#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff h THR 4 N 0.00 1.44 -2.89 3.45 2.02 -1.98 -3.46 112.91 111.49 2aff h THR 4 Ca 0.00 -1.65 -0.63 0.00 0.77 0.00 0.00 66.41 64.90 2aff h THR 4 Cb 0.00 2.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.88 2aff h THR 4 CO 0.00 0.41 -0.50 -0.13 0.37 0.00 0.00 175.52 175.67 2aff s ARG 5 N -3.18 3.42 0.00 6.66 0.52 -1.26 -1.91 118.95 123.20 2aff s ARG 5 Ca -0.16 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.66 2aff s ARG 5 Cb -0.01 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.41 2aff s ARG 5 CO 0.63 0.63 -0.08 1.03 0.02 0.00 0.00 175.30 177.54 2aff s ARG 6 N -2.32 0.58 -0.05 3.54 0.52 -0.73 -2.21 118.95 118.27 2aff s ARG 6 Ca 0.32 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.22 2aff s ARG 6 Cb -0.13 -0.54 -0.03 0.00 0.52 0.00 0.00 34.95 34.78 2aff s ARG 6 CO 0.25 0.14 -0.14 -0.51 0.02 0.00 0.00 175.30 175.06 2aff s LEU 7 N -0.41 2.77 -0.13 2.53 1.43 -0.88 -2.25 118.68 121.74 2aff s LEU 7 Ca 0.01 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2aff s LEU 7 Cb -0.04 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 2aff s LEU 7 CO -0.00 0.34 -0.12 -0.69 0.23 0.00 0.00 176.35 176.11 2aff s VAL 8 N -0.71 3.08 -0.32 -1.59 1.01 -0.75 -0.18 120.40 120.94 2aff s VAL 8 Ca 0.11 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 2aff s VAL 8 Cb -0.11 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 2aff s VAL 8 CO 0.01 0.52 0.51 -0.89 0.00 0.00 0.00 175.10 175.25 2aff s THR 9 N 0.41 5.03 0.28 3.92 2.01 -0.86 -1.86 115.64 124.57 2aff s THR 9 Ca -0.10 0.52 -0.17 0.00 0.31 0.00 0.00 61.69 62.25 2aff s THR 9 Cb -0.16 -3.92 -0.09 0.00 0.01 0.00 0.00 72.50 68.35 2aff s THR 9 CO 0.05 -0.12 0.73 -0.63 -0.69 0.00 0.00 174.62 173.97 2aff s ILE 10 N 2.38 4.63 0.32 1.82 1.01 -0.97 -2.37 121.20 128.02 2aff s ILE 10 Ca 0.20 1.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.93 2aff s ILE 10 Cb -0.15 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2aff s ILE 10 CO 0.12 -0.02 0.55 -0.54 0.00 0.00 0.00 174.94 175.05 2aff s LYS 11 N -2.56 3.53 0.54 2.79 1.02 -0.78 -4.43 119.74 119.85 2aff s LYS 11 Ca 0.49 -0.21 0.22 0.00 0.02 0.00 0.00 55.97 56.50 2aff s LYS 11 Cb -0.13 -2.66 1.48 0.00 -0.52 0.00 0.00 37.83 36.00 2aff s LYS 11 CO 0.19 0.17 2.16 0.00 -0.92 0.00 0.00 175.35 176.96 2aff h ARG 12 N 1.12 0.00 0.00 1.68 3.08 -1.90 0.25 114.38 118.62 2aff h ARG 12 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 2aff h ARG 12 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 2aff h ARG 12 CO 0.63 0.04 -0.14 0.66 -1.07 0.00 0.00 179.97 180.09 2aff h SER 13 N 0.00 0.00 0.00 7.04 4.64 -1.93 -3.47 113.55 119.83 2aff h SER 13 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aff h SER 13 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2aff h SER 13 CO 0.00 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 2aff n GLY 14 N 0.05 0.99 3.76 -0.77 0.00 0.89 -5.11 105.19 105.00 2aff n GLY 14 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2aff n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aff s VAL 15 N -2.00 4.66 0.07 1.61 -7.23 -1.26 -4.80 120.40 