#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 0.94 -3.50 0.52 1.35 -1.90 -3.46 112.91 106.86 2aff h THR 4 Ca 0.00 -2.64 -0.60 0.00 -0.55 0.00 0.00 66.41 62.61 2aff h THR 4 Cb 0.00 2.63 -0.12 0.00 -1.73 0.00 0.00 68.15 68.93 2aff h THR 4 CO 0.00 0.78 -0.22 -0.13 -0.25 0.00 0.00 175.52 175.70 2aff s ARG 5 N -2.60 4.16 -0.00 4.72 0.52 -1.26 0.21 118.95 124.70 2aff s ARG 5 Ca -0.12 0.16 0.03 0.00 -0.52 0.00 0.00 55.73 55.27 2aff s ARG 5 Cb 0.07 -3.54 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 2aff s ARG 5 CO 0.83 -0.05 -0.08 1.03 0.02 0.00 0.00 175.30 177.04 2aff s ARG 6 N 1.34 0.68 -0.07 3.54 0.52 -0.61 -2.02 118.95 122.34 2aff s ARG 6 Ca 0.18 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 55.10 2aff s ARG 6 Cb -0.15 -0.66 -0.03 0.00 0.52 0.00 0.00 34.95 34.64 2aff s ARG 6 CO 0.08 0.18 -0.12 -0.51 0.02 0.00 0.00 175.30 174.95 2aff s LEU 7 N -0.23 2.86 -0.13 2.53 1.43 -0.91 -2.06 118.68 122.17 2aff s LEU 7 Ca 0.03 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2aff s LEU 7 Cb -0.03 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2aff s LEU 7 CO -0.00 0.32 -0.11 -0.69 0.23 0.00 0.00 176.35 176.10 2aff s VAL 8 N -0.59 3.27 0.07 -1.59 1.01 -0.96 0.07 120.40 121.69 2aff s VAL 8 Ca 0.08 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 2aff s VAL 8 Cb -0.11 -2.38 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 2aff s VAL 8 CO 0.01 0.53 0.73 -0.89 0.00 0.00 0.00 175.10 175.49 2aff s THR 9 N 0.20 4.66 -0.09 3.92 2.01 -0.91 -1.94 115.64 123.49 2aff s THR 9 Ca -0.06 1.57 -0.01 0.00 0.31 0.00 0.00 61.69 63.50 2aff s THR 9 Cb -0.15 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2aff s THR 9 CO 0.04 0.42 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.73 2aff s ILE 10 N -0.41 3.96 0.37 1.82 1.01 -0.67 -2.47 121.20 124.81 2aff s ILE 10 Ca 0.36 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 2aff s ILE 10 Cb -0.21 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 2aff s ILE 10 CO 0.23 0.58 0.63 -0.54 0.00 0.00 0.00 174.94 175.84 2aff s LYS 11 N -0.61 3.55 0.62 2.79 1.02 -0.57 -4.18 119.74 122.37 2aff s LYS 11 Ca 0.09 -0.05 0.34 0.00 0.02 0.00 0.00 55.97 56.37 2aff s LYS 11 Cb -0.12 -2.56 1.98 0.00 -0.52 0.00 0.00 37.83 36.61 2aff s LYS 11 CO 0.02 0.05 2.26 0.00 -0.92 0.00 0.00 175.35 176.76 2aff h ARG 12 N 0.87 0.00 0.00 1.68 3.08 -1.90 0.44 114.38 118.54 2aff h ARG 12 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2aff h ARG 12 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2aff h ARG 12 CO 0.63 0.00 0.00 1.03 -1.07 0.00 0.00 179.97 180.56 2aff h SER 13 N 0.00 0.00 -0.23 7.04 0.87 -1.92 -3.47 113.55 115.84 2aff h SER 13 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2aff h SER 13 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 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 1.11 1.14 3.27 5.77 0.00 0.15 -5.09 105.19 111.54 2aff n GLY 14 Ca 0.05 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.23 2.15 -0.19 1.61 1.01 -1.25 -4.87 120.40 116.64 2aff s VAL 15 Ca 0.00 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 2aff s VAL 