#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 1.32 -3.12 0.52 -2.24 -1.26 -4.92 114.28 104.58 2aff n THR 4 Ca 0.00 -0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.03 2aff n THR 4 Cb 0.00 -1.79 -0.06 0.00 -2.10 0.00 0.00 70.33 66.38 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 -2.44 4.18 -0.02 -0.78 0.52 -1.26 -0.59 118.95 118.55 2aff s ARG 5 Ca -0.34 0.59 0.06 0.00 -0.52 0.00 0.00 55.73 55.52 2aff s ARG 5 Cb 0.13 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.98 2aff s ARG 5 CO 0.43 -0.30 -0.20 1.03 0.02 0.00 0.00 175.30 176.29 2aff s ARG 6 N 2.11 1.64 -0.10 3.54 0.52 -0.15 -1.86 118.95 124.66 2aff s ARG 6 Ca 0.28 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.81 2aff s ARG 6 Cb -0.16 -1.57 -0.01 0.00 0.52 0.00 0.00 34.95 33.73 2aff s ARG 6 CO 0.10 0.41 -0.18 -1.17 0.02 0.00 0.00 175.30 174.48 2aff s LEU 7 N -0.41 2.47 -0.16 2.53 2.96 -0.78 -1.73 118.68 123.56 2aff s LEU 7 Ca 0.06 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2aff s LEU 7 Cb -0.08 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 2aff s LEU 7 CO -0.00 0.21 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.53 2aff s VAL 8 N 0.05 4.04 -0.36 1.68 1.01 -0.99 0.26 120.40 126.09 2aff s VAL 8 Ca -0.07 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 2aff s VAL 8 Cb -0.15 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2aff s VAL 8 CO 0.05 0.49 0.62 0.42 0.00 0.00 0.00 175.10 176.68 2aff s THR 9 N 0.33 4.90 0.26 3.92 -4.23 -0.28 -2.16 115.64 118.37 2aff s THR 9 Ca -0.03 0.51 -0.29 0.00 -1.18 0.00 0.00 61.69 60.70 2aff s THR 9 Cb -0.14 -4.08 -0.09 0.00 1.34 0.00 0.00 72.50 69.53 2aff s THR 9 CO 0.02 -0.33 0.95 -0.63 -0.54 0.00 0.00 174.62 174.09 2aff s ILE 10 N 2.68 4.07 0.44 2.99 1.01 -0.85 -0.49 121.20 131.04 2aff s ILE 10 Ca 0.23 2.01 -0.06 0.00 0.00 0.00 0.00 60.65 62.83 2aff s ILE 10 Cb -0.15 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2aff s ILE 10 CO 0.15 0.42 0.75 -0.54 0.00 0.00 0.00 174.94 175.72 2aff s LYS 11 N -1.37 3.61 0.50 2.79 1.02 0.16 -4.47 119.74 121.97 2aff s LYS 11 Ca 0.43 0.23 0.17 0.00 0.02 0.00 0.00 55.97 56.82 2aff s LYS 11 Cb -0.25 -2.41 1.21 0.00 -0.52 0.00 0.00 37.83 35.86 2aff s LYS 11 CO 0.31 -0.11 2.08 0.00 -0.92 0.00 0.00 175.35 176.70 2aff h ARG 12 N 0.63 0.13 0.00 1.68 3.08 -1.86 0.25 114.38 118.28 2aff h ARG 12 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2aff h ARG 12 Cb 1.20 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2aff h ARG 12 CO 0.63 0.08 0.00 -1.13 -1.07 0.00 0.00 179.97 178.48 2aff n SER 13 N -4.48 0.44 0.00 7.04 3.41 -1.26 -4.87 113.62 113.89 2aff n SER 13 Ca 0.02 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2aff n SER 13 Cb 0.24 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 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 0.67 1.43 3.28 5.00 0.00 0.86 -5.10 105.19 111.34 2aff n GLY 14 Ca 0.04 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 2.18 0.31 1.61 1.01 -1.24 -4.85 120.40 117.42 2aff s VAL 15 Ca 0.00 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.67 2aff s VAL 15 Cb 0.00 -1.80 -0.10 0.00 0.00 0.00 0.00 