111.46 2aff s VAL 15 Ca 0.00 -0.29 -0.31 0.00 -1.81 0.00 0.00 61.98 59.58 2aff s VAL 15 Cb 0.00 -3.06 -0.07 0.00 0.56 0.00 0.00 36.38 33.81 2aff s VAL 15 CO 0.00 0.47 1.42 -0.62 -0.31 0.00 0.00 175.10 176.06 2aff s ASP 16 N -1.36 6.81 0.00 4.85 -1.08 -1.26 -1.86 116.67 122.76 2aff s ASP 16 Ca 0.19 2.27 0.00 0.00 -0.52 0.00 0.00 52.55 54.49 2aff s ASP 16 Cb -0.12 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2aff s ASP 16 CO 0.09 -0.70 0.00 0.61 0.52 0.00 0.00 175.17 175.69 2aff n GLY 17 N 3.60 1.68 3.82 2.66 0.00 -1.00 -4.96 105.19 110.99 2aff n GLY 17 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 3.79 3.40 0.25 1.61 0.04 -1.26 -4.79 135.00 138.04 2aff s PRO 18 Ca 0.00 1.08 0.09 0.00 0.04 0.00 0.00 61.00 62.21 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 -0.73 -0.01 -3.38 0.04 0.00 0.00 177.00 172.92 2aff s HIS 19 N -2.64 2.71 -0.34 0.56 -3.43 -1.26 -2.03 115.29 108.86 2aff s HIS 19 Ca 0.61 -0.21 0.01 0.00 -0.80 0.00 0.00 55.06 54.67 2aff s HIS 19 Cb -0.14 -1.23 0.10 0.00 -1.43 0.00 0.00 32.58 29.89 2aff s HIS 19 CO 0.40 0.60 0.10 0.12 -2.00 0.00 0.00 174.74 173.96 2aff s PHE 20 N -2.19 2.30 0.27 0.38 5.36 0.75 -4.93 117.98 119.93 2aff s PHE 20 Ca 0.30 -2.18 -0.29 0.00 -0.96 0.00 0.00 56.93 53.80 2aff s PHE 20 Cb -0.07 -2.07 -0.09 0.00 -0.34 0.00 0.00 43.02 40.44 2aff s PHE 20 CO 0.19 -0.88 1.10 -1.25 -1.46 0.00 0.00 175.22 172.92 2aff s PRO 21 N 1.25 4.63 -1.05 10.12 0.04 -1.26 -2.07 135.00 146.65 2aff s PRO 21 Ca 0.11 1.81 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 2aff s PRO 21 Cb -0.19 -3.20 0.14 0.00 0.04 0.00 0.00 34.50 31.29 2aff s PRO 21 CO -0.17 0.19 1.29 -0.51 0.04 0.00 0.00 177.00 177.84 2aff s LEU 22 N -1.34 4.87 0.00 -3.56 1.43 -0.94 -4.71 118.68 114.42 2aff s LEU 22 Ca 0.45 -2.36 0.27 0.00 -1.03 0.00 0.00 54.13 51.47 2aff s LEU 22 Cb -0.32 -2.42 0.89 0.00 0.03 0.00 0.00 46.19 44.37 2aff s LEU 22 CO 0.41 -0.99 1.67 -1.54 0.23 0.00 0.00 176.35 176.12 2aff n SER 23 N 6.51 0.45 -4.68 2.29 3.41 -1.26 -4.52 113.62 115.81 2aff n SER 23 Ca 0.30 -0.25 -0.31 0.00 -0.26 0.00 0.00 58.87 58.35 2aff n SER 23 Cb 0.47 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.80 3.46 0.29 1.04 1.43 -1.26 -5.00 118.68 115.84 2aff s LEU 24 Ca 0.18 -0.15 0.24 0.00 -1.03 0.00 0.00 54.13 53.38 2aff s LEU 24 Cb 0.19 -2.15 1.04 0.00 0.03 0.00 0.00 46.19 45.30 2aff s LEU 24 CO 0.58 0.20 1.73 0.28 0.23 0.00 0.00 176.35 179.37 2aff h SER 25 N 3.64 0.00 -3.77 2.29 0.02 -1.89 -3.43 113.55 110.41 2aff h SER 25 Ca -0.48 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 59.99 2aff h SER 25 Cb 1.17 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.39 2aff h SER 25 CO 0.59 0.00 -0.80 -0.89 -1.14 0.00 0.00 176.83 174.59 2aff s THR 26 N -3.37 1.01 -0.14 -2.27 2.01 -1.26 -1.13 115.64 110.49 2aff s THR 26 Ca 0.03 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 2aff s THR 26 Cb 0.09 -0.89 0.03 0.00 0.01 0.00 0.00 72.50 71.73 2aff s THR 26 CO 0.38 0.31 -0.09 0.00 -0.69 0.00 0.00 174.62 174.53 2aff s LEU 28 N 1.62 2.25 -0.04 0.00 2.96 -1.26 0.08 118.68 124.29 2aff s LEU 28 Ca 0.04 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2aff