#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 1.14 -3.32 0.52 -2.24 -1.26 -4.95 114.28 104.17 2aff n THR 4 Ca 0.00 -0.33 -0.38 0.00 -2.27 0.00 0.00 64.05 61.06 2aff n THR 4 Cb 0.00 -1.60 -0.07 0.00 -2.10 0.00 0.00 70.33 66.56 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 -2.38 4.23 0.06 -0.78 0.52 -1.26 -1.42 118.95 117.91 2aff s ARG 5 Ca -0.28 0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.30 2aff s ARG 5 Cb 0.10 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 2aff s ARG 5 CO 0.39 -0.02 -0.09 1.03 0.02 0.00 0.00 175.30 176.63 2aff s ARG 6 N 1.23 0.65 0.08 3.54 0.52 -0.50 -1.36 118.95 123.12 2aff s ARG 6 Ca 0.23 -0.89 0.10 0.00 -0.52 0.00 0.00 55.73 54.64 2aff s ARG 6 Cb -0.15 -0.43 -0.03 0.00 0.52 0.00 0.00 34.95 34.86 2aff s ARG 6 CO 0.09 0.08 -0.25 -0.51 0.02 0.00 0.00 175.30 174.73 2aff s LEU 7 N -1.84 2.33 -0.11 2.53 1.43 -0.87 -1.21 118.68 120.95 2aff s LEU 7 Ca -0.05 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 2aff s LEU 7 Cb -0.08 -1.32 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 2aff s LEU 7 CO 0.00 0.22 -0.21 -0.69 0.23 0.00 0.00 176.35 175.90 2aff s VAL 8 N -0.94 2.30 -0.39 -1.59 1.01 -0.93 -0.71 120.40 119.14 2aff s VAL 8 Ca 0.13 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 2aff s VAL 8 Cb -0.10 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.39 2aff s VAL 8 CO 0.05 0.55 0.73 -0.89 0.00 0.00 0.00 175.10 175.54 2aff s THR 9 N 0.36 4.76 0.23 3.92 2.01 -0.64 -1.87 115.64 124.41 2aff s THR 9 Ca -0.17 0.59 -0.23 0.00 0.31 0.00 0.00 61.69 62.19 2aff s THR 9 Cb -0.17 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.04 2aff s THR 9 CO 0.08 -0.50 0.80 -0.63 -0.69 0.00 0.00 174.62 173.68 2aff s ILE 10 N 3.02 4.41 0.53 1.82 1.01 -0.37 -1.76 121.20 129.86 2aff s ILE 10 Ca 0.28 1.56 -0.00 0.00 0.00 0.00 0.00 60.65 62.49 2aff s ILE 10 Cb -0.13 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.37 2aff s ILE 10 CO 0.18 0.28 0.76 -0.75 0.00 0.00 0.00 174.94 175.42 2aff s LYS 11 N -1.75 2.73 0.48 2.79 2.20 0.44 -3.92 119.74 122.71 2aff s LYS 11 Ca 0.43 -0.59 0.16 0.00 -0.36 0.00 0.00 55.97 55.60 2aff s LYS 11 Cb -0.19 -2.48 1.16 0.00 -1.51 0.00 0.00 37.83 34.81 2aff s LYS 11 CO 0.23 -0.58 2.07 0.00 -0.36 0.00 0.00 175.35 176.71 2aff h ARG 12 N 0.13 0.19 -0.00 4.03 3.08 -1.89 0.47 114.38 120.39 2aff h ARG 12 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2aff h ARG 12 Cb 1.28 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2aff h ARG 12 CO 0.55 0.12 -0.10 -1.13 -1.07 0.00 0.00 179.97 178.34 2aff n SER 13 N -4.48 0.30 -0.31 7.04 3.41 -1.26 -4.90 113.62 113.41 2aff n SER 13 Ca 0.03 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 2aff n SER 13 Cb 0.24 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.33 0.97 3.33 5.00 0.00 0.16 -5.08 105.19 110.91 2aff n GLY 14 Ca 0.13 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.63 2.52 -0.22 1.61 1.01 -1.25 -4.78 120.40 116.67 2aff s VAL 15 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 2aff s VAL 15 Cb 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2aff s VAL 15 CO 0.00 