ca 0.05 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2aff s SER 94 Cb -0.10 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.17 2aff s SER 94 CO 0.00 -0.18 -0.11 -0.36 0.41 0.00 0.00 173.24 173.01 2aff s PHE 95 N -1.36 1.73 0.02 2.43 0.40 0.70 -2.45 117.98 119.46 2aff s PHE 95 Ca -0.08 -0.88 -0.25 0.00 -0.60 0.00 0.00 56.93 55.11 2aff s PHE 95 Cb -0.10 -1.35 -0.05 0.00 0.51 0.00 0.00 43.02 42.03 2aff s PHE 95 CO 0.01 -0.54 0.77 0.50 0.70 0.00 0.00 175.22 176.66 2aff s ARG 96 N 1.49 4.49 -0.25 0.44 3.52 -0.72 -1.67 118.95 126.24 2aff s ARG 96 Ca 0.02 1.05 -0.16 0.00 -0.13 0.00 0.00 55.73 56.52 2aff s ARG 96 Cb -0.13 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 2aff s ARG 96 CO -0.07 0.23 0.42 -0.47 -0.81 0.00 0.00 175.30 174.60 2aff s TYR 97 N 0.15 3.28 -0.11 5.12 5.04 -0.61 -1.65 117.35 128.57 2aff s TYR 97 Ca 0.39 0.53 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 2aff s TYR 97 Cb -0.20 -2.61 0.02 0.00 0.35 0.00 0.00 41.96 39.52 2aff s TYR 97 CO 0.22 -0.19 -0.11 -2.00 -1.34 0.00 0.00 175.55 172.13 2aff s GLU 98 N 1.95 1.85 -0.04 4.97 2.12 0.15 -1.85 118.70 127.85 2aff s GLU 98 Ca 0.18 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.12 2aff s GLU 98 Cb -0.15 -1.71 0.02 0.00 0.26 0.00 0.00 34.13 32.55 2aff s GLU 98 CO 0.09 -0.16 -0.04 0.54 -0.54 0.00 0.00 175.26 175.15 2aff s ASN 99 N 1.31 0.89 0.00 -1.70 4.22 -1.26 0.50 114.94 118.90 2aff s ASN 99 Ca -0.01 -0.12 0.04 0.00 -2.14 0.00 0.00 52.86 50.62 2aff s ASN 99 Cb -0.14 -0.43 0.23 0.00 1.28 0.00 0.00 41.25 42.19 2aff s ASN 99 CO -0.05 -0.05 0.70 1.21 -2.04 0.00 0.00 177.10 176.88