#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 0.00 -3.02 0.52 -2.24 -1.26 -4.93 114.28 103.35 2aff n THR 4 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2aff n THR 4 Cb 0.00 -0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 67.19 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 -1.92 4.15 -0.04 -0.78 0.52 -1.26 -1.04 118.95 118.57 2aff s ARG 5 Ca 0.00 0.71 0.05 0.00 -0.52 0.00 0.00 55.73 55.97 2aff s ARG 5 Cb 0.00 -3.64 -0.01 0.00 0.52 0.00 0.00 34.95 31.82 2aff s ARG 5 CO 0.00 -0.44 -0.20 1.03 0.02 0.00 0.00 175.30 175.71 2aff s ARG 6 N 2.60 1.97 -0.10 3.54 0.52 0.03 -1.87 118.95 125.63 2aff s ARG 6 Ca 0.30 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.83 2aff s ARG 6 Cb -0.15 -1.72 -0.01 0.00 0.52 0.00 0.00 34.95 33.59 2aff s ARG 6 CO 0.08 0.30 -0.17 -1.17 0.02 0.00 0.00 175.30 174.36 2aff s LEU 7 N -0.08 2.51 -0.13 2.53 2.96 -0.83 -1.59 118.68 124.05 2aff s LEU 7 Ca -0.02 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.48 2aff s LEU 7 Cb -0.12 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2aff s LEU 7 CO 0.02 0.20 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.52 2aff s VAL 8 N 0.15 3.91 -0.40 1.68 1.01 -0.83 0.13 120.40 126.04 2aff s VAL 8 Ca -0.09 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 2aff s VAL 8 Cb -0.15 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.55 2aff s VAL 8 CO 0.06 0.52 0.75 -0.89 0.00 0.00 0.00 175.10 175.54 2aff s THR 9 N 0.05 4.74 0.26 3.92 2.01 -0.73 -1.95 115.64 123.93 2aff s THR 9 Ca 0.00 0.61 -0.27 0.00 0.31 0.00 0.00 61.69 62.34 2aff s THR 9 Cb -0.13 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.06 2aff s THR 9 CO 0.03 -0.53 0.91 -0.63 -0.69 0.00 0.00 174.62 173.71 2aff s ILE 10 N 3.08 4.18 0.30 1.82 1.01 -0.50 -2.02 121.20 129.08 2aff s ILE 10 Ca 0.29 1.91 0.03 0.00 0.00 0.00 0.00 60.65 62.88 2aff s ILE 10 Cb -0.13 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 2aff s ILE 10 CO 0.19 0.36 0.46 -0.54 0.00 0.00 0.00 174.94 175.41 2aff s LYS 11 N -1.54 3.40 0.66 2.79 1.02 -0.79 -4.32 119.74 120.96 2aff s LYS 11 Ca 0.44 -0.61 0.44 0.00 0.02 0.00 0.00 55.97 56.26 2aff s LYS 11 Cb -0.22 -2.77 2.38 0.00 -0.52 0.00 0.00 37.83 36.69 2aff s LYS 11 CO 0.28 0.24 2.34 0.00 -0.92 0.00 0.00 175.35 177.28 2aff h ARG 12 N 0.93 0.00 0.00 1.68 3.08 -1.89 0.32 114.38 118.50 2aff h ARG 12 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2aff h ARG 12 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2aff h ARG 12 CO 0.60 0.00 0.00 1.03 -1.07 0.00 0.00 179.97 180.53 2aff h SER 13 N 0.00 0.00 0.00 7.04 0.87 -1.93 -3.47 113.55 116.06 2aff h SER 13 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2aff h SER 13 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2aff h SER 13 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 2aff n GLY 14 N 1.08 1.07 3.28 5.77 0.00 0.11 -5.08 105.19 111.41 2aff n GLY 14 Ca 0.05 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 2.09 0.29 1.61 -7.23 -1.25 -4.89 120.40 109.03 2aff s VAL 15 Ca 0.00 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 2aff s VAL 15 Cb 0.00 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 