0.56 1.42 -0.62 0.00 0.00 0.00 175.10 176.46 2aff s ASP 16 N -0.08 6.65 0.00 3.32 -1.08 -1.26 -0.42 116.67 123.80 2aff s ASP 16 Ca -0.04 1.54 0.00 0.00 -0.52 0.00 0.00 52.55 53.53 2aff s ASP 16 Cb -0.14 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2aff s ASP 16 CO 0.04 -1.04 0.00 0.61 0.52 0.00 0.00 175.17 175.30 2aff n GLY 17 N 4.22 1.25 3.78 2.66 0.00 -0.72 -4.99 105.19 111.39 2aff n GLY 17 Ca 0.16 0.00 -0.36 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 3.42 3.94 -0.14 1.61 0.04 -1.26 -4.73 135.00 137.88 2aff s PRO 18 Ca 0.00 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 2aff s PRO 18 Cb 0.00 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 2aff s PRO 18 CO 0.00 -0.34 -0.07 -3.38 0.04 0.00 0.00 177.00 173.25 2aff s HIS 19 N -1.75 2.96 -0.53 0.56 -3.43 -1.26 -1.62 115.29 110.21 2aff s HIS 19 Ca 0.63 -0.36 -0.16 0.00 -0.80 0.00 0.00 55.06 54.37 2aff s HIS 19 Cb -0.21 -1.90 0.12 0.00 -1.43 0.00 0.00 32.58 29.15 2aff s HIS 19 CO 0.26 -0.04 0.50 0.12 -2.00 0.00 0.00 174.74 173.57 2aff s PHE 20 N 0.23 3.23 0.20 0.38 5.36 0.11 -4.92 117.98 122.57 2aff s PHE 20 Ca -0.04 -1.19 -0.30 0.00 -0.96 0.00 0.00 56.93 54.43 2aff s PHE 20 Cb -0.14 -3.70 -0.08 0.00 -0.34 0.00 0.00 43.02 38.76 2aff s PHE 20 CO 0.04 -1.00 1.18 -1.25 -1.46 0.00 0.00 175.22 172.73 2aff s PRO 21 N 1.69 4.51 -1.28 10.12 0.04 -1.26 -2.04 135.00 146.78 2aff s PRO 21 Ca 0.04 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 2aff s PRO 21 Cb -0.28 -3.24 0.13 0.00 0.04 0.00 0.00 34.50 31.15 2aff s PRO 21 CO 0.04 -0.05 1.71 1.28 0.04 0.00 0.00 177.00 180.02 2aff n LEU 22 N 2.35 5.67 0.01 -3.56 4.77 -0.47 -4.64 117.00 121.13 2aff n LEU 22 Ca 0.04 -4.32 0.13 0.00 -0.03 0.00 0.00 56.01 51.83 2aff n LEU 22 Cb 0.45 -1.63 0.51 0.00 -2.33 0.00 0.00 43.42 40.42 2aff n LEU 22 CO 0.55 0.77 0.82 -1.54 -1.33 0.00 0.00 177.39 176.67 2aff n SER 23 N 6.00 0.18 -4.85 -1.43 3.41 -1.26 -4.66 113.62 111.02 2aff n SER 23 Ca 0.42 0.31 -0.33 0.00 -0.26 0.00 0.00 58.87 59.01 2aff n SER 23 Cb 0.42 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 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 -3.10 4.14 0.29 1.04 1.43 -1.26 -4.99 118.68 116.22 2aff s LEU 24 Ca 0.13 0.24 0.23 0.00 -1.03 0.00 0.00 54.13 53.70 2aff s LEU 24 Cb 0.18 -2.46 1.06 0.00 0.03 0.00 0.00 46.19 45.00 2aff s LEU 24 CO 0.58 0.26 1.70 -1.20 0.23 0.00 0.00 176.35 177.92 2aff n SER 25 N 1.02 0.64 -3.93 2.29 7.64 -1.26 -4.63 113.62 115.38 2aff n SER 25 Ca -0.12 0.71 -0.17 0.00 1.01 0.00 0.00 58.87 60.30 2aff n SER 25 Cb 0.53 -0.82 -0.15 0.00 -1.01 0.00 0.00 64.21 62.75 2aff n SER 25 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2aff s THR 26 N -3.41 0.45 -0.16 0.44 2.01 -1.26 -1.23 115.64 112.47 2aff s THR 26 Ca 0.02 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2aff s THR 26 Cb 0.08 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 72.21 2aff s THR 26 CO 0.32 0.15 -0.10 0.00 -0.69 0.00 0.00 174.62 174.31 2aff s LEU 28 N 1.52 2.76 -0.05 0.00 2.96 -1.26 -0.71 118.68 123.90 2aff s LEU 28 Ca 0.02 -0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2aff s LEU 