15 Cb 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2aff s VAL 15 CO 0.00 0.57 1.18 -0.62 0.00 0.00 0.00 175.10 176.23 2aff s ASP 16 N -0.06 7.00 0.00 3.32 -1.08 -1.26 -1.51 116.67 123.08 2aff s ASP 16 Ca -0.06 1.58 0.00 0.00 -0.52 0.00 0.00 52.55 53.55 2aff s ASP 16 Cb -0.15 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2aff s ASP 16 CO 0.05 -0.73 0.00 0.61 0.52 0.00 0.00 175.17 175.62 2aff n GLY 17 N 3.50 1.59 3.81 2.66 0.00 -1.03 -5.02 105.19 110.70 2aff n GLY 17 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 3.48 3.55 0.21 1.61 0.04 -1.26 -4.76 135.00 137.86 2aff s PRO 18 Ca 0.00 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.34 2aff s PRO 18 Cb 0.00 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2aff s PRO 18 CO 0.00 -0.62 -0.00 -3.38 0.04 0.00 0.00 177.00 173.04 2aff s HIS 19 N -2.33 2.79 -0.32 0.56 -3.43 -1.26 -2.14 115.29 109.15 2aff s HIS 19 Ca 0.64 -0.17 0.02 0.00 -0.80 0.00 0.00 55.06 54.75 2aff s HIS 19 Cb -0.15 -1.31 0.10 0.00 -1.43 0.00 0.00 32.58 29.78 2aff s HIS 19 CO 0.31 0.55 0.05 0.12 -2.00 0.00 0.00 174.74 173.77 2aff s PHE 20 N -1.93 3.11 0.16 0.38 5.36 0.11 -4.96 117.98 120.21 2aff s PHE 20 Ca 0.29 -2.57 -0.30 0.00 -0.96 0.00 0.00 56.93 53.39 2aff s PHE 20 Cb -0.08 -2.49 -0.08 0.00 -0.34 0.00 0.00 43.02 40.03 2aff s PHE 20 CO 0.19 -0.92 1.18 -1.25 -1.46 0.00 0.00 175.22 172.96 2aff s PRO 21 N 1.13 4.50 -1.28 10.12 0.04 -1.26 -2.15 135.00 146.10 2aff s PRO 21 Ca 0.09 1.83 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 2aff s PRO 21 Cb -0.19 -3.26 0.16 0.00 0.04 0.00 0.00 34.50 31.25 2aff s PRO 21 CO -0.13 -0.08 1.84 1.28 0.04 0.00 0.00 177.00 179.95 2aff n LEU 22 N 2.69 6.43 0.00 -3.56 4.77 -0.86 -4.63 117.00 121.85 2aff n LEU 22 Ca 0.05 -4.57 0.14 0.00 -0.03 0.00 0.00 56.01 51.60 2aff n LEU 22 Cb 0.45 -1.52 0.68 0.00 -2.33 0.00 0.00 43.42 40.70 2aff n LEU 22 CO 0.55 1.24 0.98 -1.54 -1.33 0.00 0.00 177.39 177.30 2aff n SER 23 N 4.38 0.00 -4.87 -1.43 3.41 -1.26 -4.74 113.62 109.10 2aff n SER 23 Ca 0.40 0.23 -0.36 0.00 -0.26 0.00 0.00 58.87 58.89 2aff n SER 23 Cb 0.38 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.82 4.39 0.56 1.04 1.43 -1.26 -4.98 118.68 117.04 2aff s LEU 24 Ca 0.20 0.61 0.34 0.00 -1.03 0.00 0.00 54.13 54.25 2aff s LEU 24 Cb 0.19 -2.49 1.63 0.00 0.03 0.00 0.00 46.19 45.55 2aff s LEU 24 CO 0.50 0.31 2.10 0.77 0.23 0.00 0.00 176.35 180.25 2aff h SER 25 N 4.39 0.00 -3.80 2.29 4.64 -1.89 -3.42 113.55 115.75 2aff h SER 25 Ca -0.52 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.41 2aff h SER 25 Cb 1.21 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.99 2aff h SER 25 CO 0.63 0.05 -0.78 -0.89 -0.87 0.00 0.00 176.83 174.98 2aff s THR 26 N -3.94 0.63 -0.04 2.95 2.01 -1.26 -0.75 115.64 115.24 2aff s THR 26 Ca -0.02 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.71 2aff s THR 26 Cb 0.11 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 72.07 2aff s THR 26 CO 0.53 0.20 -0.04 0.00 -0.69 0.00 0.00 174.62 174.62 2aff s LEU 28 N 0.94 2.12 -0.08 0.00 2.96 -1.26 -0.97 118.68 122.39 2aff s LEU 28 Ca -0.11 