#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 0.20 -3.30 3.45 -2.24 -1.26 -5.00 114.28 106.13 2aff n THR 4 Ca 0.00 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.29 2aff n THR 4 Cb 0.00 -0.77 -0.08 0.00 -2.10 0.00 0.00 70.33 67.38 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 -2.07 4.09 -0.05 -0.78 0.52 -1.26 -3.97 118.95 115.44 2aff s ARG 5 Ca -0.03 0.25 0.02 0.00 -0.52 0.00 0.00 55.73 55.45 2aff s ARG 5 Cb 0.01 -3.62 0.01 0.00 0.52 0.00 0.00 34.95 31.87 2aff s ARG 5 CO 0.10 -0.25 -0.11 0.50 0.02 0.00 0.00 175.30 175.57 2aff s ARG 6 N 1.97 1.38 -0.11 3.54 3.52 -0.43 -2.08 118.95 126.73 2aff s ARG 6 Ca 0.20 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 2aff s ARG 6 Cb -0.15 -1.20 -0.02 0.00 -1.56 0.00 0.00 34.95 32.01 2aff s ARG 6 CO 0.09 0.06 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.36 2aff s LEU 7 N 0.51 2.86 -0.13 -0.88 2.96 -0.78 -1.12 118.68 122.11 2aff s LEU 7 Ca -0.10 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 2aff s LEU 7 Cb -0.13 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 2aff s LEU 7 CO 0.02 0.23 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.53 2aff s VAL 8 N -0.02 3.66 -0.36 1.68 1.01 -0.93 0.63 120.40 126.08 2aff s VAL 8 Ca -0.02 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 2aff s VAL 8 Cb -0.14 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2aff s VAL 8 CO 0.04 0.52 0.54 -0.89 0.00 0.00 0.00 175.10 175.31 2aff s THR 9 N 0.12 4.99 0.30 3.92 2.01 -0.98 -2.24 115.64 123.75 2aff s THR 9 Ca -0.02 0.34 -0.20 0.00 0.31 0.00 0.00 61.69 62.11 2aff s THR 9 Cb -0.14 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 2aff s THR 9 CO 0.03 -0.26 0.80 -0.63 -0.69 0.00 0.00 174.62 173.87 2aff s ILE 10 N 2.46 4.50 0.40 1.82 1.01 -0.89 -2.44 121.20 128.05 2aff s ILE 10 Ca 0.20 1.34 -0.04 0.00 0.00 0.00 0.00 60.65 62.15 2aff s ILE 10 Cb -0.15 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2aff s ILE 10 CO 0.14 0.02 0.66 -0.54 0.00 0.00 0.00 174.94 175.22 2aff s LYS 11 N -2.41 3.55 0.59 2.79 1.02 0.25 -4.38 119.74 121.16 2aff s LYS 11 Ca 0.50 -0.00 0.29 0.00 0.02 0.00 0.00 55.97 56.78 2aff s LYS 11 Cb -0.14 -2.52 1.69 0.00 -0.52 0.00 0.00 37.83 36.34 2aff s LYS 11 CO 0.20 -0.00 2.14 0.00 -0.92 0.00 0.00 175.35 176.76 2aff h ARG 12 N 0.72 0.00 0.00 1.68 3.08 -1.89 0.53 114.38 118.49 2aff h ARG 12 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2aff h ARG 12 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2aff h ARG 12 CO 0.62 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.39 2aff n SER 13 N -3.82 0.12 -0.11 7.04 3.41 -1.26 -4.90 113.62 114.09 2aff n SER 13 Ca 0.00 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2aff n SER 13 Cb 0.26 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 1.46 1.11 3.24 5.00 0.00 0.18 -5.09 105.19 111.11 2aff n GLY 14 Ca 0.07 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.22 1.95 -0.08 1.61 1.01 -1.24 -4.85 120.40 116.58 2aff s VAL 15 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 2aff s VAL 15 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2aff s VAL 15 CO 0.00 0.54 1.28 -0.62 0.00 0.00 