#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 0.69 -3.91 3.45 -2.24 -1.26 -4.95 114.28 106.07 2aff n THR 4 Ca 0.00 -0.36 -0.35 0.00 -2.27 0.00 0.00 64.05 61.07 2aff n THR 4 Cb 0.00 -0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 67.29 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 -2.24 3.86 -0.01 -0.78 0.52 -1.26 -0.64 118.95 118.39 2aff s ARG 5 Ca -0.10 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.74 2aff s ARG 5 Cb 0.04 -3.28 -0.00 0.00 0.52 0.00 0.00 34.95 32.22 2aff s ARG 5 CO 0.35 0.08 -0.07 1.03 0.02 0.00 0.00 175.30 176.71 2aff s ARG 6 N 0.90 0.66 -0.14 3.54 0.52 -0.45 -2.14 118.95 121.84 2aff s ARG 6 Ca 0.04 -0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 6 Cb -0.14 -0.64 -0.02 0.00 0.52 0.00 0.00 34.95 34.68 2aff s ARG 6 CO 0.03 0.14 -0.11 -1.17 0.02 0.00 0.00 175.30 174.20 2aff s LEU 7 N -0.04 2.80 -0.13 2.53 2.96 -0.95 -1.69 118.68 124.15 2aff s LEU 7 Ca 0.01 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 2aff s LEU 7 Cb -0.05 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2aff s LEU 7 CO -0.00 0.16 -0.01 0.68 -1.32 0.00 0.00 176.35 175.86 2aff s VAL 8 N 0.39 4.16 -0.34 1.68 -7.23 -0.94 0.05 120.40 118.17 2aff s VAL 8 Ca -0.09 -0.28 -0.20 0.00 -1.81 0.00 0.00 61.98 59.60 2aff s VAL 8 Cb -0.16 -2.80 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 2aff s VAL 8 CO 0.05 0.53 0.63 -0.89 -0.31 0.00 0.00 175.10 175.11 2aff s THR 9 N -0.08 4.90 0.29 5.32 2.01 -1.01 -2.33 115.64 124.74 2aff s THR 9 Ca 0.03 0.66 -0.28 0.00 0.31 0.00 0.00 61.69 62.41 2aff s THR 9 Cb -0.13 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 2aff s THR 9 CO 0.02 -0.27 0.97 -0.63 -0.69 0.00 0.00 174.62 174.02 2aff s ILE 10 N 2.68 4.03 0.41 1.82 1.01 -0.97 -0.52 121.20 129.67 2aff s ILE 10 Ca 0.25 1.87 -0.06 0.00 0.00 0.00 0.00 60.65 62.71 2aff s ILE 10 Cb -0.15 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 2aff s ILE 10 CO 0.14 0.31 0.71 -0.54 0.00 0.00 0.00 174.94 175.56 2aff s LYS 11 N -1.64 3.61 0.44 2.79 1.02 0.36 -4.56 119.74 121.76 2aff s LYS 11 Ca 0.46 0.17 0.11 0.00 0.02 0.00 0.00 55.97 56.73 2aff s LYS 11 Cb -0.24 -2.46 0.99 0.00 -0.52 0.00 0.00 37.83 35.60 2aff s LYS 11 CO 0.30 -0.04 2.06 0.00 -0.92 0.00 0.00 175.35 176.74 2aff h ARG 12 N 0.83 0.39 0.00 1.68 3.08 -1.87 0.31 114.38 118.80 2aff h ARG 12 Ca -0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2aff h ARG 12 Cb 1.20 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2aff h ARG 12 CO 0.63 0.26 0.00 1.03 -1.07 0.00 0.00 179.97 180.82 2aff h SER 13 N 0.40 0.00 0.00 7.04 0.87 -1.96 -3.45 113.55 116.45 2aff h SER 13 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2aff h SER 13 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2aff h SER 13 CO -0.03 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.88 2aff n GLY 14 N -0.00 1.52 3.15 5.77 0.00 0.11 -5.11 105.19 110.63 2aff n GLY 14 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 1.54 0.13 1.61 1.01 -1.22 -4.83 120.40 116.64 2aff s VAL 15 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 2aff s VAL 15 Cb 0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 