#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff h THR 4 N 0.00 1.43 -2.93 0.52 2.02 -1.88 -3.45 112.91 108.62 2aff h THR 4 Ca 0.00 -1.86 -0.63 0.00 0.77 0.00 0.00 66.41 64.69 2aff h THR 4 Cb 0.00 2.42 -0.08 0.00 -1.74 0.00 0.00 68.15 68.75 2aff h THR 4 CO 0.00 0.54 -0.41 -0.13 0.37 0.00 0.00 175.52 175.88 2aff s ARG 5 N -3.48 3.80 0.03 6.66 0.52 -1.26 -1.04 118.95 124.18 2aff s ARG 5 Ca -0.14 -0.03 0.01 0.00 -0.52 0.00 0.00 55.73 55.05 2aff s ARG 5 Cb 0.04 -3.28 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 2aff s ARG 5 CO 0.79 0.58 -0.05 1.03 0.02 0.00 0.00 175.30 177.67 2aff s ARG 6 N -0.51 0.41 0.01 3.54 0.52 -0.25 -2.15 118.95 120.52 2aff s ARG 6 Ca 0.15 -0.69 0.06 0.00 -0.52 0.00 0.00 55.73 54.73 2aff s ARG 6 Cb -0.13 -0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.25 2aff s ARG 6 CO 0.04 -0.01 -0.16 -0.51 0.02 0.00 0.00 175.30 174.69 2aff s LEU 7 N -1.54 2.70 -0.14 2.53 1.43 -0.88 -1.49 118.68 121.29 2aff s LEU 7 Ca -0.13 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2aff s LEU 7 Cb -0.10 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 2aff s LEU 7 CO -0.01 0.29 -0.16 -0.69 0.23 0.00 0.00 176.35 176.02 2aff s VAL 8 N -0.87 2.73 0.12 -1.59 1.01 -0.90 -0.01 120.40 120.88 2aff s VAL 8 Ca 0.14 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 2aff s VAL 8 Cb -0.11 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 2aff s VAL 8 CO 0.04 0.52 1.04 -0.89 0.00 0.00 0.00 175.10 175.81 2aff s THR 9 N 0.59 4.26 -0.14 3.92 2.01 -0.89 -1.94 115.64 123.44 2aff s THR 9 Ca -0.09 1.85 -0.06 0.00 0.31 0.00 0.00 61.69 63.70 2aff s THR 9 Cb -0.16 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2aff s THR 9 CO 0.03 0.27 0.05 -0.63 -0.69 0.00 0.00 174.62 173.65 2aff s ILE 10 N 0.11 4.69 0.30 1.82 -1.09 -0.54 -2.70 121.20 123.79 2aff s ILE 10 Ca 0.49 -0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.85 2aff s ILE 10 Cb -0.26 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.53 2aff s ILE 10 CO 0.31 0.53 0.47 -0.54 -1.23 0.00 0.00 174.94 174.48 2aff s LYS 11 N -0.19 3.47 0.50 2.79 1.02 -0.86 -4.26 119.74 122.20 2aff s LYS 11 Ca 0.07 -0.50 0.18 0.00 0.02 0.00 0.00 55.97 55.74 2aff s LYS 11 Cb -0.12 -2.76 1.23 0.00 -0.52 0.00 0.00 37.83 35.66 2aff s LYS 11 CO 0.01 0.27 2.06 0.00 -0.92 0.00 0.00 175.35 176.77 2aff h ARG 12 N 0.96 0.13 0.00 1.68 3.08 -1.88 0.46 114.38 118.80 2aff h ARG 12 Ca -0.51 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2aff h ARG 12 Cb 1.22 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2aff h ARG 12 CO 0.61 0.08 0.00 0.66 -1.07 0.00 0.00 179.97 180.26 2aff h SER 13 N 0.13 0.00 0.00 7.04 4.64 -1.93 -3.46 113.55 119.97 2aff h SER 13 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2aff h SER 13 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2aff h SER 13 CO -0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 2aff n GLY 14 N 0.39 0.79 3.64 -0.77 0.00 0.16 -5.08 105.19 104.32 2aff n GLY 14 Ca 0.03 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 2aff n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aff s VAL 15 N -2.00 4.10 0.23 1.61 -7.23 -1.25 -4.84 120.40 