#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 0.00 -3.55 0.52 -2.24 -1.26 -5.05 114.28 102.70 2aff n THR 4 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2aff n THR 4 Cb 0.00 -0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.25 4.02 0.07 -0.78 0.52 -1.26 -3.70 118.95 116.57 2aff s ARG 5 Ca 0.00 -0.18 -0.08 0.00 -0.52 0.00 0.00 55.73 54.95 2aff s ARG 5 Cb 0.00 -3.61 -0.00 0.00 0.52 0.00 0.00 34.95 31.86 2aff s ARG 5 CO 0.00 -0.11 0.16 -0.98 0.02 0.00 0.00 175.30 174.39 2aff s ARG 6 N 1.56 0.77 0.05 3.54 1.70 -0.61 0.16 118.95 126.11 2aff s ARG 6 Ca 0.10 -0.89 0.09 0.00 -0.47 0.00 0.00 55.73 54.56 2aff s ARG 6 Cb -0.15 0.31 -0.03 0.00 -0.57 0.00 0.00 34.95 34.51 2aff s ARG 6 CO 0.08 -0.23 -0.24 -0.51 -1.08 0.00 0.00 175.30 173.33 2aff s LEU 7 N -2.63 2.31 -0.16 -1.89 1.43 -0.60 -2.12 118.68 115.02 2aff s LEU 7 Ca 0.02 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2aff s LEU 7 Cb 0.03 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 2aff s LEU 7 CO -0.09 0.25 -0.11 -0.69 0.23 0.00 0.00 176.35 175.94 2aff s VAL 8 N -0.85 3.00 0.15 -1.59 1.01 -0.88 -0.72 120.40 120.52 2aff s VAL 8 Ca 0.13 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2aff s VAL 8 Cb -0.10 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 2aff s VAL 8 CO 0.03 0.49 1.16 -0.89 0.00 0.00 0.00 175.10 175.89 2aff s THR 9 N 0.84 3.80 -0.15 3.92 2.01 -0.89 -2.11 115.64 123.06 2aff s THR 9 Ca -0.04 1.47 -0.06 0.00 0.31 0.00 0.00 61.69 63.38 2aff s THR 9 Cb -0.15 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2aff s THR 9 CO 0.00 0.21 0.06 -0.63 -0.69 0.00 0.00 174.62 173.58 2aff s ILE 10 N 0.13 4.77 0.39 1.82 1.01 -0.80 -1.44 121.20 127.07 2aff s ILE 10 Ca 0.53 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 61.02 2aff s ILE 10 Cb -0.31 -3.10 -0.07 0.00 0.01 0.00 0.00 42.46 39.00 2aff s ILE 10 CO 0.34 0.52 0.75 -0.54 0.00 0.00 0.00 174.94 176.01 2aff s LYS 11 N -0.16 3.79 0.56 2.79 1.02 0.24 -4.47 119.74 123.50 2aff s LYS 11 Ca 0.07 0.45 0.27 0.00 0.02 0.00 0.00 55.97 56.78 2aff s LYS 11 Cb -0.12 -2.42 1.49 0.00 -0.52 0.00 0.00 37.83 36.26 2aff s LYS 11 CO 0.01 0.01 2.01 0.00 -0.92 0.00 0.00 175.35 176.46 2aff h ARG 12 N 1.40 0.00 -0.00 1.68 3.08 -1.87 0.85 114.38 119.53 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 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2aff h ARG 12 CO 0.64 0.00 -0.03 0.43 -1.07 0.00 0.00 179.97 179.94 2aff n SER 13 N -4.06 0.10 -0.11 7.04 7.64 -1.26 -4.88 113.62 118.09 2aff n SER 13 Ca 0.06 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2aff n SER 13 Cb 0.52 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 1.29 1.04 3.25 0.23 0.00 0.30 -5.08 105.19 106.21 2aff n GLY 14 Ca 0.14 -0.45 -0.30 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 -2.23 1.94 0.12 1.61 1.01 -1.22 -4.84 120.40 116.80 2aff s VAL 15 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 2aff s VAL 15 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 2aff s VAL 15 CO 0.00 0.54 1.10 1.51 0.00 0.00 0.00 175.10 178.26 2aff s ASP 16 N -0.15 7.24 0.00 3.32 -4.77 -1.26 0.81 