2aff s VAL 15 CO 0.00 0.44 1.33 -0.62 0.00 0.00 0.00 175.10 176.25 2aff s ASP 16 N 0.11 6.89 0.00 3.32 -1.08 -1.26 0.13 116.67 124.79 2aff s ASP 16 Ca -0.07 2.30 0.00 0.00 -0.52 0.00 0.00 52.55 54.26 2aff s ASP 16 Cb -0.13 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2aff s ASP 16 CO 0.03 -0.58 0.00 0.61 0.52 0.00 0.00 175.17 175.75 2aff n GLY 17 N 3.11 1.48 3.80 2.66 0.00 0.33 -4.88 105.19 111.69 2aff n GLY 17 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 3.80 3.26 -0.07 1.61 0.04 -1.26 -4.71 135.00 137.67 2aff s PRO 18 Ca 0.00 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.27 2aff s PRO 18 Cb 0.00 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2aff s PRO 18 CO 0.00 -0.86 -0.06 -1.01 0.04 0.00 0.00 177.00 175.11 2aff s HIS 19 N -2.44 2.96 -0.47 0.56 3.76 -1.26 -2.40 115.29 116.00 2aff s HIS 19 Ca 0.64 0.04 -0.07 0.00 -0.15 0.00 0.00 55.06 55.52 2aff s HIS 19 Cb -0.16 -1.72 0.12 0.00 1.11 0.00 0.00 32.58 31.93 2aff s HIS 19 CO 0.38 0.35 0.32 0.12 -0.85 0.00 0.00 174.74 175.06 2aff s PHE 20 N -0.82 3.48 0.07 1.40 5.36 0.11 -4.95 117.98 122.63 2aff s PHE 20 Ca 0.12 -2.06 -0.31 0.00 -0.96 0.00 0.00 56.93 53.73 2aff s PHE 20 Cb -0.11 -3.42 -0.07 0.00 -0.34 0.00 0.00 43.02 39.08 2aff s PHE 20 CO 0.02 -0.98 1.39 -1.25 -1.46 0.00 0.00 175.22 172.93 2aff s PRO 21 N 1.22 4.31 0.00 10.12 0.04 -1.26 -2.24 135.00 147.19 2aff s PRO 21 Ca 0.07 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 2aff s PRO 21 Cb -0.25 -3.38 -0.20 0.00 0.04 0.00 0.00 34.50 30.71 2aff s PRO 21 CO -0.02 -0.48 3.14 1.28 0.04 0.00 0.00 177.00 180.96 2aff n LEU 22 N 4.50 5.02 0.28 -3.56 4.77 -0.91 -4.37 117.00 122.73 2aff n LEU 22 Ca 0.12 -2.89 0.16 0.00 -0.03 0.00 0.00 56.01 53.37 2aff n LEU 22 Cb 0.43 -1.29 0.92 0.00 -2.33 0.00 0.00 43.42 41.14 2aff n LEU 22 CO 0.58 1.46 1.14 0.77 -1.33 0.00 0.00 177.39 180.01 2aff h SER 23 N 2.71 0.00 -3.75 -1.43 4.64 -1.90 -3.41 113.55 110.42 2aff h SER 23 Ca 0.14 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.97 2aff h SER 23 Cb 1.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 2aff h SER 23 CO 0.19 0.00 0.39 -0.76 -0.87 0.00 0.00 176.83 175.78 2aff s LEU 24 N -7.52 4.61 0.51 5.97 1.43 -1.26 -4.93 118.68 117.48 2aff s LEU 24 Ca -0.05 2.03 0.34 0.00 -1.03 0.00 0.00 54.13 55.42 2aff s LEU 24 Cb 0.15 -3.61 1.58 0.00 0.03 0.00 0.00 46.19 44.34 2aff s LEU 24 CO 0.53 0.05 2.01 -1.28 0.23 0.00 0.00 176.35 177.90 2aff h SER 25 N 4.19 0.00 -3.76 2.29 0.87 -1.91 -3.42 113.55 111.81 2aff h SER 25 Ca -0.45 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 59.69 2aff h SER 25 Cb 1.20 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.85 2aff h SER 25 CO 0.68 0.00 -0.78 -0.89 -0.53 0.00 0.00 176.83 175.31 2aff s THR 26 N -3.73 0.70 -0.18 2.23 2.01 -1.26 -0.97 115.64 114.44 2aff s THR 26 Ca -0.00 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2aff s THR 26 Cb 0.10 -0.64 0.04 0.00 0.01 0.00 0.00 72.50 72.01 2aff s THR 26 CO 0.44 0.23 -0.08 0.00 -0.69 0.00 0.00 174.62 174.52 2aff s LEU 28 N 1.54 2.63 -0.10 0.00 2.96 -1.26 -0.47 118.68 123.97 2aff s LEU 28 Ca 0.00 