111.02 2aff s VAL 15 Ca 0.00 -0.33 -0.30 0.00 -1.81 0.00 0.00 61.98 59.55 2aff s VAL 15 Cb 0.00 -2.71 -0.09 0.00 0.56 0.00 0.00 36.38 34.14 2aff s VAL 15 CO 0.00 0.60 1.04 -1.81 -0.31 0.00 0.00 175.10 174.62 2aff s ASP 16 N -0.83 7.40 0.00 4.85 1.01 -1.26 -2.03 116.67 125.81 2aff s ASP 16 Ca 0.13 2.09 0.00 0.00 0.71 0.00 0.00 52.55 55.48 2aff s ASP 16 Cb -0.11 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.20 2aff s ASP 16 CO 0.02 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 175.94 2aff n GLY 17 N 1.58 2.71 3.80 0.21 0.00 -1.10 -4.98 105.19 107.41 2aff n GLY 17 Ca -0.00 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 2.77 3.64 0.01 1.61 0.04 -1.26 -4.80 135.00 137.00 2aff s PRO 18 Ca 0.00 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.38 2aff s PRO 18 Cb 0.00 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2aff s PRO 18 CO 0.00 -0.56 -0.07 -3.38 0.04 0.00 0.00 177.00 173.03 2aff s HIS 19 N -2.14 2.87 -0.59 0.56 -3.43 -1.26 -2.09 115.29 109.21 2aff s HIS 19 Ca 0.66 -0.05 -0.07 0.00 -0.80 0.00 0.00 55.06 54.80 2aff s HIS 19 Cb -0.16 -1.60 0.15 0.00 -1.43 0.00 0.00 32.58 29.54 2aff s HIS 19 CO 0.26 0.37 0.44 0.12 -2.00 0.00 0.00 174.74 173.93 2aff s PHE 20 N -1.00 3.50 0.24 0.38 5.36 0.99 -4.96 117.98 122.49 2aff s PHE 20 Ca 0.17 -2.26 -0.30 0.00 -0.96 0.00 0.00 56.93 53.58 2aff s PHE 20 Cb -0.11 -3.42 -0.09 0.00 -0.34 0.00 0.00 43.02 39.06 2aff s PHE 20 CO 0.07 -0.94 1.20 -1.25 -1.46 0.00 0.00 175.22 172.85 2aff s PRO 21 N 0.59 4.50 -0.47 10.12 0.04 -1.26 -2.06 135.00 146.45 2aff s PRO 21 Ca 0.12 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 2aff s PRO 21 Cb -0.21 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.18 2aff s PRO 21 CO -0.04 -0.03 0.63 -0.51 0.04 0.00 0.00 177.00 177.09 2aff s LEU 22 N -0.85 4.73 0.00 -3.56 1.43 -0.91 -4.81 118.68 114.71 2aff s LEU 22 Ca 0.50 -0.64 0.09 0.00 -1.03 0.00 0.00 54.13 53.06 2aff s LEU 22 Cb -0.34 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 2aff s LEU 22 CO 0.41 -0.83 0.54 -1.54 0.23 0.00 0.00 176.35 175.16 2aff n SER 23 N 6.21 0.94 -4.79 2.29 3.41 -1.26 -4.55 113.62 115.88 2aff n SER 23 Ca -0.04 -0.97 -0.32 0.00 -0.26 0.00 0.00 58.87 57.27 2aff n SER 23 Cb 0.47 0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 64.98 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 -1.85 3.91 0.39 1.04 1.43 -1.26 -5.00 118.68 117.35 2aff s LEU 24 Ca 0.06 0.12 0.28 0.00 -1.03 0.00 0.00 54.13 53.57 2aff s LEU 24 Cb 0.07 -2.36 1.30 0.00 0.03 0.00 0.00 46.19 45.24 2aff s LEU 24 CO 0.28 0.24 1.85 0.77 0.23 0.00 0.00 176.35 179.72 2aff h SER 25 N 3.86 0.00 -3.70 2.29 4.64 -1.93 -3.42 113.55 115.28 2aff h SER 25 Ca -0.48 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 0.64 0.00 -0.78 -0.89 -0.87 0.00 0.00 176.83 174.93 2aff s THR 26 N -3.56 0.71 -0.12 2.95 2.01 -1.26 -1.07 115.64 115.29 2aff s THR 26 Ca 0.01 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.72 2aff s THR 26 Cb 0.09 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.97 2aff s THR 26 CO 0.38 0.24 -0.11 0.00 -0.69 0.00 0.00 174.62 174.44 2aff s LEU 28 N 1.54 2.25 -0.09 0.00 2.96 -1.26 -0.17 118.68 