#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 0.49 -3.20 3.45 -1.04 -1.26 -4.99 114.28 107.73 2aff n THR 4 Ca 0.00 0.23 -0.39 0.00 -2.04 0.00 0.00 64.05 61.86 2aff n THR 4 Cb 0.00 -1.45 -0.05 0.00 -1.82 0.00 0.00 70.33 67.01 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 -1.50 4.37 0.01 -2.82 0.52 -1.26 -2.09 118.95 116.18 2aff s ARG 5 Ca -0.04 0.63 0.05 0.00 -0.52 0.00 0.00 55.73 55.85 2aff s ARG 5 Cb 0.01 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 2aff s ARG 5 CO 0.06 0.10 -0.15 1.03 0.02 0.00 0.00 175.30 176.36 2aff s ARG 6 N 0.76 1.17 -0.12 3.54 0.52 -0.09 -1.91 118.95 122.81 2aff s ARG 6 Ca 0.31 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 2aff s ARG 6 Cb -0.16 -1.16 -0.01 0.00 0.52 0.00 0.00 34.95 34.13 2aff s ARG 6 CO 0.13 0.31 -0.14 -1.17 0.02 0.00 0.00 175.30 174.46 2aff s LEU 7 N -0.61 2.68 -0.18 2.53 2.96 -0.84 -1.56 118.68 123.67 2aff s LEU 7 Ca 0.05 -0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 2aff s LEU 7 Cb -0.07 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2aff s LEU 7 CO 0.00 0.17 0.02 -0.69 -1.32 0.00 0.00 176.35 174.54 2aff s VAL 8 N 0.30 4.39 0.22 1.68 1.01 -0.70 0.36 120.40 127.67 2aff s VAL 8 Ca -0.10 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 2aff s VAL 8 Cb -0.16 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 2aff s VAL 8 CO 0.06 0.47 0.87 0.42 0.00 0.00 0.00 175.10 176.91 2aff s THR 9 N 0.45 4.23 -0.09 3.92 -4.23 -0.72 -1.50 115.64 117.70 2aff s THR 9 Ca 0.00 1.87 -0.00 0.00 -1.18 0.00 0.00 61.69 62.38 2aff s THR 9 Cb -0.13 -4.19 -0.03 0.00 1.34 0.00 0.00 72.50 69.49 2aff s THR 9 CO 0.02 0.45 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.84 2aff s ILE 10 N -1.24 3.61 0.47 2.99 1.01 -0.64 -1.63 121.20 125.77 2aff s ILE 10 Ca 0.40 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 2aff s ILE 10 Cb -0.23 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2aff s ILE 10 CO 0.28 0.56 0.76 -0.54 0.00 0.00 0.00 174.94 176.01 2aff s LYS 11 N -0.39 3.53 0.53 2.79 1.02 0.90 -4.24 119.74 123.88 2aff s LYS 11 Ca 0.05 0.14 0.20 0.00 0.02 0.00 0.00 55.97 56.39 2aff s LYS 11 Cb -0.12 -2.40 1.36 0.00 -0.52 0.00 0.00 37.83 36.15 2aff s LYS 11 CO 0.02 -0.18 2.11 0.00 -0.92 0.00 0.00 175.35 176.39 2aff h ARG 12 N 0.27 0.00 -0.00 1.68 3.08 -1.88 0.20 114.38 117.72 2aff h ARG 12 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 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 0.62 0.00 -0.05 -1.13 -1.07 0.00 0.00 179.97 178.34 2aff n SER 13 N -4.41 0.10 -0.11 7.04 3.41 -1.26 -4.89 113.62 113.49 2aff n SER 13 Ca 0.01 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2aff n SER 13 Cb 0.24 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.37 1.14 3.27 5.00 0.00 0.70 -5.09 105.19 111.58 2aff n GLY 14 Ca 0.11 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 2.22 0.16 1.61 1.01 -1.24 -4.85 120.40 117.08 2aff s VAL 15 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2aff s VAL 15 Cb 0.00 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.47 2aff s VAL 15 CO 0.00 0.56 1.04 -1.81 0.00 0.00 0.00 175.10 174.89 2aff s ASP 16 N 