s LEU 28 Cb -0.13 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2aff s LEU 28 CO -0.09 0.17 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.70 2aff s PHE 29 N 0.26 2.94 -5.00 5.38 0.40 0.88 0.43 117.98 123.28 2aff s PHE 29 Ca -0.15 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2aff s PHE 29 Cb -0.17 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.68 2aff s PHE 29 CO 0.07 0.36 0.00 0.41 0.70 0.00 0.00 175.22 176.76 2aff n GLY 30 N 1.96 -1.15 0.14 4.36 0.00 -0.94 -2.42 105.19 107.14 2aff n GLY 30 Ca -0.17 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 2aff n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aff h ARG 31 N 2.22 0.19 -7.00 1.61 3.08 -1.35 -3.20 114.38 109.94 2aff h ARG 31 Ca 0.00 -0.18 -0.56 0.00 0.07 0.00 0.00 59.98 59.31 2aff h ARG 31 Cb 0.00 0.05 0.16 0.00 0.08 0.00 0.00 29.97 30.26 2aff h ARG 31 CO 0.00 0.88 0.38 0.41 -1.07 0.00 0.00 179.97 180.57 2aff n GLY 32 N 0.68 0.25 0.23 0.04 0.00 -1.04 -4.79 105.19 100.56 2aff n GLY 32 Ca -0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 0.58 1.26 -0.53 -0.61 2.04 -1.90 -1.35 117.51 117.00 2aff h ILE 33 Ca -0.50 -1.05 0.15 0.00 1.00 0.00 0.00 64.86 64.47 2aff h ILE 33 Cb 1.35 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 2aff h ILE 33 CO 0.52 0.36 0.62 -0.33 0.00 0.00 0.00 178.15 179.32 2aff h GLU 34 N 0.58 0.00 -6.24 2.37 4.39 -1.95 -3.37 114.58 110.36 2aff h GLU 34 Ca 0.12 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.25 2aff h GLU 34 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2aff h GLU 34 CO 0.02 0.00 1.23 0.00 -1.16 0.00 0.00 179.01 179.10 2aff h ASP 36 N 11.61 0.00 -3.30 0.00 3.32 -0.20 -3.35 116.42 124.50 2aff h ASP 36 Ca -0.39 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.18 2aff h ASP 36 Cb 1.19 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.38 2aff h ASP 36 CO 0.98 0.00 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.08 2aff s ILE 37 N -4.19 0.83 -0.10 0.35 1.01 -0.65 -4.97 121.20 113.49 2aff s ILE 37 Ca -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 2aff s ILE 37 Cb 0.10 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 2aff s ILE 37 CO 0.32 0.32 -0.01 -0.13 0.00 0.00 0.00 174.94 175.44 2aff s ARG 38 N 1.39 3.08 -0.08 2.79 0.52 -1.26 -2.21 118.95 123.18 2aff s ARG 38 Ca -0.02 -0.43 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 2aff s ARG 38 Cb -0.13 -2.81 -0.00 0.00 0.52 0.00 0.00 34.95 32.52 2aff s ARG 38 CO -0.04 0.63 -0.24 0.42 0.02 0.00 0.00 175.30 176.10 2aff s ILE 39 N -0.69 2.00 -0.59 1.52 1.01 -1.21 -5.00 121.20 118.24 2aff s ILE 39 Ca 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2aff s ILE 39 Cb -0.12 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.64 2aff s ILE 39 CO 0.02 0.55 0.54 0.00 0.00 0.00 0.00 174.94 176.05 2aff n GLN 40 N 3.28 0.77 -4.08 2.79 6.02 -1.26 -4.68 117.38 120.21 2aff n GLN 40 Ca -0.18 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.46 2aff n GLN 40 Cb 0.53 -1.27 -0.11 0.00 1.02 0.00 0.00 30.24 30.40 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 3.61 0.01 1.08 1.43 -1.26 -4.98 118.68 118.58 2aff s LEU 41 