#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 1.52 -3.45 0.52 -2.24 -1.26 -4.86 114.28 104.51 2aff n THR 4 Ca 0.00 -0.48 -0.38 0.00 -2.27 0.00 0.00 64.05 60.92 2aff n THR 4 Cb 0.00 -1.65 -0.09 0.00 -2.10 0.00 0.00 70.33 66.49 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 -2.51 4.06 0.01 -0.78 0.52 -1.26 -0.29 118.95 118.70 2aff s ARG 5 Ca -0.36 -0.01 0.05 0.00 -0.52 0.00 0.00 55.73 54.90 2aff s ARG 5 Cb 0.11 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.96 2aff s ARG 5 CO 0.56 -0.15 -0.16 -0.98 0.02 0.00 0.00 175.30 174.59 2aff s ARG 6 N 1.69 1.15 -0.11 3.54 1.70 -0.73 -2.23 118.95 123.97 2aff s ARG 6 Ca 0.14 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.73 2aff s ARG 6 Cb -0.15 -1.15 -0.02 0.00 -0.57 0.00 0.00 34.95 33.05 2aff s ARG 6 CO 0.09 0.30 -0.12 -1.17 -1.08 0.00 0.00 175.30 173.32 2aff s LEU 7 N -0.74 2.80 -0.15 -1.89 2.96 -0.81 -2.19 118.68 118.67 2aff s LEU 7 Ca 0.05 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 2aff s LEU 7 Cb -0.07 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2aff s LEU 7 CO 0.00 0.22 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.53 2aff s VAL 8 N 0.01 3.91 -0.34 1.68 1.01 -0.83 0.46 120.40 126.29 2aff s VAL 8 Ca -0.03 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 2aff s VAL 8 Cb -0.14 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 2aff s VAL 8 CO 0.04 0.51 0.56 -0.89 0.00 0.00 0.00 175.10 175.32 2aff s THR 9 N 0.22 4.97 0.29 3.92 2.01 -0.99 -1.83 115.64 124.22 2aff s THR 9 Ca -0.02 0.52 -0.22 0.00 0.31 0.00 0.00 61.69 62.28 2aff s THR 9 Cb -0.14 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 2aff s THR 9 CO 0.03 -0.21 0.83 -0.63 -0.69 0.00 0.00 174.62 173.94 2aff s ILE 10 N 2.51 4.43 0.44 1.82 1.01 -0.67 -2.22 121.20 128.53 2aff s ILE 10 Ca 0.21 1.47 -0.02 0.00 0.00 0.00 0.00 60.65 62.32 2aff s ILE 10 Cb -0.15 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 2aff s ILE 10 CO 0.13 0.10 0.68 -0.54 0.00 0.00 0.00 174.94 175.32 2aff s LYS 11 N -2.20 3.29 0.52 2.79 1.02 0.18 -4.41 119.74 120.94 2aff s LYS 11 Ca 0.48 -0.23 0.19 0.00 0.02 0.00 0.00 55.97 56.44 2aff s LYS 11 Cb -0.16 -2.52 1.31 0.00 -0.52 0.00 0.00 37.83 35.95 2aff s LYS 11 CO 0.21 -0.17 2.09 0.00 -0.92 0.00 0.00 175.35 176.56 2aff h ARG 12 N 0.40 0.01 0.00 1.68 3.08 -1.86 0.32 114.38 118.01 2aff h ARG 12 Ca -0.47 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2aff h ARG 12 Cb 1.23 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2aff h ARG 12 CO 0.60 0.01 0.00 0.43 -1.07 0.00 0.00 179.97 179.93 2aff n SER 13 N -4.48 0.00 0.00 7.04 7.64 -1.26 -4.88 113.62 117.69 2aff n SER 13 Ca 0.02 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.20 2aff n SER 13 Cb 0.29 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aff n GLY 14 N 1.19 1.26 3.25 0.23 0.00 0.11 -5.08 105.19 106.15 2aff n GLY 14 Ca 0.09 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 2.05 0.27 1.61 1.01 -1.24 -4.83 120.40 117.28 2aff s VAL 15 Ca 0.00 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 2aff s VAL 15 Cb 0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 