36.38 34.48 2aff s VAL 15 CO 0.00 0.57 1.30 -1.81 0.00 0.00 0.00 175.10 175.16 2aff s ASP 16 N -0.14 6.81 0.00 3.32 1.01 -1.26 0.38 116.67 126.79 2aff s ASP 16 Ca -0.04 2.63 0.00 0.00 0.71 0.00 0.00 52.55 55.85 2aff s ASP 16 Cb -0.14 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.15 2aff s ASP 16 CO 0.04 -0.51 0.00 0.61 0.21 0.00 0.00 175.17 175.52 2aff n GLY 17 N 1.04 2.84 3.78 0.21 0.00 0.35 -4.85 105.19 108.57 2aff n GLY 17 Ca 0.01 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 3.37 3.95 -0.14 1.61 0.04 -1.26 -4.67 135.00 137.90 2aff s PRO 18 Ca 0.00 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 62.66 2aff s PRO 18 Cb 0.00 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 2aff s PRO 18 CO 0.00 -0.36 -0.08 -3.38 0.04 0.00 0.00 177.00 173.22 2aff s HIS 19 N -1.61 2.93 -0.43 0.56 -3.43 -1.26 -1.13 115.29 110.92 2aff s HIS 19 Ca 0.61 -0.39 -0.14 0.00 -0.80 0.00 0.00 55.06 54.34 2aff s HIS 19 Cb -0.25 -1.89 0.05 0.00 -1.43 0.00 0.00 32.58 29.06 2aff s HIS 19 CO 0.31 -0.06 0.32 0.12 -2.00 0.00 0.00 174.74 173.42 2aff s PHE 20 N 0.23 3.25 0.01 0.38 5.36 0.14 -4.91 117.98 122.45 2aff s PHE 20 Ca -0.05 -0.87 -0.30 0.00 -0.96 0.00 0.00 56.93 54.75 2aff s PHE 20 Cb -0.14 -2.82 -0.05 0.00 -0.34 0.00 0.00 43.02 39.67 2aff s PHE 20 CO 0.04 -0.70 1.25 -1.25 -1.46 0.00 0.00 175.22 173.09 2aff s PRO 21 N 1.62 4.37 -0.40 10.12 0.04 -1.26 -1.87 135.00 147.62 2aff s PRO 21 Ca 0.04 1.79 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 2aff s PRO 21 Cb -0.21 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 2aff s PRO 21 CO 0.07 -0.39 2.97 1.28 0.04 0.00 0.00 177.00 180.97 2aff n LEU 22 N 4.64 6.27 0.28 -3.56 4.77 -0.77 -4.48 117.00 124.14 2aff n LEU 22 Ca 0.11 -3.89 0.18 0.00 -0.03 0.00 0.00 56.01 52.38 2aff n LEU 22 Cb 0.46 -1.29 0.85 0.00 -2.33 0.00 0.00 43.42 41.10 2aff n LEU 22 CO 0.56 1.74 1.04 0.77 -1.33 0.00 0.00 177.39 180.17 2aff h SER 23 N 3.10 0.00 -3.78 -1.43 4.64 -1.91 -3.43 113.55 110.74 2aff h SER 23 Ca 0.36 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.19 2aff h SER 23 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2aff h SER 23 CO 0.76 0.00 0.37 -0.76 -0.87 0.00 0.00 176.83 176.33 2aff s LEU 24 N -5.87 4.59 0.55 5.97 1.43 -1.26 -4.93 118.68 119.15 2aff s LEU 24 Ca -0.01 1.99 0.27 0.00 -1.03 0.00 0.00 54.13 55.35 2aff s LEU 24 Cb 0.10 -3.67 1.59 0.00 0.03 0.00 0.00 46.19 44.24 2aff s LEU 24 CO 0.46 0.08 2.15 -1.28 0.23 0.00 0.00 176.35 177.99 2aff h SER 25 N 3.97 0.00 -3.50 2.29 0.87 -1.87 -3.41 113.55 111.89 2aff h SER 25 Ca -0.46 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.61 2aff h SER 25 Cb 1.20 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.83 2aff h SER 25 CO 0.67 0.07 -0.81 -0.89 -0.53 0.00 0.00 176.83 175.34 2aff s THR 26 N -4.45 1.02 -0.09 2.23 2.01 -1.26 -0.32 115.64 114.78 2aff s THR 26 Ca -0.04 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.54 2aff s THR 26 Cb 0.14 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.73 2aff s THR 26 CO 0.58 0.33 -0.09 0.00 -0.69 0.00 0.00 174.62 174.74 2aff s LEU 28 N 1.28 2.16 -0.08 0.00 2.96 -1.26 -0.09 118.68 123.64 