28 Cb -0.14 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2aff s LEU 28 CO -0.09 0.13 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.71 2aff s PHE 29 N 0.58 3.12 -5.00 5.38 0.40 0.15 0.03 117.98 122.64 2aff s PHE 29 Ca -0.07 0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 2aff s PHE 29 Cb -0.15 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.64 2aff s PHE 29 CO 0.03 0.46 0.00 0.41 0.70 0.00 0.00 175.22 176.82 2aff n GLY 30 N 1.86 -0.78 0.15 4.36 0.00 -0.78 -2.35 105.19 107.65 2aff n GLY 30 Ca -0.17 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 3.26 0.23 -6.49 1.61 3.08 -1.43 -2.96 114.38 111.68 2aff h ARG 31 Ca 0.00 -0.19 -0.60 0.00 0.07 0.00 0.00 59.98 59.26 2aff h ARG 31 Cb 0.00 0.04 0.12 0.00 0.08 0.00 0.00 29.97 30.21 2aff h ARG 31 CO 0.00 0.85 0.06 0.41 -1.07 0.00 0.00 179.97 180.22 2aff n GLY 32 N 0.51 -0.42 0.24 0.04 0.00 -0.97 -4.82 105.19 99.77 2aff n GLY 32 Ca -0.03 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 1.21 0.00 -0.61 1.08 -1.90 -1.29 117.51 117.71 2aff h ILE 33 Ca -0.41 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 2aff h ILE 33 Cb 1.35 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 2aff h ILE 33 CO 0.58 0.25 0.30 -0.08 -0.69 0.00 0.00 178.15 178.51 2aff h GLU 34 N 0.69 0.00 -6.62 2.37 4.81 -1.96 -3.41 114.58 110.46 2aff h GLU 34 Ca 0.17 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.88 2aff h GLU 34 Cb 0.19 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.62 2aff h GLU 34 CO -0.01 0.00 0.99 0.00 -0.73 0.00 0.00 179.01 179.25 2aff h ASP 36 N 7.06 0.04 -3.15 0.00 3.32 -0.64 -3.38 116.42 119.68 2aff h ASP 36 Ca -0.43 -0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.05 2aff h ASP 36 Cb 1.20 -0.01 -0.36 0.00 0.22 0.00 0.00 39.33 40.38 2aff h ASP 36 CO 0.94 0.07 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.08 2aff s ILE 37 N -5.02 1.31 -0.17 0.35 1.01 0.20 -4.94 121.20 113.94 2aff s ILE 37 Ca -0.05 -0.47 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 2aff s ILE 37 Cb 0.17 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 2aff s ILE 37 CO 0.68 0.41 0.14 -0.13 0.00 0.00 0.00 174.94 176.04 2aff s ARG 38 N 1.59 3.91 -0.12 2.79 0.52 -1.26 -1.87 118.95 124.52 2aff s ARG 38 Ca 0.05 -0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 2aff s ARG 38 Cb -0.13 -3.33 -0.00 0.00 0.52 0.00 0.00 34.95 32.01 2aff s ARG 38 CO -0.10 0.48 -0.21 0.42 0.02 0.00 0.00 175.30 175.92 2aff s ILE 39 N -0.16 2.32 -0.31 1.52 1.01 -1.12 -4.95 121.20 119.51 2aff s ILE 39 Ca 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2aff s ILE 39 Cb -0.11 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.43 2aff s ILE 39 CO 0.00 0.55 0.70 0.00 0.00 0.00 0.00 174.94 176.19 2aff n GLN 40 N 3.65 0.83 -3.41 2.79 6.02 -1.26 -4.47 117.38 121.54 2aff n GLN 40 Ca -0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.42 2aff n GLN 40 Cb 0.53 -1.19 -0.08 0.00 1.02 0.00 0.00 30.24 30.52 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 4.14 0.04 1.08 1.43 -1.26 -4.95 118.68 119.16 2aff s LEU 41 Ca 0.00 0.47 0.18 0.00 -1.03 0.00 0.00 54.13 