#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 1.59 -3.10 0.52 -2.24 -1.26 -4.85 114.28 104.94 2aff n THR 4 Ca 0.00 -0.47 -0.40 0.00 -2.27 0.00 0.00 64.05 60.91 2aff n THR 4 Cb 0.00 -1.71 -0.05 0.00 -2.10 0.00 0.00 70.33 66.47 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 -2.50 4.27 0.03 -0.78 0.52 -1.26 -0.12 118.95 119.09 2aff s ARG 5 Ca -0.31 0.68 0.04 0.00 -0.52 0.00 0.00 55.73 55.62 2aff s ARG 5 Cb 0.09 -3.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 2aff s ARG 5 CO 0.62 -0.17 -0.13 1.03 0.02 0.00 0.00 175.30 176.68 2aff s ARG 6 N 1.65 0.89 -0.02 3.54 0.52 -0.92 -2.17 118.95 122.44 2aff s ARG 6 Ca 0.31 -0.65 0.06 0.00 -0.52 0.00 0.00 55.73 54.93 2aff s ARG 6 Cb -0.16 -0.87 -0.02 0.00 0.52 0.00 0.00 34.95 34.41 2aff s ARG 6 CO 0.12 0.22 -0.20 -0.51 0.02 0.00 0.00 175.30 174.94 2aff s LEU 7 N -0.92 2.40 -0.15 2.53 1.43 -0.76 -2.26 118.68 120.94 2aff s LEU 7 Ca 0.01 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2aff s LEU 7 Cb -0.07 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 2aff s LEU 7 CO 0.01 0.32 -0.11 -0.69 0.23 0.00 0.00 176.35 176.11 2aff s VAL 8 N -0.72 3.16 0.08 -1.59 1.01 -0.83 -0.05 120.40 121.47 2aff s VAL 8 Ca 0.11 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 2aff s VAL 8 Cb -0.10 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 2aff s VAL 8 CO 0.01 0.50 0.85 -0.89 0.00 0.00 0.00 175.10 175.56 2aff s THR 9 N 0.61 4.60 -0.12 3.92 2.01 -0.84 -1.68 115.64 124.14 2aff s THR 9 Ca -0.06 1.82 -0.04 0.00 0.31 0.00 0.00 61.69 63.72 2aff s THR 9 Cb -0.15 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2aff s THR 9 CO 0.03 0.36 0.03 -0.63 -0.69 0.00 0.00 174.62 173.72 2aff s ILE 10 N -0.15 4.51 0.45 1.82 1.01 -0.57 -1.25 121.20 127.03 2aff s ILE 10 Ca 0.42 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.87 2aff s ILE 10 Cb -0.22 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 2aff s ILE 10 CO 0.26 0.57 0.72 -0.54 0.00 0.00 0.00 174.94 175.95 2aff s LYS 11 N -0.54 3.41 0.57 2.79 1.02 0.11 -4.34 119.74 122.76 2aff s LYS 11 Ca 0.10 -0.04 0.28 0.00 0.02 0.00 0.00 55.97 56.32 2aff s LYS 11 Cb -0.12 -2.46 1.51 0.00 -0.52 0.00 0.00 37.83 36.24 2aff s LYS 11 CO 0.02 -0.17 2.00 0.00 -0.92 0.00 0.00 175.35 176.27 2aff h ARG 12 N 0.34 0.00 -0.00 1.68 3.08 -1.89 1.33 114.38 118.92 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 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2aff h ARG 12 CO 0.61 0.00 -0.07 0.43 -1.07 0.00 0.00 179.97 179.87 2aff n SER 13 N -3.96 0.27 -0.21 7.04 7.64 -1.26 -4.90 113.62 118.25 2aff n SER 13 Ca 0.07 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.54 2aff n SER 13 Cb 0.54 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 1.28 0.86 3.39 0.23 0.00 0.46 -5.07 105.19 106.33 2aff n GLY 14 Ca 0.14 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.41 2.82 0.08 1.61 1.01 -1.23 -4.80 120.40 117.47 2aff s VAL 15 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 2aff s VAL 15 Cb 0.00 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 2aff s VAL 15 CO 0.00 0.56 1.02 -1.81 0.00 0.00 0.00 175.10 174.88 