2aff s LEU 28 Ca -0.03 -0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 53.36 2aff s LEU 28 Cb -0.14 -1.42 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 2aff s LEU 28 CO -0.03 0.19 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.79 2aff s PHE 29 N 0.14 3.03 -3.06 5.38 0.40 0.11 0.65 117.98 124.64 2aff s PHE 29 Ca -0.12 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 2aff s PHE 29 Cb -0.16 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.63 2aff s PHE 29 CO 0.07 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.79 2aff n GLY 30 N 2.19 -0.56 0.01 4.36 0.00 -0.74 -2.24 105.19 108.21 2aff n GLY 30 Ca -0.18 -0.77 0.03 0.00 0.00 0.00 0.00 46.02 45.10 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 0.66 -1.48 1.61 0.63 0.52 -1.98 116.66 116.62 2aff n ARG 31 Ca 0.00 -0.07 -0.30 0.00 -0.92 0.00 0.00 57.85 56.55 2aff n ARG 31 Cb 0.00 -1.23 0.09 0.00 0.45 0.00 0.00 32.46 31.77 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 -3.27 1.63 0.11 5.14 0.00 -1.11 -4.81 107.32 105.01 2aff s GLY 32 Ca -0.04 -0.10 -0.17 0.00 0.00 0.00 0.00 44.72 44.41 2aff s GLY 32 CO 0.39 0.31 1.61 -2.22 0.00 0.00 0.00 173.10 173.20 2aff h ILE 33 N -1.10 1.22 -0.20 0.90 1.08 -1.96 -2.27 117.51 115.18 2aff h ILE 33 Ca -0.47 -0.72 0.06 0.00 -0.39 0.00 0.00 64.86 63.34 2aff h ILE 33 Cb 1.26 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 2aff h ILE 33 CO 0.57 0.24 0.55 -0.33 -0.69 0.00 0.00 178.15 178.50 2aff h GLU 34 N 0.35 0.00 -6.31 2.37 5.08 -1.93 -3.40 114.58 110.74 2aff h GLU 34 Ca 0.10 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.91 2aff h GLU 34 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2aff h GLU 34 CO 0.00 0.00 1.01 0.00 -1.00 0.00 0.00 179.01 179.02 2aff h ASP 36 N 8.92 0.00 -3.27 0.00 3.32 -0.00 -3.38 116.42 122.01 2aff h ASP 36 Ca -0.39 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.13 2aff h ASP 36 Cb 1.18 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.37 2aff h ASP 36 CO 0.94 0.00 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.02 2aff s ILE 37 N -4.69 1.12 -0.04 0.35 1.01 -0.36 -4.96 121.20 113.62 2aff s ILE 37 Ca -0.05 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2aff s ILE 37 Cb 0.15 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 2aff s ILE 37 CO 0.56 0.37 -0.06 -0.13 0.00 0.00 0.00 174.94 175.68 2aff s ARG 38 N 1.25 2.70 -0.08 2.79 0.52 -1.26 -1.78 118.95 123.10 2aff s ARG 38 Ca -0.03 -0.60 0.05 0.00 -0.52 0.00 0.00 55.73 54.63 2aff s ARG 38 Cb -0.14 -2.57 -0.00 0.00 0.52 0.00 0.00 34.95 32.75 2aff s ARG 38 CO -0.03 0.65 -0.23 0.42 0.02 0.00 0.00 175.30 176.12 2aff s ILE 39 N -0.88 1.93 -0.02 1.52 1.01 -0.84 -4.99 121.20 118.94 2aff s ILE 39 Ca 0.14 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 39 Cb -0.11 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.70 2aff s ILE 39 CO 0.04 0.54 0.73 0.00 0.00 0.00 0.00 174.94 176.24 2aff n GLN 40 N 3.27 0.74 -4.47 2.79 6.02 -1.26 -4.72 117.38 119.75 2aff n GLN 40 Ca -0.19 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.47 2aff n GLN 40 Cb 0.52 -1.14 -0.12 0.00 1.02 0.00 0.00 30.24 30.53 