53.75 2aff s LEU 41 Cb 0.00 -2.48 0.78 0.00 0.03 0.00 0.00 46.19 44.52 2aff s LEU 41 CO 0.00 -0.08 1.58 -0.81 0.23 0.00 0.00 176.35 177.28 2aff n PRO 42 N 4.54 0.04 -0.32 1.29 -0.04 -1.26 -2.33 135.00 136.92 2aff n PRO 42 Ca -0.09 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 2aff n PRO 42 Cb 0.51 -1.56 0.29 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.63 0.89 -3.69 0.52 0.24 -1.26 -4.91 118.33 108.49 2aff n VAL 43 Ca 0.04 -0.94 -0.37 0.00 -2.04 0.00 0.00 64.34 61.03 2aff n VAL 43 Cb 0.21 0.61 -0.07 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.10 5.33 1.01 3.34 1.01 -0.98 -4.91 120.40 124.10 2aff s VAL 44 Ca 0.45 0.44 -0.13 0.00 0.00 0.00 0.00 61.98 62.75 2aff s VAL 44 Cb 0.24 -3.54 0.20 0.00 0.00 0.00 0.00 36.38 33.28 2aff s VAL 44 CO 0.32 0.53 1.10 -0.44 0.00 0.00 0.00 175.10 176.61 2aff s SER 45 N -0.50 2.53 0.20 3.32 0.01 -1.26 -4.56 113.70 113.45 2aff s SER 45 Ca 0.17 1.10 -0.09 0.00 1.31 0.00 0.00 55.95 58.43 2aff s SER 45 Cb -0.13 -1.73 0.14 0.00 0.21 0.00 0.00 66.02 64.51 2aff s SER 45 CO 0.05 -3.18 1.80 0.11 0.41 0.00 0.00 173.24 172.43 2aff h LYS 46 N -1.93 1.07 0.00 12.44 1.57 -1.94 -2.26 116.57 125.51 2aff h LYS 46 Ca -0.54 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.07 2aff h LYS 46 Cb 1.33 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 2aff h LYS 46 CO 0.57 0.83 -1.47 1.04 -0.57 0.00 0.00 179.45 179.85 2aff n GLN 47 N -4.41 0.51 0.00 3.15 1.13 -1.26 -2.28 117.38 114.22 2aff n GLN 47 Ca 0.06 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 2aff n GLN 47 Cb 0.13 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.24 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 -1.89 0.00 -4.34 1.08 -0.00 -1.18 -4.00 115.22 104.89 2aff n HIS 48 Ca -0.03 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.96 2aff n HIS 48 Cb 0.31 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.03 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 0.03 1.37 -0.04 0.00 2.20 -0.65 0.33 119.74 122.98 2aff s LYS 50 Ca -0.00 -0.45 0.06 0.00 -0.36 0.00 0.00 55.97 55.22 2aff s LYS 50 Cb -0.06 -1.23 -0.01 0.00 -1.51 0.00 0.00 37.83 35.02 2aff s LYS 50 CO -0.00 0.17 -0.24 0.42 -0.36 0.00 0.00 175.35 175.34 2aff s ILE 51 N 0.14 1.92 -0.16 5.43 1.01 0.11 0.93 121.20 130.58 2aff s ILE 51 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.61 2aff s ILE 51 Cb -0.10 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2aff s ILE 51 CO 0.01 0.54 -0.16 -1.61 0.00 0.00 0.00 174.94 173.72 2aff s GLU 52 N -0.28 3.17 -0.32 2.79 2.02 0.11 -2.10 118.70 124.10 2aff s GLU 52 Ca 0.01 -0.76 -0.11 0.00 0.02 0.00 0.00 54.97 54.13 2aff s GLU 52 Cb -0.12 -2.63 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 2aff s GLU 52 CO 0.02 -0.05 0.19 0.42 0.02 0.00 0.00 175.26 175.86 2aff s ILE 53 N 0.96 4.91 0.04 -1.63 1.01 -0.36 -0.94 121.20 125.19 2aff s ILE 53 Ca -0.03 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.42 2aff s ILE 53 Cb -0.15 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 2aff s ILE 53 CO -0.03 0.06 -0.21 -1.00 0.00 0.00 0.00 174.94 173.76 2aff s HIS 54 N 1.67 2.47 0.55 