2aff s ASP 16 N -0.22 7.36 0.00 3.32 1.01 -1.26 0.08 116.67 126.96 2aff s ASP 16 Ca -0.00 1.83 0.00 0.00 0.71 0.00 0.00 52.55 55.09 2aff s ASP 16 Cb -0.13 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2aff s ASP 16 CO 0.03 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 175.81 2aff n GLY 17 N 2.57 2.31 3.77 0.21 0.00 -0.38 -4.96 105.19 108.71 2aff n GLY 17 Ca 0.05 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 2.49 4.10 -0.15 1.61 0.04 -1.26 -4.72 135.00 137.11 2aff s PRO 18 Ca 0.00 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 2aff s PRO 18 Cb 0.00 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 2aff s PRO 18 CO 0.00 -0.26 0.01 -3.38 0.04 0.00 0.00 177.00 173.41 2aff s HIS 19 N -1.47 3.15 -0.50 0.56 -3.43 -1.26 -1.98 115.29 110.35 2aff s HIS 19 Ca 0.57 -0.03 -0.15 0.00 -0.80 0.00 0.00 55.06 54.65 2aff s HIS 19 Cb -0.28 -1.96 0.10 0.00 -1.43 0.00 0.00 32.58 29.01 2aff s HIS 19 CO 0.36 0.17 0.43 0.12 -2.00 0.00 0.00 174.74 173.81 2aff s PHE 20 N 0.02 3.27 0.04 0.38 5.36 0.92 -4.91 117.98 123.06 2aff s PHE 20 Ca 0.03 -1.23 -0.30 0.00 -0.96 0.00 0.00 56.93 54.47 2aff s PHE 20 Cb -0.13 -3.47 -0.05 0.00 -0.34 0.00 0.00 43.02 39.04 2aff s PHE 20 CO 0.02 -0.92 1.12 -1.25 -1.46 0.00 0.00 175.22 172.73 2aff s PRO 21 N 1.58 4.47 -1.23 10.12 0.04 -1.26 -1.83 135.00 146.90 2aff s PRO 21 Ca 0.04 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 2aff s PRO 21 Cb -0.27 -3.39 0.15 0.00 0.04 0.00 0.00 34.50 31.03 2aff s PRO 21 CO 0.04 -0.19 1.50 -0.51 0.04 0.00 0.00 177.00 177.88 2aff s LEU 22 N 1.06 4.76 0.00 -3.56 1.43 -0.92 -4.68 118.68 116.78 2aff s LEU 22 Ca 0.56 -2.86 0.27 0.00 -1.03 0.00 0.00 54.13 51.08 2aff s LEU 22 Cb -0.26 -2.44 0.90 0.00 0.03 0.00 0.00 46.19 44.41 2aff s LEU 22 CO 0.29 -0.85 1.69 -1.54 0.23 0.00 0.00 176.35 176.17 2aff n SER 23 N 6.30 0.24 -4.89 2.29 3.41 -1.26 -4.71 113.62 115.00 2aff n SER 23 Ca 0.39 0.13 -0.35 0.00 -0.26 0.00 0.00 58.87 58.79 2aff n SER 23 Cb 0.44 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.99 4.36 0.36 1.04 1.43 -1.26 -4.99 118.68 116.63 2aff s LEU 24 Ca 0.13 0.40 0.26 0.00 -1.03 0.00 0.00 54.13 53.89 2aff s LEU 24 Cb 0.18 -2.35 1.24 0.00 0.03 0.00 0.00 46.19 45.30 2aff s LEU 24 CO 0.61 0.33 1.79 0.77 0.23 0.00 0.00 176.35 180.08 2aff h SER 25 N 4.37 0.00 -3.49 2.29 4.64 -1.93 -3.42 113.55 116.02 2aff h SER 25 Ca -0.52 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.32 2aff h SER 25 Cb 1.21 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.97 2aff h SER 25 CO 0.64 0.00 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.90 2aff s THR 26 N -3.52 0.99 -0.16 2.95 2.01 -1.26 -1.05 115.64 115.59 2aff s THR 26 Ca 0.01 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.61 2aff s THR 26 Cb 0.09 -0.91 0.03 0.00 0.01 0.00 0.00 72.50 71.71 2aff s THR 26 CO 0.35 0.32 -0.13 0.00 -0.69 0.00 0.00 174.62 174.47 2aff s LEU 28 N 1.49 2.08 -0.03 0.00 2.96 -1.26 0.01 118.68 123.93 2aff s LEU 28 Ca 0.04 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 2aff s LEU 28 Cb -0.13 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 2aff