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 2aff s LEU 28 Cb -0.14 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2aff s LEU 28 CO -0.00 0.18 0.04 -0.36 -1.32 0.00 0.00 176.35 174.89 2aff s PHE 29 N 0.22 3.28 -5.00 5.38 0.40 0.16 0.48 117.98 122.91 2aff s PHE 29 Ca -0.15 0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.45 2aff s PHE 29 Cb -0.17 -1.82 0.00 0.00 0.51 0.00 0.00 43.02 41.55 2aff s PHE 29 CO 0.08 0.54 0.00 0.41 0.70 0.00 0.00 175.22 176.95 2aff n GLY 30 N 1.97 0.04 0.09 4.36 0.00 -0.91 -2.44 105.19 108.29 2aff n GLY 30 Ca -0.18 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 2.74 0.08 -6.53 1.61 3.08 -1.29 -2.74 114.38 111.33 2aff h ARG 31 Ca 0.00 -0.13 -0.58 0.00 0.07 0.00 0.00 59.98 59.34 2aff h ARG 31 Cb 0.00 0.05 0.18 0.00 0.08 0.00 0.00 29.97 30.28 2aff h ARG 31 CO 0.00 0.82 -0.43 0.41 -1.07 0.00 0.00 179.97 179.70 2aff n GLY 32 N 1.55 -1.59 0.29 0.04 0.00 -0.89 -4.83 105.19 99.76 2aff n GLY 32 Ca -0.13 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 0.05 1.27 -0.21 -0.61 6.09 -1.92 -2.06 117.51 120.13 2aff h ILE 33 Ca -0.45 -1.16 0.06 0.00 -1.37 0.00 0.00 64.86 61.93 2aff h ILE 33 Cb 1.39 0.87 -0.01 0.00 0.47 0.00 0.00 36.82 39.54 2aff h ILE 33 CO 0.45 0.42 0.31 -0.08 -3.07 0.00 0.00 178.15 176.18 2aff h GLU 34 N 0.91 0.00 -6.14 2.19 4.81 -1.95 -3.41 114.58 110.99 2aff h GLU 34 Ca 0.16 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.79 2aff h GLU 34 Cb 0.58 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.96 2aff h GLU 34 CO 0.03 0.00 1.31 0.00 -0.73 0.00 0.00 179.01 179.62 2aff h ASP 36 N 11.95 0.00 -3.21 0.00 3.32 -0.21 -3.35 116.42 124.92 2aff h ASP 36 Ca -0.43 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.11 2aff h ASP 36 Cb 1.26 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.45 2aff h ASP 36 CO 0.96 0.00 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.05 2aff s ILE 37 N -4.26 0.98 -0.14 0.35 1.01 -0.65 -4.95 121.20 113.53 2aff s ILE 37 Ca -0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 2aff s ILE 37 Cb 0.12 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2aff s ILE 37 CO 0.41 0.36 0.03 -0.13 0.00 0.00 0.00 174.94 175.61 2aff s ARG 38 N 1.63 3.58 -0.12 2.79 0.52 -1.26 -2.14 118.95 123.95 2aff s ARG 38 Ca 0.03 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.88 2aff s ARG 38 Cb -0.13 -3.02 -0.00 0.00 0.52 0.00 0.00 34.95 32.32 2aff s ARG 38 CO -0.07 0.43 -0.20 0.42 0.02 0.00 0.00 175.30 175.90 2aff s ILE 39 N -0.11 2.31 -0.01 1.52 1.01 -1.03 -4.98 121.20 119.90 2aff s ILE 39 Ca 0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 39 Cb -0.12 -1.92 -0.09 0.00 0.01 0.00 0.00 42.46 40.33 2aff s ILE 39 CO 0.02 0.54 2.58 0.00 0.00 0.00 0.00 174.94 178.08 2aff n GLN 40 N 3.74 1.38 -4.61 2.79 6.02 -1.26 -4.55 117.38 120.88 2aff n GLN 40 Ca -0.19 -0.40 -0.33 0.00 -0.01 0.00 0.00 57.00 56.07 2aff n GLN 40 Cb 0.52 -1.37 -0.12 0.00 1.02 0.00 0.00 30.24 30.29 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 -0.05 3.05 0.00 1.08 1.43 -1.26 -5.00 118.68 117.94 2aff s LEU 41 Ca 0.24 -0.15 0.22 0.00 -1.03 0.00 0.00 54.13 53.41 2aff s LEU 41 