3.97 3.76 0.65 -4.89 115.29 123.46 2aff s HIS 54 Ca 0.05 -0.32 0.45 0.00 -0.15 0.00 0.00 55.06 55.09 2aff s HIS 54 Cb -0.17 -1.44 1.54 0.00 1.11 0.00 0.00 32.58 33.62 2aff s HIS 54 CO 0.08 0.20 1.46 -1.91 -0.85 0.00 0.00 174.74 173.72 2aff n GLU 55 N 1.68 0.00 0.05 1.40 2.13 -1.26 0.13 120.64 124.77 2aff n GLU 55 Ca -0.16 1.03 -0.02 0.00 0.66 0.00 0.00 57.16 58.67 2aff n GLU 55 Cb 0.52 -2.42 -0.01 0.00 0.27 0.00 0.00 31.44 29.80 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2aff h GLN 56 N 0.00 -0.13 0.00 5.31 4.20 -2.00 -3.49 115.11 119.00 2aff h GLN 56 Ca 0.84 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.55 2aff h GLN 56 Cb 3.52 0.03 0.00 0.00 0.30 0.00 0.00 27.48 31.33 2aff h GLN 56 CO -0.01 -0.08 0.00 -1.91 -0.67 0.00 0.00 178.83 176.16 2aff n GLU 57 N -2.48 0.00 -4.98 1.46 4.07 0.12 -5.16 120.64 113.68 2aff n GLU 57 Ca -0.02 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.76 2aff n GLU 57 Cb 0.05 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.27 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 -1.12 2.31 -0.11 4.31 0.00 -1.26 -0.25 121.76 125.63 2aff s ALA 58 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2aff s ALA 58 Cb 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 2aff s ALA 58 CO 0.00 0.20 -0.21 0.42 0.00 0.00 0.00 175.76 176.17 2aff s ILE 59 N 0.46 2.33 -0.16 0.00 1.01 -0.12 0.33 121.20 125.06 2aff s ILE 59 Ca -0.14 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 2aff s ILE 59 Cb -0.17 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2aff s ILE 59 CO 0.06 0.55 0.33 -0.22 0.00 0.00 0.00 174.94 175.66 2aff s LEU 60 N 0.41 4.23 -0.09 2.97 2.96 -0.41 -0.71 118.68 128.04 2aff s LEU 60 Ca -0.15 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2aff s LEU 60 Cb -0.17 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 2aff s LEU 60 CO 0.07 0.05 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.01 2aff s HIS 61 N 0.64 2.75 -0.48 5.38 3.76 0.26 -2.29 115.29 125.33 2aff s HIS 61 Ca 0.18 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 54.50 2aff s HIS 61 Cb -0.14 -1.74 0.06 0.00 1.11 0.00 0.00 32.58 31.88 2aff s HIS 61 CO 0.05 -0.03 0.47 1.21 -0.85 0.00 0.00 174.74 175.60 2aff s ASN 62 N -0.16 6.17 0.00 1.40 3.84 -1.26 -1.63 114.94 123.30 2aff s ASN 62 Ca -0.01 -1.13 0.22 0.00 0.21 0.00 0.00 52.86 52.16 2aff s ASN 62 Cb -0.13 -2.22 -0.04 0.00 -0.55 0.00 0.00 41.25 38.31 2aff s ASN 62 CO 0.03 -0.72 1.04 0.49 -2.79 0.00 0.00 177.10 175.16 2aff n PHE 63 N 5.55 0.00 -2.59 0.43 3.01 -0.75 -4.82 117.46 118.29 2aff n PHE 63 Ca -0.10 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.95 2aff n PHE 63 Cb 0.45 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.85 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 -2.86 6.19 0.03 4.37 0.15 -0.65 -4.66 113.70 116.28 2aff s SER 64 Ca 0.12 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.20 2aff s SER 64 Cb 0.17 -2.54 -0.25 0.00 -1.71 0.00 0.00 66.02 61.69 2aff s SER 64 CO 0.76 -1.76 0.96 -1.28 1.20 0.00 0.00 173.24 173.12 2aff h SER 65 N 9.95 0.19 -0.24 5.45 0.87 -1.91 -2.97 113.55 124.89 