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2aff s LEU 28 Cb -0.15 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2aff s LEU 28 CO -0.08 0.16 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.68 2aff s PHE 29 N 0.36 2.92 -4.95 5.38 0.40 0.65 0.37 117.98 123.11 2aff s PHE 29 Ca -0.12 -0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 2aff s PHE 29 Cb -0.16 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.57 2aff s PHE 29 CO 0.06 0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.50 2aff n GLY 30 N 2.86 -1.71 0.08 4.36 0.00 -0.88 -2.40 105.19 107.49 2aff n GLY 30 Ca -0.18 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 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 0.08 -6.83 1.61 3.08 -1.34 -2.87 114.38 108.11 2aff h ARG 31 Ca 0.00 -0.14 -0.57 0.00 0.07 0.00 0.00 59.98 59.34 2aff h ARG 31 Cb 0.00 0.05 0.17 0.00 0.08 0.00 0.00 29.97 30.27 2aff h ARG 31 CO 0.00 1.02 0.08 0.41 -1.07 0.00 0.00 179.97 180.41 2aff n GLY 32 N 1.43 -0.43 0.30 0.04 0.00 -1.00 -4.84 105.19 100.71 2aff n GLY 32 Ca -0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 0.33 1.27 -0.65 -0.61 6.09 -1.90 -2.01 117.51 120.02 2aff h ILE 33 Ca -0.48 -1.19 0.19 0.00 -1.37 0.00 0.00 64.86 62.01 2aff h ILE 33 Cb 1.37 0.83 -0.03 0.00 0.47 0.00 0.00 36.82 39.46 2aff h ILE 33 CO 0.50 0.43 0.56 -0.33 -3.07 0.00 0.00 178.15 176.23 2aff h GLU 34 N 0.97 0.00 -6.02 2.19 5.08 -1.94 -3.39 114.58 111.47 2aff h GLU 34 Ca 0.17 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.91 2aff h GLU 34 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2aff h GLU 34 CO 0.04 0.00 1.44 0.00 -1.00 0.00 0.00 179.01 179.49 2aff h ASP 36 N 13.85 0.00 -3.37 0.00 3.32 -0.30 -3.34 116.42 126.59 2aff h ASP 36 Ca -0.38 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.24 2aff h ASP 36 Cb 1.26 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.46 2aff h ASP 36 CO 0.98 0.00 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.09 2aff s ILE 37 N -3.89 0.56 -0.14 0.35 1.01 -0.02 -4.94 121.20 114.13 2aff s ILE 37 Ca -0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.49 2aff s ILE 37 Cb 0.06 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 2aff s ILE 37 CO 0.20 0.25 0.07 -0.13 0.00 0.00 0.00 174.94 175.33 2aff s ARG 38 N 1.30 3.60 -0.12 2.79 0.52 -1.26 -2.08 118.95 123.71 2aff s ARG 38 Ca -0.05 -0.30 0.02 0.00 -0.52 0.00 0.00 55.73 54.88 2aff s ARG 38 Cb -0.14 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 2aff s ARG 38 CO -0.02 0.51 -0.18 0.42 0.02 0.00 0.00 175.30 176.05 2aff s ILE 39 N -0.31 2.53 -0.45 1.52 1.01 -1.08 -4.97 121.20 119.45 2aff s ILE 39 Ca 0.09 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2aff s ILE 39 Cb -0.12 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.32 2aff s ILE 39 CO 0.02 0.54 0.67 0.00 0.00 0.00 0.00 174.94 176.16 2aff n GLN 40 N 3.62 0.86 -3.54 2.79 6.02 -1.26 -4.59 117.38 121.28 2aff n GLN 40 Ca -0.19 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.44 2aff n GLN 40 Cb 0.53 -1.23 -0.08 0.00 1.02 0.00 0.00 30.24 30.48 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 4.20 0.00 1.08 1.43 -1.26 -4.97 118.68 119.16 