#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 1.44 -3.47 0.52 -2.24 -1.26 -4.94 114.28 104.33 2aff n THR 4 Ca 0.00 -0.39 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 2aff n THR 4 Cb 0.00 -1.79 -0.07 0.00 -2.10 0.00 0.00 70.33 66.37 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 -2.48 4.25 -0.02 -0.78 0.52 -1.26 -1.34 118.95 117.84 2aff s ARG 5 Ca -0.36 0.22 0.04 0.00 -0.52 0.00 0.00 55.73 55.11 2aff s ARG 5 Cb 0.13 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 2aff s ARG 5 CO 0.48 0.24 -0.15 1.03 0.02 0.00 0.00 175.30 176.92 2aff s ARG 6 N 0.41 1.35 -0.16 3.54 0.52 -0.47 -1.80 118.95 122.34 2aff s ARG 6 Ca 0.20 -0.52 -0.05 0.00 -0.52 0.00 0.00 55.73 54.84 2aff s ARG 6 Cb -0.14 -1.25 -0.03 0.00 0.52 0.00 0.00 34.95 34.05 2aff s ARG 6 CO 0.06 0.27 0.00 -1.17 0.02 0.00 0.00 175.30 174.48 2aff s LEU 7 N -0.14 3.49 -0.16 2.53 2.96 -0.90 -2.21 118.68 124.25 2aff s LEU 7 Ca 0.01 -0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 2aff s LEU 7 Cb -0.08 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 2aff s LEU 7 CO 0.00 0.19 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.48 2aff s VAL 8 N 0.24 3.72 -0.41 1.68 1.01 -0.84 0.90 120.40 126.71 2aff s VAL 8 Ca -0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2aff s VAL 8 Cb -0.13 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.64 2aff s VAL 8 CO 0.02 0.49 0.66 -0.89 0.00 0.00 0.00 175.10 175.38 2aff s THR 9 N 0.43 4.82 0.33 3.92 2.01 -0.82 -1.68 115.64 124.66 2aff s THR 9 Ca -0.05 0.35 -0.19 0.00 0.31 0.00 0.00 61.69 62.11 2aff s THR 9 Cb -0.15 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.10 2aff s THR 9 CO 0.03 -0.50 0.83 -0.63 -0.69 0.00 0.00 174.62 173.66 2aff s ILE 10 N 2.85 4.50 0.51 1.82 1.01 -0.96 -1.52 121.20 129.40 2aff s ILE 10 Ca 0.24 1.31 0.02 0.00 0.00 0.00 0.00 60.65 62.23 2aff s ILE 10 Cb -0.14 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.63 2aff s ILE 10 CO 0.18 -0.10 0.72 -0.54 0.00 0.00 0.00 174.94 175.20 2aff s LYS 11 N -2.70 2.70 0.53 2.79 1.02 0.15 -4.40 119.74 119.83 2aff s LYS 11 Ca 0.54 -0.77 0.20 0.00 0.02 0.00 0.00 55.97 55.96 2aff s LYS 11 Cb -0.12 -2.54 1.34 0.00 -0.52 0.00 0.00 37.83 35.98 2aff s LYS 11 CO 0.18 -0.55 2.10 0.00 -0.92 0.00 0.00 175.35 176.16 2aff h ARG 12 N 0.23 0.00 -0.00 1.68 3.08 -1.89 0.25 114.38 117.73 2aff h ARG 12 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2aff h ARG 12 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2aff h ARG 12 CO 0.53 0.00 -0.02 -1.13 -1.07 0.00 0.00 179.97 178.28 2aff n SER 13 N -4.44 0.05 0.00 7.04 3.41 -1.26 -4.89 113.62 113.53 2aff n SER 13 Ca 0.02 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2aff n SER 13 Cb 0.28 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aff n GLY 14 N 1.32 0.77 3.61 5.00 0.00 0.88 -5.07 105.19 111.70 2aff n GLY 14 Ca 0.13 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 3.86 -0.03 1.61 -7.23 -1.25 -4.82 120.40 110.54 2aff s VAL 15 Ca 0.00 -0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 59.40 2aff s VAL 15 Cb 0.00 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 