#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 0.24 -3.19 3.45 -2.24 -1.26 -4.94 114.28 106.33 2aff n THR 4 Ca 0.00 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 2aff n THR 4 Cb 0.00 -0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 67.62 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 -2.18 3.32 -0.06 -0.78 0.52 -1.26 -2.93 118.95 115.58 2aff s ARG 5 Ca -0.02 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.81 2aff s ARG 5 Cb 0.02 -3.92 0.01 0.00 0.52 0.00 0.00 34.95 31.58 2aff s ARG 5 CO 0.20 -0.88 -0.14 0.50 0.02 0.00 0.00 175.30 175.00 2aff s ARG 6 N 2.54 1.83 -0.10 3.54 3.52 0.78 -1.87 118.95 129.18 2aff s ARG 6 Ca 0.19 -0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 55.29 2aff s ARG 6 Cb -0.15 -1.51 -0.03 0.00 -1.56 0.00 0.00 34.95 31.70 2aff s ARG 6 CO 0.16 0.09 -0.06 -0.51 -0.81 0.00 0.00 175.30 174.17 2aff s LEU 7 N 0.49 3.18 -0.24 -0.88 1.43 -0.82 -1.54 118.68 120.30 2aff s LEU 7 Ca -0.13 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 2aff s LEU 7 Cb -0.15 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2aff s LEU 7 CO 0.04 0.28 0.06 -0.69 0.23 0.00 0.00 176.35 176.27 2aff s VAL 8 N -0.31 4.22 0.27 -1.59 1.01 -0.90 -0.86 120.40 122.24 2aff s VAL 8 Ca 0.05 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 2aff s VAL 8 Cb -0.13 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 2aff s VAL 8 CO 0.02 0.35 1.01 0.42 0.00 0.00 0.00 175.10 176.91 2aff s THR 9 N 1.55 3.83 -0.18 3.92 -4.23 -0.84 -2.21 115.64 117.48 2aff s THR 9 Ca 0.06 1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 62.28 2aff s THR 9 Cb -0.15 -4.11 -0.04 0.00 1.34 0.00 0.00 72.50 69.54 2aff s THR 9 CO 0.03 0.38 0.06 -0.63 -0.54 0.00 0.00 174.62 173.92 2aff s ILE 10 N -1.25 4.78 0.45 2.99 -1.09 -0.74 -2.16 121.20 124.19 2aff s ILE 10 Ca 0.44 -0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.70 2aff s ILE 10 Cb -0.27 -3.15 -0.07 0.00 -1.58 0.00 0.00 42.46 37.39 2aff s ILE 10 CO 0.34 0.47 0.85 -0.54 -1.23 0.00 0.00 174.94 174.83 2aff s LYS 11 N 0.33 3.82 0.42 2.79 1.02 0.60 -4.33 119.74 124.39 2aff s LYS 11 Ca 0.03 0.63 0.12 0.00 0.02 0.00 0.00 55.97 56.77 2aff s LYS 11 Cb -0.12 -2.30 0.96 0.00 -0.52 0.00 0.00 37.83 35.85 2aff s LYS 11 CO 0.00 -0.14 1.97 0.00 -0.92 0.00 0.00 175.35 176.27 2aff h ARG 12 N 1.06 0.48 0.00 1.68 3.08 -1.87 0.59 114.38 119.40 2aff h ARG 12 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2aff h ARG 12 Cb 1.19 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2aff h ARG 12 CO 0.63 0.31 0.00 0.43 -1.07 0.00 0.00 179.97 180.27 2aff n SER 13 N -4.48 0.00 -0.06 7.04 7.64 -1.26 -4.86 113.62 117.65 2aff n SER 13 Ca 0.10 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2aff n SER 13 Cb 0.34 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aff n GLY 14 N 0.88 1.10 3.41 0.23 0.00 0.21 -5.08 105.19 105.94 2aff n GLY 14 Ca 0.11 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.11 3.15 0.21 1.61 1.01 -1.23 -4.82 120.40 118.22 2aff s VAL 15 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 2aff s VAL 15 Cb 0.00 -2.