0.00 175.10 176.30 2aff s ASP 16 N -0.13 6.96 0.00 3.32 -1.08 -1.26 -0.58 116.67 123.90 2aff s ASP 16 Ca -0.04 1.86 0.00 0.00 -0.52 0.00 0.00 52.55 53.85 2aff s ASP 16 Cb -0.13 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2aff s ASP 16 CO 0.03 -0.68 0.00 0.61 0.52 0.00 0.00 175.17 175.66 2aff n GLY 17 N 3.53 1.68 3.80 2.66 0.00 -1.02 -4.97 105.19 110.87 2aff n GLY 17 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 3.00 3.92 0.21 1.61 0.04 -1.26 -4.82 135.00 137.70 2aff s PRO 18 Ca 0.00 1.31 0.08 0.00 0.04 0.00 0.00 61.00 62.43 2aff s PRO 18 Cb 0.00 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2aff s PRO 18 CO 0.00 -0.32 -0.00 -3.38 0.04 0.00 0.00 177.00 173.34 2aff s HIS 19 N -2.01 2.78 -0.32 0.56 -3.43 -1.26 -2.31 115.29 109.30 2aff s HIS 19 Ca 0.66 -0.18 0.03 0.00 -0.80 0.00 0.00 55.06 54.77 2aff s HIS 19 Cb -0.15 -1.31 0.09 0.00 -1.43 0.00 0.00 32.58 29.79 2aff s HIS 19 CO 0.19 0.55 0.03 0.12 -2.00 0.00 0.00 174.74 173.62 2aff s PHE 20 N -1.94 3.37 0.06 0.38 5.36 0.21 -4.95 117.98 120.47 2aff s PHE 20 Ca 0.29 -2.69 -0.31 0.00 -0.96 0.00 0.00 56.93 53.26 2aff s PHE 20 Cb -0.08 -2.57 -0.06 0.00 -0.34 0.00 0.00 43.02 39.97 2aff s PHE 20 CO 0.19 -0.92 1.22 -1.25 -1.46 0.00 0.00 175.22 173.00 2aff s PRO 21 N 1.04 4.41 -0.48 10.12 0.04 -1.26 -1.86 135.00 147.02 2aff s PRO 21 Ca 0.07 1.80 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 2aff s PRO 21 Cb -0.19 -3.36 -0.16 0.00 0.04 0.00 0.00 34.50 30.83 2aff s PRO 21 CO -0.10 -0.29 3.30 1.28 0.04 0.00 0.00 177.00 181.23 2aff n LEU 22 N 4.04 6.32 0.25 -3.56 4.77 -0.89 -4.51 117.00 123.43 2aff n LEU 22 Ca 0.09 -3.65 0.17 0.00 -0.03 0.00 0.00 56.01 52.59 2aff n LEU 22 Cb 0.46 -1.42 0.85 0.00 -2.33 0.00 0.00 43.42 40.98 2aff n LEU 22 CO 0.56 1.80 1.00 0.77 -1.33 0.00 0.00 177.39 180.20 2aff h SER 23 N 3.51 0.00 -3.24 -1.43 4.64 -1.91 -3.42 113.55 111.70 2aff h SER 23 Ca 0.39 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.14 2aff h SER 23 Cb 1.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 2aff h SER 23 CO 0.72 0.00 -0.08 -0.76 -0.87 0.00 0.00 176.83 175.84 2aff s LEU 24 N -5.42 4.44 0.60 5.97 1.43 -1.26 -4.96 118.68 119.47 2aff s LEU 24 Ca -0.02 1.13 0.38 0.00 -1.03 0.00 0.00 54.13 54.59 2aff s LEU 24 Cb 0.10 -3.01 1.81 0.00 0.03 0.00 0.00 46.19 45.11 2aff s LEU 24 CO 0.36 0.21 2.15 0.28 0.23 0.00 0.00 176.35 179.57 2aff h SER 25 N 4.13 0.00 -3.57 2.29 0.02 -1.92 -3.42 113.55 111.08 2aff h SER 25 Ca -0.49 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 59.98 2aff h SER 25 Cb 1.21 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.42 2aff h SER 25 CO 0.64 0.00 -0.80 -0.89 -1.14 0.00 0.00 176.83 174.64 2aff s THR 26 N -3.87 0.96 -0.18 -2.27 2.01 -1.26 -1.01 115.64 110.03 2aff s THR 26 Ca -0.01 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.59 2aff s THR 26 Cb 0.11 -0.88 0.04 0.00 0.01 0.00 0.00 72.50 71.77 2aff s THR 26 CO 0.49 0.31 -0.11 0.00 -0.69 0.00 0.00 174.62 174.62 2aff s LEU 28 N 1.45 2.67 -0.04 0.00 2.96 -1.26 -0.67 118.68 123.78 2aff s LEU 28 Ca 0.01 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2aff s LEU 28 Cb -0.15 