2aff s VAL 15 CO 0.00 0.57 0.95 1.51 0.00 0.00 0.00 175.10 178.13 2aff s ASP 16 N -0.01 7.51 0.00 3.32 1.47 -1.26 0.47 116.67 128.17 2aff s ASP 16 Ca -0.08 1.93 0.00 0.00 1.18 0.00 0.00 52.55 55.57 2aff s ASP 16 Cb -0.15 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.83 2aff s ASP 16 CO 0.05 0.06 0.00 0.61 0.68 0.00 0.00 175.17 176.57 2aff n GLY 17 N 1.14 2.32 3.80 2.12 0.00 -0.94 -4.92 105.19 108.70 2aff n GLY 17 Ca -0.01 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 2.23 3.80 0.08 1.61 0.04 -1.26 -4.82 135.00 136.68 2aff s PRO 18 Ca 0.00 1.36 0.06 0.00 0.04 0.00 0.00 61.00 62.45 2aff s PRO 18 Cb 0.00 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2aff s PRO 18 CO 0.00 -0.43 -0.06 -3.38 0.04 0.00 0.00 177.00 173.17 2aff s HIS 19 N -1.99 2.84 -0.33 0.56 -3.43 -1.26 -2.36 115.29 109.34 2aff s HIS 19 Ca 0.67 -0.09 0.01 0.00 -0.80 0.00 0.00 55.06 54.85 2aff s HIS 19 Cb -0.16 -1.50 0.08 0.00 -1.43 0.00 0.00 32.58 29.57 2aff s HIS 19 CO 0.20 0.43 0.03 0.12 -2.00 0.00 0.00 174.74 173.52 2aff s PHE 20 N -1.21 3.50 0.10 0.38 5.36 0.17 -4.97 117.98 121.31 2aff s PHE 20 Ca 0.22 -2.48 -0.30 0.00 -0.96 0.00 0.00 56.93 53.41 2aff s PHE 20 Cb -0.11 -2.57 -0.06 0.00 -0.34 0.00 0.00 43.02 39.93 2aff s PHE 20 CO 0.14 -0.91 1.20 -1.25 -1.46 0.00 0.00 175.22 172.94 2aff s PRO 21 N 1.07 4.45 -0.35 10.12 0.04 -1.26 -1.92 135.00 147.16 2aff s PRO 21 Ca 0.02 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 62.83 2aff s PRO 21 Cb -0.20 -3.32 0.08 0.00 0.04 0.00 0.00 34.50 31.11 2aff s PRO 21 CO -0.05 -0.20 2.56 1.28 0.04 0.00 0.00 177.00 180.62 2aff n LEU 22 N 3.53 6.33 -0.02 -3.56 4.77 -0.94 -4.50 117.00 122.61 2aff n LEU 22 Ca 0.08 -3.66 0.15 0.00 -0.03 0.00 0.00 56.01 52.55 2aff n LEU 22 Cb 0.46 -1.18 0.58 0.00 -2.33 0.00 0.00 43.42 40.95 2aff n LEU 22 CO 0.56 1.52 1.18 0.28 -1.33 0.00 0.00 177.39 179.59 2aff h SER 23 N 2.38 0.20 -3.92 -1.43 0.02 -1.92 -3.41 113.55 105.48 2aff h SER 23 Ca 0.33 0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 60.77 2aff h SER 23 Cb 0.87 -0.04 0.05 0.00 0.14 0.00 0.00 62.40 63.43 2aff h SER 23 CO 0.75 0.12 0.54 -0.76 -1.14 0.00 0.00 176.83 176.33 2aff s LEU 24 N -9.10 4.27 0.43 5.07 1.43 -1.26 -4.90 118.68 114.62 2aff s LEU 24 Ca -0.06 2.43 0.30 0.00 -1.03 0.00 0.00 54.13 55.77 2aff s LEU 24 Cb 0.19 -3.90 1.50 0.00 0.03 0.00 0.00 46.19 44.01 2aff s LEU 24 CO 0.74 -0.62 1.91 0.77 0.23 0.00 0.00 176.35 179.38 2aff h SER 25 N 2.89 0.00 -4.44 2.29 4.64 -1.90 -3.43 113.55 113.60 2aff h SER 25 Ca -0.49 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.67 2aff h SER 25 Cb 1.23 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.09 2aff h SER 25 CO 0.63 0.00 -0.48 -0.89 -0.87 0.00 0.00 176.83 175.22 2aff s THR 26 N -3.68 0.04 -0.04 2.95 2.01 -1.26 -0.66 115.64 115.00 2aff s THR 26 Ca -0.01 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2aff s THR 26 Cb 0.09 -0.37 0.03 0.00 0.01 0.00 0.00 72.50 72.26 2aff s THR 26 CO 0.34 -0.20 -0.01 0.00 -0.69 0.00 0.00 174.62 174.06 2aff s LEU 28 N 1.18 2.67 -0.14 0.00 2.96 -1.26 -1.06 118.68 123.04 2aff