123.91 2aff s LEU 28 Ca 0.03 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.40 2aff s LEU 28 Cb -0.13 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2aff s LEU 28 CO -0.08 0.14 0.04 -0.36 -1.32 0.00 0.00 176.35 174.76 2aff s PHE 29 N 0.49 3.27 -5.00 5.38 0.40 0.17 0.45 117.98 123.15 2aff s PHE 29 Ca -0.14 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.47 2aff s PHE 29 Cb -0.17 -1.82 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2aff s PHE 29 CO 0.05 0.54 0.00 0.41 0.70 0.00 0.00 175.22 176.92 2aff n GLY 30 N 2.07 -1.59 0.19 4.36 0.00 -0.88 -2.45 105.19 106.89 2aff n GLY 30 Ca -0.19 -1.53 -0.04 0.00 0.00 0.00 0.00 46.02 44.26 2aff n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aff h ARG 31 N 2.01 0.29 -6.63 1.61 3.08 -1.46 -2.99 114.38 110.29 2aff h ARG 31 Ca 0.00 -0.16 -0.58 0.00 0.07 0.00 0.00 59.98 59.31 2aff h ARG 31 Cb 0.00 0.01 0.12 0.00 0.08 0.00 0.00 29.97 30.18 2aff h ARG 31 CO 0.00 0.70 0.27 0.41 -1.07 0.00 0.00 179.97 180.29 2aff n GLY 32 N -0.01 0.06 0.25 0.04 0.00 -0.92 -4.77 105.19 99.84 2aff n GLY 32 Ca -0.02 0.26 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 2aff n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aff h ILE 33 N 2.02 1.22 0.00 -0.61 2.04 -1.89 -0.78 117.51 119.51 2aff h ILE 33 Ca -0.44 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2aff h ILE 33 Cb 1.32 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2aff h ILE 33 CO 0.60 0.26 0.42 -0.33 0.00 0.00 0.00 178.15 179.10 2aff h GLU 34 N 0.78 0.00 -6.34 2.37 5.08 -1.95 -3.40 114.58 111.12 2aff h GLU 34 Ca 0.19 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.01 2aff h GLU 34 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2aff h GLU 34 CO -0.02 0.00 1.00 0.00 -1.00 0.00 0.00 179.01 179.00 2aff h ASP 36 N 8.79 0.00 -3.24 0.00 3.32 -0.22 -3.35 116.42 121.72 2aff h ASP 36 Ca -0.40 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.14 2aff h ASP 36 Cb 1.18 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.36 2aff h ASP 36 CO 0.94 0.00 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.04 2aff s ILE 37 N -4.39 0.88 -0.17 0.35 1.01 -0.85 -4.98 121.20 113.05 2aff s ILE 37 Ca -0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 2aff s ILE 37 Cb 0.13 -0.99 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 2aff s ILE 37 CO 0.45 0.25 0.14 -0.13 0.00 0.00 0.00 174.94 175.66 2aff s ARG 38 N 1.76 3.94 -0.14 2.79 0.52 -1.26 -2.06 118.95 124.49 2aff s ARG 38 Ca 0.04 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.09 2aff s ARG 38 Cb -0.13 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 31.99 2aff s ARG 38 CO -0.07 0.46 -0.17 0.42 0.02 0.00 0.00 175.30 175.96 2aff s ILE 39 N -0.12 2.59 0.00 1.52 1.01 -1.13 -4.97 121.20 120.10 2aff s ILE 39 Ca 0.11 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 2aff s ILE 39 Cb -0.11 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 2aff s ILE 39 CO 0.00 0.53 1.89 0.00 0.00 0.00 0.00 174.94 177.36 2aff n GLN 40 N 3.88 0.97 -5.12 2.79 6.02 -1.26 -4.46 117.38 120.20 2aff n GLN 40 Ca -0.19 -0.20 -0.32 0.00 -0.01 0.00 0.00 57.00 56.28 2aff n GLN 40 Cb 0.52 -1.32 -0.16 