2aff s LEU 41 Ca 0.00 0.41 0.19 0.00 -1.03 0.00 0.00 54.13 53.70 2aff s LEU 41 Cb 0.00 -2.33 0.83 0.00 0.03 0.00 0.00 46.19 44.72 2aff s LEU 41 CO 0.00 0.06 1.62 -0.81 0.23 0.00 0.00 176.35 177.44 2aff n PRO 42 N 3.91 0.02 -0.13 1.29 -0.04 -1.26 -2.46 135.00 136.31 2aff n PRO 42 Ca -0.12 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2aff n PRO 42 Cb 0.52 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.49 0.35 -3.44 0.52 0.24 -1.26 -4.90 118.33 108.35 2aff n VAL 43 Ca 0.05 -0.59 -0.38 0.00 -2.04 0.00 0.00 64.34 61.38 2aff n VAL 43 Cb 0.22 0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 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 -1.65 5.10 1.07 3.34 1.01 -1.03 -4.93 120.40 123.31 2aff s VAL 44 Ca 0.36 0.85 -0.15 0.00 0.00 0.00 0.00 61.98 63.04 2aff s VAL 44 Cb 0.21 -3.74 0.22 0.00 0.00 0.00 0.00 36.38 33.07 2aff s VAL 44 CO 0.30 0.48 1.11 -0.44 0.00 0.00 0.00 175.10 176.55 2aff s SER 45 N -0.37 2.06 0.18 3.32 0.01 -1.26 -4.58 113.70 113.07 2aff s SER 45 Ca 0.24 0.92 -0.11 0.00 1.31 0.00 0.00 55.95 58.31 2aff s SER 45 Cb -0.16 -1.41 0.09 0.00 0.21 0.00 0.00 66.02 64.76 2aff s SER 45 CO 0.11 -3.45 1.72 0.11 0.41 0.00 0.00 173.24 172.15 2aff h LYS 46 N -2.11 0.99 0.00 12.44 1.57 -1.94 -2.28 116.57 125.23 2aff h LYS 46 Ca -0.51 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.06 2aff h LYS 46 Cb 1.32 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2aff h LYS 46 CO 0.49 0.85 -1.28 1.04 -0.57 0.00 0.00 179.45 179.98 2aff n GLN 47 N -4.38 0.46 0.00 3.15 6.02 -1.26 -2.36 117.38 119.00 2aff n GLN 47 Ca 0.04 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2aff n GLN 47 Cb 0.20 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.76 0.00 -4.61 1.08 -0.00 -1.17 -3.95 115.22 104.81 2aff n HIS 48 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.46 2aff n HIS 48 Cb 0.21 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.04 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2aff s LYS 50 N 0.34 2.16 -0.13 0.00 2.20 -0.26 -0.25 119.74 123.79 2aff s LYS 50 Ca -0.08 -0.56 -0.02 0.00 -0.36 0.00 0.00 55.97 54.95 2aff s LYS 50 Cb -0.12 -1.77 -0.03 0.00 -1.51 0.00 0.00 37.83 34.40 2aff s LYS 50 CO 0.02 0.01 -0.06 0.42 -0.36 0.00 0.00 175.35 175.39 2aff s ILE 51 N 0.75 3.70 -0.21 5.43 1.01 0.38 0.48 121.20 132.76 2aff s ILE 51 Ca -0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 2aff s ILE 51 Cb -0.16 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2aff s ILE 51 CO 0.02 0.53 -0.09 -1.61 0.00 0.00 0.00 174.94 173.78 2aff s GLU 52 N 0.07 3.26 -0.33 2.79 2.02 0.23 -2.02 118.70 124.72 2aff s GLU 52 Ca -0.01 -0.69 -0.11 0.00 0.02 0.00 0.00 54.97 54.18 2aff s GLU 52 Cb -0.14 -2.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 2aff s GLU 52 CO 0.03 -0.19 0.19 0.42 0.02 0.00 0.00 175.26 175.73 2aff s ILE 53 N 1.39 4.82 -0.04 -1.63 1.01 -0.15 -1.43 121.20 125.17 2aff s ILE 53 Ca 0.05 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.33 2aff s ILE 53 Cb -0.14 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2aff s ILE 53 CO -0.06 0.01 -0.11 -1.00 0.00 0.00 0.00 174.94 173.78 2aff s HIS 54 N 1.64 2.80 0.59 3.97 3.76 0.49 -4.87 115.29 123.67 2aff s HIS 54 Ca 0.05 -0.09 0.31 0.00 -0.15 0.00 0.00 55.06 55.18 2aff s HIS 54 Cb -0.17 -1.64 1.05 0.00 1.11 0.00 0.00 32.58 32.93 2aff s HIS 54 CO 0.08 0.27 1.33 0.39 -0.85 0.00 0.00 174.74 175.96 2aff n GLU 55 N 2.08 0.01 0.07 1.40 1.02 -1.26 0.85 120.64 124.82 2aff n GLU 55 Ca -0.17 1.