Cb 0.12 -1.69 0.93 0.00 0.03 0.00 0.00 46.19 45.58 2aff s LEU 41 CO -0.00 0.25 1.69 -0.81 0.23 0.00 0.00 176.35 177.71 2aff n PRO 42 N 3.00 0.02 -0.08 1.29 -0.04 -1.26 -2.44 135.00 135.48 2aff n PRO 42 Ca -0.18 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 2aff n PRO 42 Cb 0.53 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.63 2aff n PRO 42 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2aff n VAL 43 N -1.49 0.23 -3.46 0.52 0.24 -1.26 -4.92 118.33 108.19 2aff n VAL 43 Ca 0.05 -0.61 -0.38 0.00 -2.04 0.00 0.00 64.34 61.36 2aff n VAL 43 Cb 0.25 1.25 -0.06 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.69 5.11 0.79 3.34 1.01 -1.02 -4.95 120.40 123.00 2aff s VAL 44 Ca 0.31 0.83 -0.10 0.00 0.00 0.00 0.00 61.98 63.01 2aff s VAL 44 Cb 0.20 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.93 2aff s VAL 44 CO 0.29 0.48 1.10 -0.44 0.00 0.00 0.00 175.10 176.54 2aff s SER 45 N -0.39 4.25 0.19 3.32 0.01 -1.26 -4.60 113.70 115.22 2aff s SER 45 Ca 0.23 1.89 -0.11 0.00 1.31 0.00 0.00 55.95 59.27 2aff s SER 45 Cb -0.16 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.67 2aff s SER 45 CO 0.11 -2.21 1.81 0.11 0.41 0.00 0.00 173.24 173.47 2aff h LYS 46 N -1.24 0.96 0.00 12.44 1.57 -1.94 -2.11 116.57 126.25 2aff h LYS 46 Ca -0.43 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2aff h LYS 46 Cb 1.24 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2aff h LYS 46 CO 0.50 0.71 -0.91 1.04 -0.57 0.00 0.00 179.45 180.22 2aff n GLN 47 N -4.51 1.97 0.00 3.15 6.02 -1.26 -2.10 117.38 120.64 2aff n GLN 47 Ca 0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2aff n GLN 47 Cb 0.08 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.34 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2aff n HIS 48 N -1.50 0.00 -4.23 1.08 -0.00 -1.16 -4.07 115.22 105.35 2aff n HIS 48 Ca -0.00 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.00 2aff n HIS 48 Cb 0.13 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.85 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 0.04 1.75 -0.01 0.00 2.20 -0.54 0.39 119.74 123.57 2aff s LYS 50 Ca -0.00 -0.65 0.06 0.00 -0.36 0.00 0.00 55.97 55.02 2aff s LYS 50 Cb -0.05 -1.56 -0.01 0.00 -1.51 0.00 0.00 37.83 34.70 2aff s LYS 50 CO -0.00 0.30 -0.18 -1.50 -0.36 0.00 0.00 175.35 173.61 2aff s ILE 51 N -0.12 1.40 -0.05 5.43 2.07 -0.14 0.95 121.20 130.73 2aff s ILE 51 Ca -0.00 -0.80 0.05 0.00 -1.41 0.00 0.00 60.65 58.49 2aff s ILE 51 Cb -0.10 -1.17 -0.01 0.00 0.13 0.00 0.00 42.46 41.31 2aff s ILE 51 CO 0.01 0.36 -0.22 -1.61 -1.91 0.00 0.00 174.94 171.57 2aff s GLU 52 N -0.52 2.20 -0.28 3.50 2.02 0.18 -2.24 118.70 123.56 2aff s GLU 52 Ca 0.07 -0.78 -0.05 0.00 0.02 0.00 0.00 54.97 54.23 2aff s GLU 52 Cb -0.07 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.29 2aff s GLU 52 CO -0.00 0.33 0.04 0.42 0.02 0.00 0.00 175.26 176.06 2aff s ILE 53 N -0.10 3.61 0.02 -1.63 1.01 0.07 -0.53 121.20 123.64 2aff s ILE 53 Ca -0.03 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.86 2aff s ILE 53 Cb -0.13 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 2aff s ILE 53 CO 0.03 