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.99 2aff s VAL 15 CO 0.00 0.54 1.17 -1.81 0.00 0.00 0.00 175.10 175.00 2aff s ASP 16 N 0.10 7.13 0.00 3.32 1.01 -1.26 -0.29 116.67 126.68 2aff s ASP 16 Ca -0.05 2.24 0.00 0.00 0.71 0.00 0.00 52.55 55.45 2aff s ASP 16 Cb -0.15 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.04 -0.32 0.00 0.61 0.21 0.00 0.00 175.17 175.72 2aff n GLY 17 N 1.93 2.84 3.77 0.21 0.00 -0.92 -4.93 105.19 108.09 2aff n GLY 17 Ca 0.03 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 2.60 4.17 -0.20 1.61 0.04 -1.26 -4.72 135.00 137.23 2aff s PRO 18 Ca 0.00 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 2aff s PRO 18 Cb 0.00 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 2aff s PRO 18 CO 0.00 -0.23 -0.03 -1.01 0.04 0.00 0.00 177.00 175.78 2aff s HIS 19 N -1.36 2.99 -0.43 0.56 3.76 -1.26 -1.98 115.29 117.56 2aff s HIS 19 Ca 0.55 -0.66 -0.16 0.00 -0.15 0.00 0.00 55.06 54.63 2aff s HIS 19 Cb -0.31 -2.08 0.03 0.00 1.11 0.00 0.00 32.58 31.33 2aff s HIS 19 CO 0.40 -0.37 0.40 0.12 -0.85 0.00 0.00 174.74 174.44 2aff s PHE 20 N 1.16 3.19 0.23 1.40 5.36 -0.04 -4.85 117.98 124.43 2aff s PHE 20 Ca 0.02 -0.53 -0.30 0.00 -0.96 0.00 0.00 56.93 55.17 2aff s PHE 20 Cb -0.15 -2.88 -0.09 0.00 -0.34 0.00 0.00 43.02 39.57 2aff s PHE 20 CO 0.00 -0.70 0.97 -1.25 -1.46 0.00 0.00 175.22 172.78 2aff s PRO 21 N 1.96 4.80 -0.51 10.12 0.04 -1.26 -1.94 135.00 148.21 2aff s PRO 21 Ca 0.09 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 2aff s PRO 21 Cb -0.19 -3.28 0.09 0.00 0.04 0.00 0.00 34.50 31.16 2aff s PRO 21 CO 0.11 0.42 2.69 1.28 0.04 0.00 0.00 177.00 181.54 2aff n LEU 22 N 1.66 6.60 0.24 -3.56 4.77 -0.78 -4.52 117.00 121.40 2aff n LEU 22 Ca -0.01 -4.16 0.16 0.00 -0.03 0.00 0.00 56.01 51.97 2aff n LEU 22 Cb 0.47 -1.22 0.79 0.00 -2.33 0.00 0.00 43.42 41.14 2aff n LEU 22 CO 0.51 1.74 0.98 -1.28 -1.33 0.00 0.00 177.39 178.01 2aff h SER 23 N 3.02 0.00 -3.70 -1.43 0.87 -1.93 -3.42 113.55 106.97 2aff h SER 23 Ca 0.41 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.47 2aff h SER 23 Cb 0.64 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2aff h SER 23 CO 0.94 0.00 0.39 -0.76 -0.53 0.00 0.00 176.83 176.87 2aff s LEU 24 N -5.35 4.59 0.61 2.23 1.43 -1.26 -4.93 118.68 115.99 2aff s LEU 24 Ca -0.01 1.98 0.35 0.00 -1.03 0.00 0.00 54.13 55.42 2aff s LEU 24 Cb 0.09 -3.61 1.98 0.00 0.03 0.00 0.00 46.19 44.69 2aff s LEU 24 CO 0.37 0.03 2.26 0.28 0.23 0.00 0.00 176.35 179.52 2aff h SER 25 N 4.49 0.00 -3.73 2.29 0.02 -1.93 -3.41 113.55 111.28 2aff h SER 25 Ca -0.45 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.11 2aff h SER 25 Cb 1.21 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.43 2aff h SER 25 CO 0.69 0.02 -0.77 -0.89 -1.14 0.00 0.00 176.83 174.73 2aff s THR 26 N -4.35 0.62 -0.16 -2.27 2.01 -1.26 -1.16 115.64 109.07 2aff s THR 26 Ca -0.04 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2aff s THR 26 Cb 0.14 -0.57 0.03 0.00 0.01 0.00 0.00 72.50 72.10 2aff s THR 26 CO 0.50 0.21 -0.13 0.00 -0.69 0.00 0.00 174.62 174.51 2aff s LEU 28 N 1.46 2.57 -0.07 0.00 2.96 -1.26 -0.64 118.68 123.69 2aff s LEU 28 