35.09 2aff s VAL 15 CO 0.00 0.57 1.20 -1.81 -0.31 0.00 0.00 175.10 174.75 2aff s ASP 16 N -0.22 7.03 0.00 4.85 1.01 -1.26 -1.89 116.67 126.19 2aff s ASP 16 Ca -0.02 2.45 0.00 0.00 0.71 0.00 0.00 52.55 55.69 2aff s ASP 16 Cb -0.13 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.16 2aff s ASP 16 CO 0.03 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.68 2aff n GLY 17 N 1.14 2.52 3.78 0.21 0.00 -0.86 -4.95 105.19 107.03 2aff n GLY 17 Ca -0.00 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 3.20 3.69 -0.01 1.61 0.04 -1.26 -4.74 135.00 137.53 2aff s PRO 18 Ca 0.00 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.67 2aff s PRO 18 Cb 0.00 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2aff s PRO 18 CO 0.00 -0.57 -0.01 -3.38 0.04 0.00 0.00 177.00 173.08 2aff s HIS 19 N -1.71 3.05 -0.42 0.56 -3.43 -1.26 -1.77 115.29 110.31 2aff s HIS 19 Ca 0.66 0.07 -0.01 0.00 -0.80 0.00 0.00 55.06 54.98 2aff s HIS 19 Cb -0.24 -1.68 0.11 0.00 -1.43 0.00 0.00 32.58 29.35 2aff s HIS 19 CO 0.29 0.44 0.20 0.12 -2.00 0.00 0.00 174.74 173.78 2aff s PHE 20 N -1.03 3.60 0.12 0.38 5.36 0.34 -4.95 117.98 121.79 2aff s PHE 20 Ca 0.18 -2.59 -0.30 0.00 -0.96 0.00 0.00 56.93 53.26 2aff s PHE 20 Cb -0.11 -3.15 -0.07 0.00 -0.34 0.00 0.00 43.02 39.34 2aff s PHE 20 CO 0.08 -0.95 1.24 -1.25 -1.46 0.00 0.00 175.22 172.88 2aff s PRO 21 N 0.94 4.43 -0.99 10.12 0.04 -1.26 -1.96 135.00 146.32 2aff s PRO 21 Ca 0.10 1.87 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 2aff s PRO 21 Cb -0.22 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 2aff s PRO 21 CO -0.05 -0.23 2.93 1.28 0.04 0.00 0.00 177.00 180.97 2aff n LEU 22 N 3.36 7.42 0.29 -3.56 4.77 -0.78 -4.53 117.00 123.96 2aff n LEU 22 Ca 0.08 -4.19 0.17 0.00 -0.03 0.00 0.00 56.01 52.03 2aff n LEU 22 Cb 0.45 -1.42 0.87 0.00 -2.33 0.00 0.00 43.42 40.98 2aff n LEU 22 CO 0.56 1.93 1.05 0.77 -1.33 0.00 0.00 177.39 180.37 2aff h SER 23 N 4.12 0.00 -3.53 -1.43 4.64 -1.91 -3.42 113.55 112.01 2aff h SER 23 Ca 0.60 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.39 2aff h SER 23 Cb 0.64 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 2aff h SER 23 CO 1.21 0.05 0.14 -0.76 -0.87 0.00 0.00 176.83 176.60 2aff s LEU 24 N -6.73 4.48 0.53 5.97 1.43 -1.26 -4.95 118.68 118.14 2aff s LEU 24 Ca -0.03 1.54 0.35 0.00 -1.03 0.00 0.00 54.13 54.96 2aff s LEU 24 Cb 0.12 -3.40 1.85 0.00 0.03 0.00 0.00 46.19 44.79 2aff s LEU 24 CO 0.52 0.14 2.08 -1.28 0.23 0.00 0.00 176.35 178.04 2aff h SER 25 N 3.94 0.00 -3.62 2.29 0.87 -1.94 -3.42 113.55 111.68 2aff h SER 25 Ca -0.48 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 59.68 2aff h SER 25 Cb 1.20 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.84 2aff h SER 25 CO 0.65 0.00 -0.77 -0.89 -0.53 0.00 0.00 176.83 175.29 2aff s THR 26 N -3.86 0.59 -0.21 2.23 2.01 -1.26 -1.38 115.64 113.76 2aff s THR 26 Ca -0.03 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2aff s THR 26 Cb 0.10 -0.57 0.04 0.00 0.01 0.00 0.00 72.50 72.08 2aff s THR 26 CO 0.36 0.22 -0.13 0.00 -0.69 0.00 0.00 174.62 174.38 2aff s LEU 28 N 1.29 2.74 -0.17 0.00 2.96 -1.26 -0.74 118.68 