2aff h SER 65 Ca -0.24 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2aff h SER 65 Cb 1.05 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2aff h SER 65 CO 1.28 1.21 0.13 0.74 -0.53 0.00 0.00 176.83 179.66 2aff h THR 66 N 0.03 1.10 -2.59 2.23 2.02 -1.99 -3.40 112.91 110.31 2aff h THR 66 Ca -0.17 -0.27 -0.35 0.00 0.77 0.00 0.00 66.41 66.38 2aff h THR 66 Cb 1.94 0.86 -0.37 0.00 -1.74 0.00 0.00 68.15 68.84 2aff h THR 66 CO 0.14 0.10 -0.66 0.20 0.37 0.00 0.00 175.52 175.67 2aff s ASN 67 N -5.50 1.69 0.62 4.18 0.01 -1.25 -5.15 114.94 109.53 2aff s ASN 67 Ca -0.13 -0.39 -0.17 0.00 -0.71 0.00 0.00 52.86 51.46 2aff s ASN 67 Cb 0.08 0.25 -0.02 0.00 0.41 0.00 0.00 41.25 41.97 2aff s ASN 67 CO 0.70 -0.34 1.14 -2.16 -1.51 0.00 0.00 177.10 174.93 2aff s PRO 68 N 2.29 2.95 0.28 -0.60 0.04 -1.12 -4.65 135.00 134.20 2aff s PRO 68 Ca 0.06 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 2aff s PRO 68 Cb -0.16 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 2aff s PRO 68 CO -0.15 -1.16 1.21 0.99 0.04 0.00 0.00 177.00 177.94 2aff s THR 69 N -2.03 3.15 -0.11 1.26 2.01 -1.26 -4.76 115.64 113.90 2aff s THR 69 Ca 0.71 1.11 -0.05 0.00 0.31 0.00 0.00 61.69 63.76 2aff s THR 69 Cb -0.24 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2aff s THR 69 CO 0.36 0.25 0.11 -1.10 -0.69 0.00 0.00 174.62 173.54 2aff s GLN 70 N -1.34 3.32 -0.02 4.92 -0.21 -0.99 -1.61 119.66 123.73 2aff s GLN 70 Ca 0.48 -0.21 0.02 0.00 0.02 0.00 0.00 55.36 55.67 2aff s GLN 70 Cb -0.36 -3.08 0.01 0.00 1.00 0.00 0.00 33.01 30.57 2aff s GLN 70 CO 0.45 0.76 -0.06 0.08 -2.12 0.00 0.00 175.29 174.40 2aff s VAL 71 N -1.01 0.51 -1.49 1.09 1.01 0.25 0.12 120.40 120.88 2aff s VAL 71 Ca 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 2aff s VAL 71 Cb -0.12 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.81 2aff s VAL 71 CO 0.04 0.17 0.39 0.59 0.00 0.00 0.00 175.10 176.29 2aff n ASN 72 N 3.33 -5.37 -1.14 3.32 3.02 -0.77 -1.11 115.26 116.53 2aff n ASN 72 Ca -0.18 -0.19 -0.10 0.00 -0.03 0.00 0.00 54.58 54.09 2aff n ASN 72 Cb 0.55 -4.40 -0.00 0.00 -0.61 0.00 0.00 39.78 35.32 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 -1.27 -0.00 3.19 7.41 0.00 -1.26 -5.03 105.19 108.23 2aff n GLY 73 Ca -0.13 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.61 -0.19 0.45 1.61 0.01 -0.27 -5.13 113.70 107.57 2aff s SER 74 Ca 0.02 0.21 -0.22 0.00 1.31 0.00 0.00 55.95 57.27 2aff s SER 74 Cb -0.01 0.40 -0.08 0.00 0.21 0.00 0.00 66.02 66.54 2aff s SER 74 CO 0.02 -0.31 1.09 0.68 0.41 0.00 0.00 173.24 175.14 2aff s VAL 75 N -0.81 3.47 -0.39 3.43 -7.23 -1.26 0.85 120.40 118.47 2aff s VAL 75 Ca -0.09 1.05 -0.09 0.00 -1.81 0.00 0.00 61.98 61.05 2aff s VAL 75 Cb -0.05 -3.51 0.06 0.00 0.56 0.00 0.00 36.38 33.45 2aff s VAL 75 CO 0.02 -0.07 0.20 -0.63 -0.31 0.00 0.00 175.10 174.32 2aff s ILE 76 N -1.70 4.15 0.15 -0.62 1.01 -0.63 -4.84 121.20 118.71 2aff s ILE 76 Ca 0.63 -1.23 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 2aff s ILE 76 Cb -0.23 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.80 2aff s ILE 76 CO 0.28 -0.37 1.60 0.44 0.00 0.00 0.00 174.94 