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.96 2aff n GLU 55 Cb 0.52 -2.51 -0.01 0.00 -0.02 0.00 0.00 31.44 29.43 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2aff h GLN 56 N 0.00 -0.19 0.00 3.49 4.20 -2.00 -3.49 115.11 117.12 2aff h GLN 56 Ca 0.57 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.29 2aff h GLN 56 Cb 3.07 0.04 0.00 0.00 0.30 0.00 0.00 27.48 30.89 2aff h GLN 56 CO -0.01 -0.12 0.00 -0.85 -0.67 0.00 0.00 178.83 177.18 2aff n GLU 57 N -2.69 0.00 -4.95 1.46 0.28 0.25 -5.16 120.64 109.83 2aff n GLU 57 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.65 2aff n GLU 57 Cb 0.08 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.79 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 2.42 -0.09 -1.84 0.00 -1.26 -0.38 121.76 119.61 2aff s ALA 58 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.07 2aff s ALA 58 Cb 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.07 2aff s ALA 58 CO 0.00 0.25 -0.23 0.42 0.00 0.00 0.00 175.76 176.20 2aff s ILE 59 N 0.37 2.13 -0.20 0.00 1.01 -0.52 0.59 121.20 124.59 2aff s ILE 59 Ca -0.14 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.39 2aff s ILE 59 Cb -0.17 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 2aff s ILE 59 CO 0.07 0.56 0.17 -0.22 0.00 0.00 0.00 174.94 175.51 2aff s LEU 60 N 0.19 4.20 -0.05 2.97 2.96 -0.36 -0.60 118.68 127.99 2aff s LEU 60 Ca -0.14 0.27 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 2aff s LEU 60 Cb -0.17 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2aff s LEU 60 CO 0.07 0.15 -0.19 -1.00 -1.32 0.00 0.00 176.35 174.06 2aff s HIS 61 N 0.48 2.58 -0.43 5.38 3.76 0.18 -2.10 115.29 125.14 2aff s HIS 61 Ca 0.10 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.51 2aff s HIS 61 Cb -0.12 -1.62 0.05 0.00 1.11 0.00 0.00 32.58 32.01 2aff s HIS 61 CO -0.00 0.03 0.31 0.54 -0.85 0.00 0.00 174.74 174.77 2aff s ASN 62 N -0.50 5.98 0.02 1.40 4.22 -1.26 -1.10 114.94 123.69 2aff s ASN 62 Ca 0.06 -1.18 0.23 0.00 -2.14 0.00 0.00 52.86 49.83 2aff s ASN 62 Cb -0.11 -2.12 0.14 0.00 1.28 0.00 0.00 41.25 40.44 2aff s ASN 62 CO 0.01 -0.53 1.13 0.49 -2.04 0.00 0.00 177.10 176.16 2aff n PHE 63 N 5.11 0.09 -2.41 1.54 3.01 0.96 -4.80 117.46 120.96 2aff n PHE 63 Ca -0.12 0.03 -0.41 0.00 1.01 0.00 0.00 57.45 57.97 2aff n PHE 63 Cb 0.45 -0.24 -0.03 0.00 -0.01 0.00 0.00 39.48 39.65 2aff n PHE 63 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2aff s SER 64 N -3.32 5.96 0.19 4.37 1.04 -0.79 -4.65 113.70 116.48 2aff s SER 64 Ca 0.08 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2aff s SER 64 Cb 0.16 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.82 2aff s SER 64 CO 0.78 -1.94 1.45 0.77 0.98 0.00 0.00 173.24 175.29 2aff h SER 65 N 11.29 0.41 -0.30 7.02 4.64 -1.92 -2.62 113.55 132.07 2aff h SER 