123.49 2aff s LEU 28 Ca -0.02 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2aff s LEU 28 Cb -0.17 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 2aff s LEU 28 CO -0.08 0.19 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.74 2aff s PHE 29 N 0.20 3.00 -1.59 5.38 0.40 0.14 -0.30 117.98 125.20 2aff s PHE 29 Ca -0.08 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 2aff s PHE 29 Cb -0.15 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.38 2aff s PHE 29 CO 0.05 -0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.20 2aff n GLY 30 N 3.89 -1.43 0.10 4.36 0.00 -0.84 -2.38 105.19 108.89 2aff n GLY 30 Ca -0.17 -1.00 -0.02 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 -7.08 1.61 3.08 -1.52 -2.95 114.38 107.52 2aff h ARG 31 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2aff h ARG 31 Cb 0.00 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.23 2aff h ARG 31 CO 0.00 0.46 0.23 0.41 -1.07 0.00 0.00 179.97 180.00 2aff n GLY 32 N 1.37 -0.20 0.26 0.04 0.00 -1.25 -4.86 105.19 100.55 2aff n GLY 32 Ca -0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.56 1.27 -0.01 -0.61 6.09 -1.94 -2.51 117.51 119.23 2aff h ILE 33 Ca -0.47 -1.12 0.00 0.00 -1.37 0.00 0.00 64.86 61.90 2aff h ILE 33 Cb 1.31 1.02 -0.00 0.00 0.47 0.00 0.00 36.82 39.62 2aff h ILE 33 CO 0.46 0.39 0.12 -0.08 -3.07 0.00 0.00 178.15 175.98 2aff h GLU 34 N 0.73 0.00 -6.63 2.19 4.81 -1.96 -3.42 114.58 110.29 2aff h GLU 34 Ca 0.13 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.84 2aff h GLU 34 Cb 0.56 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.99 2aff h GLU 34 CO 0.03 0.00 1.01 0.00 -0.73 0.00 0.00 179.01 179.32 2aff h ASP 36 N 7.02 0.49 -3.17 0.00 3.32 -0.92 -3.39 116.42 119.77 2aff h ASP 36 Ca -0.43 -0.05 -0.57 0.00 0.02 0.00 0.00 57.03 55.99 2aff h ASP 36 Cb 1.20 -0.13 -0.36 0.00 0.22 0.00 0.00 39.33 40.27 2aff h ASP 36 CO 0.95 0.46 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.48 2aff s ILE 37 N -5.25 1.38 -0.15 0.35 1.01 -0.12 -4.95 121.20 113.47 2aff s ILE 37 Ca -0.08 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 2aff s ILE 37 Cb 0.16 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 2aff s ILE 37 CO 0.75 0.42 0.07 -0.13 0.00 0.00 0.00 174.94 176.05 2aff s ARG 38 N 1.43 3.65 -0.12 2.79 0.52 -1.26 -1.98 118.95 123.99 2aff s ARG 38 Ca 0.02 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 54.94 2aff s ARG 38 Cb -0.13 -3.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.21 2aff s ARG 38 CO -0.08 0.48 -0.19 0.42 0.02 0.00 0.00 175.30 175.95 2aff s ILE 39 N -0.21 2.50 0.00 1.52 1.01 -1.11 -4.98 121.20 119.93 2aff s ILE 39 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2aff s ILE 39 Cb -0.12 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2aff s ILE 39 CO 0.01 0.54 1.79 0.00 0.00 0.00 0.00 174.94 177.28 2aff n GLN 40 N 3.55 0.92 -5.29 2.79 6.02 -1.26 -4.60 117.38 119.52 2aff n GLN 40 Ca -0.19 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.49 2aff n GLN 40 Cb 0.53 -1.04 -0.16 0.00 1.02 0.00 0.00 30.24 30.59 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 2.07 0.10 1.08 1.43 -1.26 -5.01 118.68 