s LEU 28 Ca -0.07 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 2aff s LEU 28 Cb -0.13 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 2aff s LEU 28 CO -0.02 0.06 0.24 -0.36 -1.32 0.00 0.00 176.35 174.95 2aff s PHE 29 N 1.00 3.52 -0.73 5.38 0.40 0.49 -0.11 117.98 127.92 2aff s PHE 29 Ca -0.01 0.58 0.00 0.00 -0.60 0.00 0.00 56.93 56.90 2aff s PHE 29 Cb -0.15 -2.21 0.00 0.00 0.51 0.00 0.00 43.02 41.17 2aff s PHE 29 CO -0.01 0.41 0.00 0.41 0.70 0.00 0.00 175.22 176.73 2aff n GLY 30 N 2.89 -1.33 0.11 4.36 0.00 -0.61 -2.49 105.19 108.12 2aff n GLY 30 Ca -0.15 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 44.90 2aff n GLY 30 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2aff h ARG 31 N 0.00 0.00 -7.13 1.61 2.43 -1.04 -1.92 114.38 108.33 2aff h ARG 31 Ca 0.00 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.68 2aff h ARG 31 Cb 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 29.60 2aff h ARG 31 CO 0.00 0.20 0.39 0.20 -1.51 0.00 0.00 179.97 179.25 2aff s GLY 32 N -4.63 2.35 0.18 2.80 0.00 -1.25 -4.67 107.32 102.12 2aff s GLY 32 Ca -0.02 0.55 -0.10 0.00 0.00 0.00 0.00 44.72 45.15 2aff s GLY 32 CO 0.80 0.87 1.71 1.19 0.00 0.00 0.00 173.10 177.67 2aff h ILE 33 N 0.98 1.25 0.00 0.90 6.09 -1.92 -2.05 117.51 122.76 2aff h ILE 33 Ca -0.48 -0.87 0.00 0.00 -1.37 0.00 0.00 64.86 62.13 2aff h ILE 33 Cb 1.23 0.58 0.00 0.00 0.47 0.00 0.00 36.82 39.10 2aff h ILE 33 CO 0.58 0.34 0.38 -0.08 -3.07 0.00 0.00 178.15 176.29 2aff h GLU 34 N 0.95 0.00 -6.77 2.19 4.81 -1.94 -3.41 114.58 110.41 2aff h GLU 34 Ca 0.21 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.93 2aff h GLU 34 Cb 0.31 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.70 2aff h GLU 34 CO -0.01 0.00 0.46 0.00 -0.73 0.00 0.00 179.01 178.74 2aff h ASP 36 N 4.13 0.32 -3.29 0.00 3.32 -0.75 -3.37 116.42 116.78 2aff h ASP 36 Ca -0.46 -0.02 -0.63 0.00 0.02 0.00 0.00 57.03 55.94 2aff h ASP 36 Cb 1.21 -0.08 -0.36 0.00 0.22 0.00 0.00 39.33 40.32 2aff h ASP 36 CO 0.68 0.29 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.04 2aff s ILE 37 N -5.21 1.76 -0.16 0.35 1.01 -0.07 -4.94 121.20 113.93 2aff s ILE 37 Ca -0.07 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 2aff s ILE 37 Cb 0.17 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 2aff s ILE 37 CO 0.72 0.32 0.06 -0.60 0.00 0.00 0.00 174.94 175.44 2aff s ARG 38 N 1.37 3.81 -0.10 2.79 3.52 -1.26 -1.57 118.95 127.52 2aff s ARG 38 Ca 0.01 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.30 2aff s ARG 38 Cb -0.15 -3.15 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 2aff s ARG 38 CO -0.10 0.37 -0.19 0.42 -0.81 0.00 0.00 175.30 174.98 2aff s ILE 39 N 0.10 2.51 0.00 4.11 1.01 -0.72 -4.99 121.20 123.22 2aff s ILE 39 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 39 Cb -0.12 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2aff s ILE 39 CO 0.01 0.55 0.91 0.00 0.00 0.00 0.00 174.94 176.41 2aff n GLN 40 N 3.26 0.84 -3.99 2.79 6.02 -1.26 -4.55 117.38 120.48 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 -1.08 -0.09 0.00 1.02 0.00 0.00 30.24 30.61 