2aff s VAL 15 CO 0.00 0.56 1.50 -0.62 -0.31 0.00 0.00 175.10 176.23 2aff s ASP 16 N -0.96 6.77 0.00 4.85 -1.08 -1.26 -0.68 116.67 124.32 2aff s ASP 16 Ca 0.14 2.14 0.00 0.00 -0.52 0.00 0.00 52.55 54.31 2aff s ASP 16 Cb -0.11 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 2aff s ASP 16 CO 0.03 -0.81 0.00 0.61 0.52 0.00 0.00 175.17 175.52 2aff n GLY 17 N 3.84 1.60 3.80 2.66 0.00 -0.57 -4.94 105.19 111.59 2aff n GLY 17 Ca 0.15 -0.32 -0.33 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 4.19 3.43 0.19 1.61 0.04 -1.26 -4.75 135.00 138.46 2aff s PRO 18 Ca 0.00 1.21 0.07 0.00 0.04 0.00 0.00 61.00 62.32 2aff s PRO 18 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2aff s PRO 18 CO 0.00 -0.72 0.06 -3.38 0.04 0.00 0.00 177.00 173.00 2aff s HIS 19 N -2.39 2.94 -0.44 0.56 -3.43 -1.26 -1.94 115.29 109.33 2aff s HIS 19 Ca 0.64 -0.11 0.02 0.00 -0.80 0.00 0.00 55.06 54.81 2aff s HIS 19 Cb -0.16 -1.40 0.13 0.00 -1.43 0.00 0.00 32.58 29.72 2aff s HIS 19 CO 0.34 0.53 0.21 0.12 -2.00 0.00 0.00 174.74 173.94 2aff s PHE 20 N -1.85 2.49 0.12 0.38 5.36 0.26 -4.95 117.98 119.79 2aff s PHE 20 Ca 0.29 -2.62 -0.32 0.00 -0.96 0.00 0.00 56.93 53.32 2aff s PHE 20 Cb -0.09 -2.25 -0.12 0.00 -0.34 0.00 0.00 43.02 40.22 2aff s PHE 20 CO 0.21 -0.80 1.75 -2.30 -1.46 0.00 0.00 175.22 172.62 2aff n PRO 21 N 3.66 2.54 -1.13 10.12 -0.02 -1.26 -2.12 135.00 146.77 2aff n PRO 21 Ca 0.06 0.92 -0.24 0.00 -2.02 0.00 0.00 63.50 62.22 2aff n PRO 21 Cb 0.35 -2.77 -0.11 0.00 -0.02 0.00 0.00 33.50 30.96 2aff n PRO 21 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aff n LEU 22 N 4.87 6.77 -0.29 2.45 4.77 -0.74 -4.50 117.00 130.31 2aff n LEU 22 Ca 0.18 -3.69 -0.05 0.00 -0.03 0.00 0.00 56.01 52.41 2aff n LEU 22 Cb 0.34 -1.48 0.07 0.00 -2.33 0.00 0.00 43.42 40.01 2aff n LEU 22 CO 0.66 1.86 1.09 -1.28 -1.33 0.00 0.00 177.39 178.39 2aff h SER 23 N 3.86 1.05 -3.95 -1.43 0.87 -1.89 -3.43 113.55 108.64 2aff h SER 23 Ca 0.49 -0.14 -0.51 0.00 -1.23 0.00 0.00 61.79 60.40 2aff h SER 23 Cb 0.99 -0.27 0.05 0.00 -0.44 0.00 0.00 62.40 62.73 2aff h SER 23 CO 0.90 0.90 0.50 -0.76 -0.53 0.00 0.00 176.83 177.84 2aff s LEU 24 N -9.82 4.16 0.47 2.23 1.43 -1.26 -4.92 118.68 110.98 2aff s LEU 24 Ca -0.13 2.33 0.32 0.00 -1.03 0.00 0.00 54.13 55.62 2aff s LEU 24 Cb 0.16 -4.06 1.50 0.00 0.03 0.00 0.00 46.19 43.82 2aff s LEU 24 CO 0.83 -0.70 1.96 -1.28 0.23 0.00 0.00 176.35 177.38 2aff h SER 25 N 2.54 0.00 -3.70 2.29 0.87 -1.93 -3.42 113.55 110.20 2aff h SER 25 Ca -0.49 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 59.65 2aff h SER 25 Cb 1.24 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.88 2aff h SER 25 CO 0.62 0.00 -0.78 -0.89 -0.53 0.00 0.00 176.83 175.25 2aff s THR 26 N -3.68 0.75 -0.16 2.23 2.01 -1.26 -1.45 115.64 114.08 2aff s THR 26 Ca -0.00 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.68 2aff s THR 26 Cb 0.10 -0.68 0.04 0.00 0.01 0.00 0.00 72.50 71.96 2aff s THR 26 CO 0.42 0.25 -0.08 0.00 -0.69 0.00 0.00 174.62 174.51 2aff s LEU 28 N 1.59 2.64 -0.08 0.00 2.96 -1.26 -0.22 118.68 124.30 2aff s LEU 28 Ca 0.02 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2aff