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2aff s LEU 28 CO -0.09 0.08 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.65 2aff s PHE 29 N 0.85 3.07 -4.03 5.38 0.40 0.95 0.29 117.98 124.88 2aff s PHE 29 Ca -0.04 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 2aff s PHE 29 Cb -0.15 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.66 2aff s PHE 29 CO 0.00 0.44 0.00 0.41 0.70 0.00 0.00 175.22 176.77 2aff n GLY 30 N 1.82 -1.02 0.09 4.36 0.00 -0.69 -2.42 105.19 107.34 2aff n GLY 30 Ca -0.17 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 2aff n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2aff n ARG 31 N 0.00 0.65 -1.07 1.61 0.63 0.29 -2.24 116.66 116.52 2aff n ARG 31 Ca 0.00 0.26 -0.33 0.00 -0.92 0.00 0.00 57.85 56.86 2aff n ARG 31 Cb 0.00 -1.75 0.13 0.00 0.45 0.00 0.00 32.46 31.29 2aff n ARG 31 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2aff s GLY 32 N -5.21 2.08 0.16 5.14 0.00 -1.08 -4.75 107.32 103.67 2aff s GLY 32 Ca -0.07 0.79 -0.09 0.00 0.00 0.00 0.00 44.72 45.35 2aff s GLY 32 CO 0.82 1.21 1.53 1.19 0.00 0.00 0.00 173.10 177.84 2aff h ILE 33 N -1.03 1.27 -0.26 0.90 6.09 -1.92 -2.52 117.51 120.04 2aff h ILE 33 Ca -0.46 -1.49 0.08 0.00 -1.37 0.00 0.00 64.86 61.62 2aff h ILE 33 Cb 1.29 1.30 -0.01 0.00 0.47 0.00 0.00 36.82 39.87 2aff h ILE 33 CO 0.46 0.50 0.44 -0.33 -3.07 0.00 0.00 178.15 176.14 2aff h GLU 34 N 0.76 0.00 -6.31 2.19 5.08 -1.93 -3.40 114.58 110.97 2aff h GLU 34 Ca 0.08 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.90 2aff h GLU 34 Cb 0.89 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.16 2aff h GLU 34 CO 0.08 0.00 1.24 0.00 -1.00 0.00 0.00 179.01 179.33 2aff h ASP 36 N 10.95 0.00 -3.69 0.00 3.32 0.40 -3.31 116.42 124.09 2aff h ASP 36 Ca -0.47 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 55.95 2aff h ASP 36 Cb 1.23 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.40 2aff h ASP 36 CO 0.95 0.00 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.05 2aff s ILE 37 N -4.60 1.77 -0.16 0.35 -1.09 0.36 -4.93 121.20 112.91 2aff s ILE 37 Ca -0.05 -1.47 -0.08 0.00 -2.23 0.00 0.00 60.65 56.82 2aff s ILE 37 Cb 0.15 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.96 2aff s ILE 37 CO 0.53 -0.15 0.13 -0.13 -1.23 0.00 0.00 174.94 174.09 2aff s ARG 38 N 1.26 3.79 -0.07 2.79 0.52 -1.25 -1.71 118.95 124.28 2aff s ARG 38 Ca -0.04 -0.19 0.04 0.00 -0.52 0.00 0.00 55.73 55.02 2aff s ARG 38 Cb -0.19 -3.28 -0.00 0.00 0.52 0.00 0.00 34.95 31.99 2aff s ARG 38 CO -0.07 0.54 -0.22 0.42 0.02 0.00 0.00 175.30 176.00 2aff s ILE 39 N -0.34 1.84 -1.66 1.52 1.01 -0.95 -4.99 121.20 117.63 2aff s ILE 39 Ca 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2aff s ILE 39 Cb -0.12 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.77 2aff s ILE 39 CO 0.01 0.51 0.37 0.00 0.00 0.00 0.00 174.94 175.83 2aff n GLN 40 N 3.32 0.44 -3.37 2.79 6.02 -1.26 -4.67 117.38 120.65 2aff n GLN 40 Ca -0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.42 2aff n GLN 40 Cb 0.53 -1.07 -0.07 0.00 1.02 0.00 0.00 30.24 30.64 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 -0.66 4.15 0.00 1.08 1.43 -1.26 -4.94 118.68 118.48 