0.10 -0.17 -1.00 0.00 0.00 0.00 174.94 173.90 2aff s HIS 54 N 1.44 2.59 0.57 3.97 3.76 0.24 -4.88 115.29 122.97 2aff s HIS 54 Ca 0.01 -0.24 0.48 0.00 -0.15 0.00 0.00 55.06 55.16 2aff s HIS 54 Cb -0.17 -1.50 1.64 0.00 1.11 0.00 0.00 32.58 33.65 2aff s HIS 54 CO 0.00 0.23 1.54 0.93 -0.85 0.00 0.00 174.74 176.59 2aff h GLU 55 N 4.73 0.00 0.03 1.40 5.08 -2.02 0.36 114.58 124.16 2aff h GLU 55 Ca -0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2aff h GLU 55 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2aff h GLU 55 CO 0.48 0.00 -0.01 1.96 -1.00 0.00 0.00 179.01 180.44 2aff h GLN 56 N 0.00 -0.04 0.00 2.33 4.20 -2.01 -3.49 115.11 116.10 2aff h GLN 56 Ca 0.89 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.60 2aff h GLN 56 Cb 3.69 0.01 0.00 0.00 0.30 0.00 0.00 27.48 31.48 2aff h GLN 56 CO -0.01 -0.02 0.00 -0.85 -0.67 0.00 0.00 178.83 177.28 2aff n GLU 57 N -2.12 0.00 -4.38 1.46 0.28 0.13 -5.16 120.64 110.85 2aff n GLU 57 Ca -0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 2aff n GLU 57 Cb 0.02 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.77 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2aff s ALA 58 N -1.00 3.07 -0.08 -1.84 0.00 -1.26 -0.60 121.76 120.06 2aff s ALA 58 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.19 2aff s ALA 58 Cb 0.00 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 2aff s ALA 58 CO 0.00 0.28 -0.22 0.42 0.00 0.00 0.00 175.76 176.25 2aff s ILE 59 N 0.12 1.85 -0.20 0.00 1.01 0.31 -0.61 121.20 123.68 2aff s ILE 59 Ca -0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 2aff s ILE 59 Cb -0.13 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 2aff s ILE 59 CO 0.02 0.52 0.16 -0.22 0.00 0.00 0.00 174.94 175.42 2aff s LEU 60 N 0.20 4.19 -0.08 2.97 2.96 -0.27 -0.65 118.68 128.00 2aff s LEU 60 Ca -0.12 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 2aff s LEU 60 Cb -0.16 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 2aff s LEU 60 CO 0.06 0.14 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.06 2aff s HIS 61 N 0.55 2.68 -0.53 5.38 3.76 0.27 -1.80 115.29 125.61 2aff s HIS 61 Ca 0.09 -0.49 -0.18 0.00 -0.15 0.00 0.00 55.06 54.34 2aff s HIS 61 Cb -0.12 -1.71 0.08 0.00 1.11 0.00 0.00 32.58 31.94 2aff s HIS 61 CO 0.00 -0.07 0.60 1.21 -0.85 0.00 0.00 174.74 175.64 2aff s ASN 62 N -0.17 6.20 0.00 1.40 2.47 -1.26 -1.47 114.94 122.10 2aff s ASN 62 Ca -0.01 -1.19 0.23 0.00 0.42 0.00 0.00 52.86 52.32 2aff s ASN 62 Cb -0.13 -2.27 0.20 0.00 -1.45 0.00 0.00 41.25 37.60 2aff s ASN 62 CO 0.03 -0.91 1.21 0.49 -3.72 0.00 0.00 177.10 174.20 2aff n PHE 63 N 5.99 0.00 -2.64 0.43 3.01 -0.61 -4.79 117.46 118.84 2aff n PHE 63 Ca -0.09 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.96 2aff n PHE 63 Cb 0.44 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.78 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 -2.83 6.22 0.11 4.37 0.15 -0.09 -4.62 113.70 117.01 2aff s SER 64 Ca 0.14 -0.77 0.03 0.00 0.70 0.00 0.00 55.95 56.05 2aff s SER 64 Cb 0.17 -2.52 -0.21 0.00 -1.71 0.00 0.00 66.02 61.76 2aff s SER 64 CO 0.71 -1.67 1.25 0.77 1.20 0.00 0.00 