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2aff s LEU 41 N 0.00 3.25 0.15 1.08 1.43 -1.26 -4.99 118.68 118.33 2aff s LEU 41 Ca 0.00 -0.08 0.22 0.00 -1.03 0.00 0.00 54.13 53.25 2aff s LEU 41 Cb 0.00 -1.76 0.89 0.00 0.03 0.00 0.00 46.19 45.35 2aff s LEU 41 CO 0.00 0.24 1.69 -0.81 0.23 0.00 0.00 176.35 177.70 2aff n PRO 42 N 3.05 0.13 -0.06 1.29 -0.04 -1.26 -2.26 135.00 135.85 2aff n PRO 42 Ca -0.18 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2aff n PRO 42 Cb 0.53 -1.72 0.42 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.97 0.16 -3.69 0.52 0.24 -1.26 -4.81 118.33 107.52 2aff n VAL 43 Ca 0.04 -0.29 -0.36 0.00 -2.04 0.00 0.00 64.34 61.69 2aff n VAL 43 Cb 0.27 0.31 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.84 5.39 1.06 3.34 1.01 -0.96 -4.93 120.40 123.47 2aff s VAL 44 Ca 0.33 0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.45 2aff s VAL 44 Cb 0.17 -3.51 0.22 0.00 0.00 0.00 0.00 36.38 33.26 2aff s VAL 44 CO 0.27 0.44 1.11 -0.44 0.00 0.00 0.00 175.10 176.48 2aff s SER 45 N 0.27 2.16 0.18 3.32 0.01 -1.26 -4.47 113.70 113.90 2aff s SER 45 Ca 0.11 0.94 -0.11 0.00 1.31 0.00 0.00 55.95 58.20 2aff s SER 45 Cb -0.12 -1.45 0.08 0.00 0.21 0.00 0.00 66.02 64.75 2aff s SER 45 CO 0.00 -3.39 1.72 0.11 0.41 0.00 0.00 173.24 172.08 2aff h LYS 46 N -2.08 0.96 0.00 12.44 1.57 -1.93 0.15 116.57 127.68 2aff h LYS 46 Ca -0.51 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.07 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 0.51 0.84 -0.74 1.04 -0.57 0.00 0.00 179.45 180.52 2aff n GLN 47 N -4.39 2.40 0.00 3.15 6.02 -1.26 -2.77 117.38 120.53 2aff n GLN 47 Ca 0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2aff n GLN 47 Cb 0.20 -0.90 0.00 0.00 1.02 0.00 0.00 30.24 30.56 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 -1.39 0.00 -4.16 1.08 -0.00 -1.14 -4.01 115.22 105.60 2aff n HIS 48 Ca -0.00 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.02 2aff n HIS 48 Cb 0.06 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.79 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 -0.17 1.69 -0.06 0.00 2.20 -0.72 0.09 119.74 122.76 2aff s LYS 50 Ca 0.02 -0.58 0.05 0.00 -0.36 0.00 0.00 55.97 55.10 2aff s LYS 50 Cb -0.02 -1.48 -0.01 0.00 -1.51 0.00 0.00 37.83 34.81 2aff s LYS 50 CO -0.00 0.23 -0.23 0.42 -0.36 0.00 0.00 175.35 175.41 2aff s ILE 51 N 0.04 1.90 -0.14 5.43 1.01 0.86 0.10 121.20 130.40 2aff s ILE 51 Ca -0.03 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.66 2aff s ILE 51 Cb -0.11 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 2aff s ILE 51 CO 0.02 0.53 -0.16 -1.61 0.00 0.00 0.00 174.94 173.72 2aff s GLU 52 N -0.00 3.25 -0.32 2.79 2.02 0.79 -1.41 118.70 125.81 2aff s GLU 52 Ca -0.07 -0.75 -0.08 0.00 0.02 0.00 0.00 54.97 54.09 2aff s GLU 52 Cb -0.14 -2.59 0.01 0.00 0.10 0.00 0.00 34.13 31.52 2aff s GLU 52 CO 0.04 0.09 0.13 0.42 0.02 0.00 0.00 175.26 175.97 2aff s ILE 53 N 0.62 4.24 0.01 -1.63 1.01 0.56 -0.37 121.20 125.64 2aff s ILE 53 Ca -0.09 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 59.88 2aff s ILE 53 Cb -0.16 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2aff