116.67 121.85 2aff s ASP 16 Ca -0.03 2.00 0.00 0.00 -3.30 0.00 0.00 52.55 51.22 2aff s ASP 16 Cb -0.13 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.11 2aff s ASP 16 CO 0.03 -0.29 0.00 0.61 0.70 0.00 0.00 175.17 176.22 2aff n GLY 17 N 2.50 2.01 3.78 2.12 0.00 -0.52 -4.93 105.19 110.15 2aff n GLY 17 Ca 0.05 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 3.12 3.93 -0.02 1.61 0.04 -1.26 -4.72 135.00 137.70 2aff s PRO 18 Ca 0.00 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.61 2aff s PRO 18 Cb 0.00 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2aff s PRO 18 CO 0.00 -0.35 -0.04 -1.01 0.04 0.00 0.00 177.00 175.63 2aff s HIS 19 N -1.71 2.96 -0.42 0.56 3.76 -1.26 -2.09 115.29 117.09 2aff s HIS 19 Ca 0.62 0.02 -0.03 0.00 -0.15 0.00 0.00 55.06 55.52 2aff s HIS 19 Cb -0.22 -1.65 0.11 0.00 1.11 0.00 0.00 32.58 31.92 2aff s HIS 19 CO 0.28 0.40 0.22 0.12 -0.85 0.00 0.00 174.74 174.90 2aff s PHE 20 N -0.98 3.57 0.13 1.40 5.36 0.10 -4.96 117.98 122.60 2aff s PHE 20 Ca 0.17 -2.37 -0.31 0.00 -0.96 0.00 0.00 56.93 53.46 2aff s PHE 20 Cb -0.11 -3.25 -0.08 0.00 -0.34 0.00 0.00 43.02 39.24 2aff s PHE 20 CO 0.07 -0.97 1.31 -1.25 -1.46 0.00 0.00 175.22 172.92 2aff s PRO 21 N 1.14 4.38 -1.28 10.12 0.04 -1.26 -1.55 135.00 146.58 2aff s PRO 21 Ca 0.08 1.99 -0.14 0.00 0.04 0.00 0.00 61.00 62.97 2aff s PRO 21 Cb -0.23 -3.25 0.12 0.00 0.04 0.00 0.00 34.50 31.18 2aff s PRO 21 CO -0.04 -0.32 1.69 1.28 0.04 0.00 0.00 177.00 179.65 2aff n LEU 22 N 3.50 5.54 0.01 -3.56 4.77 0.12 -4.61 117.00 122.77 2aff n LEU 22 Ca 0.09 -4.28 0.13 0.00 -0.03 0.00 0.00 56.01 51.92 2aff n LEU 22 Cb 0.43 -1.64 0.39 0.00 -2.33 0.00 0.00 43.42 40.27 2aff n LEU 22 CO 0.57 0.68 0.66 -1.54 -1.33 0.00 0.00 177.39 176.44 2aff n SER 23 N 6.31 0.34 -4.83 -1.43 3.41 -1.26 -4.67 113.62 111.49 2aff n SER 23 Ca 0.43 0.11 -0.33 0.00 -0.26 0.00 0.00 58.87 58.82 2aff n SER 23 Cb 0.42 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 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 -3.17 4.09 0.60 1.04 1.43 -1.26 -5.00 118.68 116.42 2aff s LEU 24 Ca 0.12 0.22 0.38 0.00 -1.03 0.00 0.00 54.13 53.82 2aff s LEU 24 Cb 0.18 -2.45 1.82 0.00 0.03 0.00 0.00 46.19 45.77 2aff s LEU 24 CO 0.63 0.26 2.15 0.77 0.23 0.00 0.00 176.35 180.39 2aff h SER 25 N 3.89 0.00 -3.63 2.29 4.64 -1.92 -3.42 113.55 115.40 2aff h SER 25 Ca -0.49 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.42 2aff h SER 25 Cb 1.18 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.95 2aff h SER 25 CO 0.66 0.00 -0.78 -0.89 -0.87 0.00 0.00 176.83 174.95 2aff s THR 26 N -3.87 0.67 -0.19 2.95 2.01 -1.26 -0.80 115.64 115.14 2aff s THR 26 Ca -0.01 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.74 2aff s THR 26 Cb 0.11 -0.63 0.03 0.00 0.01 0.00 0.00 72.50 72.02 2aff s THR 26 CO 0.49 0.23 -0.14 0.00 -0.69 0.00 0.00 174.62 174.51 2aff s LEU 28 N 1.36 2.76 -0.14 0.00 2.96 -1.26 -0.50 118.68 123.86 2aff s LEU 28 Ca 0.01 -0.32 -0.03 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 44.88 2aff s LEU 28 CO -0.10 0.15 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.68 2aff s