2aff s LEU 41 Ca 0.00 0.52 0.20 0.00 -1.03 0.00 0.00 54.13 53.82 2aff s LEU 41 Cb 0.00 -2.53 0.91 0.00 0.03 0.00 0.00 46.19 44.60 2aff s LEU 41 CO 0.00 -0.09 1.65 -0.81 0.23 0.00 0.00 176.35 177.33 2aff n PRO 42 N 4.55 0.07 0.00 1.29 -0.04 -1.26 -2.22 135.00 137.39 2aff n PRO 42 Ca -0.08 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 63.66 2aff n PRO 42 Cb 0.51 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.98 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 -1.45 0.00 -3.37 0.52 0.24 -1.26 -4.86 118.33 108.15 2aff n VAL 43 Ca 0.06 -0.25 -0.38 0.00 -2.04 0.00 0.00 64.34 61.72 2aff n VAL 43 Cb 0.22 0.53 -0.06 0.00 -1.47 0.00 0.00 33.84 33.06 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 -2.01 4.88 0.83 3.34 0.11 -0.94 -4.86 120.40 121.76 2aff s VAL 44 Ca 0.37 1.05 -0.11 0.00 -2.93 0.00 0.00 61.98 60.37 2aff s VAL 44 Cb 0.21 -3.82 0.09 0.00 -1.53 0.00 0.00 36.38 31.33 2aff s VAL 44 CO 0.34 0.55 1.09 -0.55 -3.33 0.00 0.00 175.10 173.20 2aff s SER 45 N -0.98 3.97 0.20 3.54 0.15 -1.26 -4.40 113.70 114.91 2aff s SER 45 Ca 0.27 1.73 -0.11 0.00 0.70 0.00 0.00 55.95 58.55 2aff s SER 45 Cb -0.18 -2.40 0.13 0.00 -1.71 0.00 0.00 66.02 61.86 2aff s SER 45 CO 0.16 -2.36 1.83 0.11 1.20 0.00 0.00 173.24 174.18 2aff h LYS 46 N -1.36 0.98 0.00 5.44 1.57 -1.92 0.83 116.57 122.11 2aff h LYS 46 Ca -0.46 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2aff h LYS 46 Cb 1.25 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2aff h LYS 46 CO 0.52 0.71 -0.47 1.04 -0.57 0.00 0.00 179.45 180.68 2aff n GLN 47 N -4.51 4.12 0.00 3.15 6.02 -1.26 -2.63 117.38 122.27 2aff n GLN 47 Ca 0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2aff n GLN 47 Cb 0.07 -0.82 0.00 0.00 1.02 0.00 0.00 30.24 30.51 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 -1.25 0.00 -4.18 1.08 -0.00 -1.05 -3.96 115.22 105.85 2aff n HIS 48 Ca 0.00 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.02 2aff n HIS 48 Cb 0.09 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.82 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 -0.21 1.59 -0.13 0.00 2.20 -0.36 -0.04 119.74 122.80 2aff s LYS 50 Ca 0.02 -0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.22 2aff s LYS 50 Cb -0.03 -1.34 -0.02 0.00 -1.51 0.00 0.00 37.83 34.94 2aff s LYS 50 CO -0.00 0.04 -0.09 0.42 -0.36 0.00 0.00 175.35 175.36 2aff s ILE 51 N 0.61 3.43 -0.18 5.43 1.01 0.15 0.33 121.20 131.99 2aff s ILE 51 Ca -0.13 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 2aff s ILE 51 Cb -0.15 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 2aff s ILE 51 CO 0.03 0.53 -0.09 -1.61 0.00 0.00 0.00 174.94 173.80 2aff s GLU 52 N 0.13 3.36 -0.44 2.79 2.02 -0.14 -2.32 118.70 124.10 2aff s GLU 52 Ca -0.04 -0.66 -0.16 0.00 0.02 0.00 0.00 54.97 54.13 2aff s GLU 52 Cb -0.14 -2.81 0.04 0.00 0.10 0.00 0.00 34.13 31.31 2aff s GLU 52 CO 0.04 -0.01 0.36 0.42 0.02 0.00 0.00 175.26 176.09 2aff s ILE 53 N 0.94 5.22 -0.14 -1.63 -1.09 -0.18 -1.63 121.20 122.70 2aff s ILE 53 Ca -0.01 -0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 57.60 2aff s ILE 53 Cb -0.15 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.68 