65 Ca -0.27 -0.27 -0.18 0.00 -0.47 0.00 0.00 61.79 60.60 2aff h SER 65 Cb 1.08 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2aff h SER 65 CO 1.25 1.00 -0.52 0.74 -0.87 0.00 0.00 176.83 178.43 2aff h THR 66 N 0.23 1.28 -2.27 2.95 2.02 -2.01 -3.41 112.91 111.70 2aff h THR 66 Ca -0.03 -1.70 -0.47 0.00 0.77 0.00 0.00 66.41 64.99 2aff h THR 66 Cb 1.28 1.61 -0.35 0.00 -1.74 0.00 0.00 68.15 68.96 2aff h THR 66 CO 0.12 0.55 -0.76 0.20 0.37 0.00 0.00 175.52 176.00 2aff s ASN 67 N -6.91 2.09 0.58 4.18 0.01 -1.21 -5.14 114.94 108.54 2aff s ASN 67 Ca -0.11 -1.81 -0.19 0.00 -0.71 0.00 0.00 52.86 50.04 2aff s ASN 67 Cb 0.10 0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.82 2aff s ASN 67 CO 0.89 -0.29 1.22 -2.16 -1.51 0.00 0.00 177.10 175.25 2aff s PRO 68 N 1.33 3.01 0.56 -0.60 0.04 -0.99 -4.59 135.00 133.76 2aff s PRO 68 Ca 0.17 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 2aff s PRO 68 Cb -0.19 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 2aff s PRO 68 CO -0.04 -1.19 1.10 0.99 0.04 0.00 0.00 177.00 177.91 2aff s THR 69 N -1.55 3.35 0.03 1.26 2.01 -1.26 -4.86 115.64 114.63 2aff s THR 69 Ca 0.76 0.78 0.02 0.00 0.31 0.00 0.00 61.69 63.56 2aff s THR 69 Cb -0.32 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2aff s THR 69 CO 0.35 -0.25 0.04 -1.10 -0.69 0.00 0.00 174.62 172.97 2aff s GLN 70 N -3.52 2.83 -0.03 4.92 -0.21 -0.89 -2.46 119.66 120.29 2aff s GLN 70 Ca 0.70 -0.64 0.02 0.00 0.02 0.00 0.00 55.36 55.45 2aff s GLN 70 Cb -0.21 -2.70 0.01 0.00 1.00 0.00 0.00 33.01 31.10 2aff s GLN 70 CO 0.30 0.60 -0.08 0.54 -2.12 0.00 0.00 175.29 174.53 2aff s VAL 71 N -1.22 0.71 -1.17 1.09 0.11 0.55 0.74 120.40 121.21 2aff s VAL 71 Ca 0.24 -0.31 -0.03 0.00 -2.93 0.00 0.00 61.98 58.95 2aff s VAL 71 Cb -0.12 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 2aff s VAL 71 CO 0.15 0.23 0.20 0.59 -3.33 0.00 0.00 175.10 172.94 2aff n ASN 72 N 3.42 -4.04 -0.90 3.54 3.02 0.10 0.78 115.26 121.18 2aff n ASN 72 Ca -0.19 -0.02 -0.09 0.00 -0.03 0.00 0.00 54.58 54.25 2aff n ASN 72 Cb 0.54 -3.39 -0.01 0.00 -0.61 0.00 0.00 39.78 36.31 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 -0.98 0.26 2.91 7.41 0.00 -1.26 -5.03 105.19 108.50 2aff n GLY 73 Ca -0.10 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.68 0.17 0.12 1.61 0.01 0.23 -5.10 113.70 108.06 2aff s SER 74 Ca 0.00 -0.13 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 2aff s SER 74 Cb 0.00 0.01 -0.07 0.00 0.21 0.00 0.00 66.02 66.18 2aff s SER 74 CO 0.00 -0.06 1.12 -0.69 0.41 0.00 0.00 173.24 174.03 2aff s VAL 75 N -0.36 4.01 -0.49 3.43 1.01 -1.26 0.20 120.40 126.94 2aff s VAL 75 Ca -0.03 1.60 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 2aff s VAL 75 Cb -0.03 -4.02 0.11 0.00 0.00 0.00 0.00 36.38 32.44 2aff s VAL 75 CO -0.00 0.21 0.42 0.27 0.00 0.00 0.00 175.10 175.99 2aff s ILE 76 N 0.32 4.95 0.34 2.22 -4.36 -1.03 -4.90 121.20 118.73 2aff s ILE 76 Ca 0.53 -1.40 0.04 0.00 -0.26 0.00 0.00 60.65 59.56 2aff s ILE 76 Cb -0.29 -4.10 0.15 0.00 1.25 0.00 0.00 42.46 39.48 2aff s ILE 76 CO 0.32 -0.73 1.87 0.44 0.24 0.00 0.00 174.94 177.09 2aff h ASP 77 N 8.72 0.49 -3.04 