#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 1.51 -3.21 3.45 -1.04 -1.26 -4.90 114.28 108.83 2aff n THR 4 Ca 0.00 -0.51 -0.39 0.00 -2.04 0.00 0.00 64.05 61.11 2aff n THR 4 Cb 0.00 -1.58 -0.06 0.00 -1.82 0.00 0.00 70.33 66.87 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2aff s ARG 5 N -2.52 4.24 0.02 -2.82 0.52 -1.26 -1.16 118.95 115.96 2aff s ARG 5 Ca -0.36 0.50 0.02 0.00 -0.52 0.00 0.00 55.73 55.38 2aff s ARG 5 Cb 0.11 -3.54 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 2aff s ARG 5 CO 0.57 -0.10 -0.08 1.03 0.02 0.00 0.00 175.30 176.74 2aff s ARG 6 N 1.47 0.57 -0.00 3.54 0.52 -0.80 -1.12 118.95 123.13 2aff s ARG 6 Ca 0.26 -0.46 0.06 0.00 -0.52 0.00 0.00 55.73 55.07 2aff s ARG 6 Cb -0.16 -0.49 -0.03 0.00 0.52 0.00 0.00 34.95 34.80 2aff s ARG 6 CO 0.10 0.12 -0.19 -0.51 0.02 0.00 0.00 175.30 174.84 2aff s LEU 7 N -0.73 2.48 -0.13 2.53 1.43 -0.75 -1.34 118.68 122.17 2aff s LEU 7 Ca -0.02 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2aff s LEU 7 Cb -0.06 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.69 2aff s LEU 7 CO 0.00 0.30 -0.18 -0.69 0.23 0.00 0.00 176.35 176.01 2aff s VAL 8 N -0.77 2.53 0.29 -1.59 1.01 -0.75 -0.26 120.40 120.86 2aff s VAL 8 Ca 0.12 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 2aff s VAL 8 Cb -0.10 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 2aff s VAL 8 CO 0.02 0.54 1.09 -0.89 0.00 0.00 0.00 175.10 175.85 2aff s THR 9 N 0.51 3.54 -0.11 3.92 2.01 -0.83 -1.79 115.64 122.90 2aff s THR 9 Ca -0.12 1.50 0.00 0.00 0.31 0.00 0.00 61.69 63.38 2aff s THR 9 Cb -0.16 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 2aff s THR 9 CO 0.05 0.32 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.56 2aff s ILE 10 N -1.23 3.33 0.36 1.82 1.01 -0.59 -2.29 121.20 123.62 2aff s ILE 10 Ca 0.46 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 2aff s ILE 10 Cb -0.30 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2aff s ILE 10 CO 0.39 0.55 0.62 -0.54 0.00 0.00 0.00 174.94 175.95 2aff s LYS 11 N -0.10 3.56 0.50 2.79 1.02 -0.00 -4.13 119.74 123.37 2aff s LYS 11 Ca -0.00 -0.06 0.17 0.00 0.02 0.00 0.00 55.97 56.09 2aff s LYS 11 Cb -0.13 -2.57 1.22 0.00 -0.52 0.00 0.00 37.83 35.82 2aff s LYS 11 CO 0.03 0.07 2.08 0.00 -0.92 0.00 0.00 175.35 176.61 2aff h ARG 12 N 0.94 0.12 0.00 1.68 3.08 -1.89 0.68 114.38 118.99 2aff h ARG 12 Ca -0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.20 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2aff h ARG 12 CO 0.63 0.08 0.00 -1.13 -1.07 0.00 0.00 179.97 178.48 2aff n SER 13 N -4.48 0.03 -0.16 7.04 3.41 -1.26 -4.88 113.62 113.32 2aff n SER 13 Ca 0.03 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 2aff n SER 13 Cb 0.25 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 1.22 1.05 3.30 5.00 0.00 0.24 -5.09 105.19 110.90 2aff n GLY 14 Ca 0.06 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.31 2.38 0.05 1.61 1.01 -1.24 -4.83 120.40 117.08 2aff s VAL 15 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 2aff s VAL 15 Cb 0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 2aff s VAL 15 CO 0.00 0.56 1.25 -0.62 0.00 0.00 0.00 175.10 176.29 