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 3.90 0.00 1.08 1.43 -1.26 -4.98 118.68 118.85 2aff s LEU 41 Ca 0.00 0.14 0.19 0.00 -1.03 0.00 0.00 54.13 53.43 2aff s LEU 41 Cb 0.00 -1.98 0.80 0.00 0.03 0.00 0.00 46.19 45.05 2aff s LEU 41 CO 0.00 0.22 1.60 -0.81 0.23 0.00 0.00 176.35 177.59 2aff n PRO 42 N 3.25 0.00 -0.24 1.29 -0.04 -1.26 -2.40 135.00 135.60 2aff n PRO 42 Ca -0.17 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2aff n PRO 42 Cb 0.53 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.50 0.64 -3.54 0.52 0.24 -1.26 -4.90 118.33 108.53 2aff n VAL 43 Ca 0.05 -0.76 -0.37 0.00 -2.04 0.00 0.00 64.34 61.21 2aff n VAL 43 Cb 0.22 0.67 -0.06 0.00 -1.47 0.00 0.00 33.84 33.20 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 -1.36 5.22 0.97 3.34 1.01 -1.01 -4.93 120.40 123.63 2aff s VAL 44 Ca 0.40 0.66 -0.13 0.00 0.00 0.00 0.00 61.98 62.91 2aff s VAL 44 Cb 0.22 -3.66 0.17 0.00 0.00 0.00 0.00 36.38 33.12 2aff s VAL 44 CO 0.30 0.47 1.13 -0.55 0.00 0.00 0.00 175.10 176.46 2aff s SER 45 N -0.21 2.99 0.16 3.32 0.15 -1.26 -4.37 113.70 114.48 2aff s SER 45 Ca 0.20 0.94 -0.12 0.00 0.70 0.00 0.00 55.95 57.67 2aff s SER 45 Cb -0.14 -1.48 0.06 0.00 -1.71 0.00 0.00 66.02 62.74 2aff s SER 45 CO 0.08 -2.88 1.71 0.11 1.20 0.00 0.00 173.24 173.46 2aff h LYS 46 N -1.72 0.85 0.00 5.44 1.57 -1.94 0.33 116.57 121.10 2aff h LYS 46 Ca -0.51 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.09 2aff h LYS 46 Cb 1.32 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 2aff h LYS 46 CO 0.57 0.75 -1.32 1.04 -0.57 0.00 0.00 179.45 179.92 2aff n GLN 47 N -4.48 0.53 0.00 3.15 6.02 -1.26 -3.85 117.38 117.49 2aff n GLN 47 Ca 0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2aff n GLN 47 Cb 0.18 -1.16 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 -1.79 0.00 -3.89 1.08 -0.00 -1.17 -3.99 115.22 105.46 2aff n HIS 48 Ca -0.02 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.04 2aff n HIS 48 Cb 0.24 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 29.97 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 -0.25 1.64 -0.10 0.00 2.20 -0.39 -0.38 119.74 122.46 2aff s LYS 50 Ca -0.03 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 2aff s LYS 50 Cb -0.02 -1.40 -0.02 0.00 -1.51 0.00 0.00 37.83 34.88 2aff s LYS 50 CO -0.00 0.13 -0.10 -1.50 -0.36 0.00 0.00 175.35 173.52 2aff s ILE 51 N 0.33 3.41 -0.09 5.43 2.07 -0.22 0.43 121.20 132.56 2aff s ILE 51 Ca -0.09 -0.56 0.04 0.00 -1.41 0.00 0.00 60.65 58.63 2aff s ILE 51 Cb -0.13 -2.42 -0.01 0.00 0.13 0.00 0.00 42.46 40.03 2aff s ILE 51 CO 0.03 0.55 -0.21 -1.61 -1.91 0.00 0.00 174.94 171.79 2aff s GLU 52 N -0.15 2.90 -0.24 3.50 2.02 0.12 -2.05 118.70 124.80 2aff s GLU 52 Ca 0.01 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 54.13 2aff s GLU 52 Cb -0.13 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.77 2aff s GLU 52 CO 0.03 0.30 -0.03 0.42 0.02 0.00 0.00 175.26 176.00 2aff s ILE 53 N 0.06 3.34 -0.04 -1.63 1.01 0.16 -0.22 121.20 123.88 2aff s ILE 53 Ca -0.09 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 59.95 2aff s ILE 53 Cb -0.15 