s ILE 53 CO 0.03 -0.03 -0.12 -1.00 0.00 0.00 0.00 174.94 173.82 2aff s HIS 54 N 1.53 2.74 0.55 3.97 3.76 0.10 -4.81 115.29 123.12 2aff s HIS 54 Ca 0.02 -0.13 0.47 0.00 -0.15 0.00 0.00 55.06 55.27 2aff s HIS 54 Cb -0.18 -1.56 1.70 0.00 1.11 0.00 0.00 32.58 33.65 2aff s HIS 54 CO 0.04 0.30 1.60 1.49 -0.85 0.00 0.00 174.74 177.32 2aff h GLU 55 N 4.65 0.00 0.11 1.40 4.81 -2.01 0.24 114.58 123.78 2aff h GLU 55 Ca -0.48 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2aff h GLU 55 Cb 1.16 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2aff h GLU 55 CO 0.51 0.00 -0.05 1.96 -0.73 0.00 0.00 179.01 180.70 2aff h GLN 56 N 0.00 -0.14 0.00 1.92 4.20 -2.01 -3.49 115.11 115.60 2aff h GLN 56 Ca 0.90 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.62 2aff h GLN 56 Cb 3.55 0.03 0.00 0.00 0.30 0.00 0.00 27.48 31.36 2aff h GLN 56 CO -0.06 -0.09 0.00 -1.91 -0.67 0.00 0.00 178.83 176.10 2aff n GLU 57 N -2.41 0.00 -4.37 1.46 4.07 0.83 -5.15 120.64 115.07 2aff n GLU 57 Ca -0.02 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.74 2aff n GLU 57 Cb 0.06 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.30 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 -1.10 2.82 -0.11 4.31 0.00 -1.26 -0.72 121.76 125.69 2aff s ALA 58 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.02 2aff s ALA 58 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 2aff s ALA 58 CO 0.00 0.02 -0.16 0.42 0.00 0.00 0.00 175.76 176.04 2aff s ILE 59 N 0.72 2.84 -0.18 0.00 1.01 0.50 0.21 121.20 126.29 2aff s ILE 59 Ca -0.03 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 2aff s ILE 59 Cb -0.15 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 2aff s ILE 59 CO 0.02 0.54 0.11 -0.22 0.00 0.00 0.00 174.94 175.39 2aff s LEU 60 N 0.18 4.12 -0.09 2.97 2.96 -0.17 -0.15 118.68 128.50 2aff s LEU 60 Ca -0.09 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 2aff s LEU 60 Cb -0.15 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 2aff s LEU 60 CO 0.05 0.21 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.15 2aff s HIS 61 N 0.19 2.75 -0.52 5.38 3.76 0.28 -1.59 115.29 125.54 2aff s HIS 61 Ca 0.08 -0.42 -0.20 0.00 -0.15 0.00 0.00 55.06 54.36 2aff s HIS 61 Cb -0.11 -1.74 0.06 0.00 1.11 0.00 0.00 32.58 31.90 2aff s HIS 61 CO -0.01 -0.03 0.69 1.21 -0.85 0.00 0.00 174.74 175.75 2aff s ASN 62 N -0.16 6.24 0.00 1.40 3.84 -1.26 -1.76 114.94 123.24 2aff s ASN 62 Ca -0.01 -0.86 0.19 0.00 0.21 0.00 0.00 52.86 52.40 2aff s ASN 62 Cb -0.13 -2.32 -0.19 0.00 -0.55 0.00 0.00 41.25 38.06 2aff s ASN 62 CO 0.03 -0.97 0.83 0.49 -2.79 0.00 0.00 177.10 174.69 2aff n PHE 63 N 6.42 0.00 -2.74 0.43 3.01 -0.51 -4.83 117.46 119.24 2aff n PHE 63 Ca -0.05 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.98 2aff n PHE 63 Cb 0.45 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.89 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 -2.77 6.24 0.09 4.37 0.15 0.17 -4.61 113.70 117.33 2aff s SER 64 Ca 0.08 -0.96 -0.11 0.00 0.70 0.00 0.00 55.95 55.67 2aff s SER 64 Cb 0.15 -2.48 -0.21 0.00 -1.71 0.00 0.00 66.02 61.77 2aff s SER 64 CO 0.77 -1.54 1.20 0.28 1.20 0.00 0.00 