Ca 0.00 -0.01 0.18 0.00 -1.03 0.00 0.00 54.13 53.27 2aff s LEU 41 Cb 0.00 -1.91 0.76 0.00 0.03 0.00 0.00 46.19 45.07 2aff s LEU 41 CO 0.00 0.15 1.57 -0.81 0.23 0.00 0.00 176.35 177.49 2aff n PRO 42 N 3.71 0.01 0.00 1.29 -0.04 -1.26 -2.37 135.00 136.34 2aff n PRO 42 Ca -0.17 0.21 0.15 0.00 -0.04 0.00 0.00 63.50 63.65 2aff n PRO 42 Cb 0.52 -1.52 0.64 0.00 -0.04 0.00 0.00 33.50 33.10 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 -1.54 0.00 -3.31 0.52 0.24 -1.26 -4.84 118.33 108.14 2aff n VAL 43 Ca 0.04 -0.17 -0.38 0.00 -2.04 0.00 0.00 64.34 61.79 2aff n VAL 43 Cb 0.21 0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 32.73 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 -2.02 5.13 0.86 3.34 1.01 -1.00 -4.98 120.40 122.74 2aff s VAL 44 Ca 0.40 1.00 -0.10 0.00 0.00 0.00 0.00 61.98 63.28 2aff s VAL 44 Cb 0.21 -3.83 0.11 0.00 0.00 0.00 0.00 36.38 32.87 2aff s VAL 44 CO 0.35 0.36 1.12 -0.44 0.00 0.00 0.00 175.10 176.49 2aff s SER 45 N 0.36 3.56 0.21 3.32 0.01 -1.26 -4.44 113.70 115.45 2aff s SER 45 Ca 0.27 1.97 -0.10 0.00 1.31 0.00 0.00 55.95 59.39 2aff s SER 45 Cb -0.16 -2.51 0.16 0.00 0.21 0.00 0.00 66.02 63.72 2aff s SER 45 CO 0.12 -2.66 1.88 0.11 0.41 0.00 0.00 173.24 173.10 2aff h LYS 46 N -1.56 0.99 0.00 12.44 1.57 -1.94 -2.21 116.57 125.86 2aff h LYS 46 Ca -0.44 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2aff h LYS 46 Cb 1.26 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2aff h LYS 46 CO 0.47 0.65 -1.08 1.04 -0.57 0.00 0.00 179.45 179.96 2aff n GLN 47 N -4.56 1.58 0.00 3.15 1.13 -1.26 -2.50 117.38 114.92 2aff n GLN 47 Ca 0.07 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2aff n GLN 47 Cb 0.02 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.25 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 -1.61 0.00 -4.08 1.08 -0.00 -1.12 -4.04 115.22 105.45 2aff n HIS 48 Ca -0.01 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.03 2aff n HIS 48 Cb 0.21 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.93 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 -0.12 1.85 -0.08 0.00 2.20 -0.04 -0.08 119.74 123.47 2aff s LYS 50 Ca 0.01 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.12 2aff s LYS 50 Cb -0.02 -1.53 -0.02 0.00 -1.51 0.00 0.00 37.83 34.75 2aff s LYS 50 CO -0.00 0.12 -0.15 0.42 -0.36 0.00 0.00 175.35 175.37 2aff s ILE 51 N 0.41 2.93 -0.17 5.43 1.01 0.11 0.60 121.20 131.53 2aff s ILE 51 Ca -0.11 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 2aff s ILE 51 Cb -0.14 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 2aff s ILE 51 CO 0.04 0.57 -0.10 -1.61 0.00 0.00 0.00 174.94 173.83 2aff s GLU 52 N -0.29 3.35 -0.31 2.79 2.02 0.28 -1.96 118.70 124.58 2aff s GLU 52 Ca 0.02 -0.67 -0.07 0.00 0.02 0.00 0.00 54.97 54.26 2aff s GLU 52 Cb -0.13 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.35 2aff s GLU 52 CO 0.03 0.03 0.10 0.42 0.02 0.00 0.00 175.26 175.85 2aff s ILE 53 N 0.83 3.99 -0.02 -1.63 1.01 -0.29 -0.48 121.20 124.62 2aff s ILE 53 Ca -0.03 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.89 2aff s ILE 53 Cb -0.15 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2aff