173.24 175.50 2aff h SER 65 N 9.84 0.16 -0.06 5.45 4.64 -1.90 -3.02 113.55 128.66 2aff h SER 65 Ca -0.21 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 2aff h SER 65 Cb 1.05 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2aff h SER 65 CO 1.27 1.11 0.01 0.74 -0.87 0.00 0.00 176.83 179.08 2aff h THR 66 N 0.03 1.22 -2.75 2.95 2.02 -2.00 -3.40 112.91 110.97 2aff h THR 66 Ca -0.05 -0.67 -0.56 0.00 0.77 0.00 0.00 66.41 65.91 2aff h THR 66 Cb 1.80 1.55 -0.40 0.00 -1.74 0.00 0.00 68.15 69.37 2aff h THR 66 CO 0.15 0.18 -0.80 0.20 0.37 0.00 0.00 175.52 175.63 2aff s ASN 67 N -5.56 3.37 0.45 4.18 0.01 -1.25 -5.13 114.94 111.00 2aff s ASN 67 Ca -0.14 -1.70 -0.24 0.00 -0.71 0.00 0.00 52.86 50.07 2aff s ASN 67 Cb 0.05 -0.43 -0.09 0.00 0.41 0.00 0.00 41.25 41.18 2aff s ASN 67 CO 0.69 -0.38 1.06 -2.65 -1.51 0.00 0.00 177.10 174.31 2aff n PRO 68 N 4.71 1.42 -2.28 -0.60 -0.02 -1.14 -4.70 135.00 132.39 2aff n PRO 68 Ca 0.02 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2aff n PRO 68 Cb 0.40 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.29 3.49 -0.06 3.45 2.01 -1.26 -4.76 115.64 117.22 2aff s THR 69 Ca 0.64 1.15 -0.09 0.00 0.31 0.00 0.00 61.69 63.70 2aff s THR 69 Cb -0.52 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 2aff s THR 69 CO 0.56 0.13 0.24 -1.10 -0.69 0.00 0.00 174.62 173.76 2aff s GLN 70 N 0.47 3.61 -0.02 4.92 -0.21 -0.81 -2.09 119.66 125.54 2aff s GLN 70 Ca 0.59 0.05 0.02 0.00 0.02 0.00 0.00 55.36 56.04 2aff s GLN 70 Cb -0.34 -3.18 -0.00 0.00 1.00 0.00 0.00 33.01 30.48 2aff s GLN 70 CO 0.34 0.73 -0.08 0.54 -2.12 0.00 0.00 175.29 174.70 2aff s VAL 71 N -1.08 0.68 -1.06 1.09 0.11 0.81 0.23 120.40 121.18 2aff s VAL 71 Ca 0.19 -0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2aff s VAL 71 Cb -0.14 -0.60 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 2aff s VAL 71 CO 0.09 0.21 0.21 0.59 -3.33 0.00 0.00 175.10 172.87 2aff n ASN 72 N 3.12 -3.60 -1.14 3.54 3.02 0.52 0.15 115.26 120.87 2aff n ASN 72 Ca -0.16 -0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.26 2aff n ASN 72 Cb 0.56 -3.03 -0.01 0.00 -0.61 0.00 0.00 39.78 36.69 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 -0.94 0.03 2.83 7.41 0.00 -1.26 -5.02 105.19 108.23 2aff n GLY 73 Ca -0.08 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.56 1.23 0.25 1.61 0.01 0.40 -5.10 113.70 109.55 2aff s SER 74 Ca 0.00 -0.10 -0.30 0.00 1.31 0.00 0.00 55.95 56.86 2aff s SER 74 Cb 0.00 -0.43 -0.09 0.00 0.21 0.00 0.00 66.02 65.70 2aff s SER 74 CO 0.00 -0.13 1.28 0.68 0.41 0.00 0.00 173.24 175.49 2aff s VAL 75 N 1.45 3.07 -0.20 3.43 -7.23 -1.26 -0.14 120.40 119.53 2aff s VAL 75 Ca -0.03 0.97 -0.01 0.00 -1.81 0.00 0.00 61.98 61.09 2aff s VAL 75 Cb -0.13 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.20 2aff s VAL 75 CO -0.03 0.18 -0.13 0.27 -0.31 0.00 0.00 175.10 175.09 2aff s ILE 76 N -0.47 2.67 -0.40 -0.62 -4.36 -0.89 -4.93 121.20 112.20 2aff s ILE 76 Ca 0.53 -0.73 0.23 0.00 -0.26 0.00 0.00 60.65 60.41 2aff s ILE 76 Cb -0.37 -2.17 0.16 0.00 1.25 0.00 0.00 42.46 41.32 2aff s ILE 76 CO 0.43 0.49 1.35 0.44 0.24 0.00 0.00 