117.08 2aff s LEU 41 Ca 0.00 -0.49 0.21 0.00 -1.03 0.00 0.00 54.13 52.82 2aff s LEU 41 Cb 0.00 -1.36 0.85 0.00 0.03 0.00 0.00 46.19 45.71 2aff s LEU 41 CO 0.00 0.28 1.65 -0.81 0.23 0.00 0.00 176.35 177.70 2aff n PRO 42 N 2.68 0.09 -0.09 1.29 -0.04 -1.26 -2.38 135.00 135.29 2aff n PRO 42 Ca -0.17 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2aff n PRO 42 Cb 0.51 -1.65 0.34 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.81 0.25 -3.67 0.52 0.24 -1.26 -4.84 118.33 107.76 2aff n VAL 43 Ca 0.04 -0.43 -0.36 0.00 -2.04 0.00 0.00 64.34 61.56 2aff n VAL 43 Cb 0.25 0.54 -0.08 0.00 -1.47 0.00 0.00 33.84 33.08 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 -1.75 5.38 1.00 3.34 1.01 -1.00 -4.88 120.40 123.50 2aff s VAL 44 Ca 0.34 0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.49 2aff s VAL 44 Cb 0.19 -3.52 0.19 0.00 0.00 0.00 0.00 36.38 33.23 2aff s VAL 44 CO 0.28 0.43 1.14 -0.44 0.00 0.00 0.00 175.10 176.50 2aff s SER 45 N 0.35 2.69 0.19 3.32 0.01 -1.26 -4.50 113.70 114.50 2aff s SER 45 Ca 0.11 0.88 -0.09 0.00 1.31 0.00 0.00 55.95 58.16 2aff s SER 45 Cb -0.12 -1.36 0.11 0.00 0.21 0.00 0.00 66.02 64.86 2aff s SER 45 CO 0.00 -3.06 1.71 0.11 0.41 0.00 0.00 173.24 172.41 2aff h LYS 46 N -1.85 1.11 0.00 12.44 1.57 -1.94 -2.33 116.57 125.58 2aff h LYS 46 Ca -0.50 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.01 2aff h LYS 46 Cb 1.32 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2aff h LYS 46 CO 0.53 0.99 -1.22 1.04 -0.57 0.00 0.00 179.45 180.22 2aff n GLN 47 N -4.25 0.55 0.00 3.15 1.13 -1.26 -3.82 117.38 112.88 2aff n GLN 47 Ca 0.05 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2aff n GLN 47 Cb 0.26 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.48 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 -1.68 0.00 -4.67 1.08 -0.00 -1.00 -3.85 115.22 105.10 2aff n HIS 48 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.46 2aff n HIS 48 Cb 0.16 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.99 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 0.31 1.62 -0.10 0.00 2.20 -0.71 0.23 119.74 123.29 2aff s LYS 50 Ca -0.08 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2aff s LYS 50 Cb -0.13 -1.39 -0.02 0.00 -1.51 0.00 0.00 37.83 34.79 2aff s LYS 50 CO 0.03 -0.01 -0.13 0.42 -0.36 0.00 0.00 175.35 175.29 2aff s ILE 51 N 0.80 3.07 -0.17 5.43 1.01 0.08 0.44 121.20 131.85 2aff s ILE 51 Ca -0.12 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 2aff s ILE 51 Cb -0.15 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 2aff s ILE 51 CO 0.02 0.55 -0.10 -0.70 0.00 0.00 0.00 174.94 174.71 2aff s GLU 52 N 0.01 3.36 -0.22 2.79 2.12 -0.69 -2.15 118.70 123.92 2aff s GLU 52 Ca -0.04 -0.67 -0.16 0.00 0.36 0.00 0.00 54.97 54.46 2aff s GLU 52 Cb -0.14 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 2aff s GLU 52 CO 0.04 0.01 0.42 0.42 -0.54 0.00 0.00 175.26 175.61 2aff s ILE 53 N 0.89 5.17 -0.07 -3.70 -1.09 -0.48 -2.33 121.20 119.58 2aff s ILE 53 Ca -0.02 0.74 0.03 0.00 -2.23 0.00 0.00 60.65 59.17 2aff s ILE 53 Cb -0.15 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 2aff s ILE 53 CO 0.00 0.21 -0.18 -1.00 -1.23 0.00 0.00 174.94 172.75 2aff s HIS 54 N 1.54 1.94 0.51 3.97 3.76 -0.32 -4.97 115.29 121.73 2aff s HIS 54 Ca 0.19 -0.72 0.40 0.00 -0.15 0.00 0.00 55.06 54.78 2aff s HIS 54 Cb -0.15 -1.34 1.58 0.00 1.11 0.00 0.00 32.58 33.78 2aff s HIS 54 CO 0.09 -0.31 1.64 1.49 -0.85 0.00 0.00 174.74 176.80 2aff h GLU 55 N 6.73 0.04 0.20 1.40 4.57 -2.02 0.28 114.58 125.77 2aff h GLU 55 Ca -0.27 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 2aff h GLU 55 Cb 1.20 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2aff h GLU 55 CO 0.47 0.03 -0.09 1.96 -1.18 0.00 0.00 179.01 180.19 2aff h GLN 56 N 0.04 -0.26 0.00 1.92 4.20 -2.01 -3.48 115.11 115.52 2aff h GLN 56 Ca 0.81 0.02 -0.11 0.00 0.06 0.00 0.00 58.65 59.43 2aff h GLN 56 Cb 2.99 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 30.81 2aff h GLN 56 CO -0.16 -0.17 -0.01 -0.85 -0.67 0.00 0.00 178.83 176.98 2aff n GLU 57 N -2.85 0.47 -4.66 1.46 0.28 0.97 -5.16 120.64 111.15 2aff n GLU 57 Ca -0.03 -1.45 -0.33 0.00 -0.16 0.00 0.00 57.16 55.19 2aff n GLU 57 Cb 0.10 1.51 -0.14 0.00 1.43 0.00 0.00 31.44 34.34 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 -2.03 2.67 -0.10 -1.84 0.00 -1.26 -1.17 121.76 118.02 2aff s ALA 58 Ca 0.14 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2aff s ALA 58 Cb -0.01 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 2aff s ALA 58 CO 0.10 0.18 -0.18 0.42 0.00 0.00 0.00 175.76 176.28 2aff s ILE 59 N 0.45 2.60 -0.20 0.00 1.01 -0.98 0.22 121.20 124.30 2aff s ILE 59 Ca -0.09 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 2aff s ILE 59 Cb -0.16 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 2aff s ILE 59 CO 0.04 0.55 0.39 -0.22 0.00 0.00 0.00 174.94 175.71 2aff s LEU 60 N 0.19 4.16 -0.13 2.97 2.96 0.72 -1.70 118.68 127.84 2aff s LEU 60 Ca -0.11 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 2aff s LEU 60 Cb -0.16 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 2aff s LEU 60 CO 0.06 -0.06 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.96 2aff s HIS 61 N 1.24 2.96 -0.49 5.38 3.76 0.17 -1.24 115.29 127.07 2aff s HIS 61 Ca 0.19 -0.28 -0.19 0.00 -0.15 0.00 0.00 55.06 54.63 2aff s HIS 61 Cb -0.15 -1.87 0.05 0.00 1.11 0.00 0.00 32.58 31.72 2aff s HIS 61 CO 0.08 0.03 0.62 1.21 -0.85 0.00 0.00 174.74 175.82 2aff s ASN 62 N 0.06 6.23 0.00 1.40 2.47 -1.26 -1.74 114.94 122.10 2aff s ASN 62 Ca -0.01 -0.83 0.21 0.00 0.42 0.00 0.00 52.86 52.64 2aff s ASN 62 Cb -0.14 -2.29 -0.20 0.00 -1.45 0.00 0.00 41.25 37.17 2aff s ASN 62 CO 0.03 -0.86 0.89 0.49 -3.72 0.00 0.00 177.10 173.93 2aff n PHE 63 N 6.16 0.00 -2.39 0.43 3.01 -0.13 -4.84 117.46 119.71 2aff n PHE 63 Ca -0.06 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.01 2aff n PHE 63 Cb 0.46 0.00 -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 -2.89 5.91 0.18 4.37 0.15 0.22 -4.55 113.70 117.10 2aff s SER 64 Ca 0.09 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.38 2aff s SER 64 Cb 0.16 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.97 2aff s SER 64 CO 0.81 -1.99 1.42 0.77 1.20 0.00 0.00 173.24 175.46 2aff h SER 65 N 11.36 0.26 -0.07 5.45 4.64 -1.90 -3.07 113.55 