Ca 0.03 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2aff s LEU 28 Cb -0.14 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2aff s LEU 28 CO -0.10 0.19 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.68 2aff s PHE 29 N 0.17 2.89 0.00 5.38 0.40 0.64 0.12 117.98 127.59 2aff s PHE 29 Ca -0.09 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 2aff s PHE 29 Cb -0.15 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.66 2aff s PHE 29 CO 0.05 0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.65 2aff n GLY 30 N 2.37 0.16 0.19 4.36 0.00 -0.85 -2.51 105.19 108.91 2aff n GLY 30 Ca -0.18 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 0.28 -6.61 1.61 3.08 -1.42 -3.16 114.38 108.17 2aff h ARG 31 Ca 0.00 -0.16 -0.58 0.00 0.07 0.00 0.00 59.98 59.31 2aff h ARG 31 Cb 0.00 0.01 0.16 0.00 0.08 0.00 0.00 29.97 30.22 2aff h ARG 31 CO 0.00 0.71 -0.12 0.41 -1.07 0.00 0.00 179.97 179.90 2aff n GLY 32 N 0.02 -0.88 0.29 0.04 0.00 -0.92 -4.86 105.19 98.89 2aff n GLY 32 Ca -0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 0.65 1.27 -0.11 -0.61 6.09 -1.89 -1.62 117.51 121.29 2aff h ILE 33 Ca -0.46 -1.31 0.03 0.00 -1.37 0.00 0.00 64.86 61.76 2aff h ILE 33 Cb 1.38 1.02 -0.00 0.00 0.47 0.00 0.00 36.82 39.68 2aff h ILE 33 CO 0.51 0.46 0.37 -0.33 -3.07 0.00 0.00 178.15 176.09 2aff h GLU 34 N 0.89 0.00 -6.24 2.19 5.08 -1.94 -3.41 114.58 111.15 2aff h GLU 34 Ca 0.13 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.88 2aff h GLU 34 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.98 2aff h GLU 34 CO 0.05 0.00 1.18 0.00 -1.00 0.00 0.00 179.01 179.24 2aff h ASP 36 N 10.12 0.32 -3.13 0.00 3.32 0.72 -3.35 116.42 124.42 2aff h ASP 36 Ca -0.47 -0.01 -0.62 0.00 0.02 0.00 0.00 57.03 55.96 2aff h ASP 36 Cb 1.27 -0.08 -0.35 0.00 0.22 0.00 0.00 39.33 40.39 2aff h ASP 36 CO 0.95 0.23 -0.84 -0.63 -1.72 0.00 0.00 179.24 177.23 2aff s ILE 37 N -5.36 1.68 -0.11 0.35 1.01 0.24 -4.95 121.20 114.06 2aff s ILE 37 Ca -0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 2aff s ILE 37 Cb 0.17 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 2aff s ILE 37 CO 0.71 0.48 -0.04 -0.60 0.00 0.00 0.00 174.94 175.49 2aff s ARG 38 N 1.35 3.23 -0.10 2.79 3.52 -1.26 -2.00 118.95 126.48 2aff s ARG 38 Ca 0.03 -0.50 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 2aff s ARG 38 Cb -0.13 -2.78 -0.00 0.00 -1.56 0.00 0.00 34.95 30.47 2aff s ARG 38 CO -0.10 0.48 -0.24 0.42 -0.81 0.00 0.00 175.30 175.05 2aff s ILE 39 N -0.28 2.08 -0.43 4.11 1.01 -1.19 -4.96 121.20 121.54 2aff s ILE 39 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2aff s ILE 39 Cb -0.13 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2aff s ILE 39 CO 0.02 0.56 0.59 0.00 0.00 0.00 0.00 174.94 176.12 2aff n GLN 40 N 3.49 0.76 -3.10 2.79 6.02 -1.26 -4.42 117.38 121.66 2aff n GLN 40 Ca -0.19 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.40 2aff n GLN 40 Cb 0.53 -1.23 -0.06 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 4.14 0.01 1.08 1.43 -1.26 -4.94 118.68 119.14 2aff s LEU 41 Ca 0.00 0.85 0.19 0.00 -1.03 0.00 0.00 54.13 54.14 2aff s LEU 