s LEU 28 CO -0.10 0.19 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.74 2aff s PHE 29 N 0.16 3.05 -5.00 5.38 0.40 0.21 0.87 117.98 123.06 2aff s PHE 29 Ca -0.14 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2aff s PHE 29 Cb -0.17 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.68 2aff s PHE 29 CO 0.07 0.43 0.00 0.41 0.70 0.00 0.00 175.22 176.84 2aff n GLY 30 N 1.67 -0.26 0.02 4.36 0.00 -0.58 -2.43 105.19 107.97 2aff n GLY 30 Ca -0.16 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 44.92 2aff n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aff n ARG 31 N 0.00 0.99 -1.02 1.61 1.74 -0.23 -2.26 116.66 117.49 2aff n ARG 31 Ca 0.00 -0.07 -0.34 0.00 -0.77 0.00 0.00 57.85 56.67 2aff n ARG 31 Cb 0.00 -1.29 0.11 0.00 -1.02 0.00 0.00 32.46 30.27 2aff n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aff n GLY 32 N 1.98 -1.01 0.26 -0.13 0.00 -1.08 -4.88 105.19 100.33 2aff n GLY 32 Ca -0.08 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 2aff n GLY 32 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2aff h ILE 33 N -1.04 1.26 0.00 -0.61 6.09 -1.96 -2.16 117.51 119.09 2aff h ILE 33 Ca -0.45 -1.02 -0.00 0.00 -1.37 0.00 0.00 64.86 62.02 2aff h ILE 33 Cb 1.30 0.89 -0.00 0.00 0.47 0.00 0.00 36.82 39.49 2aff h ILE 33 CO 0.41 0.36 -0.00 -0.33 -3.07 0.00 0.00 178.15 175.52 2aff h GLU 34 N 0.77 0.00 -6.12 2.19 5.08 -1.95 -3.41 114.58 111.14 2aff h GLU 34 Ca 0.15 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.86 2aff h GLU 34 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2aff h GLU 34 CO 0.02 0.00 1.23 0.00 -1.00 0.00 0.00 179.01 179.26 2aff h ASP 36 N 10.68 0.00 -3.59 0.00 3.32 0.24 -3.36 116.42 123.71 2aff h ASP 36 Ca -0.40 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.02 2aff h ASP 36 Cb 1.29 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.47 2aff h ASP 36 CO 0.98 0.02 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.09 2aff s ILE 37 N -4.70 1.78 -0.11 0.35 -1.09 0.61 -4.93 121.20 113.11 2aff s ILE 37 Ca -0.05 -1.24 -0.04 0.00 -2.23 0.00 0.00 60.65 57.09 2aff s ILE 37 Cb 0.15 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 2aff s ILE 37 CO 0.59 0.06 0.04 -0.13 -1.23 0.00 0.00 174.94 174.27 2aff s ARG 38 N 1.31 3.30 -0.07 2.79 0.52 -1.26 -1.52 118.95 124.01 2aff s ARG 38 Ca -0.04 -0.34 0.05 0.00 -0.52 0.00 0.00 55.73 54.87 2aff s ARG 38 Cb -0.18 -2.96 -0.00 0.00 0.52 0.00 0.00 34.95 32.33 2aff s ARG 38 CO -0.07 0.62 -0.22 0.42 0.02 0.00 0.00 175.30 176.07 2aff s ILE 39 N -0.62 1.87 0.00 1.52 1.01 -0.96 -4.99 121.20 119.03 2aff s ILE 39 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 39 Cb -0.12 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.74 2aff s ILE 39 CO 0.02 0.52 1.38 0.00 0.00 0.00 0.00 174.94 176.86 2aff n GLN 40 N 3.27 0.97 -4.83 2.79 6.02 -1.26 -4.73 117.38 119.61 2aff n GLN 40 Ca -0.19 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.47 2aff n GLN 40 Cb 0.52 -1.02 -0.13 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 0.00 2.79 0.04 1.08 1.43 -1.26 -5.01 118.68 117.75 2aff s LEU 41 Ca 0.00 -0.20 0.16 0.00 -1.03 0.00 