0.10 7.37 0.00 3.32 1.01 -1.26 -0.07 116.67 127.14 2aff s ASP 16 Ca -0.11 1.97 0.00 0.00 0.71 0.00 0.00 52.55 55.12 2aff s ASP 16 Cb -0.16 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.06 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 175.91 2aff n GLY 17 N 2.10 2.41 3.78 0.21 0.00 -0.65 -4.95 105.19 108.09 2aff n GLY 17 Ca 0.02 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 2.40 4.00 -0.16 1.61 0.04 -1.26 -4.73 135.00 136.90 2aff s PRO 18 Ca 0.00 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.68 2aff s PRO 18 Cb 0.00 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2aff s PRO 18 CO 0.00 -0.33 -0.03 -3.38 0.04 0.00 0.00 177.00 173.30 2aff s HIS 19 N -1.56 3.04 -0.56 0.56 -3.43 -1.26 -1.75 115.29 110.32 2aff s HIS 19 Ca 0.60 -0.29 -0.17 0.00 -0.80 0.00 0.00 55.06 54.39 2aff s HIS 19 Cb -0.26 -1.97 0.12 0.00 -1.43 0.00 0.00 32.58 29.04 2aff s HIS 19 CO 0.32 -0.04 0.56 0.12 -2.00 0.00 0.00 174.74 173.70 2aff s PHE 20 N 0.41 3.19 0.16 0.38 5.36 0.16 -4.91 117.98 122.73 2aff s PHE 20 Ca -0.03 -1.22 -0.30 0.00 -0.96 0.00 0.00 56.93 54.42 2aff s PHE 20 Cb -0.14 -3.86 -0.07 0.00 -0.34 0.00 0.00 43.02 38.61 2aff s PHE 20 CO 0.03 -1.09 1.17 -1.25 -1.46 0.00 0.00 175.22 172.62 2aff s PRO 21 N 1.86 4.51 -0.29 10.12 0.04 -1.26 -1.98 135.00 148.00 2aff s PRO 21 Ca 0.05 1.81 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 2aff s PRO 21 Cb -0.28 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 2aff s PRO 21 CO 0.04 -0.07 0.46 -0.51 0.04 0.00 0.00 177.00 176.95 2aff s LEU 22 N -0.05 4.14 0.00 -3.56 1.43 -0.80 -4.84 118.68 114.99 2aff s LEU 22 Ca 0.53 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 2aff s LEU 22 Cb -0.31 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.37 2aff s LEU 22 CO 0.35 -0.30 0.21 -1.54 0.23 0.00 0.00 176.35 175.30 2aff n SER 23 N 5.51 0.42 -4.80 2.29 3.41 -1.26 -4.42 113.62 114.77 2aff n SER 23 Ca -0.06 -0.73 -0.31 0.00 -0.26 0.00 0.00 58.87 57.51 2aff n SER 23 Cb 0.50 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.65 3.90 0.55 1.04 1.43 -1.26 -5.01 118.68 118.68 2aff s LEU 24 Ca 0.00 0.07 0.32 0.00 -1.03 0.00 0.00 54.13 53.49 2aff s LEU 24 Cb 0.00 -2.49 1.54 0.00 0.03 0.00 0.00 46.19 45.27 2aff s LEU 24 CO 0.00 0.20 2.07 0.28 0.23 0.00 0.00 176.35 179.13 2aff h SER 25 N 3.49 0.00 -3.42 2.29 0.02 -1.95 -3.42 113.55 110.56 2aff h SER 25 Ca -0.47 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.96 2aff h SER 25 Cb 1.17 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.37 2aff h SER 25 CO 0.66 0.08 -0.82 -0.89 -1.14 0.00 0.00 176.83 174.72 2aff s THR 26 N -3.97 1.18 -0.11 -2.27 2.01 -1.26 -1.53 115.64 109.68 2aff s THR 26 Ca -0.02 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.48 2aff s THR 26 Cb 0.12 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.58 2aff s THR 26 CO 0.55 0.36 -0.10 0.00 -0.69 0.00 0.00 174.62 174.74 2aff s LEU 28 N 1.46 1.81 -0.05 0.00 2.96 -1.26 0.45 118.68 124.05 2aff s LEU 28 Ca 0.01 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.35 2aff s LEU 28 Cb -0.13 -1.19 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 2aff s LEU 28 CO -0.07 0.01 0.25 -0.36 -1.32 0.00 0.00 176.35 174.87 2aff s PHE 29 N 1.05 3.63 -2.83 5.38 0.40 0.18 0.19 117.98 125.99 2aff s PHE 29 Ca -0.04 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 2aff s PHE 29 Cb -0.15 -2.05 0.00 0.00 0.51 0.00 0.00 43.02 41.33 2aff s PHE 29 CO -0.04 0.68 0.00 0.41 0.70 0.00 0.00 175.22 176.97 2aff n GLY 30 N 1.69 -0.88 0.09 4.36 0.00 -0.58 -2.42 105.19 107.46 2aff n GLY 30 Ca -0.16 -0.