41 Cb 0.00 -2.91 0.83 0.00 0.03 0.00 0.00 46.19 44.14 2aff s LEU 41 CO 0.00 -0.29 1.62 -0.81 0.23 0.00 0.00 176.35 177.10 2aff n PRO 42 N 5.10 0.01 -0.28 1.29 -0.04 -1.26 -2.33 135.00 137.48 2aff n PRO 42 Ca -0.01 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2aff n PRO 42 Cb 0.50 -1.51 0.28 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.52 0.74 -3.96 0.52 0.24 -1.26 -4.90 118.33 108.19 2aff n VAL 43 Ca 0.05 -0.82 -0.37 0.00 -2.04 0.00 0.00 64.34 61.16 2aff n VAL 43 Cb 0.23 0.60 -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 -1.26 5.29 0.97 3.34 1.01 -0.99 -4.88 120.40 123.88 2aff s VAL 44 Ca 0.42 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 2aff s VAL 44 Cb 0.23 -3.30 0.17 0.00 0.00 0.00 0.00 36.38 33.48 2aff s VAL 44 CO 0.31 0.61 1.15 -0.44 0.00 0.00 0.00 175.10 176.72 2aff s SER 45 N -0.94 2.99 0.20 3.32 0.01 -1.26 -4.61 113.70 113.40 2aff s SER 45 Ca 0.14 0.87 -0.11 0.00 1.31 0.00 0.00 55.95 58.17 2aff s SER 45 Cb -0.12 -1.36 0.13 0.00 0.21 0.00 0.00 66.02 64.87 2aff s SER 45 CO 0.03 -2.87 1.82 0.11 0.41 0.00 0.00 173.24 172.75 2aff h LYS 46 N -1.72 0.96 0.00 12.44 1.57 -1.94 -2.49 116.57 125.40 2aff h LYS 46 Ca -0.50 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2aff h LYS 46 Cb 1.32 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2aff h LYS 46 CO 0.55 0.71 -0.96 1.04 -0.57 0.00 0.00 179.45 180.23 2aff n GLN 47 N -4.51 1.95 0.00 3.15 6.02 -1.26 -2.15 117.38 120.58 2aff n GLN 47 Ca 0.06 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2aff n GLN 47 Cb 0.08 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.53 0.00 -4.44 1.08 -0.00 -1.08 -3.82 115.22 105.42 2aff n HIS 48 Ca -0.00 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.97 2aff n HIS 48 Cb 0.17 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.89 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 1.36 -0.06 0.00 2.20 -0.44 -0.26 119.74 122.51 2aff s LYS 50 Ca 0.00 -0.41 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 2aff s LYS 50 Cb -0.07 -1.20 -0.01 0.00 -1.51 0.00 0.00 37.83 35.04 2aff s LYS 50 CO 0.00 0.12 -0.22 0.42 -0.36 0.00 0.00 175.35 175.31 2aff s ILE 51 N 0.29 2.34 -0.15 5.43 1.01 0.19 0.74 121.20 131.04 2aff s ILE 51 Ca -0.06 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 2aff s ILE 51 Cb -0.11 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 2aff s ILE 51 CO 0.02 0.57 -0.10 -1.61 0.00 0.00 0.00 174.94 173.82 2aff s GLU 52 N -0.21 3.43 -0.23 2.79 0.41 -0.53 -2.01 118.70 122.36 2aff s GLU 52 Ca -0.02 -0.64 -0.10 0.00 -0.41 0.00 0.00 54.97 53.80 2aff s GLU 52 Cb -0.13 -2.76 -0.05 0.00 -1.78 0.00 0.00 34.13 29.41 2aff s GLU 52 CO 0.03 0.13 0.15 0.42 -0.49 0.00 0.00 175.26 175.50 2aff s ILE 53 N 0.59 5.28 -0.03 -1.63 -1.09 -0.31 -1.98 121.20 122.03 2aff s ILE 53 Ca -0.06 0.15 0.03 0.00 -2.23 0.00 0.00 60.65 58.54 2aff s ILE 53 Cb -0.15 -3.45 -0.00 0.00 -1.58 0.00 0.00 42.46 37.28 2aff s ILE 53 CO 0.03 0.36 -0.12 -1.00 -1.23 0.00 0.00 174.94 172.99 2aff s HIS 54 N 0.95 1.17 0.57 3.97 3.76 -0.38 -4.92 115.29 120.41 2aff s HIS 54 Ca 0.07 -0.30 0.44 0.00 -0.15 0.00 0.00 