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 2aff s ILE 53 CO 0.06 0.31 -0.19 -1.00 0.00 0.00 0.00 174.94 174.11 2aff s HIS 54 N 1.44 2.55 0.56 3.97 3.76 -0.18 -4.89 115.29 122.50 2aff s HIS 54 Ca 0.04 -0.30 0.51 0.00 -0.15 0.00 0.00 55.06 55.16 2aff s HIS 54 Cb -0.15 -1.58 1.75 0.00 1.11 0.00 0.00 32.58 33.70 2aff s HIS 54 CO -0.03 0.08 1.57 1.49 -0.85 0.00 0.00 174.74 177.00 2aff h GLU 55 N 5.45 0.00 0.13 1.40 4.81 -2.01 0.25 114.58 124.61 2aff h GLU 55 Ca -0.44 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2aff h GLU 55 Cb 1.14 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2aff h GLU 55 CO 0.49 0.00 -0.06 0.37 -0.73 0.00 0.00 179.01 179.08 2aff h GLN 56 N 0.00 -0.17 0.00 1.92 4.15 -2.02 -3.49 115.11 115.50 2aff h GLN 56 Ca 0.94 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 60.33 2aff h GLN 56 Cb 3.80 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 31.52 2aff h GLN 56 CO -0.01 -0.12 0.02 -1.91 -1.93 0.00 0.00 178.83 174.88 2aff n GLU 57 N -2.62 0.28 -4.27 1.69 4.07 0.87 -5.16 120.64 115.51 2aff n GLU 57 Ca -0.02 -0.76 -0.34 0.00 -0.06 0.00 0.00 57.16 55.97 2aff n GLU 57 Cb 0.07 0.83 -0.11 0.00 -0.06 0.00 0.00 31.44 32.17 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 -1.64 3.14 -0.10 4.31 0.00 -1.26 -1.01 121.76 125.19 2aff s ALA 58 Ca 0.07 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.28 2aff s ALA 58 Cb -0.01 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2aff s ALA 58 CO 0.05 0.21 -0.24 0.42 0.00 0.00 0.00 175.76 176.20 2aff s ILE 59 N 0.35 2.06 -0.22 0.00 1.01 0.69 0.09 121.20 125.18 2aff s ILE 59 Ca -0.02 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.52 2aff s ILE 59 Cb -0.14 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 2aff s ILE 59 CO 0.02 0.56 0.14 -0.22 0.00 0.00 0.00 174.94 175.44 2aff s LEU 60 N 0.37 4.15 -0.06 2.97 2.96 -0.01 0.16 118.68 129.22 2aff s LEU 60 Ca -0.18 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2aff s LEU 60 Cb -0.18 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 2aff s LEU 60 CO 0.08 0.13 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.09 2aff s HIS 61 N 0.66 2.68 -0.43 5.38 3.76 0.17 -1.95 115.29 125.55 2aff s HIS 61 Ca 0.08 -0.31 -0.15 0.00 -0.15 0.00 0.00 55.06 54.53 2aff s HIS 61 Cb -0.12 -1.66 0.04 0.00 1.11 0.00 0.00 32.58 31.95 2aff s HIS 61 CO 0.01 0.07 0.33 1.21 -0.85 0.00 0.00 174.74 175.51 2aff s ASN 62 N -0.48 6.10 0.00 1.40 3.84 -1.26 -1.27 114.94 123.27 2aff s ASN 62 Ca 0.06 -1.06 0.22 0.00 0.21 0.00 0.00 52.86 52.29 2aff s ASN 62 Cb -0.12 -2.16 -0.06 0.00 -0.55 0.00 0.00 41.25 38.36 2aff s ASN 62 CO 0.02 -0.52 1.03 0.49 -2.79 0.00 0.00 177.10 175.33 2aff n PHE 63 N 5.17 0.00 -2.81 0.43 3.01 -0.70 -4.84 117.46 117.72 2aff n PHE 63 Ca -0.12 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.92 2aff n PHE 63 Cb 0.46 -0.01 -0.04 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 -2.74 6.24 0.12 4.37 0.15 0.28 -4.65 113.70 117.47 2aff s SER 64 Ca 0.14 -0.68 0.12 0.00 0.70 0.00 0.00 55.95 56.23 2aff s SER 64 Cb 0.17 -2.44 -0.12 0.00 -1.71 0.00 0.00 66.02 61.92 2aff s SER 64 CO 0.71 -1.41 1.12 0.28 1.20 0.00 0.00 173.24 175.14 2aff h SER 65 N 9.53 0.00 -0.10 5.45 0.02 -1.90 -3.03 113.55 123.52 2aff h SER 65 Ca -0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 2aff h SER 65 Cb 1.