#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 0.07 -3.41 0.52 -2.24 -1.26 -4.97 114.28 103.00 2aff n THR 4 Ca 0.00 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 2aff n THR 4 Cb 0.00 -0.77 -0.09 0.00 -2.10 0.00 0.00 70.33 67.38 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 -2.03 4.07 0.01 -0.78 0.52 -1.26 -1.02 118.95 118.47 2aff s ARG 5 Ca -0.01 0.08 0.01 0.00 -0.52 0.00 0.00 55.73 55.28 2aff s ARG 5 Cb 0.00 -3.61 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 2aff s ARG 5 CO 0.04 -0.18 -0.03 -0.98 0.02 0.00 0.00 175.30 174.17 2aff s ARG 6 N 1.75 0.28 -0.05 3.54 1.70 -0.64 -2.00 118.95 123.53 2aff s ARG 6 Ca 0.16 -0.39 0.06 0.00 -0.47 0.00 0.00 55.73 55.09 2aff s ARG 6 Cb -0.15 -0.10 -0.01 0.00 -0.57 0.00 0.00 34.95 34.12 2aff s ARG 6 CO 0.09 0.01 -0.23 -1.17 -1.08 0.00 0.00 175.30 172.92 2aff s LEU 7 N -0.83 2.19 -0.14 -1.89 2.96 -0.92 -1.75 118.68 118.31 2aff s LEU 7 Ca -0.07 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 2aff s LEU 7 Cb -0.06 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 2aff s LEU 7 CO -0.00 0.27 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.54 2aff s VAL 8 N -0.29 3.68 -0.35 1.68 1.01 -0.61 0.99 120.40 126.51 2aff s VAL 8 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 2aff s VAL 8 Cb -0.13 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 2aff s VAL 8 CO 0.02 0.52 0.52 -0.89 0.00 0.00 0.00 175.10 175.28 2aff s THR 9 N 0.16 5.00 0.34 3.92 2.01 -0.90 -1.75 115.64 124.42 2aff s THR 9 Ca -0.03 0.34 -0.26 0.00 0.31 0.00 0.00 61.69 62.06 2aff s THR 9 Cb -0.14 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 2aff s THR 9 CO 0.03 -0.23 0.95 -0.63 -0.69 0.00 0.00 174.62 174.05 2aff s ILE 10 N 2.42 4.19 0.40 1.82 -1.09 -0.97 -2.36 121.20 125.60 2aff s ILE 10 Ca 0.19 1.76 -0.03 0.00 -2.23 0.00 0.00 60.65 60.34 2aff s ILE 10 Cb -0.15 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 2aff s ILE 10 CO 0.13 0.09 0.67 -0.54 -1.23 0.00 0.00 174.94 174.06 2aff s LYS 11 N -2.18 3.55 0.56 2.79 1.02 0.66 -4.65 119.74 121.49 2aff s LYS 11 Ca 0.52 -0.01 0.27 0.00 0.02 0.00 0.00 55.97 56.77 2aff s LYS 11 Cb -0.18 -2.52 1.49 0.00 -0.52 0.00 0.00 37.83 36.10 2aff s LYS 11 CO 0.23 -0.01 2.01 0.00 -0.92 0.00 0.00 175.35 176.66 2aff h ARG 12 N 0.69 0.00 0.00 1.68 3.08 -1.90 0.43 114.38 118.36 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 0.62 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.39 2aff n SER 13 N -4.07 0.12 -0.07 7.04 3.41 -1.26 -4.89 113.62 113.90 2aff n SER 13 Ca 0.07 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 2aff n SER 13 Cb 0.53 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.35 1.21 3.25 5.00 0.00 0.15 -5.09 105.19 111.06 2aff n GLY 14 Ca 0.07 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.14 1.99 0.08 1.61 1.01 -1.24 -4.87 120.40 116.84 2aff s VAL 15 Ca 0.00 -1.03 -0.31 0.00 0.00 0.00 0.00 61.98 60.65 2aff s VAL 15 Cb 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 2aff s VAL 15 CO 0.00 0.55 1.32 -0.62 0.00 0.00 0.00 175.10 176.35 2aff s ASP 16 N -0.08 6.92 0.00 3.32 -1.08 -1.26 -0.25 