55.06 55.13 2aff s HIS 54 Cb -0.13 -0.81 1.54 0.00 1.11 0.00 0.00 32.58 34.29 2aff s HIS 54 CO 0.03 -0.11 1.53 1.49 -0.85 0.00 0.00 174.74 176.84 2aff h GLU 55 N 6.28 0.00 0.12 1.40 4.81 -2.02 0.23 114.58 125.41 2aff h GLU 55 Ca -0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 2aff h GLU 55 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2aff h GLU 55 CO 0.48 0.00 -0.06 0.37 -0.73 0.00 0.00 179.01 179.08 2aff h GLN 56 N 0.00 -0.16 0.00 1.92 4.15 -2.01 -3.49 115.11 115.52 2aff h GLN 56 Ca 0.81 0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.24 2aff h GLN 56 Cb 3.48 0.04 0.00 0.00 0.21 0.00 0.00 27.48 31.20 2aff h GLN 56 CO -0.01 -0.11 0.00 -0.85 -1.93 0.00 0.00 178.83 175.94 2aff n GLU 57 N -2.59 0.00 -5.14 1.69 0.28 0.82 -5.17 120.64 110.53 2aff n GLU 57 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.66 2aff n GLU 57 Cb 0.07 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.78 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2aff s ALA 58 N -1.08 2.30 -0.10 -1.84 0.00 -1.26 -1.25 121.76 118.53 2aff s ALA 58 Ca 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2aff s ALA 58 Cb 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 2aff s ALA 58 CO 0.00 0.41 -0.24 0.42 0.00 0.00 0.00 175.76 176.35 2aff s ILE 59 N -0.16 2.05 -0.18 0.00 1.01 -0.84 0.75 121.20 123.84 2aff s ILE 59 Ca -0.03 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 2aff s ILE 59 Cb -0.14 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2aff s ILE 59 CO 0.04 0.56 0.44 -0.22 0.00 0.00 0.00 174.94 175.76 2aff s LEU 60 N 0.32 4.19 -0.10 2.97 2.96 0.32 -1.45 118.68 127.89 2aff s LEU 60 Ca -0.18 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 2aff s LEU 60 Cb -0.18 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 2aff s LEU 60 CO 0.09 -0.07 -0.13 -1.00 -1.32 0.00 0.00 176.35 173.92 2aff s HIS 61 N 1.14 2.78 -0.50 5.38 3.76 0.23 -2.01 115.29 126.06 2aff s HIS 61 Ca 0.22 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 54.54 2aff s HIS 61 Cb -0.15 -1.76 0.08 0.00 1.11 0.00 0.00 32.58 31.86 2aff s HIS 61 CO 0.09 -0.03 0.51 1.21 -0.85 0.00 0.00 174.74 175.67 2aff s ASN 62 N -0.12 6.18 0.00 1.40 2.47 -1.26 -1.33 114.94 122.28 2aff s ASN 62 Ca -0.01 -1.25 0.23 0.00 0.42 0.00 0.00 52.86 52.25 2aff s ASN 62 Cb -0.14 -2.23 0.05 0.00 -1.45 0.00 0.00 41.25 37.48 2aff s ASN 62 CO 0.03 -0.79 1.09 0.49 -3.72 0.00 0.00 177.10 174.20 2aff n PHE 63 N 5.64 0.00 -2.16 0.43 3.01 -0.34 -4.81 117.46 119.23 2aff n PHE 63 Ca -0.10 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.98 2aff n PHE 63 Cb 0.44 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 39.79 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 -2.97 5.47 0.10 4.37 0.01 0.06 -4.66 113.70 116.08 2aff s SER 64 Ca 0.10 -0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.27 2aff s SER 64 Cb 0.17 -2.54 -0.17 0.00 0.21 0.00 0.00 66.02 63.68 2aff s SER 64 CO 0.79 -2.29 1.23 0.77 0.41 0.00 0.00 173.24 174.15 2aff h SER 65 N 13.29 0.55 -0.10 2.44 4.64 -1.90 -3.02 113.55 129.45 2aff h SER 65 Ca -0.19 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 