2aff s ILE 53 CO -0.00 -0.43 0.01 -1.00 -1.23 0.00 0.00 174.94 172.28 2aff s HIS 54 N 1.75 3.15 0.53 3.97 3.76 0.10 -4.93 115.29 123.62 2aff s HIS 54 Ca 0.06 -0.01 0.44 0.00 -0.15 0.00 0.00 55.06 55.39 2aff s HIS 54 Cb -0.21 -1.94 1.64 0.00 1.11 0.00 0.00 32.58 33.18 2aff s HIS 54 CO 0.09 0.20 1.64 0.93 -0.85 0.00 0.00 174.74 176.75 2aff h GLU 55 N 6.19 0.02 0.07 1.40 5.08 -2.01 0.16 114.58 125.49 2aff h GLU 55 Ca -0.39 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2aff h GLU 55 Cb 1.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2aff h GLU 55 CO 0.63 0.01 -0.03 1.96 -1.00 0.00 0.00 179.01 180.57 2aff h GLN 56 N 0.02 -0.09 -4.18 2.33 4.20 -2.01 -3.49 115.11 111.89 2aff h GLN 56 Ca 0.83 0.01 -0.26 0.00 0.06 0.00 0.00 58.65 59.29 2aff h GLN 56 Cb 3.21 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 30.92 2aff h GLN 56 CO -0.09 -0.06 -0.26 -1.21 -0.67 0.00 0.00 178.83 176.54 2aff s GLU 57 N -2.44 1.75 -0.20 1.46 2.02 0.57 -5.15 118.70 116.72 2aff s GLU 57 Ca -0.01 -1.69 -0.04 0.00 0.02 0.00 0.00 54.97 53.25 2aff s GLU 57 Cb 0.00 0.42 -0.01 0.00 0.10 0.00 0.00 34.13 34.63 2aff s GLU 57 CO 0.04 -0.71 -0.05 0.00 0.02 0.00 0.00 175.26 174.57 2aff s ALA 58 N -3.38 2.84 -0.07 5.21 0.00 -1.26 -0.72 121.76 124.38 2aff s ALA 58 Ca 0.31 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.25 2aff s ALA 58 Cb 0.01 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2aff s ALA 58 CO 0.18 -0.22 -0.19 0.42 0.00 0.00 0.00 175.76 175.95 2aff s ILE 59 N 1.13 2.56 -0.23 0.00 1.01 -0.64 -1.08 121.20 123.94 2aff s ILE 59 Ca 0.02 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 2aff s ILE 59 Cb -0.15 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 2aff s ILE 59 CO -0.00 0.57 0.15 -0.22 0.00 0.00 0.00 174.94 175.43 2aff s LEU 60 N -0.19 4.07 -0.08 2.97 2.96 -0.33 -0.97 118.68 127.10 2aff s LEU 60 Ca -0.01 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2aff s LEU 60 Cb -0.13 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2aff s LEU 60 CO 0.03 0.08 -0.09 -1.00 -1.32 0.00 0.00 176.35 174.06 2aff s HIS 61 N 0.96 2.89 -0.47 5.38 3.76 0.15 -1.69 115.29 126.29 2aff s HIS 61 Ca 0.07 -0.13 -0.16 0.00 -0.15 0.00 0.00 55.06 54.69 2aff s HIS 61 Cb -0.13 -1.75 0.06 0.00 1.11 0.00 0.00 32.58 31.87 2aff s HIS 61 CO 0.04 0.19 0.43 1.21 -0.85 0.00 0.00 174.74 175.76 2aff s ASN 62 N -0.50 6.16 0.00 1.40 3.84 -1.26 -1.23 114.94 123.36 2aff s ASN 62 Ca 0.07 -1.15 0.22 0.00 0.21 0.00 0.00 52.86 52.22 2aff s ASN 62 Cb -0.12 -2.20 -0.04 0.00 -0.55 0.00 0.00 41.25 38.33 2aff s ASN 62 CO 0.02 -0.66 1.01 0.49 -2.79 0.00 0.00 177.10 175.17 2aff n PHE 63 N 5.41 0.02 -2.08 0.43 3.01 -0.55 -4.87 117.46 118.83 2aff n PHE 63 Ca -0.11 0.01 -0.42 0.00 1.01 0.00 0.00 57.45 57.94 2aff n PHE 63 Cb 0.45 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.78 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 -3.12 5.79 0.08 4.37 0.15 -0.54 -4.67 113.70 115.77 2aff s SER 64 Ca 0.08 0.91 0.23 0.00 0.70 0.00 0.00 55.95 57.87 2aff s SER 64 Cb 0.16 -2.53 0.15 0.00 -1.71 0.00 0.00 66.02 62.09 2aff s SER 64 CO 0.83 -1.86 1.13 -1.54 1.20 0.00 0.00 173.24 173.00 2aff