0.00 1.02 0.00 0.00 30.24 30.30 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 2.25 0.02 1.08 1.43 -1.26 -5.00 118.68 117.20 2aff s LEU 41 Ca 0.14 -0.48 0.20 0.00 -1.03 0.00 0.00 54.13 52.95 2aff s LEU 41 Cb 0.06 -1.45 0.84 0.00 0.03 0.00 0.00 46.19 45.67 2aff s LEU 41 CO 0.00 0.19 1.63 -0.81 0.23 0.00 0.00 176.35 177.59 2aff n PRO 42 N 3.36 0.01 -0.08 1.29 -0.04 -1.26 -2.39 135.00 135.89 2aff n PRO 42 Ca -0.18 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2aff n PRO 42 Cb 0.53 -1.52 0.27 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 -1.55 0.22 -3.35 0.52 0.24 -1.26 -4.81 118.33 108.34 2aff n VAL 43 Ca 0.05 -0.51 -0.45 0.00 -2.04 0.00 0.00 64.34 61.39 2aff n VAL 43 Cb 0.23 0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 33.45 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 -1.78 5.19 0.90 3.34 1.01 -1.00 -4.94 120.40 123.11 2aff s VAL 44 Ca 0.34 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 2aff s VAL 44 Cb 0.21 -4.19 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 2aff s VAL 44 CO 0.30 -0.67 -0.82 -1.20 0.00 0.00 0.00 175.10 172.72 2aff n SER 45 N 5.31 -5.06 -0.22 3.32 7.64 -1.26 -3.76 113.62 119.59 2aff n SER 45 Ca -0.12 0.14 -0.05 0.00 1.01 0.00 0.00 58.87 59.85 2aff n SER 45 Cb 0.43 -0.65 0.12 0.00 -1.01 0.00 0.00 64.21 63.10 2aff n SER 45 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2aff h LYS 46 N -0.90 1.04 0.00 1.43 1.57 -1.94 -2.66 116.57 115.11 2aff h LYS 46 Ca -0.39 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.08 2aff h LYS 46 Cb 1.18 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 2aff h LYS 46 CO 0.20 0.88 -1.67 1.04 -0.57 0.00 0.00 179.45 179.32 2aff n GLN 47 N -4.27 1.36 0.00 3.15 1.13 -1.26 -2.17 117.38 115.32 2aff n GLN 47 Ca 0.06 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2aff n GLN 47 Cb 0.21 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 -2.20 0.00 -4.43 1.08 -0.00 -1.20 -4.01 115.22 104.46 2aff n HIS 48 Ca -0.11 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.86 2aff n HIS 48 Cb 0.62 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.33 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 0.21 1.44 -0.07 0.00 2.20 -0.59 0.44 119.74 123.37 2aff s LYS 50 Ca -0.04 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 2aff s LYS 50 Cb -0.09 -1.23 -0.02 0.00 -1.51 0.00 0.00 37.83 34.97 2aff s LYS 50 CO 0.01 0.03 -0.17 0.42 -0.36 0.00 0.00 175.35 175.28 2aff s ILE 51 N 0.61 2.82 -0.11 5.43 1.01 0.76 0.86 121.20 132.57 2aff s ILE 51 Ca -0.12 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 51 Cb -0.14 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 2aff s ILE 51 CO 0.03 0.57 -0.21 -1.61 0.00 0.00 0.00 174.94 173.71 2aff s GLU 52 N -0.29 3.11 -0.32 2.79 2.02 0.11 -1.79 118.70 124.34 2aff s GLU 52 Ca 0.02 -0.84 -0.09 0.00 0.02 0.00 0.00 54.97 54.08 2aff s GLU 52 Cb -0.13 -2.40 0.01 0.00 0.10 0.00 0.00 34.13 31.71 2aff s GLU 52 CO 0.03 0.14 0.14 0.42 0.02 0.00 0.00 175.26 176.01 2aff s ILE 53 N 0.45 4.39 -0.00 -1.63 1.01 -0.23 -0.88 121.20 124.30 2aff s ILE 53 Ca -0.15 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 59.94 2aff