0.00 54.13 53.06 2aff s LEU 41 Cb 0.00 -1.59 0.69 0.00 0.03 0.00 0.00 46.19 45.32 2aff s LEU 41 CO 0.00 0.31 1.51 -0.81 0.23 0.00 0.00 176.35 177.59 2aff n PRO 42 N 2.59 0.03 -0.10 1.29 -0.04 -1.26 -2.43 135.00 135.08 2aff n PRO 42 Ca -0.17 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2aff n PRO 42 Cb 0.52 -1.56 0.28 0.00 -0.04 0.00 0.00 33.50 32.70 2aff n PRO 42 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2aff n VAL 43 N -1.63 0.26 -3.45 0.52 0.24 -1.26 -4.87 118.33 108.15 2aff n VAL 43 Ca 0.03 -0.52 -0.37 0.00 -2.04 0.00 0.00 64.34 61.45 2aff n VAL 43 Cb 0.18 0.83 -0.07 0.00 -1.47 0.00 0.00 33.84 33.32 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 -1.74 5.26 0.84 3.34 1.01 -1.02 -4.96 120.40 123.13 2aff s VAL 44 Ca 0.35 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.92 2aff s VAL 44 Cb 0.20 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.97 2aff s VAL 44 CO 0.30 0.37 1.09 -0.44 0.00 0.00 0.00 175.10 176.42 2aff s SER 45 N 0.51 4.01 0.19 3.32 0.01 -1.26 -4.51 113.70 115.98 2aff s SER 45 Ca 0.20 1.55 -0.10 0.00 1.31 0.00 0.00 55.95 58.91 2aff s SER 45 Cb -0.14 -2.25 0.12 0.00 0.21 0.00 0.00 66.02 63.96 2aff s SER 45 CO 0.06 -2.31 1.77 0.11 0.41 0.00 0.00 173.24 173.29 2aff h LYS 46 N -1.32 1.02 0.00 12.44 1.57 -1.91 -0.59 116.57 127.79 2aff h LYS 46 Ca -0.47 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.09 2aff h LYS 46 Cb 1.26 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2aff h LYS 46 CO 0.55 0.83 -1.36 1.04 -0.57 0.00 0.00 179.45 179.94 2aff n GLN 47 N -4.41 1.50 0.00 3.15 1.13 -1.26 -2.62 117.38 114.87 2aff n GLN 47 Ca 0.06 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2aff n GLN 47 Cb 0.15 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.34 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 -1.96 0.00 -4.30 1.08 -0.00 -1.12 -3.89 115.22 105.03 2aff n HIS 48 Ca -0.05 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 57.95 2aff n HIS 48 Cb 0.42 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.14 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 -0.05 1.71 -0.09 0.00 2.20 -0.65 0.66 119.74 123.53 2aff s LYS 50 Ca 0.01 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.25 2aff s LYS 50 Cb -0.05 -1.48 -0.02 0.00 -1.51 0.00 0.00 37.83 34.78 2aff s LYS 50 CO -0.00 -0.03 -0.16 0.42 -0.36 0.00 0.00 175.35 175.21 2aff s ILE 51 N 0.88 2.83 -0.07 5.43 1.01 0.10 0.52 121.20 131.90 2aff s ILE 51 Ca -0.10 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.80 2aff s ILE 51 Cb -0.15 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 2aff s ILE 51 CO 0.01 0.56 -0.14 -1.61 0.00 0.00 0.00 174.94 173.76 2aff s GLU 52 N -0.10 2.69 -0.28 2.79 2.02 -0.14 -1.46 118.70 124.23 2aff s GLU 52 Ca -0.03 -0.69 -0.13 0.00 0.02 0.00 0.00 54.97 54.14 2aff s GLU 52 Cb -0.14 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 2aff s GLU 52 CO 0.04 0.54 0.27 0.42 0.02 0.00 0.00 175.26 176.54 2aff s ILE 53 N -0.50 5.25 -0.09 -1.63 -1.09 -0.22 -1.30 121.20 121.63 2aff s ILE 53 Ca 0.07 0.34 0.04 0.00 -2.23 0.00 0.00 60.65 58.87 2aff s ILE 53 Cb -0.12 -3.60 -0.00 0.00 -1.58 0.00 0.00 42.46 37.16 2aff s ILE 53 CO 0.02 0.21 -0.23 -1.00 -1.23 0.00 0.00 174.94 172.70 2aff s HIS 54 N 1.89 2.43 0.48 3.97 3.76 0.11 -4.95 115.29 122.98 2aff s HIS 54 Ca 0.10 -0.93 0.38 0.00 -0.15 0.00 0.00 55.06 54.46 2aff s HIS 54 Cb -0.16 -1.62 1.57 0.00 1.11 0.00 0.00 32.58 33.48 2aff s HIS 54 CO 0.11 -0.36 1.58 0.93 -0.85 0.00 0.00 174.74 176.14 2aff h GLU 55 N 6.57 0.00 0.28 1.40 5.08 -2.02 0.64 114.58 126.53 2aff h GLU 55 Ca -0.23 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2aff h GLU 55 Cb 1.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2aff h GLU 55 CO 0.47 0.00 -0.13 1.96 -1.00 0.00 0.00 179.01 180.31 2aff h GLN 56 N 0.00 -0.36 0.00 2.33 4.20 -2.01 -3.49 115.11 115.78 2aff h GLN 56 Ca 0.90 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.64 2aff h GLN 56 Cb 3.11 0.08 0.00 0.00 0.30 0.00 0.00 27.48 30.97 2aff h GLN 56 CO -0.35 -0.24 0.00 -0.85 -0.67 0.00 0.00 178.83 176.72 2aff n GLU 57 N -3.12 0.00 -4.76 1.46 0.28 0.22 -5.16 120.64 109.57 2aff n GLU 57 Ca -0.05 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.62 2aff n GLU 57 Cb 0.15 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.88 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 -0.21 -1.84 0.00 -1.26 0.07 121.76 120.18 2aff s ALA 58 Ca 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2aff s ALA 58 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 2aff s ALA 58 CO 0.00 0.28 0.00 0.42 0.00 0.00 0.00 175.76 176.46 2aff s ILE 59 N 0.23 3.93 -0.22 0.00 -1.09 -0.42 0.79 121.20 124.41 2aff s ILE 59 Ca -0.08 -0.32 -0.15 0.00 -2.23 0.00 0.00 60.65 57.88 2aff s ILE 59 Cb -0.15 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.90 2aff s ILE 59 CO 0.05 0.42 0.35 -0.22 -1.23 0.00 0.00 174.94 174.30 2aff s LEU 60 N 1.13 4.12 -0.10 2.97 2.96 0.24 -0.96 118.68 129.04 2aff s LEU 60 Ca 0.03 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 2aff s LEU 60 Cb -0.14 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 2aff s LEU 60 CO 0.01 -0.07 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.86 2aff s HIS 61 N 1.44 2.82 -0.51 5.38 3.76 0.18 -1.78 115.29 126.58 2aff s HIS 61 Ca 0.16 -0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 54.51 2aff s HIS 61 Cb -0.15 -1.78 0.07 0.00 1.11 0.00 0.00 32.58 31.83 2aff s HIS 61 CO 0.08 -0.00 0.60 1.21 -0.85 0.00 0.00 174.74 175.77 2aff s ASN 62 N -0.11 6.21 0.00 1.40 2.47 -1.26 -1.63 114.94 122.01 2aff s ASN 62 Ca -0.01 -1.06 0.22 0.00 0.42 0.00 0.00 52.86 52.43 2aff s ASN 62 Cb -0.14 -2.27 -0.07 0.00 -1.45 0.00 0.00 41.25 37.32 2aff s ASN 62 CO 0.03 -0.88 1.03 0.49 -3.72 0.00 0.00 177.10 174.05 2aff n PHE 63 N 6.02 0.00 -2.45 0.43 3.01 -0.67 -4.84 117.46 118.95 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 0.45 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 2aff n PHE 63 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -2.75 6.02 0.08 4.37 0.15 0.13 -4.55 113.70 117.16 2aff s SER 64 Ca 0.13 -0.41 -0.09 0.00 0.70 0.00 0.00 55.95 56.28 2aff s SER 64 Cb 0.17 -2.56 -0.22 0.00 -1.71 0.00 0.00 66.02 61.70 2aff s SER 64 CO 0.72 -1.92 