s LEU 28 Cb -0.14 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2aff s LEU 28 CO -0.08 0.17 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.72 2aff s PHE 29 N 0.33 3.05 -5.00 5.38 0.40 0.10 -0.12 117.98 122.12 2aff s PHE 29 Ca -0.12 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 2aff s PHE 29 Cb -0.16 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.60 2aff s PHE 29 CO 0.06 0.37 0.00 0.41 0.70 0.00 0.00 175.22 176.76 2aff n GLY 30 N 2.29 -0.91 0.15 4.36 0.00 -0.90 -2.46 105.19 107.72 2aff n GLY 30 Ca -0.18 -1.55 -0.07 0.00 0.00 0.00 0.00 46.02 44.22 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 2.82 0.23 -6.32 1.61 3.08 -1.29 -2.99 114.38 111.52 2aff h ARG 31 Ca 0.00 -0.20 -0.63 0.00 0.07 0.00 0.00 59.98 59.22 2aff h ARG 31 Cb 0.00 0.05 0.11 0.00 0.08 0.00 0.00 29.97 30.21 2aff h ARG 31 CO 0.00 0.87 -0.07 0.41 -1.07 0.00 0.00 179.97 180.12 2aff n GLY 32 N 0.58 -0.71 0.19 0.04 0.00 -0.95 -4.84 105.19 99.51 2aff n GLY 32 Ca -0.03 0.34 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 1.71 1.23 0.00 -0.61 1.08 -1.91 -2.11 117.51 116.91 2aff h ILE 33 Ca -0.36 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 2aff h ILE 33 Cb 1.37 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.19 2aff h ILE 33 CO 0.60 0.28 0.07 -1.84 -0.69 0.00 0.00 178.15 176.57 2aff n GLU 34 N -4.57 0.10 -1.88 2.37 0.28 -1.26 -4.63 120.64 111.06 2aff n GLU 34 Ca -0.01 0.59 -0.42 0.00 -0.16 0.00 0.00 57.16 57.16 2aff n GLU 34 Cb 0.22 -1.91 -0.03 0.00 1.43 0.00 0.00 31.44 31.15 2aff n GLU 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2aff h ASP 36 N 6.35 0.09 -3.19 0.00 3.32 -0.78 -3.38 116.42 118.84 2aff h ASP 36 Ca -0.44 -0.01 -0.55 0.00 0.02 0.00 0.00 57.03 56.06 2aff h ASP 36 Cb 1.21 -0.02 -0.37 0.00 0.22 0.00 0.00 39.33 40.37 2aff h ASP 36 CO 0.89 0.13 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.10 2aff s ILE 37 N -5.00 1.15 -0.16 0.35 1.01 -0.07 -4.94 121.20 113.54 2aff s ILE 37 Ca -0.05 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 2aff s ILE 37 Cb 0.17 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 2aff s ILE 37 CO 0.69 0.35 0.13 -0.13 0.00 0.00 0.00 174.94 175.99 2aff s ARG 38 N 1.65 3.77 -0.10 2.79 0.52 -1.26 -2.12 118.95 124.20 2aff s ARG 38 Ca 0.04 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 2aff s ARG 38 Cb -0.13 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.05 2aff s ARG 38 CO -0.09 0.57 -0.22 0.42 0.02 0.00 0.00 175.30 176.00 2aff s ILE 39 N -0.41 1.92 0.00 1.52 1.01 -1.13 -4.96 121.20 119.16 2aff s ILE 39 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.84 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 0.01 0.53 1.09 0.00 0.00 0.00 0.00 174.94 176.57 2aff n GLN 40 N 3.68 0.97 -3.60 2.79 6.02 -1.26 -4.51 117.38 121.46 2aff n GLN 40 Ca -0.20 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.43 2aff n GLN 40 Cb 0.53 -1.02 -0.08 0.00 1.02 0.00 0.00 30.24 30.69 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 0.14 1.08 1.43 -1.26 -4.97 118.68 119.29 2aff s LEU 41 Ca 0.00 0.35 0.22 0.00 -1.03 0.00 0.00 54.13 53.66 