176.90 2aff h ASP 77 N 8.35 0.83 -4.27 3.58 3.32 -1.95 -3.42 116.42 122.85 2aff h ASP 77 Ca -0.23 -0.30 -0.39 0.00 0.02 0.00 0.00 57.03 56.12 2aff h ASP 77 Cb 1.09 -0.22 -0.10 0.00 0.22 0.00 0.00 39.33 40.32 2aff h ASP 77 CO 0.69 0.93 -0.36 -0.62 -1.72 0.00 0.00 179.24 178.16 2aff n GLU 78 N -4.35 0.43 -1.73 3.56 1.02 -1.26 -5.02 120.64 113.30 2aff n GLU 78 Ca 0.01 -2.64 -0.39 0.00 -0.02 0.00 0.00 57.16 54.12 2aff n GLU 78 Cb 0.30 1.90 0.03 0.00 -0.02 0.00 0.00 31.44 33.66 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 -0.57 1.76 -3.85 3.49 -0.02 -1.26 -4.80 135.00 129.75 2aff n PRO 79 Ca 0.02 0.64 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2aff n PRO 79 Cb 0.47 -2.51 -0.12 0.00 -0.02 0.00 0.00 33.50 31.33 2aff n PRO 79 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2aff s VAL 80 N -1.27 0.03 0.12 -1.45 -7.23 -0.97 -5.02 120.40 104.61 2aff s VAL 80 Ca 0.68 -0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 60.32 2aff s VAL 80 Cb -0.44 -0.26 -0.06 0.00 0.56 0.00 0.00 36.38 36.18 2aff s VAL 80 CO 0.52 -0.12 1.09 -0.60 -0.31 0.00 0.00 175.10 175.68 2aff s ARG 81 N -0.38 4.56 0.27 4.82 3.52 -1.26 -1.29 118.95 129.19 2aff s ARG 81 Ca -0.05 1.66 -0.24 0.00 -0.13 0.00 0.00 55.73 56.98 2aff s ARG 81 Cb -0.03 -3.33 -0.09 0.00 -1.56 0.00 0.00 34.95 29.94 2aff s ARG 81 CO 0.00 -0.00 0.85 -0.51 -0.81 0.00 0.00 175.30 174.83 2aff s LEU 82 N 0.18 4.38 0.07 -0.88 1.43 0.15 -4.91 118.68 119.10 2aff s LEU 82 Ca 0.52 1.68 0.04 0.00 -1.03 0.00 0.00 54.13 55.33 2aff s LEU 82 Cb -0.28 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 2aff s LEU 82 CO 0.32 0.00 -0.11 -0.54 0.23 0.00 0.00 176.35 176.25 2aff s LYS 83 N -1.91 0.76 -0.11 1.70 -0.14 -1.26 -4.46 119.74 114.31 2aff s LYS 83 Ca 0.46 -0.97 -0.33 0.00 -1.36 0.00 0.00 55.97 53.77 2aff s LYS 83 Cb -0.19 -0.60 -0.10 0.00 -1.68 0.00 0.00 37.83 35.26 2aff s LYS 83 CO 0.23 0.12 1.98 1.58 -0.76 0.00 0.00 175.35 178.50 2aff n HIS 84 N 1.10 2.25 0.00 3.18 -0.00 -1.26 -0.92 115.22 119.57 2aff n HIS 84 Ca -0.20 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 57.91 2aff n HIS 84 Cb 0.55 -2.69 0.00 0.00 -0.12 0.00 0.00 29.99 27.73 2aff n HIS 84 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2aff n GLY 85 N 4.82 2.49 3.74 1.57 0.00 -0.83 -4.99 105.19 111.99 2aff n GLY 85 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.64 6.90 -0.13 1.61 1.01 -0.10 -4.82 116.67 119.51 2aff s ASP 86 Ca 0.00 2.42 -0.02 0.00 0.71 0.00 0.00 52.55 55.66 2aff s ASP 86 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.51 -0.06 -0.69 0.21 0.00 0.00 175.17 174.12 2aff s VAL 87 N -0.04 3.72 -0.19 -1.27 1.01 -1.26 -1.53 120.40 120.84 2aff s VAL 87 Ca 0.55 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 2aff s VAL 87 Cb -0.36 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 2aff s VAL 87 CO 0.39 0.53 0.11 -0.63 0.00 0.00 0.00 175.10 175.50 2aff s ILE 88 N 0.03 5.22 -0.13 2.22 1.01 -0.03 -1.85 121.20 127.67 2aff s ILE 88 Ca -0.01 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.80 2aff s ILE 88 Cb -0.14 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.97 