n SER 65 N 10.73 0.64 -0.08 5.45 3.41 -1.26 -3.78 113.62 128.73 2aff n SER 65 Ca 0.21 -0.06 -0.23 0.00 -0.26 0.00 0.00 58.87 58.53 2aff n SER 65 Cb 0.49 0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 64.88 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2aff n THR 66 N -2.05 1.60 -3.67 6.66 -1.04 -1.26 -4.81 114.28 109.71 2aff n THR 66 Ca 0.02 -0.33 -0.29 0.00 -2.04 0.00 0.00 64.05 61.40 2aff n THR 66 Cb 0.44 -1.85 -0.13 0.00 -1.82 0.00 0.00 70.33 66.97 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2aff s ASN 67 N -7.00 3.62 0.37 8.00 0.01 -1.26 -5.12 114.94 113.56 2aff s ASN 67 Ca -0.30 -2.24 -0.27 0.00 -0.71 0.00 0.00 52.86 49.34 2aff s ASN 67 Cb 0.08 -0.85 -0.11 0.00 0.41 0.00 0.00 41.25 40.78 2aff s ASN 67 CO 0.62 -0.32 1.29 -2.65 -1.51 0.00 0.00 177.10 174.53 2aff n PRO 68 N 4.04 2.07 -2.39 -0.60 -0.02 -1.25 -4.72 135.00 132.14 2aff n PRO 68 Ca 0.06 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.87 2aff n PRO 68 Cb 0.37 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 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 -1.13 3.30 -0.10 3.45 2.01 -1.26 -4.88 115.64 117.03 2aff s THR 69 Ca 0.57 1.29 -0.05 0.00 0.31 0.00 0.00 61.69 63.81 2aff s THR 69 Cb -0.54 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 2aff s THR 69 CO 0.61 0.30 0.11 -1.10 -0.69 0.00 0.00 174.62 173.85 2aff s GLN 70 N -1.59 3.32 -0.03 4.92 -0.21 -0.53 -1.67 119.66 123.88 2aff s GLN 70 Ca 0.46 -0.22 0.02 0.00 0.02 0.00 0.00 55.36 55.64 2aff s GLN 70 Cb -0.33 -3.08 0.01 0.00 1.00 0.00 0.00 33.01 30.61 2aff s GLN 70 CO 0.43 0.75 -0.06 0.08 -2.12 0.00 0.00 175.29 174.38 2aff s VAL 71 N -1.02 0.58 -1.33 1.09 1.01 0.46 0.25 120.40 121.44 2aff s VAL 71 Ca 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 2aff s VAL 71 Cb -0.12 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.72 2aff s VAL 71 CO 0.05 0.21 0.31 0.59 0.00 0.00 0.00 175.10 176.26 2aff n ASN 72 N 3.65 -4.60 -0.96 3.32 3.02 0.19 -0.13 115.26 119.75 2aff n ASN 72 Ca -0.22 -0.14 -0.09 0.00 -0.03 0.00 0.00 54.58 54.11 2aff n ASN 72 Cb 0.53 -3.81 -0.01 0.00 -0.61 0.00 0.00 39.78 35.88 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 -1.12 0.15 3.10 7.41 0.00 -1.26 -5.03 105.19 108.43 2aff n GLY 73 Ca -0.11 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.64 -0.13 0.21 1.61 0.15 0.81 -5.11 113.70 108.59 2aff s SER 74 Ca 0.00 0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.53 2aff s SER 74 Cb 0.00 0.34 -0.09 0.00 -1.71 0.00 0.00 66.02 64.56 2aff s SER 74 CO 0.00 -0.20 1.28 -0.69 1.20 0.00 0.00 173.24 174.83 2aff s VAL 75 N -0.48 3.26 -0.90 4.45 1.01 -1.26 0.17 120.40 126.66 2aff s VAL 75 Ca -0.06 1.07 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2aff s VAL 75 Cb -0.04 -3.68 0.28 0.00 0.00 0.00 0.00 36.38 32.94 2aff s VAL 75 CO 0.01 0.17 1.17 2.30 0.00 0.00 0.00 175.10 178.75 2aff n ILE 76 N 2.40 4.08 0.04 2.22 -5.35 -0.67 -4.82 119.36 117.27 2aff n ILE 76 Ca 0.05 -5.63 0.16 0.00 -0.27 0.00 0.00 62.75 57.06 2aff n ILE 76 Cb 0.43 -2.10 0.65 0.00 -1.74 0.00 0.00 39.64 36.88 2aff n ILE 76 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2aff h ASP 77 N 