4.36 3.32 -1.95 -3.44 116.42 124.88 2aff h ASP 77 Ca -0.27 -0.09 -0.57 0.00 0.02 0.00 0.00 57.03 56.11 2aff h ASP 77 Cb 1.10 -0.13 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 2aff h ASP 77 CO 0.93 0.57 -0.51 -1.61 -1.72 0.00 0.00 179.24 176.90 2aff s GLU 78 N -4.95 1.96 0.48 3.56 2.02 -1.26 -4.97 118.70 115.54 2aff s GLU 78 Ca -0.07 -2.20 -0.24 0.00 0.02 0.00 0.00 54.97 52.47 2aff s GLU 78 Cb 0.15 -0.63 -0.07 0.00 0.10 0.00 0.00 34.13 33.68 2aff s GLU 78 CO 0.77 -0.49 1.43 -2.14 0.02 0.00 0.00 175.26 174.84 2aff s PRO 79 N -3.70 3.53 -0.01 0.39 0.02 -1.26 -4.80 135.00 129.17 2aff s PRO 79 Ca 0.23 2.41 0.02 0.00 0.02 0.00 0.00 61.00 63.67 2aff s PRO 79 Cb 0.02 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.99 2aff s PRO 79 CO 0.14 -0.94 -0.05 0.54 -0.33 0.00 0.00 177.00 176.36 2aff s VAL 80 N -1.22 0.41 0.07 3.83 0.11 -0.89 -4.98 120.40 117.73 2aff s VAL 80 Ca 0.64 -0.20 -0.31 0.00 -2.93 0.00 0.00 61.98 59.18 2aff s VAL 80 Cb -0.44 -0.37 -0.06 0.00 -1.53 0.00 0.00 36.38 33.99 2aff s VAL 80 CO 0.55 0.13 1.24 -0.13 -3.33 0.00 0.00 175.10 173.56 2aff s ARG 81 N 0.04 4.41 0.12 1.54 0.52 -1.26 -1.22 118.95 123.09 2aff s ARG 81 Ca 0.00 1.83 -0.26 0.00 -0.52 0.00 0.00 55.73 56.78 2aff s ARG 81 Cb -0.04 -3.33 -0.07 0.00 0.52 0.00 0.00 34.95 32.03 2aff s ARG 81 CO -0.00 -0.30 0.80 -0.51 0.02 0.00 0.00 175.30 175.31 2aff s LEU 82 N 1.10 4.53 0.11 2.53 1.43 0.20 -4.92 118.68 123.66 2aff s LEU 82 Ca 0.60 1.60 0.06 0.00 -1.03 0.00 0.00 54.13 55.36 2aff s LEU 82 Cb -0.31 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 2aff s LEU 82 CO 0.29 0.11 -0.15 -0.54 0.23 0.00 0.00 176.35 176.29 2aff s LYS 83 N -0.62 0.99 -0.15 1.70 1.02 -1.26 -4.44 119.74 116.96 2aff s LYS 83 Ca 0.38 -1.16 -0.35 0.00 0.02 0.00 0.00 55.97 54.85 2aff s LYS 83 Cb -0.22 -0.94 -0.12 0.00 -0.52 0.00 0.00 37.83 36.02 2aff s LYS 83 CO 0.26 0.19 1.88 1.58 -0.92 0.00 0.00 175.35 178.34 2aff n HIS 84 N 0.78 2.22 0.00 3.18 -0.00 -1.26 -0.33 115.22 119.81 2aff n HIS 84 Ca -0.17 0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 2aff n HIS 84 Cb 0.56 -2.61 0.00 0.00 -0.00 0.00 0.00 29.99 27.93 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 4.54 1.70 3.72 1.57 0.00 -0.99 -4.97 105.19 110.76 2aff n GLY 85 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.79 6.68 -0.15 1.61 -1.08 0.56 -4.81 116.67 117.69 2aff s ASP 86 Ca 0.00 2.51 -0.03 0.00 -0.52 0.00 0.00 52.55 54.51 2aff s ASP 86 Cb 0.00 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.84 2aff s ASP 86 CO 0.00 -0.75 -0.04 -0.69 0.52 0.00 0.00 175.17 174.21 2aff s VAL 87 N 1.03 3.86 -0.14 1.11 1.01 -1.26 -1.63 120.40 124.38 2aff s VAL 87 Ca 0.67 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 2aff s VAL 87 Cb -0.41 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2aff s VAL 87 CO 0.32 0.50 0.02 -0.63 0.00 0.00 0.00 175.10 175.32 2aff s ILE 88 N 0.25 4.47 -0.15 2.22 1.01 -0.55 0.03 121.20 128.47 2aff s ILE 88 Ca -0.03 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.47 2aff s ILE 88 Cb -0.14 -2.95 0.01 0.00 0.01 0.00 0.00 42.46 39.38 2aff s ILE 88 CO 0.03 0.53 -0.18 -0.89 0.00 0.00 0.00 