2aff s ILE 88 CO 0.03 0.45 -0.22 -0.89 0.00 0.00 0.00 174.94 174.31 2aff s THR 89 N 0.33 2.05 -0.13 2.92 2.01 0.33 0.60 115.64 123.76 2aff s THR 89 Ca 0.07 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2aff s THR 89 Cb -0.11 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 2aff s THR 89 CO -0.01 0.55 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.70 2aff s ILE 90 N 0.68 2.93 -0.15 1.82 1.01 1.02 -2.34 121.20 126.18 2aff s ILE 90 Ca -0.10 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 2aff s ILE 90 Cb -0.16 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2aff s ILE 90 CO 0.01 0.53 0.38 -0.38 0.00 0.00 0.00 174.94 175.48 2aff n ILE 91 N 3.53 0.00 0.00 2.92 5.41 -1.26 0.37 119.36 130.33 2aff n ILE 91 Ca -0.18 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.54 2aff n ILE 91 Cb 0.53 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 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 1.29 0.00 -4.21 4.38 8.00 -1.26 -5.01 116.55 119.74 2aff n ASP 92 Ca 0.10 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.36 2aff n ASP 92 Cb 0.01 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 -0.18 1.35 0.04 -1.24 1.81 1.17 -3.88 118.95 118.02 2aff s ARG 93 Ca 0.00 -0.81 0.00 0.00 -1.72 0.00 0.00 55.73 53.21 2aff s ARG 93 Cb 0.00 -1.39 -0.03 0.00 -0.45 0.00 0.00 34.95 33.08 2aff s ARG 93 CO 0.00 0.36 -0.04 -1.54 -0.68 0.00 0.00 175.30 173.40 2aff s SER 94 N -0.90 0.53 -0.08 0.23 1.04 -1.25 0.34 113.70 113.61 2aff s SER 94 Ca 0.06 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.78 2aff s SER 94 Cb -0.08 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.18 2aff s SER 94 CO 0.01 -0.40 -0.11 -0.36 0.98 0.00 0.00 173.24 173.36 2aff s PHE 95 N -2.48 1.45 -0.02 5.02 0.40 0.20 -1.23 117.98 121.31 2aff s PHE 95 Ca -0.04 -0.60 -0.18 0.00 -0.60 0.00 0.00 56.93 55.51 2aff s PHE 95 Cb -0.02 -1.11 -0.05 0.00 0.51 0.00 0.00 43.02 42.34 2aff s PHE 95 CO -0.04 -0.35 0.51 0.50 0.70 0.00 0.00 175.22 176.54 2aff s ARG 96 N 1.00 4.20 -0.24 0.44 3.52 -0.78 -0.85 118.95 126.24 2aff s ARG 96 Ca -0.08 0.57 -0.18 0.00 -0.13 0.00 0.00 55.73 55.91 2aff s ARG 96 Cb -0.15 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 2aff s ARG 96 CO -0.00 0.44 0.51 -0.47 -0.81 0.00 0.00 175.30 174.96 2aff s TYR 97 N -0.34 3.30 -0.14 5.12 5.04 -0.58 -2.20 117.35 127.55 2aff s TYR 97 Ca 0.27 0.66 0.02 0.00 -2.44 0.00 0.00 57.07 55.58 2aff s TYR 97 Cb -0.17 -2.69 0.01 0.00 0.35 0.00 0.00 41.96 39.46 2aff s TYR 97 CO 0.15 -0.22 -0.19 -1.21 -1.34 0.00 0.00 175.55 172.73 2aff s GLU 98 N 2.08 2.76 -0.27 4.97 2.02 -0.35 -1.96 118.70 127.95 2aff s GLU 98 Ca 0.22 -0.75 -0.08 0.00 0.02 0.00 0.00 54.97 54.37 2aff s GLU 98 Cb -0.16 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 2aff s GLU 98 CO 0.09 -0.09 0.10 1.21 0.02 0.00 0.00 175.26 176.59 2aff s ASN 99 N 1.03 5.33 0.00 -0.19 3.84 -1.26 -1.41 114.94 122.28 2aff s ASN 99 Ca -0.03 -0.32 0.01 0.00 0.21 0.00 0.00 52.86 52.73 2aff s ASN 99 Cb -0.15 -1.96 0.07 0.00 -0.55 0.00 0.00 41.25 38.67 2aff s ASN 99 CO -0.05 -0.10 0.56 1.21 -2.79 0.00 0.00 177.10 175.94