PHE 29 N 0.42 2.99 -4.89 5.38 0.40 0.95 -0.06 117.98 123.17 2aff s PHE 29 Ca -0.09 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 2aff s PHE 29 Cb -0.16 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.47 2aff s PHE 29 CO 0.05 0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.38 2aff n GLY 30 N 3.32 -1.91 0.08 4.36 0.00 -0.65 -2.56 105.19 107.84 2aff n GLY 30 Ca -0.18 -1.26 -0.04 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 0.00 -6.33 1.61 3.08 -1.37 -3.19 114.38 108.18 2aff h ARG 31 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2aff h ARG 31 Cb 0.00 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.20 2aff h ARG 31 CO 0.00 0.81 -0.44 0.41 -1.07 0.00 0.00 179.97 179.69 2aff n GLY 32 N 1.33 -1.58 0.25 0.04 0.00 -1.01 -4.88 105.19 99.34 2aff n GLY 32 Ca -0.01 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.69 1.28 -0.01 -0.61 6.09 -1.90 -2.08 117.51 120.97 2aff h ILE 33 Ca -0.41 -1.25 0.00 0.00 -1.37 0.00 0.00 64.86 61.83 2aff h ILE 33 Cb 1.40 1.21 -0.00 0.00 0.47 0.00 0.00 36.82 39.90 2aff h ILE 33 CO 0.50 0.42 0.05 -0.08 -3.07 0.00 0.00 178.15 175.98 2aff h GLU 34 N 0.65 0.00 -6.37 2.19 4.81 -1.96 -3.42 114.58 110.49 2aff h GLU 34 Ca 0.10 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.74 2aff h GLU 34 Cb 0.68 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.09 2aff h GLU 34 CO 0.05 0.00 1.02 0.00 -0.73 0.00 0.00 179.01 179.35 2aff h ASP 36 N 8.27 0.11 -3.15 0.00 3.32 -0.73 -3.38 116.42 120.86 2aff h ASP 36 Ca -0.47 -0.01 -0.60 0.00 0.02 0.00 0.00 57.03 55.96 2aff h ASP 36 Cb 1.26 -0.03 -0.36 0.00 0.22 0.00 0.00 39.33 40.43 2aff h ASP 36 CO 0.93 0.18 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.17 2aff s ILE 37 N -4.91 1.56 -0.10 0.35 -1.09 0.61 -4.94 121.20 112.68 2aff s ILE 37 Ca -0.05 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.72 2aff s ILE 37 Cb 0.16 -1.46 -0.03 0.00 -1.58 0.00 0.00 42.46 39.56 2aff s ILE 37 CO 0.70 0.46 -0.04 -0.13 -1.23 0.00 0.00 174.94 174.70 2aff s ARG 38 N 1.38 3.08 -0.10 2.79 0.52 -1.26 -1.64 118.95 123.73 2aff s ARG 38 Ca 0.03 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 2aff s ARG 38 Cb -0.13 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.59 2aff s ARG 38 CO -0.09 0.56 -0.22 0.42 0.02 0.00 0.00 175.30 175.99 2aff s ILE 39 N -0.52 1.93 0.00 1.52 1.01 -1.20 -4.97 121.20 118.98 2aff s ILE 39 Ca 0.08 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2aff s ILE 39 Cb -0.12 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.67 2aff s ILE 39 CO 0.02 0.53 0.92 0.00 0.00 0.00 0.00 174.94 176.41 2aff n GLN 40 N 3.64 0.74 -3.63 2.79 6.02 -1.26 -4.63 117.38 121.05 2aff n GLN 40 Ca -0.20 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.44 2aff n GLN 40 Cb 0.53 -1.13 -0.08 0.00 1.02 0.00 0.00 30.24 30.58 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 4.21 0.00 1.08 1.43 -1.26 -4.96 118.68 119.17 2aff s LEU 41 Ca 0.00 0.33 0.20 0.00 -1.03 0.00 0.00 54.13 53.63 2aff s LEU 41 Cb 0.00 -2.22 1.02 0.00 0.03 0.00 0.00 46.19 45.02 2aff s LEU 41 CO 0.00 0.12 1.62 -0.81 0.23 0.00 0.00 176.35 177.51 