s ILE 53 CO 0.01 0.01 -0.17 -1.00 0.00 0.00 0.00 174.94 173.79 2aff s HIS 54 N 1.49 2.62 0.58 3.97 3.76 0.64 -4.87 115.29 123.47 2aff s HIS 54 Ca 0.02 -0.22 0.25 0.00 -0.15 0.00 0.00 55.06 54.96 2aff s HIS 54 Cb -0.18 -1.57 0.86 0.00 1.11 0.00 0.00 32.58 32.80 2aff s HIS 54 CO 0.03 0.17 1.23 -1.91 -0.85 0.00 0.00 174.74 173.41 2aff n GLU 55 N 2.12 0.01 0.09 1.40 2.13 -1.26 0.90 120.64 126.03 2aff n GLU 55 Ca -0.17 0.97 -0.04 0.00 0.66 0.00 0.00 57.16 58.59 2aff n GLU 55 Cb 0.52 -2.41 -0.02 0.00 0.27 0.00 0.00 31.44 29.81 2aff n GLU 55 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2aff h GLN 56 N 0.00 -0.22 0.00 5.31 4.15 -2.00 -3.49 115.11 118.85 2aff h GLN 56 Ca 0.47 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.90 2aff h GLN 56 Cb 2.78 0.05 0.00 0.00 0.21 0.00 0.00 27.48 30.52 2aff h GLN 56 CO -0.00 -0.15 0.00 -0.85 -1.93 0.00 0.00 178.83 175.90 2aff n GLU 57 N -2.90 0.00 -4.53 1.69 0.28 0.26 -5.15 120.64 110.28 2aff n GLU 57 Ca -0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.64 2aff n GLU 57 Cb 0.09 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.82 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 2.66 -0.14 -1.84 0.00 -1.26 -0.26 121.76 119.92 2aff s ALA 58 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 2aff s ALA 58 Cb 0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 2aff s ALA 58 CO 0.00 0.06 -0.12 0.42 0.00 0.00 0.00 175.76 176.12 2aff s ILE 59 N 0.66 3.08 -0.20 0.00 1.01 0.37 0.10 121.20 126.22 2aff s ILE 59 Ca -0.06 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 59 Cb -0.15 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 2aff s ILE 59 CO 0.02 0.51 0.26 -0.22 0.00 0.00 0.00 174.94 175.52 2aff s LEU 60 N 0.48 4.17 -0.06 2.97 2.96 -0.64 -0.56 118.68 128.00 2aff s LEU 60 Ca -0.09 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 2aff s LEU 60 Cb -0.16 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 2aff s LEU 60 CO 0.04 0.04 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.96 2aff s HIS 61 N 0.91 2.69 -0.41 5.38 3.76 0.20 -2.22 115.29 125.61 2aff s HIS 61 Ca 0.13 -0.28 -0.14 0.00 -0.15 0.00 0.00 55.06 54.62 2aff s HIS 61 Cb -0.13 -1.66 0.03 0.00 1.11 0.00 0.00 32.58 31.92 2aff s HIS 61 CO 0.05 0.09 0.28 1.21 -0.85 0.00 0.00 174.74 175.52 2aff s ASN 62 N -0.51 6.02 0.00 1.40 3.84 -1.26 -0.86 114.94 123.57 2aff s ASN 62 Ca 0.07 -0.96 0.25 0.00 0.21 0.00 0.00 52.86 52.42 2aff s ASN 62 Cb -0.12 -2.13 0.41 0.00 -0.55 0.00 0.00 41.25 38.86 2aff s ASN 62 CO 0.01 -0.45 1.35 0.49 -2.79 0.00 0.00 177.10 175.71 2aff n PHE 63 N 5.12 0.00 -2.96 0.43 3.01 0.36 -4.79 117.46 118.64 2aff n PHE 63 Ca -0.11 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 57.91 2aff n PHE 63 Cb 0.46 -0.06 -0.04 0.00 -0.01 0.00 0.00 39.48 39.83 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 -2.46 6.20 0.15 4.37 0.15 -0.16 -4.61 113.70 117.33 2aff s SER 64 Ca 0.22 -1.05 0.18 0.00 0.70 0.00 0.00 55.95 56.00 2aff s SER 64 Cb 0.19 -2.37 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 2aff s SER 64 CO 0.53 -1.28 1.03 0.77 1.20 0.00 0.00 173.24 175.49 2aff h SER 65 N 9.38 0.00 -0.26 