2aff s LEU 41 Cb 0.00 -2.25 0.87 0.00 0.03 0.00 0.00 46.19 44.84 2aff s LEU 41 CO 0.00 0.09 1.67 -0.81 0.23 0.00 0.00 176.35 177.53 2aff n PRO 42 N 3.81 0.12 -0.26 1.29 -0.04 -1.26 -2.39 135.00 136.27 2aff n PRO 42 Ca -0.13 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 2aff n PRO 42 Cb 0.52 -1.70 0.26 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.93 0.70 -3.56 0.52 0.24 -1.26 -4.90 118.33 108.14 2aff n VAL 43 Ca 0.04 -0.85 -0.37 0.00 -2.04 0.00 0.00 64.34 61.11 2aff n VAL 43 Cb 0.25 0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 33.36 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 -1.29 5.23 0.92 3.34 1.01 -1.00 -4.94 120.40 123.67 2aff s VAL 44 Ca 0.43 0.63 -0.11 0.00 0.00 0.00 0.00 61.98 62.92 2aff s VAL 44 Cb 0.24 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 33.12 2aff s VAL 44 CO 0.32 0.48 1.09 -0.55 0.00 0.00 0.00 175.10 176.45 2aff s SER 45 N -0.28 3.22 0.17 3.32 0.15 -1.26 -4.59 113.70 114.43 2aff s SER 45 Ca 0.19 1.60 -0.12 0.00 0.70 0.00 0.00 55.95 58.33 2aff s SER 45 Cb -0.14 -2.26 0.08 0.00 -1.71 0.00 0.00 66.02 61.98 2aff s SER 45 CO 0.08 -2.82 1.72 0.11 1.20 0.00 0.00 173.24 173.53 2aff h LYS 46 N -1.67 0.92 0.00 5.44 1.57 -1.93 -2.44 116.57 118.45 2aff h LYS 46 Ca -0.50 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.04 2aff h LYS 46 Cb 1.28 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2aff h LYS 46 CO 0.52 0.80 -1.60 1.04 -0.57 0.00 0.00 179.45 179.63 2aff n GLN 47 N -4.43 0.92 0.00 3.15 1.13 -1.26 -2.23 117.38 114.65 2aff n GLN 47 Ca 0.04 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 2aff n GLN 47 Cb 0.18 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.25 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 -2.06 0.00 -4.30 1.08 -0.00 -1.18 -4.02 115.22 104.74 2aff n HIS 48 Ca -0.07 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.92 2aff n HIS 48 Cb 0.47 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.19 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 0.14 1.77 -0.11 0.00 2.20 -0.41 0.03 119.74 123.35 2aff s LYS 50 Ca -0.02 -0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 55.14 2aff s LYS 50 Cb -0.07 -1.45 -0.02 0.00 -1.51 0.00 0.00 37.83 34.78 2aff s LYS 50 CO 0.00 0.05 -0.10 0.42 -0.36 0.00 0.00 175.35 175.36 2aff s ILE 51 N 0.60 3.35 -0.15 5.43 1.01 0.69 0.27 121.20 132.39 2aff s ILE 51 Ca -0.14 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 59.94 2aff s ILE 51 Cb -0.16 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 39.91 2aff s ILE 51 CO 0.04 0.54 -0.16 -0.70 0.00 0.00 0.00 174.94 174.66 2aff s GLU 52 N -0.03 3.18 -0.23 2.79 2.12 0.16 -2.03 118.70 124.67 2aff s GLU 52 Ca -0.02 -0.77 -0.08 0.00 0.36 0.00 0.00 54.97 54.47 2aff s GLU 52 Cb -0.14 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 2aff s GLU 52 CO 0.03 0.01 0.08 0.42 -0.54 0.00 0.00 175.26 175.27 2aff s ILE 53 N 0.82 4.64 -0.05 -3.70 1.01 -0.53 -0.37 121.20 123.02 2aff s ILE 53 Ca -0.05 -0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.58 2aff s ILE 53 Cb -0.15 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2aff s ILE 53 