2aff n PRO 42 N 3.70 0.31 -0.20 1.29 -0.04 -1.26 -2.42 135.00 136.37 2aff n PRO 42 Ca -0.14 0.09 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 2aff n PRO 42 Cb 0.52 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.27 0.87 -3.58 0.52 0.24 -1.26 -4.96 118.33 108.90 2aff n VAL 43 Ca 0.10 -0.94 -0.37 0.00 -2.04 0.00 0.00 64.34 61.09 2aff n VAL 43 Cb 0.15 0.60 -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 -0.69 -2.14 0.00 0.00 176.83 174.00 2aff s VAL 44 N -1.03 5.19 0.96 3.34 1.01 -1.02 -4.99 120.40 123.87 2aff s VAL 44 Ca 0.29 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.81 2aff s VAL 44 Cb 0.16 -3.64 0.17 0.00 0.00 0.00 0.00 36.38 33.07 2aff s VAL 44 CO 0.21 0.54 1.09 -0.44 0.00 0.00 0.00 175.10 176.49 2aff s SER 45 N -0.69 2.90 0.18 3.32 0.01 -1.26 -4.57 113.70 113.58 2aff s SER 45 Ca 0.21 1.36 -0.11 0.00 1.31 0.00 0.00 55.95 58.72 2aff s SER 45 Cb -0.15 -2.04 0.09 0.00 0.21 0.00 0.00 66.02 64.13 2aff s SER 45 CO 0.09 -2.98 1.71 0.11 0.41 0.00 0.00 173.24 172.58 2aff h LYS 46 N -1.79 0.98 0.00 12.44 1.57 -1.94 -2.28 116.57 125.55 2aff h LYS 46 Ca -0.52 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.00 2aff h LYS 46 Cb 1.31 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2aff h LYS 46 CO 0.55 0.86 -1.26 1.04 -0.57 0.00 0.00 179.45 180.07 2aff n GLN 47 N -4.37 1.78 0.00 3.15 6.02 -1.26 -2.40 117.38 120.30 2aff n GLN 47 Ca 0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2aff n GLN 47 Cb 0.21 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.36 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 -1.93 0.00 -4.24 1.08 -0.00 -1.16 -3.81 115.22 105.17 2aff n HIS 48 Ca -0.04 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 57.97 2aff n HIS 48 Cb 0.40 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.12 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 -0.08 0.93 -0.09 0.00 2.20 -0.85 -0.03 119.74 121.82 2aff s LYS 50 Ca 0.02 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.40 2aff s LYS 50 Cb -0.03 -0.87 -0.02 0.00 -1.51 0.00 0.00 37.83 35.39 2aff s LYS 50 CO -0.00 0.05 -0.12 0.42 -0.36 0.00 0.00 175.35 175.34 2aff s ILE 51 N 0.41 3.20 -0.10 5.43 1.01 0.34 0.41 121.20 131.91 2aff s ILE 51 Ca -0.06 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 59.97 2aff s ILE 51 Cb -0.10 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 2aff s ILE 51 CO 0.01 0.56 -0.19 -0.70 0.00 0.00 0.00 174.94 174.61 2aff s GLU 52 N -0.28 3.01 -0.28 2.79 2.12 0.31 -1.65 118.70 124.71 2aff s GLU 52 Ca 0.02 -0.80 -0.09 0.00 0.36 0.00 0.00 54.97 54.46 2aff s GLU 52 Cb -0.13 -2.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.84 2aff s GLU 52 CO 0.03 0.28 0.14 0.42 -0.54 0.00 0.00 175.26 175.58 2aff s ILE 53 N 0.13 4.72 -0.08 -3.70 -1.09 0.02 -1.07 121.20 120.13 2aff s ILE 53 Ca -0.10 -0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 2aff s ILE 53 Cb -0.16 -3.29 -0.01 0.00 -1.58 0.00 0.00 42.46 37.42 2aff s ILE 53 CO 0.06 0.22 -0.20 -1.00 -1.23 0.00 0.00 174.94 172.79 2aff s HIS 54 N 1.66 2.58 0.46 3.97 3.76 0.55 -4.94 115.29 123.33 2aff s HIS 54 Ca 0.06 -0.65 0.34 0.00 -0.15 0.00 0.00 55.06 54.66 2aff s HIS 54 Cb -0.16 -1.67 1.53 0.00 1.11 0.00 0.00 32.58 33.38 2aff s HIS 54 CO 0.07 -0.17 1.58 1.49 -0.85 0.00 0.00 174.74 176.85 2aff h GLU 55 N 6.17 0.01 0.26 1.40 4.81 -2.02 0.27 114.58 125.48 2aff h GLU 55 Ca -0.31 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 2aff h GLU 55 Cb 1.19 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2aff h GLU 55 CO 0.50 0.00 -0.13 0.37 -0.73 0.00 0.00 179.01 179.02 2aff h GLN 56 N 0.01 -0.34 0.00 1.92 4.15 -2.02 -3.48 115.11 115.34 2aff h GLN 56 Ca 0.89 0.02 0.00 0.00 0.77 0.00 0.00 58.65 60.33 2aff h GLN 56 Cb 2.94 0.08 0.00 0.00 0.21 0.00 0.00 27.48 30.71 2aff h GLN 56 CO -0.42 -0.23 0.00 -1.91 -1.93 0.00 0.00 178.83 174.34 2aff n GLU 57 N -3.15 0.00 -5.20 1.69 4.07 0.96 -5.17 120.64 113.84 2aff n GLU 57 Ca -0.04 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.74 2aff n GLU 57 Cb 0.14 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.36 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 -1.48 2.23 -0.09 4.31 0.00 -1.26 -0.33 121.76 125.13 2aff s ALA 58 Ca 0.00 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.98 2aff s ALA 58 Cb 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.37 2aff s ALA 58 CO 0.00 0.40 -0.24 0.42 0.00 0.00 0.00 175.76 176.34 2aff s ILE 59 N -0.11 2.04 -0.20 0.00 1.01 -0.23 0.31 121.20 124.02 2aff s ILE 59 Ca -0.05 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 2aff s ILE 59 Cb -0.14 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 2aff s ILE 59 CO 0.04 0.56 0.19 -0.22 0.00 0.00 0.00 174.94 175.51 2aff s LEU 60 N 0.27 4.19 -0.11 2.97 2.96 0.16 -0.53 118.68 128.58 2aff s LEU 60 Ca -0.17 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2aff s LEU 60 Cb -0.17 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 2aff s LEU 60 CO 0.08 0.11 -0.05 -1.00 -1.32 0.00 0.00 176.35 174.17 2aff s HIS 61 N 0.63 2.98 -0.51 5.38 3.76 0.17 -2.18 115.29 125.52 2aff s HIS 61 Ca 0.11 -0.16 -0.18 0.00 -0.15 0.00 0.00 55.06 54.67 2aff s HIS 61 Cb -0.12 -1.84 0.07 0.00 1.11 0.00 0.00 32.58 31.80 2aff s HIS 61 CO 0.02 0.13 0.58 1.21 -0.85 0.00 0.00 174.74 175.83 2aff s ASN 62 N -0.19 6.20 0.00 1.40 3.84 -1.26 -2.01 114.94 122.92 2aff s ASN 62 Ca 0.03 -1.09 0.22 0.00 0.21 0.00 0.00 52.86 52.24 2aff s ASN 62 Cb -0.13 -2.27 -0.03 0.00 -0.55 0.00 0.00 41.25 38.27 2aff s ASN 62 CO 0.03 -0.87 1.03 0.49 -2.79 0.00 0.00 177.10 174.98 2aff n PHE 63 N 5.96 0.01 -2.45 0.43 3.01 -0.05 -4.83 117.46 119.54 2aff n PHE 63 Ca -0.08 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.98 2aff n PHE 63 Cb 0.44 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.79 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 -3.08 6.01 0.07 4.37 0.15 -0.24 -4.62 113.70 116.36 2aff s SER 64 Ca 0.08 -0.40 -0.14 0.00 0.70 0.00 0.00 55.95 56.18 2aff s SER 64 Cb 0.16 -2.56 -0.24 0.00 -1.71 0.00 0.00 66.02 61.68 2aff s SER 64 CO 0.82 -1.92 1.18 0.28 1.20 0.00 0.00 173.24 174.80 2aff h SER 65 N 10.90 0.89 -0.47 5.45 0.02 -1.91 -2.75 113.55 125.69 2aff h SER 65 Ca -0.23 -0.75 -0.10 0.00 -0.84 0.00 0.00 61.79 