5.45 4.64 -1.91 -3.02 113.55 127.83 2aff h SER 65 Ca -0.29 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.93 2aff h SER 65 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2aff h SER 65 CO 1.13 0.42 -0.26 0.74 -0.87 0.00 0.00 176.83 178.00 2aff h THR 66 N 0.00 1.31 -2.54 2.95 2.02 -2.01 -3.41 112.91 111.23 2aff h THR 66 Ca -0.09 -1.42 -0.44 0.00 0.77 0.00 0.00 66.41 65.23 2aff h THR 66 Cb 1.40 1.63 -0.37 0.00 -1.74 0.00 0.00 68.15 69.07 2aff h THR 66 CO 0.04 0.45 -0.72 0.20 0.37 0.00 0.00 175.52 175.86 2aff s ASN 67 N -6.46 2.68 0.60 4.18 0.01 -1.25 -5.15 114.94 109.55 2aff s ASN 67 Ca -0.13 -1.01 -0.18 0.00 -0.71 0.00 0.00 52.86 50.83 2aff s ASN 67 Cb 0.08 0.02 -0.03 0.00 0.41 0.00 0.00 41.25 41.73 2aff s ASN 67 CO 0.81 -0.41 1.18 -2.16 -1.51 0.00 0.00 177.10 175.02 2aff s PRO 68 N 2.21 2.95 0.27 -0.60 0.04 -1.14 -4.68 135.00 134.06 2aff s PRO 68 Ca 0.09 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 2aff s PRO 68 Cb -0.15 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2aff s PRO 68 CO -0.33 -1.20 1.25 0.99 0.04 0.00 0.00 177.00 177.75 2aff s THR 69 N -1.73 3.11 -0.07 1.26 2.01 -1.26 -4.77 115.64 114.19 2aff s THR 69 Ca 0.75 1.04 -0.04 0.00 0.31 0.00 0.00 61.69 63.74 2aff s THR 69 Cb -0.28 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2aff s THR 69 CO 0.34 0.21 0.13 -1.10 -0.69 0.00 0.00 174.62 173.51 2aff s GLN 70 N -1.09 3.34 -0.02 4.92 -0.21 -0.62 -0.81 119.66 125.17 2aff s GLN 70 Ca 0.50 -0.26 0.04 0.00 0.02 0.00 0.00 55.36 55.66 2aff s GLN 70 Cb -0.36 -3.07 -0.00 0.00 1.00 0.00 0.00 33.01 30.57 2aff s GLN 70 CO 0.44 0.72 -0.13 0.54 -2.12 0.00 0.00 175.29 174.75 2aff s VAL 71 N -1.12 1.07 -1.08 1.09 0.11 0.56 0.20 120.40 121.24 2aff s VAL 71 Ca 0.19 -0.54 -0.05 0.00 -2.93 0.00 0.00 61.98 58.65 2aff s VAL 71 Cb -0.12 -0.92 0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2aff s VAL 71 CO 0.09 0.31 0.25 0.59 -3.33 0.00 0.00 175.10 173.01 2aff n ASN 72 N 3.05 -3.55 -0.61 3.54 3.02 -0.52 0.13 115.26 120.31 2aff n ASN 72 Ca -0.17 -0.07 -0.06 0.00 -0.03 0.00 0.00 54.58 54.25 2aff n ASN 72 Cb 0.54 -2.99 -0.01 0.00 -0.61 0.00 0.00 39.78 36.71 2aff n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aff n GLY 73 N -0.96 0.28 2.90 7.41 0.00 -1.26 -5.04 105.19 108.51 2aff n GLY 73 Ca -0.07 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.78 -0.03 0.29 1.61 0.01 0.35 -5.10 113.70 108.05 2aff s SER 74 Ca 0.00 0.08 -0.29 0.00 1.31 0.00 0.00 55.95 57.05 2aff s SER 74 Cb 0.00 0.07 -0.10 0.00 0.21 0.00 0.00 66.02 66.20 2aff s SER 74 CO 0.00 -0.03 1.39 0.68 0.41 0.00 0.00 173.24 175.69 2aff s VAL 75 N 0.15 2.64 -0.65 3.43 -7.23 -1.26 0.21 120.40 117.69 2aff s VAL 75 Ca -0.01 0.59 -0.16 0.00 -1.81 0.00 0.00 61.98 60.59 2aff s VAL 75 Cb -0.02 -3.37 0.16 0.00 0.56 0.00 0.00 36.38 33.71 2aff s VAL 75 CO -0.00 0.12 0.61 -0.63 -0.31 0.00 0.00 175.10 174.89 2aff s ILE 76 N -0.56 5.32 0.17 -0.62 1.01 0.01 -4.85 121.20 121.69 2aff s ILE 76 Ca 0.54 -1.