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 2aff h SER 65 CO 1.16 0.77 0.03 0.74 -1.14 0.00 0.00 176.83 178.39 2aff h THR 66 N 0.00 1.18 -2.68 -2.27 2.02 -2.00 -3.40 112.91 105.76 2aff h THR 66 Ca -0.09 -0.56 -0.55 0.00 0.77 0.00 0.00 66.41 65.98 2aff h THR 66 Cb 1.67 1.37 -0.39 0.00 -1.74 0.00 0.00 68.15 69.05 2aff h THR 66 CO 0.08 0.16 -0.81 0.20 0.37 0.00 0.00 175.52 175.53 2aff s ASN 67 N -5.55 3.24 0.48 4.18 0.01 -1.25 -5.14 114.94 110.91 2aff s ASN 67 Ca -0.14 -1.70 -0.23 0.00 -0.71 0.00 0.00 52.86 50.08 2aff s ASN 67 Cb 0.06 -0.35 -0.08 0.00 0.41 0.00 0.00 41.25 41.28 2aff s ASN 67 CO 0.69 -0.38 1.22 -2.65 -1.51 0.00 0.00 177.10 174.47 2aff n PRO 68 N 4.69 1.66 -2.55 -0.60 -0.02 -1.15 -4.74 135.00 132.29 2aff n PRO 68 Ca 0.02 0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 61.71 2aff n PRO 68 Cb 0.40 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.27 3.68 -0.08 3.45 2.01 -1.26 -4.89 115.64 117.27 2aff s THR 69 Ca 0.66 1.57 -0.04 0.00 0.31 0.00 0.00 61.69 64.19 2aff s THR 69 Cb -0.48 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 2aff s THR 69 CO 0.54 0.28 0.07 -1.10 -0.69 0.00 0.00 174.62 173.73 2aff s GLN 70 N -1.71 3.19 -0.05 4.92 -0.21 -0.77 -1.90 119.66 123.13 2aff s GLN 70 Ca 0.48 -0.31 0.03 0.00 0.02 0.00 0.00 55.36 55.58 2aff s GLN 70 Cb -0.28 -2.97 0.01 0.00 1.00 0.00 0.00 33.01 30.77 2aff s GLN 70 CO 0.35 0.73 -0.12 0.08 -2.12 0.00 0.00 175.29 174.21 2aff s VAL 71 N -1.00 1.05 -1.12 1.09 1.01 0.51 0.14 120.40 122.08 2aff s VAL 71 Ca 0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2aff s VAL 71 Cb -0.12 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.33 2aff s VAL 71 CO 0.05 0.33 0.16 0.59 0.00 0.00 0.00 175.10 176.23 2aff n ASN 72 N 3.57 -3.93 -0.57 3.32 3.02 0.27 0.57 115.26 121.52 2aff n ASN 72 Ca -0.21 0.02 -0.05 0.00 -0.03 0.00 0.00 54.58 54.31 2aff n ASN 72 Cb 0.52 -3.31 -0.01 0.00 -0.61 0.00 0.00 39.78 36.38 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 -0.93 0.27 2.97 7.41 0.00 -1.26 -5.04 105.19 108.60 2aff n GLY 73 Ca -0.11 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.79 -0.05 0.35 1.61 0.15 0.19 -5.10 113.70 108.06 2aff s SER 74 Ca 0.00 0.08 -0.28 0.00 0.70 0.00 0.00 55.95 56.46 2aff s SER 74 Cb 0.00 0.17 -0.09 0.00 -1.71 0.00 0.00 66.02 64.39 2aff s SER 74 CO 0.00 -0.08 1.21 -0.69 1.20 0.00 0.00 173.24 174.88 2aff s VAL 75 N -0.20 3.04 -0.76 4.45 1.01 -1.26 0.19 120.40 126.87 2aff s VAL 75 Ca -0.03 0.98 0.03 0.00 0.00 0.00 0.00 61.98 62.96 2aff s VAL 75 Cb -0.02 -3.60 0.22 0.00 0.00 0.00 0.00 36.38 32.98 2aff s VAL 75 CO 0.00 0.18 0.73 2.30 0.00 0.00 0.00 175.10 178.32 2aff n ILE 76 N 0.61 2.52 0.24 2.22 -5.35 -0.80 -4.86 119.36 113.94 2aff n ILE 76 Ca 0.01 -5.14 0.10 0.00 -0.27 0.00 0.00 62.75 57.45 2aff n ILE 76 Cb 0.44 -2.19 0.62 0.00 -1.74 0.00 0.00 39.64 36.76 2aff n ILE 76 