2aff s ASP 16 N 0.07 7.01 0.00 3.32 -1.08 -1.26 -0.82 116.67 123.91 2aff s ASP 16 Ca -0.09 2.05 0.00 0.00 -0.52 0.00 0.00 52.55 53.98 2aff s ASP 16 Cb -0.15 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2aff s ASP 16 CO 0.06 -0.54 0.00 0.61 0.52 0.00 0.00 175.17 175.82 2aff n GLY 17 N 3.32 2.52 3.78 2.66 0.00 -0.97 -4.97 105.19 111.53 2aff n GLY 17 Ca 0.10 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 3.07 3.88 0.05 1.61 0.04 -1.26 -4.73 135.00 137.66 2aff s PRO 18 Ca 0.00 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.72 2aff s PRO 18 Cb 0.00 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 2aff s PRO 18 CO 0.00 -0.41 -0.01 -3.38 0.04 0.00 0.00 177.00 173.24 2aff s HIS 19 N -1.63 3.01 -0.35 0.56 -3.43 -1.26 -1.96 115.29 110.24 2aff s HIS 19 Ca 0.62 0.01 0.01 0.00 -0.80 0.00 0.00 55.06 54.90 2aff s HIS 19 Cb -0.25 -1.59 0.09 0.00 -1.43 0.00 0.00 32.58 29.39 2aff s HIS 19 CO 0.31 0.46 0.07 0.12 -2.00 0.00 0.00 174.74 173.70 2aff s PHE 20 N -1.19 3.57 0.14 0.38 5.36 0.64 -4.98 117.98 121.90 2aff s PHE 20 Ca 0.22 -2.55 -0.30 0.00 -0.96 0.00 0.00 56.93 53.34 2aff s PHE 20 Cb -0.12 -2.78 -0.07 0.00 -0.34 0.00 0.00 43.02 39.72 2aff s PHE 20 CO 0.14 -0.93 1.15 -1.25 -1.46 0.00 0.00 175.22 172.87 2aff s PRO 21 N 1.06 4.52 -1.38 10.12 0.04 -1.26 -1.81 135.00 146.29 2aff s PRO 21 Ca 0.05 1.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.78 2aff s PRO 21 Cb -0.20 -3.29 0.09 0.00 0.04 0.00 0.00 34.50 31.13 2aff s PRO 21 CO -0.05 -0.06 2.37 1.28 0.04 0.00 0.00 177.00 180.57 2aff n LEU 22 N 2.88 7.81 0.26 -3.56 4.77 -0.28 -4.54 117.00 124.34 2aff n LEU 22 Ca 0.05 -4.70 0.15 0.00 -0.03 0.00 0.00 56.01 51.48 2aff n LEU 22 Cb 0.46 -1.44 0.62 0.00 -2.33 0.00 0.00 43.42 40.73 2aff n LEU 22 CO 0.55 1.86 0.95 0.77 -1.33 0.00 0.00 177.39 180.18 2aff h SER 23 N 5.01 0.00 -3.45 -1.43 4.64 -1.92 -3.43 113.55 112.96 2aff h SER 23 Ca 0.66 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.44 2aff h SER 23 Cb 0.39 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 2aff h SER 23 CO 1.59 0.05 0.14 -0.76 -0.87 0.00 0.00 176.83 176.99 2aff s LEU 24 N -6.34 4.54 0.63 5.97 1.43 -1.26 -4.94 118.68 118.70 2aff s LEU 24 Ca 0.01 1.53 0.40 0.00 -1.03 0.00 0.00 54.13 55.04 2aff s LEU 24 Cb 0.09 -3.22 2.10 0.00 0.03 0.00 0.00 46.19 45.19 2aff s LEU 24 CO 0.57 0.16 2.27 0.28 0.23 0.00 0.00 176.35 179.86 2aff h SER 25 N 4.76 0.00 -3.75 2.29 0.02 -1.92 -3.42 113.55 111.53 2aff h SER 25 Ca -0.46 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.10 2aff h SER 25 Cb 1.21 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.44 2aff h SER 25 CO 0.67 0.01 -0.77 -0.89 -1.14 0.00 0.00 176.83 174.71 2aff s THR 26 N -4.10 0.58 -0.10 -2.27 2.01 -1.26 -1.17 115.64 109.33 2aff s THR 26 Ca -0.04 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.72 2aff s THR 26 Cb 0.12 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 72.12 2aff s THR 26 CO 0.46 0.20 -0.08 0.00 -0.69 0.00 0.00 174.62 174.51 2aff s LEU 28 N 1.43 2.04 -0.22 0.00 2.96 -1.26 -0.53 118.68 123.09 2aff s LEU 28 Ca -0.01 -0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 53.24 2aff s LEU 28 Cb -0.13 -1.37 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 2aff s LEU 28 CO -0.05 0.10 0.16 -0.36 -1.32 0.00 0.00 176.35 174.88 2aff s PHE 29 N 0.68 3.36 0.00 5.38 0.40 0.54 -0.44 117.98 127.90 2aff s PHE 29 Ca -0.11 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 2aff s PHE 29 Cb -0.16 -2.23 0.00 0.00 0.51 0.00 0.00 43.02 41.13 2aff s PHE 29 CO 0.02 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.51 2aff n GLY 30 N 3.95 1.23 0.00 4.36 0.00 -0.91 -2.72 105.19 111.09 2aff n GLY 30 Ca -0.15 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.40 2aff n GLY 30 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2aff n ARG 31 N 0.00 1.37 -1.08 1.61 1.85 -1.25 -2.24 116.66 116.92 2aff n ARG 31 Ca 0.00 -0.03 -0.31 0.00 -1.00 0.00 0.00 57.85 56.51 2aff n ARG 31 Cb 0.00 -1.03 0.13 0.00 -1.05 0.00 0.00 32.46 30.51 2aff n ARG 31 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2aff s GLY 32 N -2.31 1.66 0.16 2.89 0.00 -1.26 -4.89 107.32 103.56 2aff s GLY 32 Ca -0.01 0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.82 2aff s GLY 32 CO 0.20 0.65 1.62 1.19 0.00 0.00 0.00 173.10 176.76 2aff h ILE 33 N -1.49 1.26 -0.09 0.90 6.09 -1.96 -2.25 117.51 119.97 2aff h ILE 33 Ca -0.46 -1.07 0.03 0.00 -1.37 0.00 0.00 64.86 61.98 2aff h ILE 33 Cb 1.26 0.92 -0.00 0.00 0.47 0.00 0.00 36.82 39.46 2aff h ILE 33 CO 0.50 0.38 0.18 1.05 -3.07 0.00 0.00 178.15 177.19 2aff h GLU 34 N 0.79 0.00 -6.51 2.19 4.11 -1.98 -3.42 114.58 109.77 2aff h GLU 34 Ca 0.15 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.05 2aff h GLU 34 Cb 0.51 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.79 2aff h GLU 34 CO 0.02 0.00 1.01 0.00 0.07 0.00 0.00 179.01 180.11 2aff h ASP 36 N 8.03 0.00 -3.25 0.00 2.03 -1.00 -3.39 116.42 118.84 2aff h ASP 36 Ca -0.44 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.36 2aff h ASP 36 Cb 1.21 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 39.34 2aff h ASP 36 CO 0.93 0.09 -0.80 -0.63 -1.03 0.00 0.00 179.24 177.80 2aff s ILE 37 N -4.75 0.92 -0.13 4.15 1.01 -0.82 -4.96 121.20 116.63 2aff s ILE 37 Ca -0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 2aff s ILE 37 Cb 0.16 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2aff s ILE 37 CO 0.66 0.34 0.06 -0.13 0.00 0.00 0.00 174.94 175.87 2aff s ARG 38 N 1.51 3.48 -0.12 2.79 0.52 -1.26 -2.15 118.95 123.72 2aff s ARG 38 Ca 0.00 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 54.93 2aff s ARG 38 Cb -0.13 -3.06 -0.00 0.00 0.52 0.00 0.00 34.95 32.27 2aff s ARG 38 CO -0.05 0.56 -0.19 0.42 0.02 0.00 0.00 175.30 176.06 2aff s ILE 39 N -0.46 2.45 0.00 1.52 1.01 -0.95 -5.00 121.20 119.77 2aff s ILE 39 Ca 0.10 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2aff s ILE 39 Cb -0.12 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2aff s ILE 39 CO 0.02 0.54 0.65 0.00 0.00 0.00 0.00 174.94 176.15 2aff n GLN 40 N 3.61 0.53 -3.98 2.79 6.02 -1.26 -4.71 117.38 120.38 2aff n GLN 40 Ca -0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.45 2aff n GLN 40 Cb 0.53 -1.24 -0.13 0.00 1.02 0.00 0.00 30.24 30.42 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 3.06 0.00 1.08 1.43 -1.26 -4.97 118.68 118.01 2aff s LEU 41 Ca 0.00 -0.31 0.22 0.00 -1.03 0.00 0.00 54.13 53.01 2aff s LEU 41 Cb 0.00 -1.78 1.27 0.00 0.03 0.00 0.00 46.19 45.71 2aff s LEU 41 CO 0.00 0.01 1.70 -0.81 0.23 0.00 0.00 176.35 177.48 2aff n PRO 42 N 4.60 0.60 -0.25 1.29 -0.04 -1.26 -2.29 135.00 137.65 2aff n PRO 42 Ca -0.18 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2aff n PRO 42 Cb 0.51 -1.50 0.26 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 -1.07 0.65 -3.26 0.52 0.24 -1.26 -4.91 118.33 109.23 2aff n VAL 43 Ca 0.15 -0.80 -0.39 0.00 -2.04 0.00 0.00 64.34 61.26 2aff n VAL 43 Cb 0.10 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.20 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 -1.35 5.00 0.80 3.34 1.01 -0.97 -4.94 120.40 123.29 2aff s VAL 44 Ca 0.42 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.43 2aff s VAL 44 Cb 0.23 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.81 2aff s VAL 44 CO 0.32 0.40 1.11 -0.44 0.00 0.00 0.00 175.10 176.49 2aff s SER 45 N -0.02 4.09 0.25 3.32 0.01 -1.26 -4.70 113.70 115.39 2aff s SER 45 Ca 0.29 1.95 -0.05 0.00 1.31 0.00 0.00 55.95 59.45 2aff s SER 45 Cb -0.17 -2.54 0.28 0.00 0.21 0.00 0.00 66.02 63.80 2aff s SER 45 CO 0.15 -2.31 1.87 0.11 0.41 0.00 0.00 173.24 173.46 2aff h LYS 46 N -1.25 1.15 0.00 12.44 1.57 -1.95 -3.17 116.57 125.36 2aff h LYS 46 Ca -0.44 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 2aff h LYS 46 Cb 1.24 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2aff h LYS 46 CO 0.49 0.86 -1.25 1.04 -0.57 0.00 0.00 179.45 180.02 2aff n GLN 47 N -4.33 0.95 0.00 3.15 1.13 -1.26 -4.05 117.38 112.97 2aff n GLN 47 Ca 0.08 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2aff n GLN 47 Cb 0.11 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.29 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 -1.71 0.00 -4.57 1.08 -0.00 -1.20 -3.95 115.22 104.86 2aff n HIS 48 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.48 2aff n HIS 48 Cb 0.22 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.05 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 0.26 2.17 -0.10 0.00 2.20 -0.71 -0.34 119.74 123.22 2aff s LYS 50 Ca -0.06 -0.56 0.01 0.00 -0.36 0.00 0.00 55.97 55.00 2aff s LYS 50 Cb -0.11 -1.76 -0.02 0.00 -1.51 0.00 0.00 37.83 34.43 2aff s LYS 50 CO 0.02 0.03 -0.14 0.42 -0.36 0.00 0.00 175.35 175.32 2aff s ILE 51 N 0.70 2.98 -0.10 5.43 1.01 0.31 -0.15 121.20 131.38 2aff s ILE 51 Ca -0.13 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 51 Cb -0.16 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 2aff s ILE 51 CO 0.03 0.55 -0.12 -1.61 0.00 0.00 0.00 174.94 173.79 2aff s GLU 52 N -0.01 3.11 -0.33 2.79 2.02 -0.79 -2.02 118.70 123.47 2aff s GLU 52 Ca -0.04 -0.66 -0.11 0.00 0.02 0.00 0.00 54.97 54.18 2aff s GLU 52 Cb -0.14 -2.58 -0.00 0.00 0.10 0.00 0.00 34.13 31.50 2aff s GLU 52 CO 0.04 0.37 0.19 0.42 0.02 0.00 0.00 175.26 176.30 2aff s ILE 53 N -0.06 4.79 -0.10 -1.63 -1.09 -0.32 -2.03 121.20 120.76 2aff s ILE 53 Ca -0.02 -0.45 0.02 0.00 -2.23 0.00 0.00 60.65 57.97 2aff s ILE 53 Cb -0.14 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 2aff s ILE 53 CO 0.04 -0.01 -0.16 -1.00 -1.23 0.00 0.00 174.94 172.57 2aff s HIS 54 N 1.63 2.71 0.48 3.97 3.76 0.28 -4.94 115.29 123.19 2aff s HIS 54 Ca 0.05 -0.59 0.38 0.00 -0.15 0.00 0.00 55.06 54.74 2aff s HIS 54 Cb -0.18 -1.75 1.57 0.00 1.11 0.00 0.00 32.58 33.33 2aff s HIS 54 CO 0.07 -0.15 1.59 0.93 -0.85 0.00 0.00 174.74 176.33 2aff h GLU 55 N 6.33 0.01 0.24 1.40 5.08 -2.02 0.28 114.58 125.90 2aff h GLU 55 Ca -0.30 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2aff h GLU 55 Cb 1.20 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2aff h GLU 55 CO 0.52 0.01 -0.11 1.96 -1.00 0.00 0.00 179.01 180.39 2aff h GLN 56 N 0.01 -0.31 0.00 2.33 4.20 -2.02 -3.49 115.11 115.85 2aff h GLN 56 Ca 0.89 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.62 2aff h GLN 56 Cb 3.10 0.07 0.00 0.00 0.30 0.00 0.00 27.48 30.94 2aff h GLN 56 CO -0.32 -0.20 0.00 -1.91 -0.67 0.00 0.00 178.83 175.73 2aff n GLU 57 N -2.95 0.00 -4.70 1.46 4.07 0.99 -5.17 120.64 114.33 2aff n GLU 57 Ca -0.04 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.80 2aff n GLU 57 Cb 0.12 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.34 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 -1.38 1.40 -0.14 4.31 0.00 -1.26 -0.55 121.76 124.14 2aff s ALA 58 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 2aff s ALA 58 Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2aff s ALA 58 CO 0.00 0.17 -0.10 0.42 0.00 0.00 0.00 175.76 176.25 2aff s ILE 59 N 0.49 3.35 -0.26 0.00 1.01 -0.86 0.78 121.20 125.70 2aff s ILE 59 Ca -0.13 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 2aff s ILE 59 Cb -0.15 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 2aff s ILE 59 CO 0.04 0.51 0.42 -0.22 0.00 0.00 0.00 174.94 175.70 2aff s LEU 60 N 0.36 4.05 -0.12 2.97 2.96 0.37 -1.89 118.68 127.37 2aff s LEU 60 Ca -0.08 0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 54.18 2aff s LEU 60 Cb -0.15 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 2aff s LEU 60 CO 0.05 -0.22 -0.02 -1.00 -1.32 0.00 0.00 176.35 173.85 2aff s HIS 61 N 2.12 3.09 -0.50 5.38 3.76 0.79 -1.90 115.29 128.03 2aff s HIS 61 Ca 0.17 -0.03 -0.18 0.00 -0.15 0.00 0.00 55.06 54.87 2aff s HIS 61 Cb -0.16 -1.87 0.07 0.00 1.11 0.00 0.00 32.58 31.73 2aff s HIS 61 CO 0.10 0.22 0.56 1.21 -0.85 0.00 0.00 174.74 175.98 2aff s ASN 62 N -0.26 6.20 -0.00 1.40 2.47 -1.26 -1.74 114.94 121.74 2aff s ASN 62 Ca 0.05 -1.09 0.21 0.00 0.42 0.00 0.00 52.86 52.45 2aff s ASN 62 Cb -0.12 -2.26 -0.19 0.00 -1.45 0.00 0.00 41.25 37.23 2aff s ASN 62 CO 0.02 -0.83 0.90 0.49 -3.72 0.00 0.00 177.10 173.96 2aff n PHE 63 N 5.87 0.01 -2.03 0.43 3.01 -0.27 -4.85 117.46 119.62 2aff n PHE 63 Ca -0.09 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.99 2aff n PHE 63 Cb 0.45 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 2aff n PHE 63 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -3.13 5.32 0.19 4.37 0.15 -0.42 -4.65 113.70 115.53 2aff s SER 64 Ca 0.07 0.42 0.24 0.00 0.70 0.00 0.00 55.95 57.39 2aff s SER 64 Cb 0.16 -2.53 0.45 0.00 -1.71 0.00 0.00 66.02 62.39 2aff s SER 64 CO 0.86 -2.33 1.47 0.77 1.20 0.00 0.00 173.24 175.21 2aff h SER 65 N 14.82 0.00 0.05 5.45 4.64 -1.91 -3.24 113.55 133.36 2aff h SER 65 Ca -0.26 -0.10 -0.29 0.00 -0.47 0.00 0.00 61.79 60.67 2aff h SER 65 Cb 1.