116.67 124.25 2aff s ASP 16 Ca -0.06 2.18 0.00 0.00 -0.52 0.00 0.00 52.55 54.15 2aff s ASP 16 Cb -0.14 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2aff s ASP 16 CO 0.04 -0.60 0.00 0.61 0.52 0.00 0.00 175.17 175.75 2aff n GLY 17 N 3.41 2.54 3.77 2.66 0.00 -1.00 -4.93 105.19 111.64 2aff n GLY 17 Ca 0.11 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 3.15 4.10 0.00 1.61 0.04 -1.26 -4.79 135.00 137.85 2aff s PRO 18 Ca 0.00 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 2aff s PRO 18 Cb 0.00 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2aff s PRO 18 CO 0.00 -0.25 0.09 -1.01 0.04 0.00 0.00 177.00 175.87 2aff s HIS 19 N -1.49 3.29 -0.55 0.56 3.76 -1.26 -2.12 115.29 117.48 2aff s HIS 19 Ca 0.57 0.20 0.01 0.00 -0.15 0.00 0.00 55.06 55.69 2aff s HIS 19 Cb -0.28 -1.73 0.14 0.00 1.11 0.00 0.00 32.58 31.82 2aff s HIS 19 CO 0.35 0.55 0.33 0.12 -0.85 0.00 0.00 174.74 175.24 2aff s PHE 20 N -1.21 3.34 0.13 1.40 5.36 0.28 -4.97 117.98 122.30 2aff s PHE 20 Ca 0.24 -2.92 -0.31 0.00 -0.96 0.00 0.00 56.93 52.98 2aff s PHE 20 Cb -0.12 -3.02 -0.10 0.00 -0.34 0.00 0.00 43.02 39.43 2aff s PHE 20 CO 0.15 -0.81 1.83 -2.14 -1.46 0.00 0.00 175.22 172.79 2aff s PRO 21 N -0.04 4.13 -0.26 10.12 0.02 -1.26 -2.16 135.00 145.55 2aff s PRO 21 Ca 0.16 2.60 -0.05 0.00 0.02 0.00 0.00 61.00 63.73 2aff s PRO 21 Cb -0.23 -3.58 -0.12 0.00 0.02 0.00 0.00 34.50 30.59 2aff s PRO 21 CO -0.02 -0.84 3.24 1.28 -0.33 0.00 0.00 177.00 180.33 2aff n LEU 22 N 5.63 5.89 0.30 -5.54 4.77 -0.85 -4.48 117.00 122.73 2aff n LEU 22 Ca 0.18 -3.61 0.17 0.00 -0.03 0.00 0.00 56.01 52.72 2aff n LEU 22 Cb 0.38 -1.35 0.95 0.00 -2.33 0.00 0.00 43.42 41.08 2aff n LEU 22 CO 0.66 1.73 1.11 0.77 -1.33 0.00 0.00 177.39 180.33 2aff h SER 23 N 3.09 0.00 -3.61 -1.43 4.64 -1.89 -3.41 113.55 110.94 2aff h SER 23 Ca 0.30 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.11 2aff h SER 23 Cb 1.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 2aff h SER 23 CO 0.56 0.02 0.20 -0.76 -0.87 0.00 0.00 176.83 175.98 2aff s LEU 24 N -7.18 4.50 0.46 5.97 1.43 -1.26 -4.95 118.68 117.64 2aff s LEU 24 Ca -0.04 1.64 0.31 0.00 -1.03 0.00 0.00 54.13 55.01 2aff s LEU 24 Cb 0.14 -3.51 1.42 0.00 0.03 0.00 0.00 46.19 44.27 2aff s LEU 24 CO 0.52 0.12 1.94 0.28 0.23 0.00 0.00 176.35 179.43 2aff h SER 25 N 3.90 0.00 -3.65 2.29 0.02 -1.90 -3.43 113.55 110.77 2aff h SER 25 Ca -0.47 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.10 2aff h SER 25 Cb 1.20 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.42 2aff h SER 25 CO 0.66 0.00 -0.77 -0.89 -1.14 0.00 0.00 176.83 174.69 2aff s THR 26 N -3.63 0.51 -0.12 -2.27 2.01 -1.26 -0.66 115.64 110.22 2aff s THR 26 Ca 0.01 -0.18 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 2aff s THR 26 Cb 0.09 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 72.13 2aff s THR 26 CO 0.44 0.19 -0.09 0.00 -0.69 0.00 0.00 174.62 174.46 2aff s LEU 28 N 1.65 2.96 -0.12 0.00 2.96 -1.26 0.30 118.68 125.16 2aff s LEU 28 Ca 0.05 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 2aff s LEU 28 Cb -0.13 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 