1.18 0.28 1.20 0.00 0.00 173.24 174.70 2aff h SER 65 N 10.87 0.67 -0.45 5.45 0.02 -1.88 -3.01 113.55 125.21 2aff h SER 65 Ca -0.23 -0.61 -0.13 0.00 -0.84 0.00 0.00 61.79 59.98 2aff h SER 65 Cb 1.06 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 2aff h SER 65 CO 1.28 1.43 -0.24 0.74 -1.14 0.00 0.00 176.83 178.90 2aff h THR 66 N 0.22 1.27 -2.15 -2.27 2.02 -2.00 -3.41 112.91 106.59 2aff h THR 66 Ca -0.14 -1.41 -0.36 0.00 0.77 0.00 0.00 66.41 65.27 2aff h THR 66 Cb 1.82 1.21 -0.33 0.00 -1.74 0.00 0.00 68.15 69.11 2aff h THR 66 CO 0.21 0.48 -0.67 0.20 0.37 0.00 0.00 175.52 176.11 2aff s ASN 67 N -6.70 1.70 0.58 4.18 0.01 -1.24 -5.15 114.94 108.32 2aff s ASN 67 Ca -0.11 -1.07 -0.20 0.00 -0.71 0.00 0.00 52.86 50.76 2aff s ASN 67 Cb 0.12 0.43 -0.05 0.00 0.41 0.00 0.00 41.25 42.16 2aff s ASN 67 CO 0.87 -0.35 1.09 -2.65 -1.51 0.00 0.00 177.10 174.54 2aff n PRO 68 N 4.96 1.14 -2.50 -0.60 -0.02 -1.14 -4.67 135.00 132.17 2aff n PRO 68 Ca 0.02 0.43 -0.38 0.00 -2.02 0.00 0.00 63.50 61.55 2aff n PRO 68 Cb 0.45 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.42 3.59 -0.09 3.45 2.01 -1.26 -4.84 115.64 117.07 2aff s THR 69 Ca 0.74 1.40 -0.04 0.00 0.31 0.00 0.00 61.69 64.11 2aff s THR 69 Cb -0.43 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2aff s THR 69 CO 0.48 0.18 0.06 -1.10 -0.69 0.00 0.00 174.62 173.55 2aff s GLN 70 N -1.98 3.16 -0.03 4.92 -0.21 0.69 -2.32 119.66 123.90 2aff s GLN 70 Ca 0.51 -0.31 0.03 0.00 0.02 0.00 0.00 55.36 55.62 2aff s GLN 70 Cb -0.27 -2.95 0.00 0.00 1.00 0.00 0.00 33.01 30.79 2aff s GLN 70 CO 0.34 0.73 -0.12 0.08 -2.12 0.00 0.00 175.29 174.20 2aff s VAL 71 N -0.96 1.01 -1.44 1.09 1.01 0.16 0.23 120.40 121.49 2aff s VAL 71 Ca 0.15 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 2aff s VAL 71 Cb -0.12 -0.88 0.06 0.00 0.00 0.00 0.00 36.38 35.45 2aff s VAL 71 CO 0.04 0.30 0.70 0.59 0.00 0.00 0.00 175.10 176.73 2aff n ASN 72 N 3.23 -4.64 -1.50 3.32 3.02 -0.88 -0.40 115.26 117.40 2aff n ASN 72 Ca -0.18 -0.52 -0.13 0.00 -0.03 0.00 0.00 54.58 53.72 2aff n ASN 72 Cb 0.54 -3.76 -0.01 0.00 -0.61 0.00 0.00 39.78 35.94 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 -1.44 -0.11 3.03 7.41 0.00 -1.26 -5.01 105.19 107.81 2aff n GLY 73 Ca -0.01 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.42 -0.18 0.26 1.61 0.15 0.46 -5.12 113.70 108.46 2aff s SER 74 Ca 0.00 0.38 -0.29 0.00 0.70 0.00 0.00 55.95 56.73 2aff s SER 74 Cb 0.00 0.33 -0.09 0.00 -1.71 0.00 0.00 66.02 64.55 2aff s SER 74 CO 0.00 -0.10 1.17 0.54 1.20 0.00 0.00 173.24 176.06 2aff s VAL 75 N 0.54 3.33 -0.06 4.45 0.11 -1.26 0.37 120.40 127.88 2aff s VAL 75 Ca -0.04 1.27 0.01 0.00 -2.93 0.00 0.00 61.98 60.29 2aff s VAL 75 Cb -0.05 -3.81 0.02 0.00 -1.53 0.00 0.00 36.38 31.01 2aff s VAL 75 CO -0.03 0.28 -0.05 -0.51 -3.33 0.00 0.00 175.10 171.46 2aff s ILE 76 N -0.84 0.61 -1.05 7.04 -1.16 -0.98 -4.91 121.20 119.90 2aff s ILE 76 Ca 0.48 -0.12 0.21 0.00 -0.51 0.00 0.00 60.65 60.71 2aff s ILE 76 Cb -0.34 -0.65 -0.21 0.00 0.61 0.00 0.00 42.46 41.88 2aff s ILE 76 CO 0.42 0.26 0.94 0.47 -2.81 0.00 0.00 174.94 174.22 2aff n ASP 77 N 4.33 