60.63 2aff h SER 65 Cb 1.11 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2aff h SER 65 CO 1.24 1.32 0.01 0.74 -0.87 0.00 0.00 176.83 179.27 2aff h THR 66 N 0.19 1.22 -2.62 2.95 2.02 -1.98 -3.41 112.91 111.27 2aff h THR 66 Ca -0.11 -0.68 -0.47 0.00 0.77 0.00 0.00 66.41 65.92 2aff h THR 66 Cb 1.74 1.49 -0.38 0.00 -1.74 0.00 0.00 68.15 69.25 2aff h THR 66 CO 0.19 0.19 -0.74 0.20 0.37 0.00 0.00 175.52 175.73 2aff s ASN 67 N -5.61 2.93 0.51 4.18 0.01 -1.24 -5.14 114.94 110.58 2aff s ASN 67 Ca -0.14 -1.09 -0.22 0.00 -0.71 0.00 0.00 52.86 50.70 2aff s ASN 67 Cb 0.05 -0.10 -0.07 0.00 0.41 0.00 0.00 41.25 41.55 2aff s ASN 67 CO 0.69 -0.42 1.21 -2.65 -1.51 0.00 0.00 177.10 174.43 2aff n PRO 68 N 5.27 1.54 -2.39 -0.60 -0.02 -1.14 -4.65 135.00 133.01 2aff n PRO 68 Ca -0.05 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 2aff n PRO 68 Cb 0.44 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.31 3.33 -0.09 3.45 2.01 -1.26 -4.73 115.64 117.04 2aff s THR 69 Ca 0.69 1.23 -0.05 0.00 0.31 0.00 0.00 61.69 63.87 2aff s THR 69 Cb -0.46 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2aff s THR 69 CO 0.52 0.22 0.13 -1.10 -0.69 0.00 0.00 174.62 173.70 2aff s GLN 70 N -1.85 3.37 -0.02 4.92 -0.21 -0.95 -1.54 119.66 123.38 2aff s GLN 70 Ca 0.50 -0.22 0.03 0.00 0.02 0.00 0.00 55.36 55.69 2aff s GLN 70 Cb -0.31 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 30.59 2aff s GLN 70 CO 0.40 0.74 -0.10 0.08 -2.12 0.00 0.00 175.29 174.29 2aff s VAL 71 N -1.09 0.88 -1.30 1.09 1.01 0.30 0.13 120.40 121.43 2aff s VAL 71 Ca 0.18 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2aff s VAL 71 Cb -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.50 2aff s VAL 71 CO 0.07 0.27 0.14 0.59 0.00 0.00 0.00 175.10 176.18 2aff n ASN 72 N 3.18 -4.56 -0.69 3.32 3.02 -0.56 0.30 115.26 119.27 2aff n ASN 72 Ca -0.17 0.01 -0.08 0.00 -0.03 0.00 0.00 54.58 54.31 2aff n ASN 72 Cb 0.54 -3.81 -0.02 0.00 -0.61 0.00 0.00 39.78 35.88 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 -0.99 0.60 2.95 7.41 0.00 -1.26 -5.03 105.19 108.88 2aff n GLY 73 Ca -0.14 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 2aff n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aff s SER 74 N -2.82 0.78 0.32 1.61 0.15 0.15 -5.10 113.70 108.80 2aff s SER 74 Ca 0.00 -0.12 -0.29 0.00 0.70 0.00 0.00 55.95 56.25 2aff s SER 74 Cb 0.00 -0.17 -0.10 0.00 -1.71 0.00 0.00 66.02 64.04 2aff s SER 74 CO 0.00 0.04 1.28 -0.69 1.20 0.00 0.00 173.24 175.07 2aff s VAL 75 N 0.13 2.84 -0.24 4.45 1.01 -1.26 0.11 120.40 127.44 2aff s VAL 75 Ca -0.01 0.84 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 2aff s VAL 75 Cb -0.06 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.80 2aff s VAL 75 CO -0.00 0.20 -0.05 -0.63 0.00 0.00 0.00 175.10 174.62 2aff s ILE 76 N -1.12 3.07 -0.15 2.22 1.01 -0.59 -4.87 121.20 120.78 2aff s ILE 76 Ca 0.48 -0.84 0.18 0.00 0.00 0.00 0.00 60.65 60.48 2aff s ILE 76 Cb -0.39 -2.50 -0.11 0.00 0.01 0.00 0.00 42.46 39.47 2aff s ILE 76 CO 0.51 0.27 0.85 0.47 0.00 0.00 0.00 174.94 177.04 2aff n ASP 77 N 4.72 0.81 -4.41 3.58 8.00 -1.26 -4.35 116.55 123.63 2aff n ASP 77 Ca -0.17 0.34 -0.20 0.00 0.71 0.00 0.00 54.79 55.47 2aff n ASP 77 Cb 0.48 0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 41.80 2aff n ASP 77 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2aff s GLU 78 N -3.05 1.55 0.53 -1.24 -1.05 -1.26 -4.96 118.70 109.22 2aff s GLU 78 Ca -0.03 -1.83 -0.21 0.00 -0.15 0.00 0.00 54.97 52.76 2aff s GLU 78 Cb 0.09 -0.81 -0.05 0.00 -0.44 0.00 0.00 34.13 32.92 2aff s GLU 78 CO 0.81 -0.14 1.22 -1.25 0.95 0.00 0.00 175.26 176.85 2aff s PRO 79 N -3.87 3.31 0.02 -4.83 0.04 -1.26 -4.75 135.00 123.66 2aff s PRO 79 Ca 0.34 1.87 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 2aff s PRO 79 Cb 0.07 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2aff s PRO 79 CO 0.13 -0.94 0.01 0.14 0.04 0.00 0.00 177.00 176.38 2aff s VAL 80 N -1.53 0.12 -0.00 -0.36 -7.23 -0.85 -5.00 120.40 105.55 2aff s VAL 80 Ca 0.71 -1.02 -0.30 0.00 -1.81 0.00 0.00 61.98 59.56 2aff s VAL 80 Cb -0.31 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 2aff s VAL 80 CO 0.36 -0.56 1.04 -0.13 -0.31 0.00 0.00 175.10 175.50 2aff s ARG 81 N -1.92 4.51 0.21 4.82 0.52 -1.26 -0.52 118.95 125.30 2aff s ARG 81 Ca -0.11 1.50 -0.27 0.00 -0.52 0.00 0.00 55.73 56.33 2aff s ARG 81 Cb -0.06 -3.45 -0.08 0.00 0.52 0.00 0.00 34.95 31.87 2aff s ARG 81 CO -0.02 -0.14 0.84 -0.51 0.02 0.00 0.00 175.30 175.49 2aff s LEU 82 N 1.20 4.58 0.09 2.53 1.43 0.23 -4.90 118.68 123.85 2aff s LEU 82 Ca 0.53 1.76 0.06 0.00 -1.03 0.00 0.00 54.13 55.44 2aff s LEU 82 Cb -0.23 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2aff s LEU 82 CO 0.27 0.16 -0.14 -0.54 0.23 0.00 0.00 176.35 176.33 2aff s LYS 83 N -1.27 0.92 -0.05 1.70 1.02 -1.26 -4.43 119.74 116.36 2aff s LYS 83 Ca 0.39 -1.08 -0.33 0.00 0.02 0.00 0.00 55.97 54.97 2aff s LYS 83 Cb -0.23 -0.88 -0.11 0.00 -0.52 0.00 0.00 37.83 36.09 2aff s LYS 83 CO 0.28 0.18 1.91 1.58 -0.92 0.00 0.00 175.35 178.39 2aff n HIS 84 N 0.96 2.39 0.00 3.18 -0.00 -1.26 -1.22 115.22 119.27 2aff n HIS 84 Ca -0.19 -0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.41 2aff n HIS 84 Cb 0.55 -2.71 0.00 0.00 -0.00 0.00 0.00 29.99 27.83 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 4.47 2.38 3.73 1.57 0.00 -0.85 -5.00 105.19 111.49 2aff n GLY 85 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.68 6.88 -0.11 1.61 1.01 -0.36 -4.80 116.67 119.22 2aff s ASP 86 Ca 0.00 2.38 -0.02 0.00 0.71 0.00 0.00 52.55 55.62 2aff s ASP 86 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.56 -0.01 -0.69 0.21 0.00 0.00 175.17 174.12 2aff s VAL 87 N 0.37 4.15 -0.19 -1.27 1.01 -1.26 -2.08 120.40 121.13 2aff s VAL 87 Ca 0.59 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 62.19 2aff s VAL 87 Cb -0.36 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2aff s VAL 87 CO 0.36 0.57 0.08 -0.63 0.00 0.00 0.00 175.10 175.48 2aff s ILE 88 N -0.49 4.89 -0.12 2.22 1.01 0.04 -1.50 121.20 127.25 2aff s ILE 88 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.77 2aff s ILE 88 Cb -0.12 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.14 2aff s ILE 88 CO 0.02 0.44 -0.22 -0.89 