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 2aff h SER 65 CO 1.20 0.05 -1.58 0.41 -0.87 0.00 0.00 176.83 176.05 2aff n THR 66 N -2.33 1.63 -3.64 2.95 -1.04 -1.26 -4.81 114.28 105.78 2aff n THR 66 Ca 0.04 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.05 61.47 2aff n THR 66 Cb 0.46 -1.92 -0.14 0.00 -1.82 0.00 0.00 70.33 66.90 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2aff s ASN 67 N -6.94 3.72 0.48 8.00 0.01 -1.25 -5.13 114.94 113.81 2aff s ASN 67 Ca -0.27 -1.71 -0.23 0.00 -0.71 0.00 0.00 52.86 49.94 2aff s ASN 67 Cb 0.06 -0.67 -0.08 0.00 0.41 0.00 0.00 41.25 40.97 2aff s ASN 67 CO 0.66 -0.39 1.21 -2.65 -1.51 0.00 0.00 177.10 174.42 2aff n PRO 68 N 4.73 1.65 -2.53 -0.60 -0.02 -1.22 -4.65 135.00 132.37 2aff n PRO 68 Ca -0.00 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.67 2aff n PRO 68 Cb 0.41 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.28 3.60 -0.07 3.45 2.01 -1.26 -4.88 115.64 117.21 2aff s THR 69 Ca 0.66 1.59 -0.03 0.00 0.31 0.00 0.00 61.69 64.22 2aff s THR 69 Cb -0.48 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 2aff s THR 69 CO 0.54 0.36 0.06 -1.10 -0.69 0.00 0.00 174.62 173.79 2aff s GLN 70 N -1.47 3.13 -0.03 4.92 -0.21 -1.00 -1.43 119.66 123.58 2aff s GLN 70 Ca 0.45 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.50 2aff s GLN 70 Cb -0.30 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 30.79 2aff s GLN 70 CO 0.39 0.71 -0.09 0.08 -2.12 0.00 0.00 175.29 174.25 2aff s VAL 71 N -1.01 0.81 -1.17 1.09 1.01 0.49 0.11 120.40 121.73 2aff s VAL 71 Ca 0.16 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 2aff s VAL 71 Cb -0.12 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2aff s VAL 71 CO 0.06 0.26 0.19 0.59 0.00 0.00 0.00 175.10 176.19 2aff n ASN 72 N 3.34 -4.08 -0.85 3.32 3.02 0.29 0.91 115.26 121.21 2aff n ASN 72 Ca -0.19 -0.01 -0.08 0.00 -0.03 0.00 0.00 54.58 54.27 2aff n ASN 72 Cb 0.54 -3.42 -0.01 0.00 -0.61 0.00 0.00 39.78 36.28 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 -0.97 0.28 2.89 7.41 0.00 -1.26 -5.03 105.19 108.51 2aff n GLY 73 Ca -0.11 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 2aff n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aff s SER 74 N -2.71 0.00 0.23 1.61 1.04 0.26 -5.09 113.70 109.06 2aff s SER 74 Ca 0.00 -0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.12 2aff s SER 74 Cb 0.00 0.04 -0.09 0.00 0.10 0.00 0.00 66.02 66.06 2aff s SER 74 CO 0.00 -0.03 1.31 -0.69 0.98 0.00 0.00 173.24 174.81 2aff s VAL 75 N -0.11 3.07 -0.80 5.02 1.01 -1.26 0.18 120.40 127.51 2aff s VAL 75 Ca -0.01 0.92 -0.00 0.00 0.00 0.00 0.00 61.98 62.89 2aff s VAL 75 Cb -0.01 -3.59 0.20 0.00 0.00 0.00 0.00 36.38 32.98 2aff s VAL 75 CO -0.00 0.16 0.65 0.27 0.00 0.00 0.00 175.10 176.17 2aff s ILE 76 N -0.21 3.87 0.54 2.22 -4.36 -0.51 -4.88 121.20 117.87 2aff s ILE 76 Ca 0.55 -3.81 0.30 0.00 -0.26 0.00 0.00 60.65 57.43 2aff s ILE 76 Cb -0.37 -3.45 0.34 0.00 1.25 0.00 0.00 42.46 40.23 2aff s ILE 76 CO 0.42 -1.03 2.21 -0.78 0.24 0.00 0.00 174.94 176.00 2aff