173.24 175.14 2aff h SER 65 N 9.67 0.76 -0.46 5.45 0.02 -1.89 -2.94 113.55 124.17 2aff h SER 65 Ca -0.20 -0.65 -0.02 0.00 -0.84 0.00 0.00 61.79 60.08 2aff h SER 65 Cb 1.05 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 2aff h SER 65 CO 1.23 1.46 0.21 0.74 -1.14 0.00 0.00 176.83 179.33 2aff h THR 66 N 0.30 1.19 -2.74 -2.27 2.02 -2.00 -3.39 112.91 106.02 2aff h THR 66 Ca -0.13 -0.54 -0.55 0.00 0.77 0.00 0.00 66.41 65.96 2aff h THR 66 Cb 1.74 0.70 -0.40 0.00 -1.74 0.00 0.00 68.15 68.46 2aff h THR 66 CO 0.20 0.21 -0.80 0.20 0.37 0.00 0.00 175.52 175.70 2aff s ASN 67 N -5.84 3.35 0.45 4.18 0.01 -1.24 -5.13 114.94 110.72 2aff s ASN 67 Ca -0.13 -1.69 -0.24 0.00 -0.71 0.00 0.00 52.86 50.09 2aff s ASN 67 Cb 0.11 -0.42 -0.09 0.00 0.41 0.00 0.00 41.25 41.26 2aff s ASN 67 CO 0.76 -0.38 1.11 -2.65 -1.51 0.00 0.00 177.10 174.42 2aff n PRO 68 N 4.71 1.50 -2.42 -0.60 -0.02 -1.11 -4.69 135.00 132.37 2aff n PRO 68 Ca 0.02 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 2aff n PRO 68 Cb 0.40 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2aff n PRO 68 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2aff s THR 69 N -1.28 3.48 -0.14 3.45 2.01 -1.26 -4.84 115.64 117.06 2aff s THR 69 Ca 0.65 1.40 -0.08 0.00 0.31 0.00 0.00 61.69 63.97 2aff s THR 69 Cb -0.51 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2aff s THR 69 CO 0.55 0.30 0.14 -1.10 -0.69 0.00 0.00 174.62 173.82 2aff s GLN 70 N -1.08 3.61 -0.04 4.92 -0.21 -0.45 -1.84 119.66 124.57 2aff s GLN 70 Ca 0.47 -0.15 0.02 0.00 0.02 0.00 0.00 55.36 55.73 2aff s GLN 70 Cb -0.33 -3.24 0.01 0.00 1.00 0.00 0.00 33.01 30.45 2aff s GLN 70 CO 0.40 0.67 -0.09 0.08 -2.12 0.00 0.00 175.29 174.24 2aff s VAL 71 N -0.72 0.81 -1.30 1.09 1.01 0.49 0.20 120.40 121.98 2aff s VAL 71 Ca 0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2aff s VAL 71 Cb -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.53 2aff s VAL 71 CO 0.03 0.27 0.21 0.59 0.00 0.00 0.00 175.10 176.19 2aff n ASN 72 N 3.57 -4.52 -0.73 3.32 3.02 -0.63 0.08 115.26 119.37 2aff n ASN 72 Ca -0.21 -0.05 -0.07 0.00 -0.03 0.00 0.00 54.58 54.22 2aff n ASN 72 Cb 0.53 -3.77 -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 0.28 3.04 7.41 0.00 -1.26 -5.04 105.19 108.58 2aff n GLY 73 Ca -0.13 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.74 -0.15 0.42 1.61 0.01 0.11 -5.10 113.70 107.86 2aff s SER 74 Ca 0.00 0.29 -0.23 0.00 1.31 0.00 0.00 55.95 57.32 2aff s SER 74 Cb 0.00 0.31 -0.09 0.00 0.21 0.00 0.00 66.02 66.46 2aff s SER 74 CO 0.00 -0.07 1.07 0.68 0.41 0.00 0.00 173.24 175.33 2aff s VAL 75 N 0.02 3.63 -0.41 3.43 -7.23 -1.26 0.19 120.40 118.77 2aff s VAL 75 Ca -0.01 1.20 0.00 0.00 -1.81 0.00 0.00 61.98 61.37 2aff s VAL 75 Cb -0.01 -3.60 0.11 0.00 0.56 0.00 0.00 36.38 33.44 2aff s VAL 75 CO 0.00 -0.04 0.16 0.27 -0.31 0.00 0.00 175.10 175.18 2aff s ILE 76 N -1.70 2.85 0.34 -0.62 -4.36 -0.77 -4.88 121.20 112.07 2aff s ILE 76 Ca 0.60 -2.35 0.21 0.00 -0.26 0.00 0.00 60.65 58.86 2aff s ILE 76 Cb -0.22 -3.00 0.21 0.00 1.25 0.00 0.00 42.46 40.69 2aff s ILE 76 CO 0.27 -0.68 1.93 0.44 0.24 0.00 0.00 174.94 177.15 2aff h ASP 77 N 7.67 