130.23 2aff h SER 65 Ca -0.19 -0.20 -0.16 0.00 -0.47 0.00 0.00 61.79 60.77 2aff h SER 65 Cb 1.07 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.09 2aff h SER 65 CO 1.28 0.96 -0.59 0.74 -0.87 0.00 0.00 176.83 178.35 2aff h THR 66 N 0.13 1.37 -2.69 2.95 2.02 -1.98 -3.42 112.91 111.28 2aff h THR 66 Ca -0.03 -1.94 -0.53 0.00 0.77 0.00 0.00 66.41 64.68 2aff h THR 66 Cb 1.40 2.31 -0.39 0.00 -1.74 0.00 0.00 68.15 69.73 2aff h THR 66 CO 0.12 0.58 -0.78 0.20 0.37 0.00 0.00 175.52 176.01 2aff s ASN 67 N -6.77 3.27 0.48 4.18 0.01 -1.23 -5.14 114.94 109.73 2aff s ASN 67 Ca -0.12 -1.45 -0.23 0.00 -0.71 0.00 0.00 52.86 50.35 2aff s ASN 67 Cb 0.05 -0.29 -0.08 0.00 0.41 0.00 0.00 41.25 41.34 2aff s ASN 67 CO 0.84 -0.41 1.13 -2.65 -1.51 0.00 0.00 177.10 174.50 2aff n PRO 68 N 4.99 1.48 -2.34 -0.60 -0.02 -1.16 -4.63 135.00 132.73 2aff n PRO 68 Ca -0.02 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 2aff n PRO 68 Cb 0.41 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 2aff n PRO 68 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2aff s THR 69 N -1.31 3.35 -0.10 3.45 2.01 -1.26 -4.76 115.64 117.03 2aff s THR 69 Ca 0.66 1.23 -0.06 0.00 0.31 0.00 0.00 61.69 63.83 2aff s THR 69 Cb -0.49 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 2aff s THR 69 CO 0.54 0.24 0.12 -1.10 -0.69 0.00 0.00 174.62 173.73 2aff s GLN 70 N -0.81 3.37 -0.02 4.92 -0.21 -0.41 -2.16 119.66 124.33 2aff s GLN 70 Ca 0.50 -0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.71 2aff s GLN 70 Cb -0.34 -3.12 0.01 0.00 1.00 0.00 0.00 33.01 30.55 2aff s GLN 70 CO 0.41 0.76 -0.05 0.54 -2.12 0.00 0.00 175.29 174.82 2aff s VAL 71 N -1.04 0.48 -0.98 1.09 0.11 0.52 0.22 120.40 120.80 2aff s VAL 71 Ca 0.16 -0.19 -0.02 0.00 -2.93 0.00 0.00 61.98 59.00 2aff s VAL 71 Cb -0.12 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.30 2aff s VAL 71 CO 0.05 0.16 0.08 0.59 -3.33 0.00 0.00 175.10 172.66 2aff n ASN 72 N 3.36 -3.57 -0.81 3.54 3.02 -0.64 0.10 115.26 120.26 2aff n ASN 72 Ca -0.18 0.13 -0.07 0.00 -0.03 0.00 0.00 54.58 54.43 2aff n ASN 72 Cb 0.55 -3.03 -0.01 0.00 -0.61 0.00 0.00 39.78 36.68 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 -0.84 0.16 2.82 7.41 0.00 -1.26 -5.03 105.19 108.45 2aff n GLY 73 Ca -0.11 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.69 1.23 0.31 1.61 0.01 0.29 -5.10 113.70 109.36 2aff s SER 74 Ca 0.00 -0.10 -0.28 0.00 1.31 0.00 0.00 55.95 56.88 2aff s SER 74 Cb 0.00 -0.42 -0.10 0.00 0.21 0.00 0.00 66.02 65.71 2aff s SER 74 CO 0.00 -0.13 1.16 0.68 0.41 0.00 0.00 173.24 175.36 2aff s VAL 75 N 1.48 3.24 0.01 3.43 -7.23 -1.26 -0.35 120.40 119.72 2aff s VAL 75 Ca -0.02 1.21 0.08 0.00 -1.81 0.00 0.00 61.98 61.44 2aff s VAL 75 Cb -0.13 -3.