CO -0.00 0.37 -0.22 -1.00 0.00 0.00 0.00 174.94 174.09 2aff s HIS 54 N 1.16 2.50 0.55 3.97 3.76 0.83 -4.92 115.29 123.13 2aff s HIS 54 Ca 0.05 -0.51 0.47 0.00 -0.15 0.00 0.00 55.06 54.92 2aff s HIS 54 Cb -0.14 -1.60 1.62 0.00 1.11 0.00 0.00 32.58 33.57 2aff s HIS 54 CO 0.04 -0.08 1.50 0.39 -0.85 0.00 0.00 174.74 175.74 2aff n GLU 55 N 2.71 0.00 0.13 1.40 -0.58 -1.26 0.84 120.64 123.89 2aff n GLU 55 Ca -0.17 1.05 -0.05 0.00 -0.42 0.00 0.00 57.16 57.57 2aff n GLU 55 Cb 0.52 -2.44 -0.03 0.00 -0.57 0.00 0.00 31.44 28.92 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2aff h GLN 56 N 0.00 -0.34 0.00 3.49 1.08 -2.02 -3.49 115.11 113.84 2aff h GLN 56 Ca 0.88 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 58.10 2aff h GLN 56 Cb 3.63 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 31.13 2aff h GLN 56 CO -0.01 -0.23 0.00 -0.85 -0.95 0.00 0.00 178.83 176.79 2aff n GLU 57 N -3.20 0.00 -4.41 1.46 0.28 0.25 -5.16 120.64 109.86 2aff n GLU 57 Ca -0.04 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.62 2aff n GLU 57 Cb 0.14 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.89 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 -1.13 3.02 -0.17 -1.84 0.00 -1.26 -0.12 121.76 120.26 2aff s ALA 58 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 2aff s ALA 58 Cb 0.00 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 2aff s ALA 58 CO 0.00 0.25 -0.08 0.42 0.00 0.00 0.00 175.76 176.35 2aff s ILE 59 N 0.26 3.31 -0.25 0.00 -1.09 0.51 -0.54 121.20 123.39 2aff s ILE 59 Ca -0.03 -0.54 -0.11 0.00 -2.23 0.00 0.00 60.65 57.74 2aff s ILE 59 Cb -0.14 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.24 2aff s ILE 59 CO 0.03 0.48 0.18 -0.22 -1.23 0.00 0.00 174.94 174.18 2aff s LEU 60 N 0.81 4.09 -0.11 2.97 2.96 0.12 -0.67 118.68 128.85 2aff s LEU 60 Ca -0.03 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 2aff s LEU 60 Cb -0.15 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2aff s LEU 60 CO 0.01 0.02 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.98 2aff s HIS 61 N 1.30 2.91 -0.43 5.38 3.76 0.14 -1.75 115.29 126.60 2aff s HIS 61 Ca 0.08 -0.25 -0.15 0.00 -0.15 0.00 0.00 55.06 54.59 2aff s HIS 61 Cb -0.14 -1.81 0.04 0.00 1.11 0.00 0.00 32.58 31.78 2aff s HIS 61 CO 0.07 0.08 0.34 0.54 -0.85 0.00 0.00 174.74 174.92 2aff s ASN 62 N -0.18 6.13 0.00 1.40 4.22 -1.26 -1.28 114.94 123.96 2aff s ASN 62 Ca 0.02 -1.04 0.22 0.00 -2.14 0.00 0.00 52.86 49.91 2aff s ASN 62 Cb -0.13 -2.17 -0.03 0.00 1.28 0.00 0.00 41.25 40.20 2aff s ASN 62 CO 0.03 -0.52 1.04 0.49 -2.04 0.00 0.00 177.10 176.09 2aff n PHE 63 N 5.19 0.00 -2.41 1.54 3.01 -0.52 -4.84 117.46 119.44 2aff n PHE 63 Ca -0.11 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.94 2aff n PHE 63 Cb 0.46 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 2aff n PHE 63 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2aff s SER 64 N -2.97 5.92 0.12 4.37 0.01 -0.44 -4.63 113.70 116.09 2aff s SER 64 Ca 0.10 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.15 2aff s SER 64 Cb 0.17 -2.55 -0.17 0.00 0.21 0.00 0.00 66.02 63.67 2aff s SER 64 CO 0.81 -1.98 