s ILE 53 Cb -0.17 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2aff s ILE 53 CO 0.06 0.01 -0.10 -1.00 0.00 0.00 0.00 174.94 173.91 2aff s HIS 54 N 1.56 2.81 0.61 3.97 3.76 0.68 -4.91 115.29 123.77 2aff s HIS 54 Ca 0.03 -0.09 0.28 0.00 -0.15 0.00 0.00 55.06 55.13 2aff s HIS 54 Cb -0.18 -1.59 0.96 0.00 1.11 0.00 0.00 32.58 32.89 2aff s HIS 54 CO 0.05 0.32 1.32 0.93 -0.85 0.00 0.00 174.74 176.51 2aff h GLU 55 N 4.68 0.00 0.07 1.40 5.08 -2.01 0.49 114.58 124.28 2aff h GLU 55 Ca -0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2aff h GLU 55 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2aff h GLU 55 CO 0.52 0.00 -0.03 1.96 -1.00 0.00 0.00 179.01 180.46 2aff h GLN 56 N 0.00 -0.08 0.00 2.33 4.20 -2.00 -3.49 115.11 116.06 2aff h GLN 56 Ca 0.52 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.23 2aff h GLN 56 Cb 2.99 0.02 0.00 0.00 0.30 0.00 0.00 27.48 30.78 2aff h GLN 56 CO -0.01 -0.06 0.00 -1.91 -0.67 0.00 0.00 178.83 176.19 2aff n GLU 57 N -2.35 0.00 -4.19 1.46 4.07 0.17 -5.15 120.64 114.66 2aff n GLU 57 Ca -0.01 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.75 2aff n GLU 57 Cb 0.03 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.28 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 -1.00 2.85 -0.11 4.31 0.00 -1.26 -0.23 121.76 126.32 2aff s ALA 58 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.96 2aff s ALA 58 Cb 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 2aff s ALA 58 CO 0.00 -0.14 -0.18 0.42 0.00 0.00 0.00 175.76 175.86 2aff s ILE 59 N 0.99 2.63 -0.17 0.00 1.01 -0.06 0.25 121.20 125.85 2aff s ILE 59 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 2aff s ILE 59 Cb -0.15 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 2aff s ILE 59 CO 0.00 0.54 0.26 -0.22 0.00 0.00 0.00 174.94 175.53 2aff s LEU 60 N 0.23 4.23 -0.11 2.97 2.96 0.95 -0.71 118.68 129.20 2aff s LEU 60 Ca -0.11 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 2aff s LEU 60 Cb -0.16 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 2aff s LEU 60 CO 0.06 0.11 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.08 2aff s HIS 61 N 0.49 2.82 -0.45 5.38 3.76 0.25 -1.18 115.29 126.36 2aff s HIS 61 Ca 0.15 -0.41 -0.18 0.00 -0.15 0.00 0.00 55.06 54.47 2aff s HIS 61 Cb -0.13 -1.79 0.04 0.00 1.11 0.00 0.00 32.58 31.81 2aff s HIS 61 CO 0.03 -0.04 0.49 1.21 -0.85 0.00 0.00 174.74 175.58 2aff s ASN 62 N -0.04 6.20 0.00 1.40 3.04 -1.26 -1.54 114.94 122.74 2aff s ASN 62 Ca -0.02 -0.78 0.21 0.00 0.04 0.00 0.00 52.86 52.31 2aff s ASN 62 Cb -0.14 -2.24 -0.19 0.00 -1.54 0.00 0.00 41.25 37.14 2aff s ASN 62 CO 0.04 -0.67 0.93 0.49 -3.04 0.00 0.00 177.10 174.85 2aff n PHE 63 N 5.72 0.00 -2.26 0.43 3.01 -0.38 -4.85 117.46 119.13 2aff n PHE 63 Ca -0.07 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.99 2aff n PHE 63 Cb 0.47 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 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 -2.95 5.69 0.26 4.37 0.15 -0.30 -4.62 113.70 116.29 2aff s SER 64 Ca 0.09 0.05 0.19 0.00 0.70 0.00 0.00 55.95 56.98 2aff s SER 64 Cb 0.16 -2.54 0.09 0.00 -1.71 0.00 0.00 66.02 62.02 2aff s SER 64 CO 0.84 -2.11 