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2aff h ASP 77 N 5.11 0.00 -2.14 7.28 3.32 -1.94 -3.40 116.42 124.64 2aff h ASP 77 Ca 0.17 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.67 2aff h ASP 77 Cb 0.72 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.18 2aff h ASP 77 CO 0.84 0.18 -0.61 -1.83 -1.72 0.00 0.00 179.24 176.09 2aff s GLU 78 N -4.21 2.36 0.38 3.56 -1.05 -1.26 -4.83 118.70 113.65 2aff s GLU 78 Ca -0.03 -1.41 -0.28 0.00 -0.15 0.00 0.00 54.97 53.10 2aff s GLU 78 Cb 0.13 -2.20 -0.11 0.00 -0.44 0.00 0.00 34.13 31.52 2aff s GLU 78 CO 0.63 0.32 1.44 -2.30 0.95 0.00 0.00 175.26 176.29 2aff n PRO 79 N -0.97 2.51 -4.29 -4.83 -0.02 -1.26 -4.78 135.00 121.35 2aff n PRO 79 Ca -0.06 0.88 -0.19 0.00 -2.02 0.00 0.00 63.50 62.11 2aff n PRO 79 Cb 0.59 -2.58 -0.15 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.12 0.64 0.06 -1.45 1.01 -0.82 -4.99 120.40 113.73 2aff s VAL 80 Ca 0.54 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2aff s VAL 80 Cb -0.49 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 2aff s VAL 80 CO 0.63 0.21 1.17 -0.13 0.00 0.00 0.00 175.10 176.97 2aff s ARG 81 N 0.19 4.46 0.18 2.72 0.52 -1.26 -0.83 118.95 124.92 2aff s ARG 81 Ca -0.02 1.73 -0.25 0.00 -0.52 0.00 0.00 55.73 56.67 2aff s ARG 81 Cb -0.07 -3.35 -0.08 0.00 0.52 0.00 0.00 34.95 31.96 2aff s ARG 81 CO 0.00 -0.21 0.78 -0.51 0.02 0.00 0.00 175.30 175.38 2aff s LEU 82 N 0.94 4.56 0.09 2.53 1.43 0.11 -4.91 118.68 123.43 2aff s LEU 82 Ca 0.57 1.63 0.06 0.00 -1.03 0.00 0.00 54.13 55.36 2aff s LEU 82 Cb -0.29 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 2aff s LEU 82 CO 0.30 0.18 -0.15 -0.54 0.23 0.00 0.00 176.35 176.36 2aff s LYS 83 N -1.27 0.93 -0.12 1.70 1.02 -1.26 -4.46 119.74 116.27 2aff s LYS 83 Ca 0.37 -1.07 -0.34 0.00 0.02 0.00 0.00 55.97 54.95 2aff s LYS 83 Cb -0.22 -0.95 -0.12 0.00 -0.52 0.00 0.00 37.83 36.02 2aff s LYS 83 CO 0.26 0.21 1.91 1.58 -0.92 0.00 0.00 175.35 178.38 2aff n HIS 84 N 1.04 2.26 0.00 3.18 -0.00 -1.26 -0.61 115.22 119.83 2aff n HIS 84 Ca -0.19 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 2aff n HIS 84 Cb 0.55 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.89 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 4.59 1.41 3.74 1.57 0.00 -0.73 -5.00 105.19 110.78 2aff n GLY 85 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.81 6.85 -0.14 1.61 1.01 0.22 -4.83 116.67 119.58 2aff s ASP 86 Ca 0.00 2.44 -0.03 0.00 0.71 0.00 0.00 52.55 55.67 2aff s ASP 86 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.56 -0.04 -0.69 0.21 0.00 0.00 175.17 174.08 2aff s VAL 87 N 0.15 3.85 -0.17 -1.27 1.01 -1.26 -2.17 120.40 120.54 2aff s VAL 87 Ca 0.58 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 2aff s VAL 87 Cb -0.37 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2aff s VAL 87 CO 0.39 0.52 0.06 -0.63 0.00 0.00 0.00 175.10 175.43 2aff s ILE 88 N 0.09 4.78 -0.14 2.22 1.01 -0.85 -0.56 121.20 127.74 2aff s ILE 88 Ca -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.62 2aff s ILE 88 Cb -0.14 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.20 2aff s ILE 88 CO 0.03 