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.27 2aff s ILE 76 Cb -0.41 -4.40 0.06 0.00 0.01 0.00 0.00 42.46 37.72 2aff s ILE 76 CO 0.49 -0.95 1.66 0.44 0.00 0.00 0.00 174.94 176.58 2aff h ASP 77 N 8.52 0.92 -3.08 3.58 3.32 -1.93 -3.43 116.42 124.32 2aff h ASP 77 Ca -0.15 -0.26 -0.48 0.00 0.02 0.00 0.00 57.03 56.16 2aff h ASP 77 Cb 1.08 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.24 2aff h ASP 77 CO 0.94 0.95 -0.66 -1.83 -1.72 0.00 0.00 179.24 176.92 2aff s GLU 78 N -5.21 1.55 0.45 3.56 -1.05 -1.26 -5.00 118.70 111.74 2aff s GLU 78 Ca -0.12 -1.81 -0.25 0.00 -0.15 0.00 0.00 54.97 52.64 2aff s GLU 78 Cb 0.13 -1.04 -0.09 0.00 -0.44 0.00 0.00 34.13 32.69 2aff s GLU 78 CO 0.83 -0.03 1.28 -0.35 0.95 0.00 0.00 175.26 177.94 2aff n PRO 79 N -0.59 1.88 -4.33 -4.83 -0.04 -1.26 -4.89 135.00 120.94 2aff n PRO 79 Ca -0.05 0.67 -0.19 0.00 -0.04 0.00 0.00 63.50 63.90 2aff n PRO 79 Cb 0.64 -2.41 -0.15 0.00 -0.04 0.00 0.00 33.50 31.54 2aff n PRO 79 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2aff s VAL 80 N -1.22 0.68 0.20 0.52 1.01 -0.94 -4.99 120.40 115.65 2aff s VAL 80 Ca 0.63 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2aff s VAL 80 Cb -0.49 -0.59 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 2aff s VAL 80 CO 0.56 0.21 1.33 -0.13 0.00 0.00 0.00 175.10 177.07 2aff s ARG 81 N 0.06 4.37 0.16 2.72 0.52 -1.26 -1.62 118.95 123.89 2aff s ARG 81 Ca -0.01 2.09 -0.29 0.00 -0.52 0.00 0.00 55.73 57.01 2aff s ARG 81 Cb -0.06 -3.18 -0.07 0.00 0.52 0.00 0.00 34.95 32.15 2aff s ARG 81 CO 0.00 -0.28 0.91 -0.51 0.02 0.00 0.00 175.30 175.44 2aff s LEU 82 N -0.14 4.56 0.07 2.53 1.43 0.28 -4.89 118.68 122.53 2aff s LEU 82 Ca 0.57 1.79 0.07 0.00 -1.03 0.00 0.00 54.13 55.54 2aff s LEU 82 Cb -0.37 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 2aff s LEU 82 CO 0.39 0.06 -0.20 -0.75 0.23 0.00 0.00 176.35 176.08 2aff s LYS 83 N -0.59 1.22 0.07 1.70 2.20 -1.26 -4.42 119.74 118.66 2aff s LYS 83 Ca 0.42 -1.00 -0.33 0.00 -0.36 0.00 0.00 55.97 54.70 2aff s LYS 83 Cb -0.24 -1.37 -0.12 0.00 -1.51 0.00 0.00 37.83 34.59 2aff s LYS 83 CO 0.29 0.34 1.78 1.58 -0.36 0.00 0.00 175.35 178.98 2aff n HIS 84 N 1.55 2.44 0.00 4.03 -0.00 -1.26 -0.48 115.22 121.50 2aff n HIS 84 Ca -0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 2aff n HIS 84 Cb 0.54 -2.66 0.00 0.00 -0.00 0.00 0.00 29.99 27.86 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 4.06 2.67 3.74 1.57 0.00 -0.57 -4.98 105.19 111.68 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 -0.35 0.00 0.00 0.00 173.32 172.97 2aff s ASP 86 N -0.64 6.61 -0.12 1.61 -1.08 0.37 -4.79 116.67 118.62 2aff s ASP 86 Ca 0.00 2.70 -0.01 0.00 -0.52 0.00 0.00 52.55 54.72 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 -1.46 0.00 0.00 42.92 38.81 2aff s ASP 86 CO 0.00 -0.74 -0.07 0.54 0.52 0.00 0.00 175.17 175.41 2aff s VAL 87 N 0.12 3.60 -0.19 1.11 0.11 -1.26 -2.17 120.40 121.71 2aff s VAL 87 Ca 0.61 -0.48 -0.11 0.00 -2.93 0.00 0.00 61.98 59.07 2aff s VAL 87 Cb -0.43 -2.53 -0.05 0.00 -1.53 0.00 0.00 36.38 31.85 2aff s VAL 87 CO 0.43 0.53 0.17 -0.63 -3.33 0.00 0.00 175.10 172.27 2aff s ILE 88 N 0.02 5.39 -0.17 7.04 1.01 -0.89 -1.44 121.20 132.15 2aff s ILE 88 Ca -0.01 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2aff s ILE 88 Cb -0.14 