1.02 -4.52 4.50 8.00 -1.26 -4.27 116.55 124.34 2aff n ASP 77 Ca -0.20 -0.98 -0.24 0.00 0.71 0.00 0.00 54.79 54.08 2aff n ASP 77 Cb 0.51 0.93 -0.09 0.00 -0.02 0.00 0.00 41.12 42.44 2aff n ASP 77 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2aff s GLU 78 N -2.98 1.84 0.46 -1.24 1.03 -1.26 -4.83 118.70 111.72 2aff s GLU 78 Ca 0.09 -1.73 -0.24 0.00 0.03 0.00 0.00 54.97 53.11 2aff s GLU 78 Cb 0.16 -1.84 -0.08 0.00 -0.80 0.00 0.00 34.13 31.57 2aff s GLU 78 CO 0.85 0.30 1.28 -2.30 -1.33 0.00 0.00 175.26 174.05 2aff n PRO 79 N -0.72 1.85 -3.91 -4.83 -0.02 -1.26 -4.76 135.00 121.35 2aff n PRO 79 Ca -0.05 0.66 -0.12 0.00 -2.02 0.00 0.00 63.50 61.97 2aff n PRO 79 Cb 0.60 -2.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.24 0.06 0.11 -1.45 0.11 -0.73 -4.98 120.40 112.28 2aff s VAL 80 Ca 0.64 -0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 59.22 2aff s VAL 80 Cb -0.48 -0.08 -0.06 0.00 -1.53 0.00 0.00 36.38 34.23 2aff s VAL 80 CO 0.56 -0.07 1.02 -0.13 -3.33 0.00 0.00 175.10 173.14 2aff s ARG 81 N -0.25 4.64 -0.01 1.54 0.52 -1.26 -0.59 118.95 123.54 2aff s ARG 81 Ca -0.02 1.54 -0.15 0.00 -0.52 0.00 0.00 55.73 56.58 2aff s ARG 81 Cb -0.02 -3.36 -0.06 0.00 0.52 0.00 0.00 34.95 32.04 2aff s ARG 81 CO -0.00 0.12 0.40 -0.51 0.02 0.00 0.00 175.30 175.33 2aff s LEU 82 N 0.08 4.46 0.16 2.53 1.43 0.24 -4.92 118.68 122.66 2aff s LEU 82 Ca 0.49 0.94 0.08 0.00 -1.03 0.00 0.00 54.13 54.61 2aff s LEU 82 Cb -0.25 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 2aff s LEU 82 CO 0.31 0.31 -0.17 -0.54 0.23 0.00 0.00 176.35 176.49 2aff s LYS 83 N -0.97 1.24 -0.10 1.70 1.02 -1.26 -4.07 119.74 117.29 2aff s LYS 83 Ca 0.23 -1.41 -0.33 0.00 0.02 0.00 0.00 55.97 54.48 2aff s LYS 83 Cb -0.16 -1.22 -0.11 0.00 -0.52 0.00 0.00 37.83 35.82 2aff s LYS 83 CO 0.13 0.24 1.95 1.58 -0.92 0.00 0.00 175.35 178.32 2aff n HIS 84 N 0.22 2.28 0.00 3.18 -0.00 -1.26 -0.53 115.22 119.11 2aff n HIS 84 Ca -0.13 -0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 2aff n HIS 84 Cb 0.58 -2.68 0.00 0.00 -0.00 0.00 0.00 29.99 27.88 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 4.69 2.23 3.75 1.57 0.00 0.16 -4.97 105.19 112.63 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 -1.67 6.84 -0.11 1.61 1.01 0.31 -4.73 116.67 119.92 2aff s ASP 86 Ca 0.00 2.56 -0.00 0.00 0.71 0.00 0.00 52.55 55.82 2aff s ASP 86 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2aff s ASP 86 CO 0.00 -0.52 -0.09 0.54 0.21 0.00 0.00 175.17 175.31 2aff s VAL 87 N -0.57 3.49 -0.16 -1.27 0.11 -1.26 -1.14 120.40 119.59 2aff s VAL 87 Ca 0.53 -0.53 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 2aff s VAL 87 Cb -0.38 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 31.96 2aff s VAL 87 CO 0.46 0.55 0.40 -0.63 -3.33 0.00 0.00 175.10 172.55 2aff s ILE 88 N -0.13 5.22 -0.09 7.04 -1.09 0.17 -2.07 121.20 130.24 2aff s ILE 88 Ca 0.01 0.76 0.02 0.00 -2.23 0.00 0.00 60.65 59.21 2aff s ILE 88 Cb -0.13 -3.