174.94 174.43 2aff s THR 89 N -0.16 2.36 -0.16 2.92 2.01 0.23 0.06 115.64 122.89 2aff s THR 89 Ca 0.06 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 2aff s THR 89 Cb -0.12 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 2aff s THR 89 CO 0.02 0.53 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.72 2aff s ILE 90 N 0.90 2.92 0.00 1.82 1.01 0.97 -2.11 121.20 126.72 2aff s ILE 90 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2aff s ILE 90 Cb -0.15 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.07 2aff s ILE 90 CO -0.03 0.50 0.00 -0.38 0.00 0.00 0.00 174.94 175.04 2aff n ILE 91 N 4.00 0.00 -0.57 2.92 2.08 -1.26 0.32 119.36 126.84 2aff n ILE 91 Ca -0.19 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.20 2aff n ILE 91 Cb 0.52 0.00 0.25 0.00 -0.75 0.00 0.00 39.64 39.66 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2aff n ASP 92 N 3.59 3.79 -4.22 4.38 8.00 -1.26 -4.95 116.55 125.88 2aff n ASP 92 Ca 0.00 -2.46 -0.23 0.00 0.71 0.00 0.00 54.79 52.81 2aff n ASP 92 Cb 0.00 -0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 40.53 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2aff s ARG 93 N -1.84 1.14 0.04 -1.24 0.52 0.94 -4.79 118.95 113.70 2aff s ARG 93 Ca 0.38 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 2aff s ARG 93 Cb 0.25 -1.25 -0.02 0.00 0.52 0.00 0.00 34.95 34.45 2aff s ARG 93 CO 0.16 0.31 -0.06 -1.12 0.02 0.00 0.00 175.30 174.61 2aff s SER 94 N -1.41 0.61 -0.13 0.23 0.01 -1.26 0.32 113.70 112.07 2aff s SER 94 Ca 0.05 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.76 2aff s SER 94 Cb -0.09 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.23 2aff s SER 94 CO 0.02 -0.26 -0.15 -0.36 0.41 0.00 0.00 173.24 172.90 2aff s PHE 95 N -1.56 2.14 -0.00 2.43 0.40 0.11 -2.28 117.98 119.21 2aff s PHE 95 Ca -0.11 -1.13 -0.19 0.00 -0.60 0.00 0.00 56.93 54.89 2aff s PHE 95 Cb -0.09 -1.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.83 2aff s PHE 95 CO -0.01 -0.60 0.55 1.03 0.70 0.00 0.00 175.22 176.90 2aff s ARG 96 N 1.26 4.25 -0.22 0.44 0.52 -0.99 -1.49 118.95 122.73 2aff s ARG 96 Ca 0.00 0.66 -0.14 0.00 -0.52 0.00 0.00 55.73 55.74 2aff s ARG 96 Cb -0.14 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 2aff s ARG 96 CO -0.07 0.43 0.30 -0.47 0.02 0.00 0.00 175.30 175.51 2aff s TYR 97 N -0.36 3.34 -0.13 -0.53 5.04 -0.65 -2.20 117.35 121.86 2aff s TYR 97 Ca 0.29 0.44 0.01 0.00 -2.44 0.00 0.00 57.07 55.37 2aff s TYR 97 Cb -0.18 -2.43 0.02 0.00 0.35 0.00 0.00 41.96 39.72 2aff s TYR 97 CO 0.16 0.00 -0.15 -2.00 -1.34 0.00 0.00 175.55 172.23 2aff s GLU 98 N 1.27 2.27 -0.32 4.97 2.12 -0.68 -2.35 118.70 125.98 2aff s GLU 98 Ca 0.14 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 54.93 2aff s GLU 98 Cb -0.14 -2.02 0.08 0.00 0.26 0.00 0.00 34.13 32.31 2aff s GLU 98 CO 0.07 -0.17 0.02 1.21 -0.54 0.00 0.00 175.26 175.85 2aff s ASN 99 N 1.30 4.76 0.00 -1.70 2.47 -1.26 -1.34 114.94 119.16 2aff s ASN 99 Ca 0.01 -1.83 0.10 0.00 0.42 0.00 0.00 52.86 51.55 2aff s ASN 99 Cb -0.14 -1.64 0.60 0.00 -1.45 0.00 0.00 41.25 38.62 2aff s ASN 99 CO -0.07 -0.34 1.05 1.21 -3.72 0.00 0.00 177.10 175.23