174.94 177.89 2aff h ASP 77 N 8.00 0.00 -2.92 4.36 3.32 -1.95 -3.40 116.42 123.83 2aff h ASP 77 Ca -0.44 -0.03 -0.50 0.00 0.02 0.00 0.00 57.03 56.09 2aff h ASP 77 Cb 1.15 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.56 2aff h ASP 77 CO 0.62 0.01 -0.64 -1.83 -1.72 0.00 0.00 179.24 175.68 2aff s GLU 78 N -3.26 1.62 0.59 3.56 -1.05 -1.26 -4.94 118.70 113.96 2aff s GLU 78 Ca 0.04 -1.86 -0.18 0.00 -0.15 0.00 0.00 54.97 52.82 2aff s GLU 78 Cb 0.09 -1.10 -0.04 0.00 -0.44 0.00 0.00 34.13 32.64 2aff s GLU 78 CO 0.72 -0.05 1.14 -1.25 0.95 0.00 0.00 175.26 176.77 2aff s PRO 79 N -3.78 3.12 0.01 -4.83 0.04 -1.26 -4.71 135.00 123.59 2aff s PRO 79 Ca 0.32 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 62.93 2aff s PRO 79 Cb 0.06 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2aff s PRO 79 CO 0.14 -1.04 0.02 0.14 0.04 0.00 0.00 177.00 176.30 2aff s VAL 80 N -1.90 0.09 0.10 -0.36 -7.23 -0.74 -5.01 120.40 105.34 2aff s VAL 80 Ca 0.72 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.84 2aff s VAL 80 Cb -0.24 -0.28 -0.06 0.00 0.56 0.00 0.00 36.38 36.37 2aff s VAL 80 CO 0.32 -0.41 1.00 -0.13 -0.31 0.00 0.00 175.10 175.56 2aff s ARG 81 N -1.27 4.65 0.22 4.82 0.52 -1.26 -1.11 118.95 125.51 2aff s ARG 81 Ca -0.14 1.50 -0.20 0.00 -0.52 0.00 0.00 55.73 56.37 2aff s ARG 81 Cb -0.08 -3.38 -0.08 0.00 0.52 0.00 0.00 34.95 31.93 2aff s ARG 81 CO -0.00 0.12 0.73 -0.51 0.02 0.00 0.00 175.30 175.66 2aff s LEU 82 N 0.19 4.35 0.09 2.53 1.43 0.22 -4.91 118.68 122.59 2aff s LEU 82 Ca 0.49 1.43 0.06 0.00 -1.03 0.00 0.00 54.13 55.08 2aff s LEU 82 Cb -0.24 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2aff s LEU 82 CO 0.30 0.04 -0.16 -0.54 0.23 0.00 0.00 176.35 176.22 2aff s LYS 83 N -1.94 0.97 -0.16 1.70 1.02 -1.26 -4.49 119.74 115.57 2aff s LYS 83 Ca 0.43 -1.09 -0.35 0.00 0.02 0.00 0.00 55.97 54.98 2aff s LYS 83 Cb -0.17 -1.04 -0.12 0.00 -0.52 0.00 0.00 37.83 35.99 2aff s LYS 83 CO 0.21 0.23 1.92 1.58 -0.92 0.00 0.00 175.35 178.37 2aff n HIS 84 N 1.04 2.19 0.00 3.18 -0.00 -1.26 0.02 115.22 120.38 2aff n HIS 84 Ca -0.19 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2aff n HIS 84 Cb 0.55 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 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 4.71 2.32 3.74 1.57 0.00 0.75 -4.96 105.19 113.31 2aff n GLY 85 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.61 6.76 -0.10 1.61 1.01 0.10 -4.73 116.67 119.71 2aff s ASP 86 Ca 0.00 2.57 0.01 0.00 0.71 0.00 0.00 52.55 55.84 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.61 -0.12 0.54 0.21 0.00 0.00 175.17 175.18 2aff s VAL 87 N -0.10 3.15 -0.18 -1.27 0.11 -1.26 -0.92 120.40 119.93 2aff s VAL 87 Ca 0.57 -0.65 -0.10 0.00 -2.93 0.00 0.00 61.98 58.87 2aff s VAL 87 Cb -0.40 -2.30 -0.05 0.00 -1.53 0.00 0.00 36.38 32.11 2aff s VAL 87 CO 0.42 0.55 0.15 -0.63 -3.33 0.00 0.00 175.10 172.26 2aff s ILE 88 N -0.03 5.42 -0.12 7.04 1.01 -0.56 -0.36 121.20 133.59 2aff s ILE 88 Ca -0.03 0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.87 2aff s ILE 88 Cb -0.14 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.87 2aff s