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 2aff n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2aff n ARG 31 N 0.00 0.67 -1.31 1.61 0.63 -0.70 -2.42 116.66 115.14 2aff n ARG 31 Ca 0.00 0.06 -0.30 0.00 -0.92 0.00 0.00 57.85 56.69 2aff n ARG 31 Cb 0.00 -1.61 0.10 0.00 0.45 0.00 0.00 32.46 31.41 2aff n ARG 31 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2aff s GLY 32 N -5.27 1.65 0.21 5.14 0.00 -1.24 -4.87 107.32 102.93 2aff s GLY 32 Ca -0.08 0.09 -0.07 0.00 0.00 0.00 0.00 44.72 44.66 2aff s GLY 32 CO 0.83 0.49 1.73 1.19 0.00 0.00 0.00 173.10 177.35 2aff h ILE 33 N -1.21 1.26 -0.54 0.90 6.09 -1.94 -2.22 117.51 119.85 2aff h ILE 33 Ca -0.46 -0.96 0.16 0.00 -1.37 0.00 0.00 64.86 62.23 2aff h ILE 33 Cb 1.25 0.55 -0.02 0.00 0.47 0.00 0.00 36.82 39.07 2aff h ILE 33 CO 0.54 0.37 0.45 -0.33 -3.07 0.00 0.00 178.15 176.11 2aff h GLU 34 N 1.04 0.00 -6.25 2.19 4.39 -1.93 -3.40 114.58 110.62 2aff h GLU 34 Ca 0.22 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.36 2aff h GLU 34 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2aff h GLU 34 CO 0.00 0.00 1.22 0.00 -1.16 0.00 0.00 179.01 179.07 2aff h ASP 36 N 11.24 0.00 -3.50 0.00 2.03 0.20 -3.34 116.42 123.04 2aff h ASP 36 Ca -0.41 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.25 2aff h ASP 36 Cb 1.20 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 39.33 2aff h ASP 36 CO 0.96 0.00 -0.81 -0.63 -1.03 0.00 0.00 179.24 177.73 2aff s ILE 37 N -4.71 1.87 -0.12 4.15 -1.09 -0.25 -4.94 121.20 116.11 2aff s ILE 37 Ca -0.05 -1.20 -0.04 0.00 -2.23 0.00 0.00 60.65 57.14 2aff s ILE 37 Cb 0.16 -1.91 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 2aff s ILE 37 CO 0.57 0.16 0.03 -0.13 -1.23 0.00 0.00 174.94 174.34 2aff s ARG 38 N 1.29 3.35 -0.08 2.79 0.52 -1.26 -1.52 118.95 124.04 2aff s ARG 38 Ca -0.03 -0.36 0.05 0.00 -0.52 0.00 0.00 55.73 54.87 2aff s ARG 38 Cb -0.17 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 2aff s ARG 38 CO -0.08 0.57 -0.24 0.42 0.02 0.00 0.00 175.30 175.99 2aff s ILE 39 N -0.49 2.12 -0.06 1.52 1.01 -1.01 -4.98 121.20 119.30 2aff s ILE 39 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2aff s ILE 39 Cb -0.12 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2aff s ILE 39 CO 0.02 0.56 0.55 0.00 0.00 0.00 0.00 174.94 176.07 2aff n GLN 40 N 3.29 0.56 -3.20 2.79 6.02 -1.26 -4.70 117.38 120.88 2aff n GLN 40 Ca -0.18 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.41 2aff n GLN 40 Cb 0.53 -1.22 -0.07 0.00 1.02 0.00 0.00 30.24 30.50 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 4.12 0.00 1.08 1.43 -1.26 -4.93 118.68 119.12 2aff s LEU 41 Ca 0.00 0.68 0.19 0.00 -1.03 0.00 0.00 54.13 53.96 2aff s LEU 41 Cb 0.00 -2.75 0.88 0.00 0.03 0.00 0.00 46.19 44.35 2aff s LEU 41 CO 0.00 -0.24 1.58 -0.81 0.23 0.00 0.00 176.35 177.11 2aff n PRO 42 N 5.09 0.16 -0.24 1.29 -0.04 -1.26 -2.42 135.00 137.59 2aff n PRO 42 Ca -0.03 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 2aff n PRO 42 Cb 0.50 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.37 1.00 -3.45 0.52 0.24 -1.26 -4.98 118.33 109.03 2aff n VAL 43 Ca 0.07 -1.