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 2aff s ILE 88 CO 0.03 0.31 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.02 2aff s THR 89 N 0.89 1.36 -0.15 2.92 2.01 0.61 0.19 115.64 123.47 2aff s THR 89 Ca 0.21 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2aff s THR 89 Cb -0.14 -1.25 -0.00 0.00 0.01 0.00 0.00 72.50 71.11 2aff s THR 89 CO 0.08 0.41 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.64 2aff s ILE 90 N 0.91 2.71 0.00 1.82 1.01 0.58 -0.22 121.20 128.02 2aff s ILE 90 Ca -0.09 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2aff s ILE 90 Cb -0.15 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.18 2aff s ILE 90 CO 0.00 0.52 0.00 -0.38 0.00 0.00 0.00 174.94 175.08 2aff n ILE 91 N 3.92 0.00 -0.78 2.92 5.41 -1.26 0.29 119.36 129.86 2aff n ILE 91 Ca -0.19 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.63 2aff n ILE 91 Cb 0.52 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.55 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2aff n ASP 92 N 1.81 2.24 -4.19 4.38 9.92 -1.26 -5.00 116.55 124.45 2aff n ASP 92 Ca 0.00 -2.79 -0.27 0.00 -0.53 0.00 0.00 54.79 51.20 2aff n ASP 92 Cb 0.00 -0.31 -0.16 0.00 -0.64 0.00 0.00 41.12 40.01 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2aff s ARG 93 N -2.36 1.74 0.02 -1.24 0.52 0.85 -4.55 118.95 113.94 2aff s ARG 93 Ca 0.23 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.74 2aff s ARG 93 Cb 0.20 -1.60 -0.02 0.00 0.52 0.00 0.00 34.95 34.05 2aff s ARG 93 CO 0.02 0.37 -0.03 0.45 0.02 0.00 0.00 175.30 176.13 2aff s SER 94 N -0.29 0.27 -0.14 0.23 0.15 -1.26 0.22 113.70 112.87 2aff s SER 94 Ca 0.03 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.14 2aff s SER 94 Cb -0.09 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.34 2aff s SER 94 CO 0.00 -0.33 -0.17 -0.36 1.20 0.00 0.00 173.24 173.58 2aff s PHE 95 N -1.73 2.37 0.00 3.44 0.40 0.13 -1.51 117.98 121.07 2aff s PHE 95 Ca -0.13 -1.27 -0.22 0.00 -0.60 0.00 0.00 56.93 54.70 2aff s PHE 95 Cb -0.08 -1.67 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 2aff s PHE 95 CO -0.02 -0.64 0.66 1.03 0.70 0.00 0.00 175.22 176.96 2aff s ARG 96 N 1.16 4.39 -0.22 0.44 0.52 -0.68 -0.66 118.95 123.91 2aff s ARG 96 Ca -0.01 0.86 -0.13 0.00 -0.52 0.00 0.00 55.73 55.94 2aff s ARG 96 Cb -0.14 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 31.92 2aff s ARG 96 CO -0.07 0.30 0.26 -0.47 0.02 0.00 0.00 175.30 175.34 2aff s TYR 97 N -0.01 3.35 -0.07 -0.53 5.04 -0.30 -1.96 117.35 122.88 2aff s TYR 97 Ca 0.34 0.41 -0.03 0.00 -2.44 0.00 0.00 57.07 55.35 2aff s TYR 97 Cb -0.19 -2.36 0.04 0.00 0.35 0.00 0.00 41.96 39.80 2aff s TYR 97 CO 0.19 0.06 0.15 -1.21 -1.34 0.00 0.00 175.55 173.41 2aff s GLU 98 N 1.07 0.10 -0.40 4.97 2.02 -0.96 -0.67 118.70 124.83 2aff s GLU 98 Ca 0.13 0.38 -0.22 0.00 0.02 0.00 0.00 54.97 55.28 2aff s GLU 98 Cb -0.14 -0.18 0.01 0.00 0.10 0.00 0.00 34.13 33.93 2aff s GLU 98 CO 0.05 -0.17 0.71 -0.80 0.02 0.00 0.00 175.26 175.08 2aff s ASN 99 N 1.18 6.43 0.00 -0.19 0.01 -1.26 -2.17 114.94 118.94 2aff s ASN 99 Ca -0.09 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 2aff s ASN 99 Cb -0.11 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.19 2aff s ASN 99 CO -0.06 -0.74 0.00 -0.62 -1.51 0.00 0.00 177.10 174.17