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.83 2aff s ILE 88 CO 0.03 0.43 -0.15 -0.89 0.00 0.00 0.00 174.94 174.36 2aff s THR 89 N 0.36 2.58 -0.12 2.92 2.01 0.54 -0.32 115.64 123.61 2aff s THR 89 Ca 0.10 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.33 2aff s THR 89 Cb -0.11 -2.09 -0.00 0.00 0.01 0.00 0.00 72.50 70.30 2aff s THR 89 CO -0.01 0.51 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.62 2aff s ILE 90 N 0.98 2.50 0.00 1.82 1.01 0.85 -1.59 121.20 126.77 2aff s ILE 90 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 90 Cb -0.15 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.31 2aff s ILE 90 CO -0.03 0.54 0.00 -0.38 0.00 0.00 0.00 174.94 175.07 2aff n ILE 91 N 3.63 0.00 0.00 2.92 5.41 -1.26 0.41 119.36 130.47 2aff n ILE 91 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2aff n ILE 91 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 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 -4.01 4.38 -0.08 -1.26 -4.97 116.55 110.60 2aff n ASP 92 Ca 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 2aff n ASP 92 Cb 0.00 -0.06 -0.16 0.00 2.34 0.00 0.00 41.12 43.24 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 0.00 1.18 0.04 -0.67 0.52 1.36 -4.18 118.95 117.20 2aff s ARG 93 Ca 0.00 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 2aff s ARG 93 Cb 0.00 -1.07 -0.02 0.00 0.52 0.00 0.00 34.95 34.38 2aff s ARG 93 CO 0.00 0.10 -0.10 -1.12 0.02 0.00 0.00 175.30 174.20 2aff s SER 94 N 0.31 1.14 -0.16 0.23 0.01 -1.26 0.29 113.70 114.26 2aff s SER 94 Ca -0.06 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.72 2aff s SER 94 Cb -0.11 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.12 2aff s SER 94 CO 0.01 -0.10 -0.16 -0.36 0.41 0.00 0.00 173.24 173.04 2aff s PHE 95 N -1.10 2.39 0.02 2.43 0.40 0.56 -2.28 117.98 120.41 2aff s PHE 95 Ca -0.05 -1.37 -0.30 0.00 -0.60 0.00 0.00 56.93 54.61 2aff s PHE 95 Cb -0.09 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 2aff s PHE 95 CO 0.01 -0.72 0.98 0.50 0.70 0.00 0.00 175.22 176.69 2aff s ARG 96 N 1.40 4.59 -0.25 0.44 3.52 -0.77 -2.10 118.95 125.77 2aff s ARG 96 Ca 0.05 1.43 -0.12 0.00 -0.13 0.00 0.00 55.73 56.95 2aff s ARG 96 Cb -0.13 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 2aff s ARG 96 CO -0.11 0.00 0.24 -0.47 -0.81 0.00 0.00 175.30 174.14 2aff s TYR 97 N 0.81 3.29 -0.03 5.12 5.04 -0.92 -1.82 117.35 128.84 2aff s TYR 97 Ca 0.51 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 2aff s TYR 97 Cb -0.22 -2.38 0.03 0.00 0.35 0.00 0.00 41.96 39.74 2aff s TYR 97 CO 0.28 -0.05 0.02 -1.21 -1.34 0.00 0.00 175.55 173.25 2aff s GLU 98 N 1.44 0.10 0.06 4.97 2.02 -0.95 -1.51 118.70 124.81 2aff s GLU 98 Ca 0.10 0.15 -0.16 0.00 0.02 0.00 0.00 54.97 55.08 2aff s GLU 98 Cb -0.15 -0.36 -0.06 0.00 0.10 0.00 0.00 34.13 33.66 2aff s GLU 98 CO 0.08 -0.17 0.49 -0.80 0.02 0.00 0.00 175.26 174.88 2aff s ASN 99 N 1.12 6.90 0.00 -0.19 0.01 -1.26 -1.78 114.94 119.74 2aff s ASN 99 Ca -0.08 1.09 0.00 0.00 -0.71 0.00 0.00 52.86 53.15 2aff s ASN 99 Cb -0.13 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.23 2aff s ASN 99 CO -0.03 0.26 0.00 -0.62 -1.51 0.00 0.00 177.10 175.21