2aff s LEU 28 CO -0.09 0.14 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.70 2aff s PHE 29 N 0.51 3.06 -5.00 5.38 0.40 0.19 0.14 117.98 122.66 2aff s PHE 29 Ca -0.06 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 2aff s PHE 29 Cb -0.15 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.51 2aff s PHE 29 CO 0.03 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.56 2aff n GLY 30 N 2.86 -1.10 0.08 4.36 0.00 -0.77 -2.36 105.19 108.27 2aff n GLY 30 Ca -0.18 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 1.25 0.06 -6.69 1.61 3.08 -1.24 -2.71 114.38 109.74 2aff h ARG 31 Ca 0.00 -0.10 -0.55 0.00 0.07 0.00 0.00 59.98 59.40 2aff h ARG 31 Cb 0.00 0.04 0.19 0.00 0.08 0.00 0.00 29.97 30.28 2aff h ARG 31 CO 0.00 0.81 -0.45 0.41 -1.07 0.00 0.00 179.97 179.66 2aff n GLY 32 N 1.52 -1.68 0.24 0.04 0.00 -0.97 -4.86 105.19 99.48 2aff n GLY 32 Ca -0.12 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.69 1.26 0.00 -0.61 6.09 -1.92 -2.49 117.51 119.15 2aff h ILE 33 Ca -0.45 -1.04 0.00 0.00 -1.37 0.00 0.00 64.86 62.00 2aff h ILE 33 Cb 1.33 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.66 2aff h ILE 33 CO 0.40 0.36 0.08 -0.33 -3.07 0.00 0.00 178.15 175.59 2aff h GLU 34 N 0.64 0.00 -6.37 2.19 4.39 -1.95 -3.42 114.58 110.06 2aff h GLU 34 Ca 0.13 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.30 2aff h GLU 34 Cb 0.49 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.16 2aff h GLU 34 CO 0.02 0.00 1.23 0.00 -1.16 0.00 0.00 179.01 179.10 2aff h ASP 36 N 10.45 0.26 -3.56 0.00 3.32 -0.56 -3.36 116.42 122.97 2aff h ASP 36 Ca -0.50 -0.02 -0.67 0.00 0.02 0.00 0.00 57.03 55.87 2aff h ASP 36 Cb 1.24 -0.07 -0.36 0.00 0.22 0.00 0.00 39.33 40.36 2aff h ASP 36 CO 0.94 0.23 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.24 2aff s ILE 37 N -5.19 2.11 -0.17 0.35 -1.09 0.28 -4.94 121.20 112.54 2aff s ILE 37 Ca -0.07 -1.37 -0.08 0.00 -2.23 0.00 0.00 60.65 56.90 2aff s ILE 37 Cb 0.17 -2.11 -0.05 0.00 -1.58 0.00 0.00 42.46 38.89 2aff s ILE 37 CO 0.71 0.18 0.11 -0.13 -1.23 0.00 0.00 174.94 174.59 2aff s ARG 38 N 1.18 3.92 -0.09 2.79 0.52 -1.26 -1.84 118.95 124.17 2aff s ARG 38 Ca -0.04 -0.23 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2aff s ARG 38 Cb -0.17 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 32.01 2aff s ARG 38 CO -0.08 0.43 -0.19 0.42 0.02 0.00 0.00 175.30 175.90 2aff s ILE 39 N -0.02 1.66 -0.13 1.52 1.01 -1.02 -4.97 121.20 119.26 2aff s ILE 39 Ca 0.09 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 2aff s ILE 39 Cb -0.12 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 2aff s ILE 39 CO 0.00 0.47 2.51 0.00 0.00 0.00 0.00 174.94 177.92 2aff n GLN 40 N 3.66 1.61 -4.23 2.79 0.00 -1.26 -4.38 117.38 115.58 2aff n GLN 40 Ca -0.21 -0.91 -0.34 0.00 0.00 0.00 0.00 57.00 55.54 2aff n GLN 40 Cb 0.52 -1.54 -0.13 0.00 0.00 0.00 0.00 30.24 29.10 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2aff s LEU 41 N -0.70 3.19 0.22 2.61 1.43 -1.26 -4.99 118.68 119.18 2aff s LEU 41 Ca 0.31 -0.20 0.21 0.00 -1.03 0.00 0.00 54.13 53.43 2aff s LEU 41 Cb 0.18 -1.79 0.92 0.00 0.03 