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.03 2aff s VAL 75 CO -0.03 0.26 -0.25 0.27 -0.31 0.00 0.00 175.10 175.04 2aff s ILE 76 N -1.21 1.99 -0.46 -0.62 -4.36 -0.92 -4.94 121.20 110.68 2aff s ILE 76 Ca 0.48 -1.18 0.17 0.00 -0.26 0.00 0.00 60.65 59.86 2aff s ILE 76 Cb -0.34 -1.67 -0.22 0.00 1.25 0.00 0.00 42.46 41.49 2aff s ILE 76 CO 0.43 0.46 0.56 -0.90 0.24 0.00 0.00 174.94 175.74 2aff n ASP 77 N 2.18 0.91 -4.40 4.36 5.75 -1.26 -4.37 116.55 119.73 2aff n ASP 77 Ca -0.16 -0.51 -0.20 0.00 -0.01 0.00 0.00 54.79 53.91 2aff n ASP 77 Cb 0.52 1.34 -0.10 0.00 -1.03 0.00 0.00 41.12 41.84 2aff n ASP 77 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2aff s GLU 78 N -2.84 1.50 0.53 0.11 -1.05 -1.26 -4.91 118.70 110.77 2aff s GLU 78 Ca 0.01 -1.78 -0.22 0.00 -0.15 0.00 0.00 54.97 52.83 2aff s GLU 78 Cb 0.12 -0.85 -0.05 0.00 -0.44 0.00 0.00 34.13 32.91 2aff s GLU 78 CO 0.70 -0.09 1.28 -1.25 0.95 0.00 0.00 175.26 176.85 2aff s PRO 79 N -3.83 3.31 -0.00 -4.83 0.04 -1.26 -4.64 135.00 123.78 2aff s PRO 79 Ca 0.31 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.41 2aff s PRO 79 Cb 0.06 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2aff s PRO 79 CO 0.12 -0.99 -0.08 0.08 0.04 0.00 0.00 177.00 176.16 2aff s VAL 80 N -1.42 0.63 0.06 -0.36 1.01 -0.37 -4.97 120.40 114.98 2aff s VAL 80 Ca 0.70 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 2aff s VAL 80 Cb -0.35 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 2aff s VAL 80 CO 0.42 0.15 1.30 -0.13 0.00 0.00 0.00 175.10 176.83 2aff s ARG 81 N -0.25 4.37 -0.02 2.72 0.52 -1.26 -0.20 118.95 124.82 2aff s ARG 81 Ca 0.03 1.90 -0.26 0.00 -0.52 0.00 0.00 55.73 56.88 2aff s ARG 81 Cb -0.03 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 2aff s ARG 81 CO -0.00 -0.38 0.79 -0.51 0.02 0.00 0.00 175.30 175.22 2aff s LEU 82 N 1.34 4.37 0.14 2.53 1.43 0.58 -4.87 118.68 124.20 2aff s LEU 82 Ca 0.61 1.38 0.09 0.00 -1.03 0.00 0.00 54.13 55.18 2aff s LEU 82 Cb -0.32 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2aff s LEU 82 CO 0.29 -0.12 -0.20 -0.54 0.23 0.00 0.00 176.35 176.01 2aff s LYS 83 N 0.62 1.24 0.01 1.70 1.02 -1.26 -4.17 119.74 118.90 2aff s LYS 83 Ca 0.42 -1.33 -0.33 0.00 0.02 0.00 0.00 55.97 54.75 2aff s LYS 83 Cb -0.19 -1.41 -0.11 0.00 -0.52 0.00 0.00 37.83 35.60 2aff s LYS 83 CO 0.22 0.30 1.85 1.58 -0.92 0.00 0.00 175.35 178.38 2aff n HIS 84 N 0.58 2.41 0.00 3.18 -0.00 -1.26 -1.31 115.22 118.82 2aff n HIS 84 Ca -0.15 -0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.50 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 4.26 3.03 3.77 1.57 0.00 0.17 -4.94 105.19 113.04 2aff n GLY 85 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2aff n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aff s ASP 86 N -1.36 6.73 -0.14 1.61 1.01 -0.43 -4.78 116.67 119.30 2aff s ASP 86 Ca 0.00 2.71 -0.02 0.00 0.71 0.00 0.00 52.55 55.95 2aff s ASP 86 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 2aff s ASP 86 CO 0.00 -0.58 -0.09 -0.69 0.21 0.00 0.00 175.17 174.02 2aff s VAL 87 N -0.97 3.40 -0.14 -1.27 1.01 -1.26 -2.16 120.40 118.99 2aff s VAL 87 Ca 0.51 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 2aff s VAL 87 Cb -0.40 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2aff s VAL 87 CO 0.52 0.51 0.31 -0.63 0.00 0.00 0.00 175.10 175.82 2aff s ILE 88 N 0.35 5.28 -0.14 2.22 1.01 -0.59 -1.62 121.20 127.71 2aff s ILE 88 Ca -0.08 0.60 0.02 0.00 0.00 0.00 0.00 60.65 61.19 2aff s ILE 88 Cb -0.15 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.68 2aff s ILE 88 CO 0.05 0.41 -0.21 -0.89 0.00 0.00 0.00 174.94 174.29 2aff s THR 89 N 0.31 1.99 -0.17 2.92 2.01 0.60 0.15 115.64 123.44 2aff s THR 89 Ca 0.18 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.26 2aff s THR 89 Cb -0.13 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.63 2aff s THR 89 CO 0.05 0.53 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.69 2aff s ILE 90 N 0.89 2.13 0.00 1.82 1.01 0.37 -1.29 121.20 126.13 2aff s ILE 90 Ca -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.67 2aff s ILE 90 Cb -0.15 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.43 2aff s ILE 90 CO -0.03 0.54 0.00 -0.38 0.00 0.00 0.00 174.94 175.07 2aff n ILE 91 N 4.51 0.00 -1.25 2.92 2.08 -1.26 0.35 119.36 126.72 2aff n ILE 91 Ca -0.21 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.16 2aff n ILE 91 Cb 0.50 0.00 0.20 0.00 -0.75 0.00 0.00 39.64 39.59 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2aff n ASP 92 N 8.32 2.61 -4.13 4.38 2.03 -1.26 -4.99 116.55 123.52 2aff n ASP 92 Ca 0.00 -3.40 -0.19 0.00 0.52 0.00 0.00 54.79 51.73 2aff n ASP 92 Cb 0.00 -0.53 -0.13 0.00 -0.72 0.00 0.00 41.12 39.75 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 -3.03 0.83 0.05 -0.67 0.52 0.16 -4.60 118.95 112.21 2aff s ARG 93 Ca 0.39 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.82 2aff s ARG 93 Cb 0.34 -0.81 -0.03 0.00 0.52 0.00 0.00 34.95 34.97 2aff s ARG 93 CO 0.02 0.19 -0.01 -1.54 0.02 0.00 0.00 175.30 173.98 2aff s SER 94 N -1.24 0.42 -0.11 0.23 1.04 -1.26 0.14 113.70 112.92 2aff s SER 94 Ca -0.01 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.54 2aff s SER 94 Cb -0.08 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.25 2aff s SER 94 CO 0.01 -0.57 -0.13 -0.36 0.98 0.00 0.00 173.24 173.17 2aff s PHE 95 N -3.56 1.85 -0.10 5.02 0.40 0.12 -1.40 117.98 120.30 2aff s PHE 95 Ca 0.04 -0.89 -0.25 0.00 -0.60 0.00 0.00 56.93 55.23 2aff s PHE 95 Cb 0.05 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 2aff s PHE 95 CO -0.09 -0.49 0.78 1.03 0.70 0.00 0.00 175.22 177.15 2aff s ARG 96 N 1.15 4.40 -0.21 0.44 0.52 -0.82 -1.54 118.95 122.88 2aff s ARG 96 Ca -0.04 0.98 -0.14 0.00 -0.52 0.00 0.00 55.73 56.01 2aff s ARG 96 Cb -0.14 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 2aff s ARG 96 CO -0.03 -0.09 0.32 -0.47 0.02 0.00 0.00 175.30 175.05 2aff s TYR 97 N 1.30 3.36 -0.09 -0.53 5.04 -0.92 -1.96 117.35 123.55 2aff s TYR 97 Ca 0.39 0.50 0.00 0.00 -2.44 0.00 0.00 57.07 55.53 2aff s TYR 97 Cb -0.18 -2.44 0.02 0.00 0.35 0.00 0.00 41.96 39.72 2aff s TYR 97 CO 0.17 0.03 -0.07 -1.21 -1.34 0.00 0.00 175.55 173.13 2aff s GLU 98 N 1.16 1.39 -0.64 4.97 2.02 -0.62 -0.66 118.70 126.32 2aff s GLU 98 Ca 0.16 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 54.88 2aff s GLU 98 Cb -0.14 -1.43 0.17 0.00 0.10 0.00 0.00 34.13 32.83 2aff s GLU 98 CO 0.07 -0.21 0.47 1.21 0.02 0.00 0.00 175.26 176.82 2aff s ASN 99 N 1.51 5.41 0.00 -0.19 2.47 -1.26 -0.79 114.94 122.09 2aff s ASN 99 Ca 0.01 -2.82 0.00 0.00 0.42 0.00 0.00 52.86 50.46 2aff s ASN 99 Cb -0.13 -1.89 0.00 0.00 -1.45 0.00 0.00 41.25 37.77 2aff s ASN 99 CO -0.05 -0.40 0.00 -0.62 -3.72 0.00 0.00 177.10 172.31