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.00 2aff n VAL 43 Cb 0.18 0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 32.99 2aff n VAL 43 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2aff s VAL 44 N -1.00 4.96 0.74 3.34 0.11 -1.01 -4.97 120.40 122.56 2aff s VAL 44 Ca 0.31 0.84 -0.11 0.00 -2.93 0.00 0.00 61.98 60.09 2aff s VAL 44 Cb 0.16 -3.74 0.04 0.00 -1.53 0.00 0.00 36.38 31.31 2aff s VAL 44 CO 0.21 0.46 1.08 -0.44 -3.33 0.00 0.00 175.10 173.08 2aff s SER 45 N -1.33 4.81 0.24 3.54 0.01 -1.26 -4.49 113.70 115.22 2aff s SER 45 Ca 0.29 1.78 -0.06 0.00 1.31 0.00 0.00 55.95 59.27 2aff s SER 45 Cb -0.16 -2.52 0.23 0.00 0.21 0.00 0.00 66.02 63.78 2aff s SER 45 CO 0.16 -1.83 1.85 0.11 0.41 0.00 0.00 173.24 173.94 2aff h LYS 46 N -0.88 1.22 -0.00 12.44 1.57 -1.93 -1.86 116.57 127.12 2aff h LYS 46 Ca -0.44 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2aff h LYS 46 Cb 1.23 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2aff h LYS 46 CO 0.53 0.91 -0.13 1.04 -0.57 0.00 0.00 179.45 181.24 2aff n GLN 47 N -4.32 5.19 0.00 3.15 6.02 -1.26 -3.72 117.38 122.44 2aff n GLN 47 Ca 0.09 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2aff n GLN 47 Cb 0.12 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 30.68 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 -0.92 0.00 -4.48 1.08 -0.00 -1.19 -3.98 115.22 105.73 2aff n HIS 48 Ca 0.01 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.97 2aff n HIS 48 Cb 0.05 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.76 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 0.27 2.05 -0.09 0.00 2.20 -0.39 0.51 119.74 124.27 2aff s LYS 50 Ca -0.05 -0.57 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 2aff s LYS 50 Cb -0.10 -1.65 -0.01 0.00 -1.51 0.00 0.00 37.83 34.55 2aff s LYS 50 CO 0.01 0.11 -0.17 0.42 -0.36 0.00 0.00 175.35 175.36 2aff s ILE 51 N 0.45 2.73 -0.17 5.43 1.01 0.17 0.45 121.20 131.27 2aff s ILE 51 Ca -0.13 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.73 2aff s ILE 51 Cb -0.15 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.23 2aff s ILE 51 CO 0.05 0.55 -0.18 -1.61 0.00 0.00 0.00 174.94 173.75 2aff s GLU 52 N -0.01 3.07 -0.30 2.79 2.02 -0.09 -1.59 118.70 124.60 2aff s GLU 52 Ca -0.05 -0.81 -0.09 0.00 0.02 0.00 0.00 54.97 54.04 2aff s GLU 52 Cb -0.15 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 2aff s GLU 52 CO 0.05 -0.11 0.13 0.42 0.02 0.00 0.00 175.26 175.77 2aff s ILE 53 N 1.07 4.46 0.03 -1.63 1.01 -0.58 -0.94 121.20 124.61 2aff s ILE 53 Ca -0.01 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.27 2aff s ILE 53 Cb -0.14 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 2aff s ILE 