4.95 0.07 -2.48 7.28 3.58 -1.94 -3.41 116.42 124.48 2aff h ASP 77 Ca 0.20 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 57.09 2aff h ASP 77 Cb 0.64 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.59 2aff h ASP 77 CO 1.12 0.04 -0.62 -1.83 -2.88 0.00 0.00 179.24 175.07 2aff s GLU 78 N -5.09 2.50 0.60 0.28 1.03 -1.26 -4.82 118.70 111.93 2aff s GLU 78 Ca -0.05 -1.20 -0.19 0.00 0.03 0.00 0.00 54.97 53.56 2aff s GLU 78 Cb 0.19 -2.34 -0.03 0.00 -0.80 0.00 0.00 34.13 31.14 2aff s GLU 78 CO 0.72 0.41 1.24 -1.25 -1.33 0.00 0.00 175.26 175.05 2aff s PRO 79 N -3.41 2.93 0.01 -4.83 0.04 -1.26 -4.76 135.00 123.71 2aff s PRO 79 Ca 0.30 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2aff s PRO 79 Cb -0.08 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2aff s PRO 79 CO 0.21 -1.26 -0.02 0.14 0.04 0.00 0.00 177.00 176.11 2aff s VAL 80 N -1.53 0.13 -0.02 -0.36 -7.23 -0.68 -4.99 120.40 105.72 2aff s VAL 80 Ca 0.78 -0.32 -0.30 0.00 -1.81 0.00 0.00 61.98 60.33 2aff s VAL 80 Cb -0.33 -0.17 -0.05 0.00 0.56 0.00 0.00 36.38 36.40 2aff s VAL 80 CO 0.35 -0.12 1.31 -0.60 -0.31 0.00 0.00 175.10 175.74 2aff s ARG 81 N -0.46 4.31 0.23 4.82 3.52 -1.26 -1.19 118.95 128.92 2aff s ARG 81 Ca -0.04 1.84 -0.30 0.00 -0.13 0.00 0.00 55.73 57.11 2aff s ARG 81 Cb -0.03 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.71 2aff s ARG 81 CO -0.00 -0.52 1.02 -0.51 -0.81 0.00 0.00 175.30 174.48 2aff s LEU 82 N 2.29 4.57 0.07 -0.88 1.43 -0.24 -4.92 118.68 121.00 2aff s LEU 82 Ca 0.60 2.06 0.02 0.00 -1.03 0.00 0.00 54.13 55.79 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 0.25 -0.03 -0.07 -0.75 0.23 0.00 0.00 176.35 175.98 2aff s LYS 83 N -1.00 0.66 -0.21 1.70 2.20 -1.26 -4.64 119.74 117.19 2aff s LYS 83 Ca 0.44 -1.04 -0.32 0.00 -0.36 0.00 0.00 55.97 54.69 2aff s LYS 83 Cb -0.28 -0.20 -0.09 0.00 -1.51 0.00 0.00 37.83 35.74 2aff s LYS 83 CO 0.35 0.00 2.11 1.58 -0.36 0.00 0.00 175.35 179.04 2aff n HIS 84 N 0.70 1.97 0.00 4.03 -0.00 -1.26 -0.80 115.22 119.87 2aff n HIS 84 Ca -0.17 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2aff n HIS 84 Cb 0.58 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 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 5.60 1.03 3.68 1.57 0.00 -0.99 -4.96 105.19 111.13 2aff n GLY 85 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.61 7.09 -0.16 1.61 2.15 0.02 -4.87 116.67 120.90 2aff s ASP 86 Ca 0.00 1.71 -0.04 0.00 0.43 0.00 0.00 52.55 54.65 2aff s ASP 86 Cb 0.00 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 2aff s ASP 86 CO 0.00 -0.58 -0.02 -0.69 -0.17 0.00 0.00 175.17 173.71 2aff s VAL 87 N 2.38 4.05 -0.15 1.11 1.01 -1.26 -2.10 120.40 125.44 2aff s VAL 87 Ca 0.53 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 2aff s VAL 87 Cb -0.22 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2aff s VAL 87 CO 0.19 0.48 0.25 -0.63 0.00 0.00 0.00 175.10 175.40 2aff s ILE 88 N 0.41 5.33 -0.15 2.22 1.01 -0.28 -0.63 121.20 129.10 2aff s ILE 88 Ca -0.03 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.09 2aff s ILE 88 Cb -0.14 -3.58 -0.00 0.00 0.01 0.00 0.00 42.46 38.75 2aff s ILE 88 CO 0.02 0.44 -0.16 -0.89 0.00 