1.28 0.77 0.41 0.00 0.00 173.24 174.53 2aff h SER 65 N 11.35 0.13 -0.15 2.44 4.64 -1.91 -2.90 113.55 127.15 2aff h SER 65 Ca -0.27 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 2aff h SER 65 Cb 1.08 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 2aff h SER 65 CO 1.26 1.06 0.04 0.74 -0.87 0.00 0.00 176.83 179.06 2aff h THR 66 N 0.03 1.19 -2.10 2.95 2.02 -2.00 -3.41 112.91 111.59 2aff h THR 66 Ca -0.04 -0.61 -0.32 0.00 0.77 0.00 0.00 66.41 66.21 2aff h THR 66 Cb 1.74 1.32 -0.33 0.00 -1.74 0.00 0.00 68.15 69.15 2aff h THR 66 CO 0.14 0.18 -0.63 0.20 0.37 0.00 0.00 175.52 175.78 2aff s ASN 67 N -5.62 1.54 0.61 4.18 0.01 -1.24 -5.15 114.94 109.27 2aff s ASN 67 Ca -0.14 -0.80 -0.18 0.00 -0.71 0.00 0.00 52.86 51.02 2aff s ASN 67 Cb 0.06 0.55 -0.04 0.00 0.41 0.00 0.00 41.25 42.24 2aff s ASN 67 CO 0.70 -0.38 1.05 -2.65 -1.51 0.00 0.00 177.10 174.31 2aff n PRO 68 N 5.22 0.96 -2.16 -0.60 -0.02 -1.09 -4.72 135.00 132.58 2aff n PRO 68 Ca -0.01 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 2aff n PRO 68 Cb 0.46 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.48 2.88 -0.04 3.45 2.01 -1.26 -4.78 115.64 116.41 2aff s THR 69 Ca 0.77 0.84 -0.04 0.00 0.31 0.00 0.00 61.69 63.58 2aff s THR 69 Cb -0.41 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2aff s THR 69 CO 0.45 0.18 0.16 -1.10 -0.69 0.00 0.00 174.62 173.63 2aff s GLN 70 N -1.37 3.40 -0.03 4.92 -0.21 -0.73 -1.64 119.66 124.01 2aff s GLN 70 Ca 0.50 -0.29 0.03 0.00 0.02 0.00 0.00 55.36 55.62 2aff s GLN 70 Cb -0.39 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.53 2aff s GLN 70 CO 0.48 0.70 -0.10 0.54 -2.12 0.00 0.00 175.29 174.79 2aff s VAL 71 N -1.24 0.89 -1.06 1.09 0.11 0.61 0.21 120.40 121.01 2aff s VAL 71 Ca 0.24 -0.43 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 2aff s VAL 71 Cb -0.12 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 33.96 2aff s VAL 71 CO 0.15 0.27 0.09 0.59 -3.33 0.00 0.00 175.10 172.86 2aff n ASN 72 N 3.21 -3.82 -0.69 3.54 3.02 -0.16 0.17 115.26 120.53 2aff n ASN 72 Ca -0.18 0.11 -0.07 0.00 -0.03 0.00 0.00 54.58 54.42 2aff n ASN 72 Cb 0.54 -3.23 -0.01 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 -0.86 0.40 2.94 7.41 0.00 -1.26 -5.03 105.19 108.79 2aff n GLY 73 Ca -0.12 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.78 0.68 0.26 1.61 0.15 0.45 -5.09 113.70 108.98 2aff s SER 74 Ca 0.00 -0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.25 2aff s SER 74 Cb 0.00 -0.14 -0.10 0.00 -1.71 0.00 0.00 66.02 64.07 2aff s SER 74 CO 0.00 0.04 1.37 -0.69 1.20 0.00 0.00 173.24 175.16 2aff s VAL 75 N 0.10 2.79 -0.52 4.45 1.01 -1.26 0.22 120.40 127.19 2aff s VAL 75 Ca -0.01 0.69 -0.15 0.00 0.00 0.00 0.00 61.98 62.52 2aff s VAL 75 Cb -0.05 -3.44 0.12 0.00 0.00 0.00 0.00 36.38 33.01 2aff s VAL 75 CO -0.00 0.13 0.45 -0.63 0.00 0.00 0.00 175.10 175.05 2aff s ILE 76 N -0.33 5.03 0.18 2.22 1.01 -0.65 -4.85 121.20 123.80 2aff s ILE 76 Ca 0.56 -1.48 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 2aff s ILE 76 Cb -0.40 -4.20 0.09 0.00 0.01 0.00 0.00 42.46 37.96 2aff s ILE 76 CO 0.45 -0.80 1.70 0.44 0.00 0.00 