0.00 0.00 0.00 174.94 174.29 2aff s THR 89 N 0.48 2.02 -0.08 2.92 2.01 0.35 0.67 115.64 124.01 2aff s THR 89 Ca 0.04 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.10 2aff s THR 89 Cb -0.12 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 2aff s THR 89 CO 0.00 0.55 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.67 2aff s ILE 90 N 0.61 2.65 -0.46 1.82 1.01 0.95 -2.23 121.20 125.55 2aff s ILE 90 Ca -0.12 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 2aff s ILE 90 Cb -0.17 -2.04 -0.12 0.00 0.01 0.00 0.00 42.46 40.15 2aff s ILE 90 CO 0.03 0.56 1.17 -0.38 0.00 0.00 0.00 174.94 176.32 2aff n ILE 91 N 2.96 0.00 0.00 2.92 5.41 -1.26 0.31 119.36 129.69 2aff n ILE 91 Ca -0.18 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.51 2aff n ILE 91 Cb 0.52 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.29 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 4.19 0.00 -4.10 4.38 8.00 -1.26 -5.01 116.55 122.74 2aff n ASP 92 Ca 0.30 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.61 2aff n ASP 92 Cb 0.03 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.99 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 -0.46 0.89 0.04 -1.24 1.81 0.90 -4.49 118.95 116.41 2aff s ARG 93 Ca 0.00 -0.61 0.01 0.00 -1.72 0.00 0.00 55.73 53.40 2aff s ARG 93 Cb 0.00 -0.87 -0.03 0.00 -0.45 0.00 0.00 34.95 33.61 2aff s ARG 93 CO 0.00 0.22 -0.05 0.45 -0.68 0.00 0.00 175.30 175.24 2aff s SER 94 N -0.82 0.55 -0.11 0.23 0.15 -1.26 0.32 113.70 112.76 2aff s SER 94 Ca 0.02 -0.63 0.01 0.00 0.70 0.00 0.00 55.95 56.05 2aff s SER 94 Cb -0.07 0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.36 2aff s SER 94 CO 0.01 -0.33 -0.12 -0.36 1.20 0.00 0.00 173.24 173.64 2aff s PHE 95 N -1.96 1.74 -0.02 3.44 0.40 0.21 -1.79 117.98 120.00 2aff s PHE 95 Ca -0.09 -0.84 -0.19 0.00 -0.60 0.00 0.00 56.93 55.21 2aff s PHE 95 Cb -0.06 -1.32 -0.05 0.00 0.51 0.00 0.00 43.02 42.09 2aff s PHE 95 CO -0.02 -0.49 0.53 0.50 0.70 0.00 0.00 175.22 176.44 2aff s ARG 96 N 1.27 4.23 -0.21 0.44 3.52 -0.94 -0.78 118.95 126.49 2aff s ARG 96 Ca -0.02 0.62 -0.11 0.00 -0.13 0.00 0.00 55.73 56.09 2aff s ARG 96 Cb -0.14 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 2aff s ARG 96 CO -0.05 0.42 0.19 -0.47 -0.81 0.00 0.00 175.30 174.58 2aff s TYR 97 N -0.32 3.38 -0.08 5.12 5.04 -0.88 -2.12 117.35 127.49 2aff s TYR 97 Ca 0.28 0.36 -0.01 0.00 -2.44 0.00 0.00 57.07 55.26 2aff s TYR 97 Cb -0.17 -2.26 0.03 0.00 0.35 0.00 0.00 41.96 39.90 2aff s TYR 97 CO 0.15 0.18 -0.02 -1.21 -1.34 0.00 0.00 175.55 173.31 2aff s GLU 98 N 0.70 0.84 0.00 4.97 2.02 -0.59 -2.01 118.70 124.63 2aff s GLU 98 Ca 0.10 0.01 0.23 0.00 0.02 0.00 0.00 54.97 55.33 2aff s GLU 98 Cb -0.12 -1.11 0.52 0.00 0.10 0.00 0.00 34.13 33.52 2aff s GLU 98 CO 0.02 -0.28 1.44 0.27 0.02 0.00 0.00 175.26 176.74 2aff n ASN 99 N 5.02 2.70 0.00 -0.19 6.94 -1.24 -0.16 115.26 128.34 2aff n ASN 99 Ca -0.10 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.59 2aff n ASN 99 Cb 0.50 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 2aff n ASN 99 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61