53 CO -0.06 0.11 -0.14 -1.00 0.00 0.00 0.00 174.94 173.84 2aff s HIS 54 N 1.60 2.67 0.50 3.97 3.76 0.10 -4.87 115.29 123.01 2aff s HIS 54 Ca 0.04 -0.19 0.41 0.00 -0.15 0.00 0.00 55.06 55.18 2aff s HIS 54 Cb -0.17 -1.51 1.61 0.00 1.11 0.00 0.00 32.58 33.62 2aff s HIS 54 CO 0.05 0.29 1.56 0.39 -0.85 0.00 0.00 174.74 176.18 2aff n GLU 55 N 1.56 -0.02 0.08 1.40 1.02 -1.26 -0.17 120.64 123.25 2aff n GLU 55 Ca -0.16 1.17 -0.03 0.00 -0.02 0.00 0.00 57.16 58.12 2aff n GLU 55 Cb 0.52 -2.48 -0.01 0.00 -0.02 0.00 0.00 31.44 29.45 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2aff h GLN 56 N 0.00 -0.19 0.00 3.49 4.20 -2.01 -3.49 115.11 117.11 2aff h GLN 56 Ca 0.91 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.63 2aff h GLN 56 Cb 3.29 0.04 0.00 0.00 0.30 0.00 0.00 27.48 31.12 2aff h GLN 56 CO -0.24 -0.13 0.00 -1.91 -0.67 0.00 0.00 178.83 175.88 2aff n GLU 57 N -2.58 0.00 -4.48 1.46 4.07 0.77 -5.16 120.64 114.71 2aff n GLU 57 Ca -0.03 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.74 2aff n GLU 57 Cb 0.08 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.33 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 -1.09 2.92 -0.11 4.31 0.00 -1.26 -0.72 121.76 125.81 2aff s ALA 58 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.16 2aff s ALA 58 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.64 2aff s ALA 58 CO 0.00 0.23 -0.23 0.42 0.00 0.00 0.00 175.76 176.18 2aff s ILE 59 N 0.34 2.16 -0.22 0.00 1.01 -0.12 0.15 121.20 124.51 2aff s ILE 59 Ca -0.05 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 2aff s ILE 59 Cb -0.14 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 2aff s ILE 59 CO 0.04 0.55 0.18 -0.22 0.00 0.00 0.00 174.94 175.49 2aff s LEU 60 N 0.43 4.14 -0.08 2.97 2.96 0.47 -0.91 118.68 128.67 2aff s LEU 60 Ca -0.16 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 2aff s LEU 60 Cb -0.17 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 2aff s LEU 60 CO 0.07 0.08 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.05 2aff s HIS 61 N 0.92 2.79 -0.39 5.38 3.76 0.17 -1.55 115.29 126.37 2aff s HIS 61 Ca 0.09 -0.25 -0.14 0.00 -0.15 0.00 0.00 55.06 54.61 2aff s HIS 61 Cb -0.13 -1.71 0.01 0.00 1.11 0.00 0.00 32.58 31.86 2aff s HIS 61 CO 0.03 0.11 0.27 0.54 -0.85 0.00 0.00 174.74 174.85 2aff s ASN 62 N -0.43 6.04 0.00 1.40 4.22 -1.26 -1.26 114.94 123.64 2aff s ASN 62 Ca 0.05 -0.81 0.19 0.00 -2.14 0.00 0.00 52.86 50.15 2aff s ASN 62 Cb -0.12 -2.14 -0.08 0.00 1.28 0.00 0.00 41.25 40.19 2aff s ASN 62 CO 0.02 -0.39 0.90 0.49 -2.04 0.00 0.00 177.10 176.08 2aff n PHE 63 N 5.13 0.00 -2.47 1.54 3.01 -0.20 -4.88 117.46 119.58 2aff n PHE 63 Ca -0.11 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.94 2aff n PHE 63 Cb 0.47 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 2aff n PHE 63 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2aff s SER 64 N -2.42 6.03 0.18 4.37 0.01 -0.57 -4.58 113.70 116.72 2aff s SER 64 Ca 0.12 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.11 2aff s SER 64 Cb 0.15 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.87 2aff s SER 64 CO 0.60 -1.91 1.41 0.77 