0.00 0.00 46.19 45.54 2aff s LEU 41 CO -0.03 0.10 1.65 -0.81 0.23 0.00 0.00 176.35 177.50 2aff n PRO 42 N 3.98 0.16 -0.09 1.29 -0.04 -1.26 -1.96 135.00 137.07 2aff n PRO 42 Ca -0.17 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 2aff n PRO 42 Cb 0.52 -1.81 0.35 0.00 -0.04 0.00 0.00 33.50 32.52 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 -2.11 0.24 -4.34 0.52 0.24 -1.26 -4.85 118.33 106.77 2aff n VAL 43 Ca 0.02 -0.39 -0.35 0.00 -2.04 0.00 0.00 64.34 61.59 2aff n VAL 43 Cb 0.20 0.43 -0.10 0.00 -1.47 0.00 0.00 33.84 32.90 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 -1.76 4.27 0.96 3.34 1.01 -0.83 -4.87 120.40 122.52 2aff s VAL 44 Ca 0.33 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 2aff s VAL 44 Cb 0.18 -2.83 0.16 0.00 0.00 0.00 0.00 36.38 33.89 2aff s VAL 44 CO 0.27 0.56 1.10 -0.44 0.00 0.00 0.00 175.10 176.59 2aff s SER 45 N -0.44 3.00 0.26 3.32 0.01 -1.26 -4.63 113.70 113.95 2aff s SER 45 Ca 0.08 1.23 -0.04 0.00 1.31 0.00 0.00 55.95 58.53 2aff s SER 45 Cb -0.12 -1.89 0.31 0.00 0.21 0.00 0.00 66.02 64.52 2aff s SER 45 CO 0.02 -2.90 1.86 0.11 0.41 0.00 0.00 173.24 172.74 2aff h LYS 46 N -1.73 1.10 0.00 12.44 1.57 -1.94 -2.59 116.57 125.42 2aff h LYS 46 Ca -0.53 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 2aff h LYS 46 Cb 1.32 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2aff h LYS 46 CO 0.57 0.84 -1.02 1.04 -0.57 0.00 0.00 179.45 180.31 2aff n GLN 47 N -4.32 1.85 0.00 3.15 6.02 -1.26 -2.28 117.38 120.54 2aff n GLN 47 Ca 0.08 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2aff n GLN 47 Cb 0.13 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.25 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 -1.58 0.00 -3.71 1.08 -0.00 -0.99 -3.91 115.22 106.11 2aff n HIS 48 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 2aff n HIS 48 Cb 0.23 0.00 -0.08 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 -1.78 0.25 -0.10 0.00 2.20 -0.38 0.52 119.74 120.45 2aff s LYS 50 Ca -0.10 -0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.23 2aff s LYS 50 Cb -0.03 -0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.15 2aff s LYS 50 CO 0.02 0.03 -0.14 0.42 -0.36 0.00 0.00 175.35 175.32 2aff s ILE 51 N -0.54 3.01 -0.17 5.43 1.01 0.15 0.39 121.20 130.47 2aff s ILE 51 Ca -0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 2aff s ILE 51 Cb -0.04 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 2aff s ILE 51 CO -0.00 0.55 -0.12 -0.70 0.00 0.00 0.00 174.94 174.67 2aff s GLU 52 N 0.02 3.30 -0.27 2.79 2.12 0.27 -1.44 118.70 125.49 2aff s GLU 52 Ca -0.04 -0.70 -0.08 0.00 0.36 0.00 0.00 54.97 54.51 2aff s GLU 52 Cb -0.14 -2.74 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 2aff s GLU 52 CO 0.04 -0.01 0.09 0.42 -0.54 0.00 0.00 175.26 175.26 2aff s ILE 53 N 0.93 4.35 -0.07 -3.70 1.01 0.17 -0.98 121.20 122.91 2aff s ILE 53 Ca -0.02 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.38 2aff s ILE 53 Cb -0.15 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2aff s ILE 53 CO -0.01 0.26 -0.12 -1.00 0.00 0.00 0.00 174.94 174.07 2aff s HIS 54 N 1.61 2.79 0.44 