h ASP 77 N 6.04 0.00 -1.80 4.36 3.58 -1.94 -3.42 116.42 123.25 2aff h ASP 77 Ca 0.12 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.96 2aff h ASP 77 Cb 0.82 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.75 2aff h ASP 77 CO 0.80 0.04 -0.62 -1.61 -2.88 0.00 0.00 179.24 174.96 2aff s GLU 78 N -4.45 1.95 0.51 0.28 2.02 -1.26 -4.87 118.70 112.88 2aff s GLU 78 Ca -0.04 -1.97 -0.23 0.00 0.02 0.00 0.00 54.97 52.75 2aff s GLU 78 Cb 0.14 -1.74 -0.06 0.00 0.10 0.00 0.00 34.13 32.57 2aff s GLU 78 CO 0.55 0.04 1.33 -2.14 0.02 0.00 0.00 175.26 175.07 2aff s PRO 79 N -3.69 3.38 -0.00 0.39 0.02 -1.26 -4.70 135.00 129.14 2aff s PRO 79 Ca 0.35 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.55 2aff s PRO 79 Cb 0.05 -2.38 -0.00 0.00 0.02 0.00 0.00 34.50 32.19 2aff s PRO 79 CO 0.18 -0.98 -0.01 0.14 -0.33 0.00 0.00 177.00 176.00 2aff s VAL 80 N -1.32 0.07 0.13 3.83 -7.23 -0.80 -4.99 120.40 110.08 2aff s VAL 80 Ca 0.68 -0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 60.51 2aff s VAL 80 Cb -0.39 -0.07 -0.07 0.00 0.56 0.00 0.00 36.38 36.42 2aff s VAL 80 CO 0.47 0.02 1.15 -0.13 -0.31 0.00 0.00 175.10 176.30 2aff s ARG 81 N -0.02 4.51 0.12 4.82 0.52 -1.26 -0.48 118.95 127.16 2aff s ARG 81 Ca 0.00 1.75 -0.30 0.00 -0.52 0.00 0.00 55.73 56.66 2aff s ARG 81 Cb -0.00 -3.31 -0.06 0.00 0.52 0.00 0.00 34.95 32.10 2aff s ARG 81 CO -0.00 -0.09 0.99 -0.51 0.02 0.00 0.00 175.30 175.71 2aff s LEU 82 N 0.27 4.50 0.08 2.53 1.43 0.23 -4.89 118.68 122.83 2aff s LEU 82 Ca 0.54 1.85 0.06 0.00 -1.03 0.00 0.00 54.13 55.54 2aff s LEU 82 Cb -0.30 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 2aff s LEU 82 CO 0.33 -0.09 -0.16 -0.54 0.23 0.00 0.00 176.35 176.12 2aff s LYS 83 N -0.08 0.89 -0.27 1.70 1.02 -1.26 -4.51 119.74 117.23 2aff s LYS 83 Ca 0.47 -1.01 -0.35 0.00 0.02 0.00 0.00 55.97 55.11 2aff s LYS 83 Cb -0.24 -0.94 -0.11 0.00 -0.52 0.00 0.00 37.83 36.01 2aff s LYS 83 CO 0.31 0.21 2.06 1.58 -0.92 0.00 0.00 175.35 178.59 2aff n HIS 84 N 1.21 1.86 0.00 3.18 -0.00 -1.26 -0.27 115.22 119.94 2aff n HIS 84 Ca -0.21 0.21 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2aff n HIS 84 Cb 0.54 -2.57 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 2aff n HIS 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2aff n GLY 85 N 5.68 1.31 3.68 1.57 0.00 -0.70 -4.98 105.19 111.75 2aff n GLY 85 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 6.77 -0.15 1.61 -1.08 0.62 -4.78 116.67 117.69 2aff s ASP 86 Ca 0.00 2.19 -0.03 0.00 -0.52 0.00 0.00 52.55 54.18 2aff s ASP 86 Cb 0.00 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.88 2aff s ASP 86 CO 0.00 -0.80 -0.04 -0.69 0.52 0.00 0.00 175.17 174.16 2aff s VAL 87 N 2.90 3.92 -0.15 1.11 1.01 -1.26 -0.85 120.40 127.07 2aff s VAL 87 Ca 0.67 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 2aff s VAL 87 Cb -0.33 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2aff s VAL 87 CO 0.27 0.50 0.05 -0.63 0.00 0.00 0.00 175.10 175.30 2aff s ILE 88 N 0.25 4.69 -0.10 2.22 1.01 -0.34 -0.55 121.20 128.37 2aff s ILE 88 Ca -0.03 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.58 2aff s ILE 88 Cb -0.14 