0.00 -2.28 4.36 3.32 -1.96 -3.44 116.42 124.10 2aff h ASP 77 Ca -0.08 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.40 2aff h ASP 77 Cb 1.02 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.43 2aff h ASP 77 CO 0.63 0.24 -0.66 -1.83 -1.72 0.00 0.00 179.24 175.89 2aff s GLU 78 N -4.09 1.76 0.62 3.56 -1.05 -1.26 -4.93 118.70 113.31 2aff s GLU 78 Ca -0.02 -1.93 -0.18 0.00 -0.15 0.00 0.00 54.97 52.69 2aff s GLU 78 Cb 0.13 -1.46 -0.02 0.00 -0.44 0.00 0.00 34.13 32.33 2aff s GLU 78 CO 0.65 0.04 1.22 -1.25 0.95 0.00 0.00 175.26 176.87 2aff s PRO 79 N -3.69 2.82 -0.01 -4.83 0.04 -1.26 -4.70 135.00 123.37 2aff s PRO 79 Ca 0.33 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 2aff s PRO 79 Cb 0.05 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2aff s PRO 79 CO 0.15 -1.33 0.05 0.14 0.04 0.00 0.00 177.00 176.05 2aff s VAL 80 N -1.61 0.02 0.17 -0.36 -7.23 -0.62 -5.02 120.40 105.74 2aff s VAL 80 Ca 0.78 -0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.48 2aff s VAL 80 Cb -0.31 -0.14 -0.07 0.00 0.56 0.00 0.00 36.38 36.42 2aff s VAL 80 CO 0.35 -0.09 1.12 -0.60 -0.31 0.00 0.00 175.10 175.58 2aff s ARG 81 N -0.26 4.56 0.12 4.82 3.52 -1.26 -1.00 118.95 129.44 2aff s ARG 81 Ca -0.03 1.75 -0.26 0.00 -0.13 0.00 0.00 55.73 57.06 2aff s ARG 81 Cb -0.02 -3.28 -0.07 0.00 -1.56 0.00 0.00 34.95 30.02 2aff s ARG 81 CO 0.00 0.02 0.79 -0.51 -0.81 0.00 0.00 175.30 174.79 2aff s LEU 82 N -0.24 4.54 0.12 -0.88 1.43 0.57 -4.87 118.68 119.35 2aff s LEU 82 Ca 0.51 1.60 0.06 0.00 -1.03 0.00 0.00 54.13 55.26 2aff s LEU 82 Cb -0.30 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 2aff s LEU 82 CO 0.35 0.11 -0.14 -0.54 0.23 0.00 0.00 176.35 176.36 2aff s LYS 83 N -0.65 1.04 -0.13 1.70 1.02 -1.26 -4.20 119.74 117.26 2aff s LYS 83 Ca 0.38 -1.25 -0.32 0.00 0.02 0.00 0.00 55.97 54.80 2aff s LYS 83 Cb -0.22 -0.91 -0.09 0.00 -0.52 0.00 0.00 37.83 36.08 2aff s LYS 83 CO 0.26 0.17 2.03 1.58 -0.92 0.00 0.00 175.35 178.47 2aff n HIS 84 N 0.50 2.19 0.00 3.18 -0.00 -1.26 -0.52 115.22 119.30 2aff n HIS 84 Ca -0.15 -0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.47 2aff n HIS 84 Cb 0.57 -2.70 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 5.07 1.38 3.71 1.57 0.00 -1.06 -4.99 105.19 110.87 2aff n GLY 85 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.87 6.75 -0.12 1.61 -1.08 0.32 -4.84 116.67 117.44 2aff s ASP 86 Ca 0.00 2.37 -0.02 0.00 -0.52 0.00 0.00 52.55 54.38 2aff s ASP 86 Cb 0.00 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.85 2aff s ASP 86 CO 0.00 -0.73 -0.04 0.54 0.52 0.00 0.00 175.17 175.46 2aff s VAL 87 N 1.55 3.91 -0.16 1.11 0.11 -1.26 -2.05 120.40 123.62 2aff s VAL 87 Ca 0.67 -0.38 -0.05 0.00 -2.93 0.00 0.00 61.98 59.29 2aff s VAL 87 Cb -0.38 -2.66 -0.03 0.00 -1.53 0.00 0.00 36.38 31.78 2aff s VAL 87 CO 0.30 0.55 0.00 -0.63 -3.33 0.00 0.00 175.10 171.99 2aff s ILE 88 N -0.23 4.28 -0.15 7.04 1.01 -0.76 -1.60 121.20 130.79 2aff s ILE 88 Ca 0.04 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.49 2aff s ILE 88 Cb -0.13 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.47 2aff s ILE 88 CO 0.02 0.50 -0.21 -0.89 