3.97 3.76 0.07 -4.89 115.29 123.04 2aff s HIS 54 Ca 0.06 -0.17 0.33 0.00 -0.15 0.00 0.00 55.06 55.13 2aff s HIS 54 Cb -0.16 -1.69 1.48 0.00 1.11 0.00 0.00 32.58 33.33 2aff s HIS 54 CO 0.04 0.17 1.53 0.39 -0.85 0.00 0.00 174.74 176.03 2aff n GLU 55 N 2.47 -0.03 0.10 1.40 1.02 -1.26 -0.07 120.64 124.27 2aff n GLU 55 Ca -0.17 1.22 -0.04 0.00 -0.02 0.00 0.00 57.16 58.15 2aff n GLU 55 Cb 0.52 -2.43 -0.02 0.00 -0.02 0.00 0.00 31.44 29.50 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 -0.24 0.00 3.49 4.20 -2.02 -3.48 115.11 117.06 2aff h GLN 56 Ca 0.87 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.57 2aff h GLN 56 Cb 2.85 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 30.68 2aff h GLN 56 CO -0.43 -0.16 -0.00 -0.85 -0.67 0.00 0.00 178.83 176.72 2aff n GLU 57 N -2.67 0.11 -4.43 1.46 -0.00 0.90 -5.16 120.64 110.85 2aff n GLU 57 Ca -0.03 -0.34 -0.34 0.00 -0.00 0.00 0.00 57.16 56.45 2aff n GLU 57 Cb 0.10 0.35 -0.13 0.00 -0.00 0.00 0.00 31.44 31.76 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2aff s ALA 58 N -1.55 2.93 -0.12 -1.84 0.00 -1.26 -0.75 121.76 119.17 2aff s ALA 58 Ca 0.03 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.15 2aff s ALA 58 Cb -0.00 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 2aff s ALA 58 CO 0.02 0.17 -0.18 0.42 0.00 0.00 0.00 175.76 176.19 2aff s ILE 59 N 0.45 2.59 -0.20 0.00 1.01 -0.15 0.16 121.20 125.06 2aff s ILE 59 Ca -0.05 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 2aff s ILE 59 Cb -0.15 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 2aff s ILE 59 CO 0.03 0.54 0.21 -0.22 0.00 0.00 0.00 174.94 175.50 2aff s LEU 60 N 0.43 4.19 -0.10 2.97 2.96 -0.46 -0.56 118.68 128.11 2aff s LEU 60 Ca -0.13 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 2aff s LEU 60 Cb -0.17 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 2aff s LEU 60 CO 0.06 0.10 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.08 2aff s HIS 61 N 0.66 2.83 -0.42 5.38 3.76 0.16 -2.36 115.29 125.30 2aff s HIS 61 Ca 0.11 -0.34 -0.16 0.00 -0.15 0.00 0.00 55.06 54.52 2aff s HIS 61 Cb -0.13 -1.77 0.02 0.00 1.11 0.00 0.00 32.58 31.82 2aff s HIS 61 CO 0.02 0.02 0.38 1.21 -0.85 0.00 0.00 174.74 175.52 2aff s ASN 62 N -0.16 6.15 0.00 1.40 3.84 -1.26 -1.24 114.94 123.66 2aff s ASN 62 Ca 0.00 -0.83 0.23 0.00 0.21 0.00 0.00 52.86 52.48 2aff s ASN 62 Cb -0.13 -2.19 0.13 0.00 -0.55 0.00 0.00 41.25 38.51 2aff s ASN 62 CO 0.03 -0.53 1.18 0.49 -2.79 0.00 0.00 177.10 175.48 2aff n PHE 63 N 5.38 0.00 -3.15 0.43 3.01 -0.55 -4.86 117.46 117.73 2aff n PHE 63 Ca -0.09 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.94 2aff n PHE 63 Cb 0.47 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.86 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 -2.39 6.30 -0.07 4.37 0.15 0.27 -4.63 113.70 117.71 2aff s SER 64 Ca 0.21 -0.38 0.15 0.00 0.70 0.00 0.00 55.95 56.64 2aff s SER 64 Cb 0.19 -2.30 -0.22 0.00 -1.71 0.00 0.00 66.02 61.97 2aff s SER 64 CO 0.52 -0.72 0.51 -1.54 1.20 0.00 0.00 173.24 173.20 2aff n SER 65 N 6.11 0.57 -0.14 5.45 3.41 -1.26 -3.32 113.62 124.44 2aff n SER 65 Ca -0.03 