0.41 0.00 0.00 173.24 174.52 2aff h SER 65 N 10.77 0.20 -0.05 2.44 4.64 -1.91 -3.13 113.55 126.51 2aff h SER 65 Ca -0.28 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 2aff h SER 65 Cb 1.07 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2aff h SER 65 CO 1.27 0.94 0.01 0.74 -0.87 0.00 0.00 176.83 178.92 2aff h THR 66 N 0.09 1.21 -2.38 2.95 2.02 -2.00 -3.42 112.91 111.39 2aff h THR 66 Ca -0.03 -0.65 -0.35 0.00 0.77 0.00 0.00 66.41 66.15 2aff h THR 66 Cb 1.44 1.55 -0.35 0.00 -1.74 0.00 0.00 68.15 69.05 2aff h THR 66 CO 0.12 0.18 -0.65 0.20 0.37 0.00 0.00 175.52 175.74 2aff s ASN 67 N -5.54 1.82 0.47 4.18 0.01 -1.24 -5.14 114.94 109.50 2aff s ASN 67 Ca -0.14 -0.62 -0.23 0.00 -0.71 0.00 0.00 52.86 51.16 2aff s ASN 67 Cb 0.04 0.34 -0.09 0.00 0.41 0.00 0.00 41.25 41.96 2aff s ASN 67 CO 0.68 -0.37 1.08 -2.65 -1.51 0.00 0.00 177.10 174.33 2aff n PRO 68 N 5.31 1.39 -2.20 -0.60 -0.02 -1.18 -4.73 135.00 132.97 2aff n PRO 68 Ca -0.04 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 2aff n PRO 68 Cb 0.47 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.32 2.96 -0.11 3.45 2.01 -1.26 -4.80 115.64 116.56 2aff s THR 69 Ca 0.66 0.92 -0.08 0.00 0.31 0.00 0.00 61.69 63.50 2aff s THR 69 Cb -0.50 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2aff s THR 69 CO 0.54 0.20 0.17 -1.10 -0.69 0.00 0.00 174.62 173.74 2aff s GLN 70 N -1.35 3.49 -0.03 4.92 -0.21 -0.72 -2.03 119.66 123.73 2aff s GLN 70 Ca 0.50 -0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.82 2aff s GLN 70 Cb -0.38 -3.19 0.01 0.00 1.00 0.00 0.00 33.01 30.45 2aff s GLN 70 CO 0.47 0.77 -0.06 0.08 -2.12 0.00 0.00 175.29 174.44 2aff s VAL 71 N -1.03 0.55 -1.30 1.09 1.01 0.35 0.18 120.40 121.24 2aff s VAL 71 Ca 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2aff s VAL 71 Cb -0.12 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.75 2aff s VAL 71 CO 0.05 0.20 0.21 0.59 0.00 0.00 0.00 175.10 176.15 2aff n ASN 72 N 3.51 -4.54 -0.61 3.32 3.02 -0.75 -0.43 115.26 118.78 2aff n ASN 72 Ca -0.20 -0.05 -0.06 0.00 -0.03 0.00 0.00 54.58 54.24 2aff n ASN 72 Cb 0.54 -3.78 -0.01 0.00 -0.61 0.00 0.00 39.78 35.92 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 -1.04 0.25 3.18 7.41 0.00 -1.26 -5.04 105.19 108.69 2aff n GLY 73 Ca -0.13 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.78 -0.21 0.26 1.61 0.01 0.43 -5.11 113.70 107.91 2aff s SER 74 Ca 0.00 0.29 -0.30 0.00 1.31 0.00 0.00 55.95 57.26 2aff s SER 74 Cb 0.00 0.44 -0.09 0.00 0.21 0.00 0.00 66.02 66.57 2aff s SER 74 CO 0.00 -0.26 1.06 0.68 0.41 0.00 0.00 173.24 175.13 2aff s VAL 75 N -0.58 3.67 -0.47 3.43 -7.23 -1.26 0.13 120.40 118.09 2aff s VAL 75 Ca -0.07 1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 61.65 2aff s VAL 75 Cb -0.04 -4.06 0.11 0.00 0.56 0.00 0.00 36.38 32.95 2aff s VAL 75 CO 0.02 0.38 0.36 0.27 -0.31 0.00 0.00 175.10 175.82 2aff s ILE 76 N -1.07 4.48 0.31 -0.62 -4.36 -0.86 -4.90 121.20 114.18 2aff s ILE 76 Ca 0.44 -1.58 0.03 0.00 -0.26 0.00 0.00 60.65 59.28 2aff s ILE 76 Cb -0.30 -3.86 0.13 0.00 1.25 0.00 0.00 42.46 39.67 2aff s ILE 76 CO 0.38 -0.71 1.82 0.44 0.24 0.00 0.00 174.94 