0.00 0.00 0.00 174.94 174.36 2aff s THR 89 N 0.21 2.08 -0.16 2.92 2.01 0.53 -0.15 115.64 123.07 2aff s THR 89 Ca 0.01 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.04 2aff s THR 89 Cb -0.13 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.54 2aff s THR 89 CO 0.02 0.55 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.71 2aff s ILE 90 N 0.94 2.60 0.00 1.82 1.01 0.54 -1.35 121.20 126.77 2aff s ILE 90 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 90 Cb -0.15 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2aff s ILE 90 CO -0.05 0.51 0.00 -0.38 0.00 0.00 0.00 174.94 175.03 2aff n ILE 91 N 4.17 0.00 -0.81 2.92 2.08 -1.26 0.20 119.36 126.66 2aff n ILE 91 Ca -0.19 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.19 2aff n ILE 91 Cb 0.51 0.00 0.14 0.00 -0.75 0.00 0.00 39.64 39.55 2aff n ILE 91 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2aff n ASP 92 N 4.82 2.65 -4.18 4.38 5.75 -1.26 -5.00 116.55 123.71 2aff n ASP 92 Ca 0.00 -2.81 -0.24 0.00 -0.01 0.00 0.00 54.79 51.73 2aff n ASP 92 Cb 0.00 -0.37 -0.14 0.00 -1.03 0.00 0.00 41.12 39.58 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2aff s ARG 93 N -2.42 1.27 0.05 0.11 0.52 0.53 -4.67 118.95 114.34 2aff s ARG 93 Ca 0.28 -0.73 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 2aff s ARG 93 Cb 0.23 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 34.40 2aff s ARG 93 CO 0.05 0.34 -0.09 0.45 0.02 0.00 0.00 175.30 176.07 2aff s SER 94 N -0.78 0.98 -0.12 0.23 0.15 -1.26 0.20 113.70 113.10 2aff s SER 94 Ca 0.06 -0.57 0.01 0.00 0.70 0.00 0.00 55.95 56.15 2aff s SER 94 Cb -0.07 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 2aff s SER 94 CO 0.00 -0.19 -0.15 -0.36 1.20 0.00 0.00 173.24 173.74 2aff s PHE 95 N -1.42 2.03 -0.09 3.44 0.40 0.78 -2.01 117.98 121.12 2aff s PHE 95 Ca -0.08 -1.01 -0.24 0.00 -0.60 0.00 0.00 56.93 55.00 2aff s PHE 95 Cb -0.10 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 2aff s PHE 95 CO 0.01 -0.53 0.75 1.03 0.70 0.00 0.00 175.22 177.18 2aff s ARG 96 N 1.11 4.41 -0.20 0.44 0.52 -0.92 -1.82 118.95 122.49 2aff s ARG 96 Ca -0.04 0.94 -0.18 0.00 -0.52 0.00 0.00 55.73 55.94 2aff s ARG 96 Cb -0.14 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.81 2aff s ARG 96 CO -0.04 -0.04 0.50 -0.47 0.02 0.00 0.00 175.30 175.27 2aff s TYR 97 N 1.14 3.38 -0.14 -0.53 5.04 -0.87 -2.35 117.35 123.02 2aff s TYR 97 Ca 0.39 0.75 -0.00 0.00 -2.44 0.00 0.00 57.07 55.77 2aff s TYR 97 Cb -0.18 -2.64 0.03 0.00 0.35 0.00 0.00 41.96 39.52 2aff s TYR 97 CO 0.18 -0.08 -0.09 -2.00 -1.34 0.00 0.00 175.55 172.22 2aff s GLU 98 N 1.55 1.75 -0.46 4.97 2.12 -0.71 -2.55 118.70 125.38 2aff s GLU 98 Ca 0.23 -0.44 -0.12 0.00 0.36 0.00 0.00 54.97 55.00 2aff s GLU 98 Cb -0.15 -1.88 0.09 0.00 0.26 0.00 0.00 34.13 32.44 2aff s GLU 98 CO 0.09 -0.31 0.35 1.21 -0.54 0.00 0.00 175.26 176.06 2aff s ASN 99 N 1.61 5.90 0.00 -1.70 3.84 -1.26 -0.98 114.94 122.35 2aff s ASN 99 Ca 0.04 -1.50 0.29 0.00 0.21 0.00 0.00 52.86 51.89 2aff s ASN 99 Cb -0.13 -2.09 1.25 0.00 -0.55 0.00 0.00 41.25 39.73 2aff s ASN 99 CO -0.09 -0.63 1.86 -0.62 -2.79 0.00 0.00 177.10 174.83