0.26 -0.10 0.00 -0.26 0.00 0.00 58.87 58.75 2aff n SER 65 Cb 0.48 0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.81 2aff n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2aff h THR 66 N 0.00 1.25 -2.02 6.66 2.02 -1.98 -3.41 112.91 115.43 2aff h THR 66 Ca -0.33 -0.92 -0.25 0.00 0.77 0.00 0.00 66.41 65.68 2aff h THR 66 Cb 1.96 1.04 -0.31 0.00 -1.74 0.00 0.00 68.15 69.09 2aff h THR 66 CO 0.05 0.32 -0.57 0.20 0.37 0.00 0.00 175.52 175.89 2aff s ASN 67 N -6.14 0.95 0.71 4.18 0.01 -1.26 -5.16 114.94 108.23 2aff s ASN 67 Ca -0.13 -0.34 -0.12 0.00 -0.71 0.00 0.00 52.86 51.56 2aff s ASN 67 Cb 0.10 0.80 0.03 0.00 0.41 0.00 0.00 41.25 42.58 2aff s ASN 67 CO 0.79 -0.35 1.09 -2.16 -1.51 0.00 0.00 177.10 174.96 2aff s PRO 68 N 2.45 2.60 0.29 -0.60 0.04 -1.21 -4.69 135.00 133.88 2aff s PRO 68 Ca 0.10 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.04 2aff s PRO 68 Cb -0.14 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 2aff s PRO 68 CO -0.25 -1.38 1.13 0.99 0.04 0.00 0.00 177.00 177.54 2aff s THR 69 N -2.74 3.35 -0.06 1.26 2.01 -1.26 -4.79 115.64 113.41 2aff s THR 69 Ca 0.62 1.36 -0.03 0.00 0.31 0.00 0.00 61.69 63.95 2aff s THR 69 Cb -0.17 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2aff s THR 69 CO 0.50 0.32 0.10 -1.10 -0.69 0.00 0.00 174.62 173.76 2aff s GLN 70 N -1.51 3.23 -0.01 4.92 -0.21 0.31 -0.94 119.66 125.45 2aff s GLN 70 Ca 0.45 -0.32 0.03 0.00 0.02 0.00 0.00 55.36 55.54 2aff s GLN 70 Cb -0.33 -3.00 -0.00 0.00 1.00 0.00 0.00 33.01 30.68 2aff s GLN 70 CO 0.43 0.71 -0.10 0.54 -2.12 0.00 0.00 175.29 174.75 2aff s VAL 71 N -1.09 0.81 -1.06 1.09 0.11 0.43 0.29 120.40 120.99 2aff s VAL 71 Ca 0.19 -0.42 -0.03 0.00 -2.93 0.00 0.00 61.98 58.79 2aff s VAL 71 Cb -0.12 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 2aff s VAL 71 CO 0.09 0.24 0.16 0.59 -3.33 0.00 0.00 175.10 172.85 2aff n ASN 72 N 2.98 -3.69 -0.88 3.54 3.02 -0.97 0.13 115.26 119.38 2aff n ASN 72 Ca -0.15 0.03 -0.08 0.00 -0.03 0.00 0.00 54.58 54.35 2aff n ASN 72 Cb 0.56 -3.12 -0.00 0.00 -0.61 0.00 0.00 39.78 36.61 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 -0.91 0.05 2.86 7.41 0.00 -1.26 -5.04 105.19 108.30 2aff n GLY 73 Ca -0.09 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.65 -0.00 0.30 1.61 0.01 0.36 -5.11 113.70 108.21 2aff s SER 74 Ca 0.00 0.07 -0.29 0.00 1.31 0.00 0.00 55.95 57.03 2aff s SER 74 Cb -0.00 0.03 -0.11 0.00 0.21 0.00 0.00 66.02 66.15 2aff s SER 74 CO 0.00 -0.05 1.45 -0.69 0.41 0.00 0.00 173.24 174.35 2aff s VAL 75 N 0.41 2.44 -0.38 3.43 1.01 -1.26 0.16 120.40 126.20 2aff s VAL 75 Ca -0.03 0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.21 2aff s VAL 75 Cb -0.05 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.10 2aff s VAL 75 CO -0.01 0.08 0.25 -0.63 0.00 0.00 0.00 175.10 174.79 2aff s ILE 76 N -0.49 4.97 0.12 2.22 1.01 -0.12 -4.85 121.20 124.06 2aff s ILE 76 Ca 0.56 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 2aff s ILE 76 Cb -0.43 -3.74 -0.19 0.00 0.01 0.00 0.00 42.46 38.11 2aff s ILE 76 CO 0.50 -0.23 1.29 -2.24 0.00 0.00 0.00 174.94 174.26 2aff h ASP 77 N 8.53 0.66 -4.45 3.58 2.03 -1.94 -3.41 116.42 121.42 2aff h ASP 77 Ca -0.27 -0.51 -0.44 0.00 -0.73 0.00 0.00 57.03 55.07 2aff h ASP 77 Cb 1.12 -0.20 -0.10 0.00 -0.83 0.00 0.00 39.33 39.31 2aff h ASP 77 CO 0.69 1.31 -0.39 -0.62 -1.03 0.00 0.00 179.24 179.20 2aff n GLU 78 N -3.80 0.56 -1.75 4.15 1.02 -1.26 -5.00 120.64 114.56 2aff n GLU 78 Ca -0.08 -2.84 -0.39 0.00 -0.02 0.00 0.00 57.16 53.83 2aff n GLU 78 Cb 0.83 1.75 0.03 0.00 -0.02 0.00 0.00 31.44 34.03 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 -0.70 1.90 -3.86 3.49 -0.02 -1.26 -4.80 135.00 129.76 2aff n PRO 79 Ca -0.02 0.69 -0.12 0.00 -2.02 0.00 0.00 63.50 62.03 2aff n PRO 79 Cb 0.51 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 31.28 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 -1.25 0.01 0.20 -1.45 -7.23 -0.99 -5.01 120.40 104.68 2aff s VAL 80 Ca 0.67 -0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 60.43 2aff s VAL 80 Cb -0.43 -0.15 -0.08 0.00 0.56 0.00 0.00 36.38 36.27 2aff s VAL 80 CO 0.53 -0.06 1.11 -0.13 -0.31 0.00 0.00 175.10 176.24 2aff s ARG 81 N -0.16 4.59 -0.03 4.82 0.52 -1.26 -1.35 118.95 126.08 2aff s ARG 81 Ca -0.02 1.75 -0.17 0.00 -0.52 0.00 0.00 55.73 56.78 2aff s ARG 81 Cb -0.02 -3.25 -0.05 0.00 0.52 0.00 0.00 34.95 32.15 2aff s ARG 81 CO 0.00 0.09 0.45 -0.51 0.02 0.00 0.00 175.30 175.35 2aff s LEU 82 N -0.60 4.41 0.17 2.53 1.43 0.43 -4.91 118.68 122.13 2aff s LEU 82 Ca 0.49 0.95 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 2aff s LEU 82 Cb -0.30 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2aff s LEU 82 CO 0.36 0.21 -0.18 -0.75 0.23 0.00 0.00 176.35 176.22 2aff s LYS 83 N -0.48 1.27 0.01 1.70 2.20 -1.26 -4.15 119.74 119.02 2aff s LYS 83 Ca 0.25 -1.41 -0.32 0.00 -0.36 0.00 0.00 55.97 54.12 2aff s LYS 83 Cb -0.16 -1.30 -0.11 0.00 -1.51 0.00 0.00 37.83 34.75 2aff s LYS 83 CO 0.13 0.26 1.88 1.58 -0.36 0.00 0.00 175.35 178.84 2aff n HIS 84 N 0.25 2.44 0.00 4.03 -0.00 -1.26 -1.13 115.22 119.55 2aff n HIS 84 Ca -0.13 -0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.47 2aff n HIS 84 Cb 0.57 -2.71 0.00 0.00 -0.00 0.00 0.00 29.99 27.85 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 4.33 2.48 3.72 1.57 0.00 -1.03 -4.95 105.19 111.32 2aff n GLY 85 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.21 6.59 -0.15 1.61 -1.08 -0.28 -4.83 116.67 117.32 2aff s ASP 86 Ca 0.00 2.64 -0.03 0.00 -0.52 0.00 0.00 52.55 54.64 2aff s ASP 86 Cb 0.00 -2.60 -0.03 0.00 -1.46 0.00 0.00 42.92 38.83 2aff s ASP 86 CO 0.00 -0.80 -0.03 -0.69 0.52 0.00 0.00 175.17 174.16 2aff s VAL 87 N 0.85 3.93 -0.13 1.11 1.01 -1.26 -1.99 120.40 123.91 2aff s VAL 87 Ca 0.68 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 2aff s VAL 87 Cb -0.44 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2aff s VAL 87 CO 0.34 0.50 0.50 -0.63 0.00 0.00 0.00 175.10 175.82 2aff s ILE 88 N 0.25 5.16 -0.12 2.22 1.01 -0.10 -2.30 121.20 127.32 2aff s ILE 88 Ca -0.03 0.99 0.02 0.00 0.00 0.00 0.00 60.65 61.63 2aff s ILE 88 Cb -0.14 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.51 2aff s ILE 88 CO 0.03 0.29 -0.17 -0.89 0.00 0.00 0.00 174.94 