59.87 2aff h SER 65 Cb 1.07 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2aff h SER 65 CO 1.28 1.53 -0.11 0.74 -1.14 0.00 0.00 176.83 179.13 2aff h THR 66 N 0.36 1.27 -2.61 -2.27 2.02 -2.01 -3.40 112.91 106.27 2aff h THR 66 Ca -0.13 -1.23 -0.55 0.00 0.77 0.00 0.00 66.41 65.26 2aff h THR 66 Cb 1.70 1.10 -0.39 0.00 -1.74 0.00 0.00 68.15 68.82 2aff h THR 66 CO 0.20 0.43 -0.82 0.20 0.37 0.00 0.00 175.52 175.90 2aff s ASN 67 N -6.52 3.03 0.56 4.18 0.01 -1.24 -5.14 114.94 109.82 2aff s ASN 67 Ca -0.12 -1.85 -0.20 0.00 -0.71 0.00 0.00 52.86 49.97 2aff s ASN 67 Cb 0.11 -0.32 -0.06 0.00 0.41 0.00 0.00 41.25 41.40 2aff s ASN 67 CO 0.84 -0.35 1.12 -2.65 -1.51 0.00 0.00 177.10 174.56 2aff n PRO 68 N 4.45 1.25 -2.36 -0.60 -0.02 -1.04 -4.62 135.00 132.07 2aff n PRO 68 Ca 0.06 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 2aff n PRO 68 Cb 0.39 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.39 3.42 -0.09 3.45 2.01 -1.26 -4.85 115.64 116.93 2aff s THR 69 Ca 0.73 1.27 -0.06 0.00 0.31 0.00 0.00 61.69 63.95 2aff s THR 69 Cb -0.44 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2aff s THR 69 CO 0.49 0.24 0.14 -1.10 -0.69 0.00 0.00 174.62 173.70 2aff s GLN 70 N -0.71 3.41 -0.03 4.92 -0.21 0.10 -2.33 119.66 124.81 2aff s GLN 70 Ca 0.50 -0.20 0.04 0.00 0.02 0.00 0.00 55.36 55.73 2aff s GLN 70 Cb -0.34 -3.14 -0.00 0.00 1.00 0.00 0.00 33.01 30.53 2aff s GLN 70 CO 0.40 0.75 -0.14 0.08 -2.12 0.00 0.00 175.29 174.26 2aff s VAL 71 N -1.10 1.17 -1.10 1.09 1.01 0.41 0.21 120.40 122.09 2aff s VAL 71 Ca 0.18 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 2aff s VAL 71 Cb -0.12 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.27 2aff s VAL 71 CO 0.08 0.34 0.17 0.59 0.00 0.00 0.00 175.10 176.28 2aff n ASN 72 N 3.15 -3.84 -0.71 3.32 3.02 -0.23 0.58 115.26 120.56 2aff n ASN 72 Ca -0.18 0.01 -0.06 0.00 -0.03 0.00 0.00 54.58 54.32 2aff n ASN 72 Cb 0.54 -3.23 -0.00 0.00 -0.61 0.00 0.00 39.78 36.47 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 -0.94 0.16 2.93 7.41 0.00 -1.26 -5.04 105.19 108.46 2aff n GLY 73 Ca -0.10 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 2aff n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aff s SER 74 N -2.73 -0.03 0.20 1.61 1.04 0.20 -5.11 113.70 108.88 2aff s SER 74 Ca 0.00 0.05 -0.30 0.00 0.48 0.00 0.00 55.95 56.18 2aff s SER 74 Cb 0.00 0.10 -0.08 0.00 0.10 0.00 0.00 66.02 66.14 2aff s SER 74 CO 0.00 -0.05 1.12 -0.69 0.98 0.00 0.00 173.24 174.60 2aff s VAL 75 N -0.12 3.73 -0.07 5.02 1.01 -1.26 0.15 120.40 128.87 2aff s VAL 75 Ca -0.02 1.54 -0.02 0.00 0.00 0.00 0.00 61.98 63.48 2aff s VAL 75 Cb -0.01 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.42 2aff s VAL 75 CO 0.00 0.28 0.03 -0.51 0.00 0.00 0.00 175.10 174.90 2aff s ILE 76 N -0.39 0.20 -2.74 2.22 -1.16 -0.98 -4.91 121.20 113.44 2aff s ILE 76 Ca 0.49 0.20 0.22 0.00 -0.51 0.00 0.00 60.65 61.06 2aff s ILE 76 Cb -0.30 -0.42 0.16 0.00 0.61 0.00 0.00 42.46 42.51 2aff s ILE 76 CO 0.36 0.21 1.20 -0.90 -2.81 0.00 0.00 174.94 173.00 2aff n ASP 77 N 5.20 2.80 -4.55 4.50 5.75 -1.26 -4.25 116.55 124.74 2aff