177.11 2aff h ASP 77 N 8.55 0.53 -2.04 4.36 3.32 -1.95 -3.44 116.42 125.74 2aff h ASP 77 Ca -0.24 -0.12 -0.61 0.00 0.02 0.00 0.00 57.03 56.08 2aff h ASP 77 Cb 1.08 -0.14 -0.13 0.00 0.22 0.00 0.00 39.33 40.36 2aff h ASP 77 CO 0.87 0.64 -0.51 -1.61 -1.72 0.00 0.00 179.24 176.91 2aff s GLU 78 N -4.85 2.05 0.53 3.56 2.02 -1.26 -4.93 118.70 115.83 2aff s GLU 78 Ca -0.08 -2.28 -0.22 0.00 0.02 0.00 0.00 54.97 52.42 2aff s GLU 78 Cb 0.15 -0.96 -0.05 0.00 0.10 0.00 0.00 34.13 33.37 2aff s GLU 78 CO 0.78 -0.45 1.29 -2.14 0.02 0.00 0.00 175.26 174.77 2aff s PRO 79 N -3.76 3.24 -0.02 0.39 0.02 -1.26 -4.73 135.00 128.88 2aff s PRO 79 Ca 0.16 2.08 -0.02 0.00 0.02 0.00 0.00 61.00 63.24 2aff s PRO 79 Cb 0.02 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.30 2aff s PRO 79 CO 0.10 -1.06 0.06 0.54 -0.33 0.00 0.00 177.00 176.31 2aff s VAL 80 N -1.39 0.01 0.07 3.83 0.11 -0.60 -4.98 120.40 117.46 2aff s VAL 80 Ca 0.71 -0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 59.37 2aff s VAL 80 Cb -0.36 -0.11 -0.06 0.00 -1.53 0.00 0.00 36.38 34.31 2aff s VAL 80 CO 0.43 -0.04 1.26 -0.13 -3.33 0.00 0.00 175.10 173.28 2aff s ARG 81 N -0.11 4.39 0.04 1.54 0.52 -1.26 -0.39 118.95 123.68 2aff s ARG 81 Ca -0.02 1.86 -0.23 0.00 -0.52 0.00 0.00 55.73 56.83 2aff s ARG 81 Cb -0.01 -3.32 -0.06 0.00 0.52 0.00 0.00 34.95 32.08 2aff s ARG 81 CO 0.00 -0.32 0.68 -0.51 0.02 0.00 0.00 175.30 175.18 2aff s LEU 82 N 1.11 4.46 0.15 2.53 1.43 0.40 -4.90 118.68 123.86 2aff s LEU 82 Ca 0.61 1.35 0.07 0.00 -1.03 0.00 0.00 54.13 55.12 2aff s LEU 82 Cb -0.32 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 2aff s LEU 82 CO 0.29 0.09 -0.17 -0.54 0.23 0.00 0.00 176.35 176.26 2aff s LYS 83 N -0.33 1.17 -0.18 1.70 1.02 -1.26 -4.25 119.74 117.61 2aff s LYS 83 Ca 0.34 -1.34 -0.34 0.00 0.02 0.00 0.00 55.97 54.65 2aff s LYS 83 Cb -0.20 -1.15 -0.11 0.00 -0.52 0.00 0.00 37.83 35.84 2aff s LYS 83 CO 0.21 0.23 1.98 1.58 -0.92 0.00 0.00 175.35 178.43 2aff n HIS 84 N 0.39 2.10 0.00 3.18 -0.00 -1.26 -0.15 115.22 119.48 2aff n HIS 84 Ca -0.14 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 2aff n HIS 84 Cb 0.57 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 27.94 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 5.03 1.72 3.71 1.57 0.00 -0.84 -4.97 105.19 111.41 2aff n GLY 85 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.81 6.82 -0.11 1.61 2.15 0.79 -4.83 116.67 121.30 2aff s ASP 86 Ca 0.00 2.32 -0.02 0.00 0.43 0.00 0.00 52.55 55.28 2aff s ASP 86 Cb 0.00 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 2aff s ASP 86 CO 0.00 -0.66 -0.04 -0.69 -0.17 0.00 0.00 175.17 173.61 2aff s VAL 87 N 1.19 3.89 -0.16 1.11 1.01 -1.26 -2.01 120.40 124.16 2aff s VAL 87 Ca 0.65 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.17 2aff s VAL 87 Cb -0.37 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 2aff s VAL 87 CO 0.30 0.56 0.07 -0.63 0.00 0.00 0.00 175.10 175.39 2aff s ILE 88 N -0.32 4.85 -0.11 2.22 1.01 -0.45 -1.81 121.20 126.60 2aff s ILE 88 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.71 2aff s ILE 88 Cb -0.12 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.19 