0.00 0.00 174.94 174.36 2aff s THR 89 N 0.12 2.65 -0.14 2.92 2.01 0.68 0.13 115.64 124.01 2aff s THR 89 Ca 0.15 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.39 2aff s THR 89 Cb -0.13 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.29 2aff s THR 89 CO 0.04 0.52 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.67 2aff s ILE 90 N 0.73 1.82 0.00 1.82 1.01 0.56 -1.45 121.20 125.70 2aff s ILE 90 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2aff s ILE 90 Cb -0.16 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.67 2aff s ILE 90 CO 0.01 0.50 0.00 -0.38 0.00 0.00 0.00 174.94 175.07 2aff n ILE 91 N 4.35 0.00 -0.91 2.92 2.08 -1.26 0.26 119.36 126.81 2aff n ILE 91 Ca -0.19 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.20 2aff n ILE 91 Cb 0.51 0.00 0.26 0.00 -0.75 0.00 0.00 39.64 39.65 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2aff n ASP 92 N 3.77 3.88 -4.22 4.38 -0.08 -1.26 -4.97 116.55 118.05 2aff n ASP 92 Ca 0.00 -2.91 -0.25 0.00 -1.51 0.00 0.00 54.79 50.12 2aff n ASP 92 Cb 0.00 -0.52 -0.15 0.00 2.34 0.00 0.00 41.12 42.79 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2aff s ARG 93 N -2.64 1.41 0.04 -0.67 0.52 0.74 -4.30 118.95 114.05 2aff s ARG 93 Ca 0.41 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.83 2aff s ARG 93 Cb 0.32 -1.45 -0.02 0.00 0.52 0.00 0.00 34.95 34.33 2aff s ARG 93 CO 0.10 0.38 -0.09 -1.12 0.02 0.00 0.00 175.30 174.59 2aff s SER 94 N -0.87 1.03 -0.12 0.23 0.01 -1.26 0.21 113.70 112.93 2aff s SER 94 Ca 0.07 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.89 2aff s SER 94 Cb -0.08 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.15 2aff s SER 94 CO 0.01 -0.10 -0.15 -0.36 0.41 0.00 0.00 173.24 173.05 2aff s PHE 95 N -1.04 1.99 -0.08 2.43 0.40 0.12 -2.10 117.98 119.70 2aff s PHE 95 Ca -0.05 -0.97 -0.19 0.00 -0.60 0.00 0.00 56.93 55.12 2aff s PHE 95 Cb -0.08 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 2aff s PHE 95 CO 0.01 -0.51 0.53 1.03 0.70 0.00 0.00 175.22 176.97 2aff s ARG 96 N 1.10 4.32 -0.21 0.44 0.52 -0.95 -1.13 118.95 123.03 2aff s ARG 96 Ca -0.04 0.57 -0.17 0.00 -0.52 0.00 0.00 55.73 55.57 2aff s ARG 96 Cb -0.14 -3.40 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 2aff s ARG 96 CO -0.03 0.23 0.45 -0.47 0.02 0.00 0.00 175.30 175.49 2aff s TYR 97 N 0.36 3.35 -0.13 -0.53 5.04 -0.89 -2.18 117.35 122.36 2aff s TYR 97 Ca 0.28 0.65 0.03 0.00 -2.44 0.00 0.00 57.07 55.59 2aff s TYR 97 Cb -0.16 -2.60 0.01 0.00 0.35 0.00 0.00 41.96 39.56 2aff s TYR 97 CO 0.13 -0.09 -0.23 -1.21 -1.34 0.00 0.00 175.55 172.81 2aff s GLU 98 N 1.61 3.02 0.00 4.97 2.02 -0.27 -2.34 118.70 127.71 2aff s GLU 98 Ca 0.20 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.33 2aff s GLU 98 Cb -0.15 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.69 2aff s GLU 98 CO 0.09 0.04 0.00 -1.71 0.02 0.00 0.00 175.26 173.70 2aff n ASN 99 N 3.91 1.38 0.00 -0.19 2.85 -1.26 -1.32 115.26 120.62 2aff n ASN 99 Ca -0.20 -0.37 0.05 0.00 -0.11 0.00 0.00 54.58 53.95 2aff n ASN 99 Cb 0.52 0.00 0.28 0.00 1.24 0.00 0.00 39.78 41.82 2aff n ASN 99 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36