n ASP 77 Ca -0.06 -1.90 -0.26 0.00 -0.01 0.00 0.00 54.79 52.56 2aff n ASP 77 Cb 0.50 0.04 -0.10 0.00 -1.03 0.00 0.00 41.12 40.53 2aff n ASP 77 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2aff s GLU 78 N -1.92 1.83 0.41 0.11 -1.05 -1.26 -4.79 118.70 112.02 2aff s GLU 78 Ca 0.26 -1.94 -0.26 0.00 -0.15 0.00 0.00 54.97 52.87 2aff s GLU 78 Cb 0.19 -1.71 -0.10 0.00 -0.44 0.00 0.00 34.13 32.07 2aff s GLU 78 CO 0.30 0.14 1.36 -2.30 0.95 0.00 0.00 175.26 175.71 2aff n PRO 79 N -0.80 2.17 -3.87 -4.83 -0.02 -1.26 -4.69 135.00 121.70 2aff n PRO 79 Ca -0.05 0.77 -0.12 0.00 -2.02 0.00 0.00 63.50 62.08 2aff n PRO 79 Cb 0.64 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 2aff n PRO 79 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2aff s VAL 80 N -1.17 0.00 0.02 -1.45 0.11 -0.93 -5.00 120.40 111.99 2aff s VAL 80 Ca 0.59 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.31 2aff s VAL 80 Cb -0.49 -0.03 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 2aff s VAL 80 CO 0.59 -0.02 1.02 -0.13 -3.33 0.00 0.00 175.10 173.24 2aff s ARG 81 N -0.04 4.55 0.25 1.54 0.52 -1.26 -0.67 118.95 123.84 2aff s ARG 81 Ca -0.00 1.48 -0.30 0.00 -0.52 0.00 0.00 55.73 56.39 2aff s ARG 81 Cb -0.00 -3.43 -0.09 0.00 0.52 0.00 0.00 34.95 31.94 2aff s ARG 81 CO -0.00 -0.07 0.97 -0.51 0.02 0.00 0.00 175.30 175.71 2aff s LEU 82 N 0.95 4.62 0.07 2.53 1.43 0.15 -4.92 118.68 123.50 2aff s LEU 82 Ca 0.53 2.01 0.06 0.00 -1.03 0.00 0.00 54.13 55.69 2aff s LEU 82 Cb -0.23 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 2aff s LEU 82 CO 0.28 0.09 -0.15 -0.54 0.23 0.00 0.00 176.35 176.26 2aff s LYS 83 N -1.27 0.88 -0.15 1.70 1.02 -1.26 -4.51 119.74 116.15 2aff s LYS 83 Ca 0.42 -0.96 -0.33 0.00 0.02 0.00 0.00 55.97 55.12 2aff s LYS 83 Cb -0.27 -0.93 -0.10 0.00 -0.52 0.00 0.00 37.83 36.01 2aff s LYS 83 CO 0.33 0.21 2.00 1.58 -0.92 0.00 0.00 175.35 178.56 2aff n HIS 84 N 1.34 2.16 0.00 3.18 -0.00 -1.26 -0.17 115.22 120.47 2aff n HIS 84 Ca -0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.50 2aff n HIS 84 Cb 0.54 -2.67 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 5.02 2.14 3.72 1.57 0.00 -0.87 -5.02 105.19 111.75 2aff n GLY 85 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.60 6.76 -0.13 1.61 -1.08 0.76 -4.80 116.67 118.20 2aff s ASP 86 Ca 0.00 2.44 -0.05 0.00 -0.52 0.00 0.00 52.55 54.42 2aff s ASP 86 Cb 0.00 -2.59 -0.04 0.00 -1.46 0.00 0.00 42.92 38.83 2aff s ASP 86 CO 0.00 -0.68 0.04 -0.69 0.52 0.00 0.00 175.17 174.36 2aff s VAL 87 N 0.87 4.63 -0.18 1.11 1.01 -1.26 -1.92 120.40 124.66 2aff s VAL 87 Ca 0.64 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.44 2aff s VAL 87 Cb -0.39 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2aff s VAL 87 CO 0.33 0.55 0.05 -0.63 0.00 0.00 0.00 175.10 175.40 2aff s ILE 88 N -0.35 4.72 -0.14 2.22 1.01 -0.67 -1.06 121.20 126.93 2aff s ILE 88 Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.69 2aff s ILE 88 Cb -0.12 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.25 2aff s ILE 88 CO 0.02 0.47 -0.18 -0.89 0.00 0.00 0.00 174.94 174.36 2aff s THR 89 N 0.32 