ILE 88 CO 0.04 0.47 -0.18 -0.89 0.00 0.00 0.00 174.94 174.37 2aff s THR 89 N 0.13 1.75 -0.18 2.92 2.01 0.63 -0.46 115.64 122.44 2aff s THR 89 Ca 0.10 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 2aff s THR 89 Cb -0.11 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 2aff s THR 89 CO -0.00 0.49 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.73 2aff s ILE 90 N 0.87 3.54 0.00 1.82 1.01 0.90 -1.92 121.20 127.41 2aff s ILE 90 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2aff s ILE 90 Cb -0.15 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.74 2aff s ILE 90 CO -0.01 0.46 0.00 -0.38 0.00 0.00 0.00 174.94 175.01 2aff n ILE 91 N 4.14 0.00 -0.27 2.92 2.08 -1.26 0.35 119.36 127.31 2aff n ILE 91 Ca -0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.13 2aff n ILE 91 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.41 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 0.79 1.15 -4.60 4.38 -0.08 -1.26 -5.02 116.55 111.91 2aff n ASP 92 Ca 0.00 -1.42 -0.34 0.00 -1.51 0.00 0.00 54.79 51.51 2aff n ASP 92 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2aff s ARG 93 N -0.42 3.13 0.03 -0.67 0.52 1.07 -4.46 118.95 118.15 2aff s ARG 93 Ca 0.00 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 2aff s ARG 93 Cb 0.00 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 2aff s ARG 93 CO 0.00 0.56 -0.04 0.45 0.02 0.00 0.00 175.30 176.29 2aff s SER 94 N -0.49 0.39 -0.11 0.23 0.15 -1.26 0.31 113.70 112.92 2aff s SER 94 Ca 0.08 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.18 2aff s SER 94 Cb -0.12 0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.30 2aff s SER 94 CO 0.02 -0.32 -0.16 -0.36 1.20 0.00 0.00 173.24 173.62 2aff s PHE 95 N -1.75 2.02 0.04 3.44 0.40 0.39 -1.67 117.98 120.85 2aff s PHE 95 Ca -0.12 -0.94 -0.22 0.00 -0.60 0.00 0.00 56.93 55.05 2aff s PHE 95 Cb -0.08 -1.44 -0.06 0.00 0.51 0.00 0.00 43.02 41.95 2aff s PHE 95 CO -0.02 -0.47 0.67 1.03 0.70 0.00 0.00 175.22 177.13 2aff s ARG 96 N 0.91 4.39 -0.25 0.44 0.52 -0.82 -1.50 118.95 122.64 2aff s ARG 96 Ca -0.08 0.89 -0.13 0.00 -0.52 0.00 0.00 55.73 55.89 2aff s ARG 96 Cb -0.15 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 2aff s ARG 96 CO -0.01 0.40 0.26 -0.47 0.02 0.00 0.00 175.30 175.51 2aff s TYR 97 N -0.36 3.29 -0.02 -0.53 5.04 -0.09 -2.25 117.35 122.43 2aff s TYR 97 Ca 0.34 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 2aff s TYR 97 Cb -0.20 -2.41 0.03 0.00 0.35 0.00 0.00 41.96 39.73 2aff s TYR 97 CO 0.20 -0.06 0.02 -1.21 -1.34 0.00 0.00 175.55 173.17 2aff s GLU 98 N 1.47 0.02 -0.20 4.97 2.02 -0.88 -0.18 118.70 125.92 2aff s GLU 98 Ca 0.12 0.16 -0.12 0.00 0.02 0.00 0.00 54.97 55.14 2aff s GLU 98 Cb -0.15 -0.27 -0.05 0.00 0.10 0.00 0.00 34.13 33.76 2aff s GLU 98 CO 0.08 -0.15 0.24 -0.80 0.02 0.00 0.00 175.26 174.65 2aff s ASN 99 N 0.99 6.28 0.00 -0.19 0.01 -1.26 -1.57 114.94 119.20 2aff s ASN 99 Ca -0.09 0.32 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 2aff s ASN 99 Cb -0.12 -2.15 0.00 0.00 0.41 0.00 0.00 41.25 39.39 2aff s ASN 99 CO -0.03 0.06 0.44 -0.62 -1.51 0.00 0.00 177.10 175.45