174.20 2aff s THR 89 N 0.83 1.66 -0.18 2.92 2.01 0.83 0.58 115.64 124.29 2aff s THR 89 Ca 0.26 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 2aff s THR 89 Cb -0.15 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 70.86 2aff s THR 89 CO 0.11 0.47 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.74 2aff s ILE 90 N 0.92 2.72 0.00 1.82 1.01 0.49 0.11 121.20 128.27 2aff s ILE 90 Ca -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2aff s ILE 90 Cb -0.15 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.14 2aff s ILE 90 CO -0.01 0.50 0.00 -0.38 0.00 0.00 0.00 174.94 175.05 2aff n ILE 91 N 4.35 0.00 -0.51 2.92 5.41 -1.26 0.18 119.36 130.45 2aff n ILE 91 Ca -0.19 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.61 2aff n ILE 91 Cb 0.51 0.00 0.09 0.00 -0.71 0.00 0.00 39.64 39.53 2aff n ILE 91 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2aff n ASP 92 N 4.25 2.38 -4.29 4.38 5.75 -1.26 -5.00 116.55 122.76 2aff n ASP 92 Ca 0.00 -2.50 -0.28 0.00 -0.01 0.00 0.00 54.79 52.00 2aff n ASP 92 Cb 0.00 -0.23 -0.15 0.00 -1.03 0.00 0.00 41.12 39.71 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 -1.87 1.62 0.03 0.11 0.52 0.48 -4.90 118.95 114.94 2aff s ARG 93 Ca 0.18 -0.98 -0.00 0.00 -0.52 0.00 0.00 55.73 54.41 2aff s ARG 93 Cb 0.15 -1.73 -0.03 0.00 0.52 0.00 0.00 34.95 33.86 2aff s ARG 93 CO 0.03 0.45 -0.03 -1.54 0.02 0.00 0.00 175.30 174.23 2aff s SER 94 N -1.08 0.37 -0.16 0.23 1.04 -1.26 0.19 113.70 113.03 2aff s SER 94 Ca 0.09 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 55.88 2aff s SER 94 Cb -0.09 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.17 2aff s SER 94 CO 0.01 -0.38 -0.17 -0.36 0.98 0.00 0.00 173.24 173.32 2aff s PHE 95 N -2.19 2.42 -0.06 5.02 0.40 0.19 -2.30 117.98 121.47 2aff s PHE 95 Ca -0.09 -1.37 -0.27 0.00 -0.60 0.00 0.00 56.93 54.60 2aff s PHE 95 Cb -0.05 -1.72 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 2aff s PHE 95 CO -0.03 -0.70 0.87 0.50 0.70 0.00 0.00 175.22 176.55 2aff s ARG 96 N 1.32 4.47 -0.20 0.44 3.52 -0.72 -0.93 118.95 126.86 2aff s ARG 96 Ca 0.03 1.18 -0.12 0.00 -0.13 0.00 0.00 55.73 56.69 2aff s ARG 96 Cb -0.13 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.73 2aff s ARG 96 CO -0.10 -0.07 0.24 -0.47 -0.81 0.00 0.00 175.30 174.08 2aff s TYR 97 N 1.19 3.40 -0.09 5.12 5.04 -0.84 -1.58 117.35 129.59 2aff s TYR 97 Ca 0.45 0.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 2aff s TYR 97 Cb -0.19 -2.31 0.02 0.00 0.35 0.00 0.00 41.96 39.83 2aff s TYR 97 CO 0.22 0.16 -0.07 -1.21 -1.34 0.00 0.00 175.55 173.30 2aff s GLU 98 N 0.74 1.37 -0.40 4.97 2.02 -0.72 -2.47 118.70 124.21 2aff s GLU 98 Ca 0.13 -0.23 -0.02 0.00 0.02 0.00 0.00 54.97 54.86 2aff s GLU 98 Cb -0.13 -1.37 0.11 0.00 0.10 0.00 0.00 34.13 32.84 2aff s GLU 98 CO 0.03 -0.17 0.19 1.21 0.02 0.00 0.00 175.26 176.54 2aff s ASN 99 N 1.37 5.21 0.00 -0.19 3.84 -1.26 -1.62 114.94 122.29 2aff s ASN 99 Ca -0.02 -2.04 0.06 0.00 0.21 0.00 0.00 52.86 51.08 2aff s ASN 99 Cb -0.14 -1.81 0.38 0.00 -0.55 0.00 0.00 41.25 39.13 2aff s ASN 99 CO -0.04 -0.53 0.84 -0.62 -2.79 0.00 0.00 177.10 173.97