0.48 -0.20 -0.89 0.00 0.00 0.00 174.94 174.36 2aff s THR 89 N 0.22 2.27 -0.16 2.92 2.01 0.37 -0.44 115.64 122.83 2aff s THR 89 Ca 0.04 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.14 2aff s THR 89 Cb -0.12 -1.92 0.01 0.00 0.01 0.00 0.00 72.50 70.47 2aff s THR 89 CO 0.00 0.54 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.66 2aff s ILE 90 N 0.76 2.37 0.00 1.82 1.01 0.75 -1.85 121.20 126.06 2aff s ILE 90 Ca -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2aff s ILE 90 Cb -0.16 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.32 2aff s ILE 90 CO -0.00 0.53 0.00 -0.38 0.00 0.00 0.00 174.94 175.08 2aff n ILE 91 N 4.24 0.00 -0.39 2.92 2.08 -1.26 0.33 119.36 127.28 2aff n ILE 91 Ca -0.20 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.17 2aff n ILE 91 Cb 0.51 0.00 0.17 0.00 -0.75 0.00 0.00 39.64 39.58 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 4.19 3.13 -4.53 4.38 2.03 -1.26 -4.96 116.55 119.53 2aff n ASP 92 Ca 0.00 -2.27 -0.33 0.00 0.52 0.00 0.00 54.79 52.70 2aff n ASP 92 Cb 0.00 -0.31 -0.12 0.00 -0.72 0.00 0.00 41.12 39.97 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 -1.49 2.66 0.02 -0.67 0.52 0.99 -4.62 118.95 116.36 2aff s ARG 93 Ca 0.27 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.88 2aff s ARG 93 Cb 0.17 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 2aff s ARG 93 CO 0.13 0.63 -0.07 0.45 0.02 0.00 0.00 175.30 176.46 2aff s SER 94 N -0.73 0.82 -0.13 0.23 0.15 -1.26 0.27 113.70 113.04 2aff s SER 94 Ca 0.11 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.42 2aff s SER 94 Cb -0.11 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.20 2aff s SER 94 CO 0.01 -0.08 -0.16 -0.36 1.20 0.00 0.00 173.24 173.86 2aff s PHE 95 N -0.82 2.17 -0.01 3.44 0.40 0.41 -1.67 117.98 121.91 2aff s PHE 95 Ca -0.04 -1.14 -0.23 0.00 -0.60 0.00 0.00 56.93 54.92 2aff s PHE 95 Cb -0.07 -1.57 -0.05 0.00 0.51 0.00 0.00 43.02 41.85 2aff s PHE 95 CO 0.00 -0.60 0.70 1.03 0.70 0.00 0.00 175.22 177.06 2aff s ARG 96 N 1.22 4.43 -0.22 0.44 0.52 -0.76 -2.01 118.95 122.57 2aff s ARG 96 Ca -0.01 0.92 -0.15 0.00 -0.52 0.00 0.00 55.73 55.98 2aff s ARG 96 Cb -0.14 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 2aff s ARG 96 CO -0.06 0.21 0.36 -0.47 0.02 0.00 0.00 175.30 175.35 2aff s TYR 97 N 0.27 3.34 -0.03 -0.53 5.04 -0.92 -1.96 117.35 122.57 2aff s TYR 97 Ca 0.37 0.51 -0.01 0.00 -2.44 0.00 0.00 57.07 55.50 2aff s TYR 97 Cb -0.19 -2.50 0.03 0.00 0.35 0.00 0.00 41.96 39.66 2aff s TYR 97 CO 0.20 -0.04 0.04 -1.21 -1.34 0.00 0.00 175.55 173.19 2aff s GLU 98 N 1.43 -0.02 -0.11 4.97 2.02 -0.93 -1.77 118.70 124.29 2aff s GLU 98 Ca 0.16 0.23 -0.05 0.00 0.02 0.00 0.00 54.97 55.34 2aff s GLU 98 Cb -0.15 -0.34 -0.04 0.00 0.10 0.00 0.00 34.13 33.70 2aff s GLU 98 CO 0.08 -0.21 0.08 -0.80 0.02 0.00 0.00 175.26 174.43 2aff s ASN 99 N 1.38 5.89 0.00 -0.19 0.01 -1.26 -1.77 114.94 119.00 2aff s ASN 99 Ca -0.05 0.33 0.28 0.00 -0.71 0.00 0.00 52.86 52.71 2aff s ASN 99 Cb -0.13 -1.81 1.07 0.00 0.41 0.00 0.00 41.25 40.79 2aff s ASN 99 CO -0.03 0.39 1.76 1.21 -1.51 0.00 0.00 177.10 178.92