1.28 0.28 1.20 0.00 0.00 173.24 174.73 2aff h SER 65 N 12.75 0.00 0.10 5.45 0.02 -1.91 -3.19 113.55 126.77 2aff h SER 65 Ca -0.27 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.49 2aff h SER 65 Cb 1.11 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.67 2aff h SER 65 CO 1.24 0.27 -0.82 0.74 -1.14 0.00 0.00 176.83 177.11 2aff h THR 66 N 0.00 1.45 -2.72 -2.27 2.02 -1.99 -3.43 112.91 105.96 2aff h THR 66 Ca -0.03 -2.38 -0.50 0.00 0.77 0.00 0.00 66.41 64.26 2aff h THR 66 Cb 1.23 2.93 -0.39 0.00 -1.74 0.00 0.00 68.15 70.19 2aff h THR 66 CO 0.03 0.69 -0.76 0.20 0.37 0.00 0.00 175.52 176.05 2aff s ASN 67 N -6.98 3.27 0.56 4.18 0.01 -1.25 -5.14 114.94 109.58 2aff s ASN 67 Ca -0.13 -1.20 -0.21 0.00 -0.71 0.00 0.00 52.86 50.62 2aff s ASN 67 Cb 0.02 -0.24 -0.05 0.00 0.41 0.00 0.00 41.25 41.39 2aff s ASN 67 CO 0.85 -0.43 1.19 -2.65 -1.51 0.00 0.00 177.10 174.55 2aff n PRO 68 N 5.26 1.36 -2.36 -0.60 -0.02 -1.20 -4.69 135.00 132.76 2aff n PRO 68 Ca -0.06 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.60 2aff n PRO 68 Cb 0.43 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.36 3.79 -0.05 3.45 2.01 -1.26 -4.86 115.64 117.36 2aff s THR 69 Ca 0.73 1.01 0.02 0.00 0.31 0.00 0.00 61.69 63.76 2aff s THR 69 Cb -0.43 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 2aff s THR 69 CO 0.49 -0.34 -0.08 -1.10 -0.69 0.00 0.00 174.62 172.90 2aff s GLN 70 N -3.55 2.67 -0.04 4.92 -0.21 -0.32 -1.59 119.66 121.54 2aff s GLN 70 Ca 0.66 -0.60 0.03 0.00 0.02 0.00 0.00 55.36 55.46 2aff s GLN 70 Cb -0.16 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.32 2aff s GLN 70 CO 0.26 0.65 -0.12 0.08 -2.12 0.00 0.00 175.29 174.04 2aff s VAL 71 N -0.83 1.01 -1.18 1.09 1.01 0.48 0.21 120.40 122.19 2aff s VAL 71 Ca 0.13 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 2aff s VAL 71 Cb -0.11 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.39 2aff s VAL 71 CO 0.02 0.31 0.19 0.59 0.00 0.00 0.00 175.10 176.21 2aff n ASN 72 N 3.37 -4.12 -0.94 3.32 3.02 -0.36 0.91 115.26 120.46 2aff n ASN 72 Ca -0.19 -0.02 -0.09 0.00 -0.03 0.00 0.00 54.58 54.26 2aff n ASN 72 Cb 0.53 -3.45 -0.01 0.00 -0.61 0.00 0.00 39.78 36.25 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 0.11 2.93 7.41 0.00 -1.26 -5.03 105.19 108.36 2aff n GLY 73 Ca -0.11 -0.54 -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 -2.64 -0.06 0.33 1.61 0.01 0.26 -5.09 113.70 108.12 2aff s SER 74 Ca 0.00 0.14 -0.28 0.00 1.31 0.00 0.00 55.95 57.11 2aff s SER 74 Cb 0.00 0.12 -0.10 0.00 0.21 0.00 0.00 66.02 66.25 2aff s SER 74 CO 0.00 -0.04 1.26 -0.69 0.41 0.00 0.00 173.24 174.18 2aff s VAL 75 N 0.20 2.86 -0.58 3.43 1.01 -1.26 0.18 120.40 126.24 2aff s VAL 75 Ca -0.01 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 62.79 2aff s VAL 75 Cb -0.02 -3.53 0.15 0.00 0.00 0.00 0.00 36.38 32.98 2aff s VAL 75 CO -0.01 0.19 0.39 0.27 0.00 0.00 0.00 175.10 175.94 2aff s ILE 76 N -1.17 3.58 0.42 2.22 -4.36 -0.62 -4.87 121.20 116.39 2aff s ILE 76 Ca 0.49 -2.82 0.15 0.00 -0.26 0.00 0.00 60.65 58.22 2aff s ILE 76 Cb -0.38 -3.36 0.17 0.00 1.25 0.00 0.00 42.46 40.14 2aff s ILE 76 CO 0.50 -0.84 1.96 0.44 0.24 0.00 0.00 