1.79 -0.19 2.92 2.01 0.57 -0.23 115.64 122.84 2aff s THR 89 Ca 0.03 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 2aff s THR 89 Cb -0.12 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 2aff s THR 89 CO 0.00 0.50 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.78 2aff s ILE 90 N 1.05 3.82 0.00 1.82 1.01 0.93 -0.72 121.20 129.11 2aff s ILE 90 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2aff s ILE 90 Cb -0.14 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.62 2aff s ILE 90 CO -0.05 0.45 0.00 -0.38 0.00 0.00 0.00 174.94 174.96 2aff n ILE 91 N 4.06 0.00 -0.37 2.92 5.41 -1.26 0.36 119.36 130.48 2aff n ILE 91 Ca -0.17 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.66 2aff n ILE 91 Cb 0.52 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.70 2aff n ILE 91 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2aff n ASP 92 N 1.48 3.64 -4.14 4.38 5.75 -1.26 -4.96 116.55 121.44 2aff n ASP 92 Ca 0.00 -2.14 -0.20 0.00 -0.01 0.00 0.00 54.79 52.44 2aff n ASP 92 Cb 0.00 -0.40 -0.13 0.00 -1.03 0.00 0.00 41.12 39.56 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2aff s ARG 93 N -1.26 0.93 0.03 0.11 0.52 1.14 -4.72 118.95 115.70 2aff s ARG 93 Ca 0.38 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.85 2aff s ARG 93 Cb 0.22 -0.93 -0.02 0.00 0.52 0.00 0.00 34.95 34.73 2aff s ARG 93 CO 0.23 0.23 -0.01 -1.54 0.02 0.00 0.00 175.30 174.23 2aff s SER 94 N -1.06 0.29 -0.07 0.23 1.04 -1.26 0.31 113.70 113.18 2aff s SER 94 Ca 0.02 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 55.84 2aff s SER 94 Cb -0.08 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.21 2aff s SER 94 CO 0.01 -0.41 -0.10 -0.36 0.98 0.00 0.00 173.24 173.36 2aff s PHE 95 N -2.25 1.36 0.05 5.02 0.40 0.68 -1.91 117.98 121.33 2aff s PHE 95 Ca -0.08 -0.54 -0.27 0.00 -0.60 0.00 0.00 56.93 55.44 2aff s PHE 95 Cb -0.04 -1.05 -0.05 0.00 0.51 0.00 0.00 43.02 42.39 2aff s PHE 95 CO -0.04 -0.32 0.85 1.03 0.70 0.00 0.00 175.22 177.43 2aff s ARG 96 N 0.97 4.56 -0.19 0.44 0.52 -0.90 -1.67 118.95 122.68 2aff s ARG 96 Ca -0.09 1.21 -0.16 0.00 -0.52 0.00 0.00 55.73 56.17 2aff s ARG 96 Cb -0.15 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 2aff s ARG 96 CO 0.00 0.20 0.38 -0.47 0.02 0.00 0.00 175.30 175.44 2aff s TYR 97 N 0.16 3.39 -0.08 -0.53 5.04 -0.81 -2.08 117.35 122.44 2aff s TYR 97 Ca 0.43 0.62 -0.02 0.00 -2.44 0.00 0.00 57.07 55.66 2aff s TYR 97 Cb -0.21 -2.49 0.03 0.00 0.35 0.00 0.00 41.96 39.63 2aff s TYR 97 CO 0.25 0.04 0.01 -2.00 -1.34 0.00 0.00 175.55 172.51 2aff s GLU 98 N 1.15 0.60 0.00 4.97 2.12 -0.90 -2.05 118.70 124.59 2aff s GLU 98 Ca 0.19 0.06 0.18 0.00 0.36 0.00 0.00 54.97 55.76 2aff s GLU 98 Cb -0.14 -1.10 0.39 0.00 0.26 0.00 0.00 34.13 33.54 2aff s GLU 98 CO 0.07 -0.34 1.31 0.27 -0.54 0.00 0.00 175.26 176.04 2aff n ASN 99 N 5.14 3.22 0.00 -1.70 0.23 -1.26 -1.57 115.26 119.32 2aff n ASN 99 Ca -0.07 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 2aff n ASN 99 Cb 0.50 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 2aff n ASN 99 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54