2aff s ILE 88 CO 0.02 0.50 -0.20 -0.89 0.00 0.00 0.00 174.94 174.37 2aff s THR 89 N 0.06 1.83 -0.15 2.92 2.01 0.46 -0.04 115.64 122.73 2aff s THR 89 Ca 0.06 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2aff s THR 89 Cb -0.12 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.79 2aff s THR 89 CO 0.01 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.62 2aff s ILE 90 N 0.65 1.92 0.00 1.82 1.01 0.85 -1.76 121.20 125.69 2aff s ILE 90 Ca -0.12 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.65 2aff s ILE 90 Cb -0.16 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.58 2aff s ILE 90 CO 0.03 0.52 0.00 -0.38 0.00 0.00 0.00 174.94 175.11 2aff n ILE 91 N 4.34 0.00 0.00 2.92 5.41 -1.26 0.38 119.36 131.15 2aff n ILE 91 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2aff n ILE 91 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2aff n ASP 92 N 0.00 0.00 -4.07 4.38 2.03 -1.26 -4.97 116.55 112.66 2aff n ASP 92 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 2aff n ASP 92 Cb 0.00 -0.07 -0.15 0.00 -0.72 0.00 0.00 41.12 40.18 2aff n ASP 92 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2aff s ARG 93 N 0.00 1.00 0.04 -0.67 6.06 1.21 -4.27 118.95 122.31 2aff s ARG 93 Ca 0.00 -0.42 -0.01 0.00 -2.50 0.00 0.00 55.73 52.80 2aff s ARG 93 Cb 0.00 -0.96 -0.03 0.00 0.06 0.00 0.00 34.95 34.02 2aff s ARG 93 CO 0.00 0.24 -0.03 -1.54 -2.50 0.00 0.00 175.30 171.48 2aff s SER 94 N -0.22 0.41 -0.08 -2.12 1.04 -1.26 0.29 113.70 111.76 2aff s SER 94 Ca 0.04 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.63 2aff s SER 94 Cb -0.05 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.26 2aff s SER 94 CO -0.00 -0.51 -0.09 -0.36 0.98 0.00 0.00 173.24 173.25 2aff s PHE 95 N -3.20 1.34 -0.05 5.02 0.40 0.94 -1.61 117.98 120.82 2aff s PHE 95 Ca 0.00 -0.55 -0.21 0.00 -0.60 0.00 0.00 56.93 55.57 2aff s PHE 95 Cb 0.03 -1.06 -0.05 0.00 0.51 0.00 0.00 43.02 42.45 2aff s PHE 95 CO -0.07 -0.35 0.60 1.03 0.70 0.00 0.00 175.22 177.13 2aff s ARG 96 N 1.12 4.36 -0.22 0.44 0.52 -0.56 -1.34 118.95 123.28 2aff s ARG 96 Ca -0.06 0.72 -0.13 0.00 -0.52 0.00 0.00 55.73 55.73 2aff s ARG 96 Cb -0.14 -3.40 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 2aff s ARG 96 CO -0.01 0.22 0.29 -0.47 0.02 0.00 0.00 175.30 175.34 2aff s TYR 97 N 0.32 3.35 -0.13 -0.53 5.04 -0.85 -1.71 117.35 122.84 2aff s TYR 97 Ca 0.32 0.44 -0.00 0.00 -2.44 0.00 0.00 57.07 55.39 2aff s TYR 97 Cb -0.17 -2.40 0.02 0.00 0.35 0.00 0.00 41.96 39.76 2aff s TYR 97 CO 0.16 0.04 -0.10 -1.21 -1.34 0.00 0.00 175.55 173.09 2aff s GLU 98 N 1.16 1.87 -0.32 4.97 2.02 -0.60 -1.99 118.70 125.81 2aff s GLU 98 Ca 0.14 -0.41 -0.09 0.00 0.02 0.00 0.00 54.97 54.63 2aff s GLU 98 Cb -0.14 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.25 2aff s GLU 98 CO 0.06 -0.26 0.15 1.21 0.02 0.00 0.00 175.26 176.44 2aff s ASN 99 N 1.60 5.52 0.00 -0.19 3.84 -1.26 -0.92 114.94 123.53 2aff s ASN 99 Ca 0.05 -0.66 0.29 0.00 0.21 0.00 0.00 52.86 52.75 2aff s ASN 99 Cb -0.13 -1.99 1.30 0.00 -0.55 0.00 0.00 41.25 39.88 2aff s ASN 99 CO -0.09 -0.23 1.88 1.21 -2.79 0.00 0.00 177.10 177.08