174.94 177.23 2aff h ASP 77 N 7.18 0.00 -1.88 4.36 3.32 -1.95 -3.43 116.42 124.03 2aff h ASP 77 Ca -0.04 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.40 2aff h ASP 77 Cb 0.97 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 2aff h ASP 77 CO 0.71 0.23 -0.52 -1.61 -1.72 0.00 0.00 179.24 176.33 2aff s GLU 78 N -4.46 2.04 0.53 3.56 2.02 -1.26 -4.94 118.70 116.18 2aff s GLU 78 Ca -0.03 -2.27 -0.22 0.00 0.02 0.00 0.00 54.97 52.46 2aff s GLU 78 Cb 0.15 -1.05 -0.05 0.00 0.10 0.00 0.00 34.13 33.28 2aff s GLU 78 CO 0.69 -0.41 1.38 -2.14 0.02 0.00 0.00 175.26 174.80 2aff s PRO 79 N -3.79 3.23 0.00 0.39 0.02 -1.26 -4.68 135.00 128.91 2aff s PRO 79 Ca 0.16 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.48 2aff s PRO 79 Cb 0.02 -2.33 -0.00 0.00 0.02 0.00 0.00 34.50 32.21 2aff s PRO 79 CO 0.10 -1.13 -0.03 0.54 -0.33 0.00 0.00 177.00 176.14 2aff s VAL 80 N -1.28 0.25 0.05 3.83 0.11 -0.32 -5.00 120.40 118.04 2aff s VAL 80 Ca 0.70 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 59.21 2aff s VAL 80 Cb -0.41 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 2aff s VAL 80 CO 0.50 0.01 0.98 -0.60 -3.33 0.00 0.00 175.10 172.65 2aff s ARG 81 N -0.25 4.62 0.13 1.54 3.52 -1.26 -0.03 118.95 127.21 2aff s ARG 81 Ca -0.01 1.44 -0.25 0.00 -0.13 0.00 0.00 55.73 56.79 2aff s ARG 81 Cb -0.02 -3.42 -0.07 0.00 -1.56 0.00 0.00 34.95 29.87 2aff s ARG 81 CO -0.00 0.06 0.76 -0.51 -0.81 0.00 0.00 175.30 174.80 2aff s LEU 82 N 0.58 4.55 0.09 -0.88 1.43 0.14 -4.90 118.68 119.69 2aff s LEU 82 Ca 0.50 1.57 0.05 0.00 -1.03 0.00 0.00 54.13 55.22 2aff s LEU 82 Cb -0.22 -3.26 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 2aff s LEU 82 CO 0.29 0.16 -0.13 -0.54 0.23 0.00 0.00 176.35 176.35 2aff s LYS 83 N -0.82 0.88 -0.09 1.70 1.02 -1.26 -4.48 119.74 116.69 2aff s LYS 83 Ca 0.36 -1.08 -0.33 0.00 0.02 0.00 0.00 55.97 54.94 2aff s LYS 83 Cb -0.22 -0.78 -0.11 0.00 -0.52 0.00 0.00 37.83 36.20 2aff s LYS 83 CO 0.25 0.16 1.93 1.58 -0.92 0.00 0.00 175.35 178.35 2aff n HIS 84 N 0.90 2.31 0.00 3.18 -0.00 -1.26 -0.56 115.22 119.79 2aff n HIS 84 Ca -0.18 -0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.48 2aff n HIS 84 Cb 0.56 -2.69 0.00 0.00 -0.00 0.00 0.00 29.99 27.86 2aff n HIS 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2aff n GLY 85 N 4.60 0.65 3.69 1.57 0.00 -1.02 -5.00 105.19 109.68 2aff n GLY 85 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.97 7.08 -0.15 1.61 -1.08 0.28 -4.87 116.67 117.56 2aff s ASP 86 Ca 0.00 1.84 -0.04 0.00 -0.52 0.00 0.00 52.55 53.82 2aff s ASP 86 Cb 0.00 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.86 2aff s ASP 86 CO 0.00 -0.53 -0.01 -0.69 0.52 0.00 0.00 175.17 174.46 2aff s VAL 87 N 1.88 4.19 -0.15 1.11 1.01 -1.26 -1.92 120.40 125.25 2aff s VAL 87 Ca 0.56 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.16 2aff s VAL 87 Cb -0.25 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2aff s VAL 87 CO 0.24 0.50 0.26 -0.63 0.00 0.00 0.00 175.10 175.46 2aff s ILE 88 N 0.22 5.32 -0.12 2.22 1.01 -0.70 -1.22 121.20 127.92 2aff s ILE 88 Ca -0.00 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.14 2aff s ILE 88 Cb -0.13 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2aff s ILE 88 CO 0.02 0.43 -0.19 -0.89 0.00 0.00 0.00 174.94 174.31 2aff s THR 89 N 0.23 1.80 -0.18 2.92 2.01 0.57 -0.46 115.64 122.53 2aff s THR 89 Ca 0.15 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 2aff s THR 89 Cb -0.13 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 2aff s THR 89 CO 0.03 0.50 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.74 2aff s ILE 90 N 0.88 3.17 0.00 1.82 1.01 0.83 -1.17 121.20 127.73 2aff s ILE 90 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 59.99 2aff s ILE 90 Cb -0.15 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.93 2aff s ILE 90 CO -0.01 0.48 0.00 -0.38 0.00 0.00 0.00 174.94 175.02 2aff n ILE 91 N 4.22 0.00 -1.05 2.92 5.41 -1.26 0.32 119.36 129.92 2aff n ILE 91 Ca -0.18 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 0.19 0.00 -0.71 0.00 0.00 39.64 39.63 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2aff n ASP 92 N 2.26 2.95 -4.11 4.38 2.03 -1.26 -4.99 116.55 117.80 2aff n ASP 92 Ca 0.00 -3.08 -0.21 0.00 0.52 0.00 0.00 54.79 52.02 2aff n ASP 92 Cb 0.00 -0.48 -0.14 0.00 -0.72 0.00 0.00 41.12 39.78 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 -2.87 1.00 0.03 -0.67 0.52 0.96 -4.57 118.95 113.34 2aff s ARG 93 Ca 0.36 -0.58 -0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 93 Cb 0.31 -0.98 -0.02 0.00 0.52 0.00 0.00 34.95 34.78 2aff s ARG 93 CO 0.05 0.26 -0.01 0.45 0.02 0.00 0.00 175.30 176.07 2aff s SER 94 N -0.64 0.28 -0.14 0.23 0.15 -1.26 0.29 113.70 112.60 2aff s SER 94 Ca 0.04 -0.59 0.01 0.00 0.70 0.00 0.00 55.95 56.10 2aff s SER 94 Cb -0.06 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.40 2aff s SER 94 CO 0.00 -0.38 -0.16 -0.36 1.20 0.00 0.00 173.24 173.54 2aff s PHE 95 N -2.05 2.29 0.05 3.44 0.40 0.40 -1.46 117.98 121.05 2aff s PHE 95 Ca -0.10 -1.24 -0.26 0.00 -0.60 0.00 0.00 56.93 54.73 2aff s PHE 95 Cb -0.06 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 2aff s PHE 95 CO -0.03 -0.64 0.80 1.03 0.70 0.00 0.00 175.22 177.08 2aff s ARG 96 N 1.24 4.52 -0.25 0.44 0.52 -0.82 -1.73 118.95 122.88 2aff s ARG 96 Ca 0.01 1.12 -0.17 0.00 -0.52 0.00 0.00 55.73 56.17 2aff s ARG 96 Cb -0.14 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 2aff s ARG 96 CO -0.08 0.25 0.49 -0.47 0.02 0.00 0.00 175.30 175.51 2aff s TYR 97 N 0.04 3.28 -0.19 -0.53 5.04 -0.81 -2.13 117.35 122.06 2aff s TYR 97 Ca 0.40 0.62 0.01 0.00 -2.44 0.00 0.00 57.07 55.66 2aff s TYR 97 Cb -0.21 -2.68 0.03 0.00 0.35 0.00 0.00 41.96 39.45 2aff s TYR 97 CO 0.24 -0.24 -0.13 -1.21 -1.34 0.00 0.00 175.55 172.87 2aff s GLU 98 N 2.14 2.29 -0.40 4.97 2.02 -0.56 -2.44 118.70 126.72 2aff s GLU 98 Ca 0.21 -0.81 -0.10 0.00 0.02 0.00 0.00 54.97 54.28 2aff s GLU 98 Cb -0.16 -2.41 0.05 0.00 0.10 0.00 0.00 34.13 31.72 2aff s GLU 98 CO 0.09 -0.35 0.23 1.21 0.02 0.00 0.00 175.26 176.46 2aff s ASN 99 N 1.37 5.69 0.00 -0.19 2.47 -1.26 -1.09 114.94 121.93 2aff s ASN 99 Ca 0.01 -1.24 0.31 0.00 0.42 0.00 0.00 52.86 52.36 2aff s ASN 99 Cb -0.15 -2.01 1.84 0.00 -1.45 0.00 0.00 41.25 39.48 2aff s ASN 99 CO -0.09 -0.46 2.17 1.21 -3.72 0.00 0.00 177.10 176.20