0.00 174.94 176.73 2aff h ASP 77 N 8.79 0.97 -4.49 3.58 3.32 -1.94 -3.43 116.42 123.22 2aff h ASP 77 Ca -0.28 -0.23 -0.46 0.00 0.02 0.00 0.00 57.03 56.09 2aff h ASP 77 Cb 1.10 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 40.29 2aff h ASP 77 CO 0.98 0.94 -0.39 -0.62 -1.72 0.00 0.00 179.24 178.43 2aff n GLU 78 N -4.32 0.57 -1.75 3.56 1.02 -1.26 -4.98 120.64 113.48 2aff n GLU 78 Ca 0.04 -2.89 -0.40 0.00 -0.02 0.00 0.00 57.16 53.89 2aff n GLU 78 Cb 0.24 1.73 0.03 0.00 -0.02 0.00 0.00 31.44 33.42 2aff n GLU 78 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2aff n PRO 79 N -0.73 2.04 -3.93 3.49 -0.02 -1.26 -4.77 135.00 129.82 2aff n PRO 79 Ca -0.03 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.09 2aff n PRO 79 Cb 0.52 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 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 -1.22 0.08 -0.04 -1.45 0.11 -0.71 -4.99 120.40 112.18 2aff s VAL 80 Ca 0.64 -0.66 -0.30 0.00 -2.93 0.00 0.00 61.98 58.73 2aff s VAL 80 Cb -0.45 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2aff s VAL 80 CO 0.55 -0.36 1.00 -0.13 -3.33 0.00 0.00 175.10 172.83 2aff s ARG 81 N -1.10 4.50 0.16 1.54 0.52 -1.26 -0.70 118.95 122.60 2aff s ARG 81 Ca -0.12 1.43 -0.26 0.00 -0.52 0.00 0.00 55.73 56.25 2aff s ARG 81 Cb -0.07 -3.49 -0.08 0.00 0.52 0.00 0.00 34.95 31.83 2aff s ARG 81 CO -0.00 -0.17 0.81 -0.51 0.02 0.00 0.00 175.30 175.45 2aff s LEU 82 N 1.42 4.58 0.12 2.53 1.43 0.29 -4.94 118.68 124.12 2aff s LEU 82 Ca 0.51 1.68 0.06 0.00 -1.03 0.00 0.00 54.13 55.35 2aff s LEU 82 Cb -0.20 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2aff s LEU 82 CO 0.24 0.17 -0.15 -0.54 0.23 0.00 0.00 176.35 176.30 2aff s LYS 83 N -0.98 1.03 -0.09 1.70 1.02 -1.26 -4.40 119.74 116.75 2aff s LYS 83 Ca 0.37 -1.21 -0.34 0.00 0.02 0.00 0.00 55.97 54.82 2aff s LYS 83 Cb -0.23 -0.97 -0.11 0.00 -0.52 0.00 0.00 37.83 35.99 2aff s LYS 83 CO 0.27 0.20 1.91 1.58 -0.92 0.00 0.00 175.35 178.39 2aff n HIS 84 N 0.66 2.32 0.00 3.18 -0.00 -1.26 -0.87 115.22 119.24 2aff n HIS 84 Ca -0.16 -0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.52 2aff n HIS 84 Cb 0.56 -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 4.54 1.52 3.73 1.57 0.00 -0.66 -4.97 105.19 110.93 2aff n GLY 85 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2aff n GLY 85 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2aff s ASP 86 N -1.82 7.02 -0.15 1.61 1.47 -0.05 -4.81 116.67 119.94 2aff s ASP 86 Ca 0.00 2.23 -0.04 0.00 1.18 0.00 0.00 52.55 55.92 2aff s ASP 86 Cb 0.00 -2.60 -0.03 0.00 -0.34 0.00 0.00 42.92 39.95 2aff s ASP 86 CO 0.00 -0.45 -0.04 -0.69 0.68 0.00 0.00 175.17 174.66 2aff s VAL 87 N 0.36 3.87 -0.17 2.11 1.01 -1.26 -1.97 120.40 124.35 2aff s VAL 87 Ca 0.56 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 2aff s VAL 87 Cb -0.33 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 2aff s VAL 87 CO 0.34 0.50 0.21 -0.63 0.00 0.00 0.00 175.10 175.52 2aff s ILE 88 N 0.34 5.36 -0.12 2.22 1.01 -0.64 -0.99 121.20 128.39 2aff s ILE 88 Ca -0.04 0.36 0.03 0.00 0.00 0.00 0.00 60.65 61.00 2aff s ILE 88 Cb -0.14 