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.26 2aff s ILE 88 CO 0.03 0.51 -0.23 -0.89 0.00 0.00 0.00 174.94 174.36 2aff s THR 89 N -0.06 2.00 -0.15 2.92 2.01 0.29 0.23 115.64 122.88 2aff s THR 89 Ca 0.06 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.10 2aff s THR 89 Cb -0.12 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.67 2aff s THR 89 CO 0.01 0.54 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.66 2aff s ILE 90 N 0.42 1.94 0.00 1.82 1.01 0.89 -2.38 121.20 124.90 2aff s ILE 90 Ca -0.17 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.59 2aff s ILE 90 Cb -0.18 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.55 2aff s ILE 90 CO 0.07 0.52 0.00 -0.38 0.00 0.00 0.00 174.94 175.16 2aff n ILE 91 N 4.37 0.00 -0.37 2.92 2.08 -1.26 0.28 119.36 127.38 2aff n ILE 91 Ca -0.20 0.00 0.10 0.00 0.56 0.00 0.00 62.75 63.21 2aff n ILE 91 Cb 0.51 0.00 0.29 0.00 -0.75 0.00 0.00 39.64 39.68 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 3.79 3.82 -4.33 4.38 8.00 -1.26 -4.95 116.55 126.01 2aff n ASP 92 Ca 0.00 -2.08 -0.29 0.00 0.71 0.00 0.00 54.79 53.12 2aff n ASP 92 Cb 0.00 -0.44 -0.15 0.00 -0.02 0.00 0.00 41.12 40.51 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 -1.16 1.76 0.04 -1.24 1.81 0.81 -4.33 118.95 116.65 2aff s ARG 93 Ca 0.43 -1.06 -0.03 0.00 -1.72 0.00 0.00 55.73 53.34 2aff s ARG 93 Cb 0.23 -1.91 -0.02 0.00 -0.45 0.00 0.00 34.95 32.81 2aff s ARG 93 CO 0.27 0.50 0.04 -1.54 -0.68 0.00 0.00 175.30 173.89 2aff s SER 94 N -1.16 0.27 -0.10 0.23 1.04 -1.26 0.30 113.70 113.03 2aff s SER 94 Ca 0.11 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.89 2aff s SER 94 Cb -0.10 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.24 2aff s SER 94 CO 0.02 -0.51 -0.11 -0.36 0.98 0.00 0.00 173.24 173.25 2aff s PHE 95 N -2.85 1.62 -0.00 5.02 0.08 0.14 -1.54 117.98 120.44 2aff s PHE 95 Ca -0.03 -0.73 -0.23 0.00 0.12 0.00 0.00 56.93 56.06 2aff s PHE 95 Cb 0.00 -1.23 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 2aff s PHE 95 CO -0.06 -0.43 0.68 0.50 -0.10 0.00 0.00 175.22 175.81 2aff s ARG 96 N 1.14 4.41 -0.22 0.44 3.52 -0.74 -1.20 118.95 126.30 2aff s ARG 96 Ca -0.05 0.88 -0.16 0.00 -0.13 0.00 0.00 55.73 56.27 2aff s ARG 96 Cb -0.14 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 2aff s ARG 96 CO -0.02 0.27 0.42 -0.47 -0.81 0.00 0.00 175.30 174.69 2aff s TYR 97 N 0.08 3.34 -0.09 5.12 5.04 -0.03 -1.80 117.35 129.01 2aff s TYR 97 Ca 0.35 0.61 0.03 0.00 -2.44 0.00 0.00 57.07 55.62 2aff s TYR 97 Cb -0.19 -2.57 0.01 0.00 0.35 0.00 0.00 41.96 39.56 2aff s TYR 97 CO 0.19 -0.08 -0.18 -1.21 -1.34 0.00 0.00 175.55 172.93 2aff s GLU 98 N 1.57 2.45 -0.42 4.97 2.02 -0.45 -1.72 118.70 127.12 2aff s GLU 98 Ca 0.19 -0.66 -0.12 0.00 0.02 0.00 0.00 54.97 54.40 2aff s GLU 98 Cb -0.15 -1.94 0.06 0.00 0.10 0.00 0.00 34.13 32.20 2aff s GLU 98 CO 0.09 0.07 0.29 1.21 0.02 0.00 0.00 175.26 176.94 2aff s ASN 99 N 0.60 5.86 0.00 -0.19 3.84 -1.26 -1.90 114.94 121.88 2aff s ASN 99 Ca -0.14 -1.28 0.25 0.00 0.21 0.00 0.00 52.86 51.90 2aff s ASN 99 Cb -0.17 -2.07 1.50 0.00 -0.55 0.00 0.00 41.25 39.96 2aff s ASN 99 CO 0.05 -0.53 1.86 1.21 -2.79 0.00 0.00 177.10 176.90