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2aff s ILE 88 CO 0.03 0.44 -0.22 -0.89 0.00 0.00 0.00 174.94 174.30 2aff s THR 89 N 0.23 2.18 -0.09 2.92 2.01 0.55 -0.12 115.64 123.32 2aff s THR 89 Ca 0.13 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.19 2aff s THR 89 Cb -0.12 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 2aff s THR 89 CO 0.01 0.55 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.71 2aff s ILE 90 N 0.54 2.86 -0.57 1.82 1.01 1.11 -1.77 121.20 126.20 2aff s ILE 90 Ca -0.13 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.57 2aff s ILE 90 Cb -0.17 -2.15 -0.13 0.00 0.01 0.00 0.00 42.46 40.03 2aff s ILE 90 CO 0.04 0.56 1.57 -0.38 0.00 0.00 0.00 174.94 176.72 2aff n ILE 91 N 3.03 0.00 0.00 2.92 5.41 -1.26 0.37 119.36 129.83 2aff n ILE 91 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2aff n ILE 91 Cb 0.52 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 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 6.07 0.00 -4.10 4.38 8.00 -1.26 -4.99 116.55 124.65 2aff n ASP 92 Ca 0.38 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.68 2aff n ASP 92 Cb 0.02 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.33 0.98 0.02 -1.24 1.81 1.16 -4.53 118.95 116.82 2aff s ARG 93 Ca 0.00 -0.52 0.01 0.00 -1.72 0.00 0.00 55.73 53.49 2aff s ARG 93 Cb 0.00 -0.96 -0.02 0.00 -0.45 0.00 0.00 34.95 33.52 2aff s ARG 93 CO 0.00 0.26 -0.04 -1.12 -0.68 0.00 0.00 175.30 173.72 2aff s SER 94 N -0.51 0.36 -0.10 0.23 0.01 -1.26 0.36 113.70 112.78 2aff s SER 94 Ca 0.04 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.87 2aff s SER 94 Cb -0.06 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.26 2aff s SER 94 CO -0.00 -0.23 -0.13 -0.36 0.41 0.00 0.00 173.24 172.92 2aff s PHE 95 N -1.24 1.77 -0.02 2.43 0.40 0.82 -2.27 117.98 119.87 2aff s PHE 95 Ca -0.12 -0.81 -0.25 0.00 -0.60 0.00 0.00 56.93 55.14 2aff s PHE 95 Cb -0.09 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 2aff s PHE 95 CO -0.01 -0.44 0.79 0.50 0.70 0.00 0.00 175.22 176.76 2aff s ARG 96 N 1.05 4.48 -0.24 0.44 3.52 -0.68 -1.61 118.95 125.92 2aff s ARG 96 Ca -0.06 1.06 -0.16 0.00 -0.13 0.00 0.00 55.73 56.44 2aff s ARG 96 Cb -0.15 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 2aff s ARG 96 CO -0.02 0.09 0.40 -0.47 -0.81 0.00 0.00 175.30 174.50 2aff s TYR 97 N 0.63 3.30 -0.15 5.12 5.04 -0.83 -2.00 117.35 128.46 2aff s TYR 97 Ca 0.41 0.52 0.01 0.00 -2.44 0.00 0.00 57.07 55.57 2aff s TYR 97 Cb -0.19 -2.57 0.02 0.00 0.35 0.00 0.00 41.96 39.57 2aff s TYR 97 CO 0.22 -0.14 -0.15 -1.21 -1.34 0.00 0.00 175.55 172.92 2aff s GLU 98 N 1.79 2.36 -0.32 4.97 2.02 -0.94 -1.65 118.70 126.93 2aff s GLU 98 Ca 0.17 -0.59 -0.07 0.00 0.02 0.00 0.00 54.97 54.51 2aff s GLU 98 Cb -0.15 -2.13 0.02 0.00 0.10 0.00 0.00 34.13 31.97 2aff s GLU 98 CO 0.09 -0.21 0.10 1.21 0.02 0.00 0.00 175.26 176.47 2aff s ASN 99 N 1.40 5.24 0.00 -0.19 3.84 -1.26 -1.37 114.94 122.60 2aff s ASN 99 Ca 0.03 -0.90 0.14 0.00 0.21 0.00 0.00 52.86 52.34 2aff s ASN 99 Cb -0.13 -1.89 0.83 0.00 -0.55 0.00 0.00 41.25 39.52 2aff s ASN 99 CO -0.10 -0.26 1.26 -0.62 -2.79 0.00 0.00 177.10 174.59