#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff h THR 4 N 0.00 1.39 -3.71 0.52 1.35 -1.98 -3.42 112.91 107.06 2aff h THR 4 Ca 0.00 -2.15 -0.68 0.00 -0.55 0.00 0.00 66.41 63.03 2aff h THR 4 Cb 0.00 2.12 -0.19 0.00 -1.73 0.00 0.00 68.15 68.35 2aff h THR 4 CO 0.00 0.64 -0.49 -0.13 -0.25 0.00 0.00 175.52 175.29 2aff s ARG 5 N -3.60 3.48 0.00 4.72 0.52 -1.26 -1.83 118.95 120.98 2aff s ARG 5 Ca -0.05 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 54.54 2aff s ARG 5 Cb 0.11 -3.76 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 2aff s ARG 5 CO 0.83 -0.43 -0.11 1.03 0.02 0.00 0.00 175.30 176.64 2aff s ARG 6 N 1.71 0.87 -0.15 3.54 0.52 0.02 -2.14 118.95 123.32 2aff s ARG 6 Ca 0.06 -0.45 -0.00 0.00 -0.52 0.00 0.00 55.73 54.81 2aff s ARG 6 Cb -0.17 -0.84 -0.01 0.00 0.52 0.00 0.00 34.95 34.45 2aff s ARG 6 CO 0.10 0.22 -0.13 -1.17 0.02 0.00 0.00 175.30 174.35 2aff s LEU 7 N -0.43 2.67 -0.20 2.53 2.96 -0.73 -1.17 118.68 124.31 2aff s LEU 7 Ca 0.03 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 53.49 2aff s LEU 7 Cb -0.05 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2aff s LEU 7 CO -0.00 0.12 0.08 -0.69 -1.32 0.00 0.00 176.35 174.55 2aff s VAL 8 N 0.59 4.86 -0.36 1.68 1.01 -0.77 0.14 120.40 127.56 2aff s VAL 8 Ca -0.08 -0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 2aff s VAL 8 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2aff s VAL 8 CO 0.03 0.42 0.55 -0.89 0.00 0.00 0.00 175.10 175.22 2aff s THR 9 N 0.64 4.97 0.35 3.92 2.01 -0.87 -2.05 115.64 124.61 2aff s THR 9 Ca 0.04 0.38 -0.23 0.00 0.31 0.00 0.00 61.69 62.19 2aff s THR 9 Cb -0.13 -4.01 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 2aff s THR 9 CO 0.01 -0.27 0.91 -0.63 -0.69 0.00 0.00 174.62 173.96 2aff s ILE 10 N 2.50 4.34 0.32 1.82 1.01 -0.99 -1.97 121.20 128.22 2aff s ILE 10 Ca 0.20 1.60 -0.07 0.00 0.00 0.00 0.00 60.65 62.38 2aff s ILE 10 Cb -0.15 -3.82 -0.06 0.00 0.01 0.00 0.00 42.46 38.44 2aff s ILE 10 CO 0.14 -0.04 0.62 -0.54 0.00 0.00 0.00 174.94 175.12 2aff s LYS 11 N -2.51 3.70 0.54 2.79 1.02 0.33 -4.61 119.74 121.00 2aff s LYS 11 Ca 0.54 0.17 0.22 0.00 0.02 0.00 0.00 55.97 56.93 2aff s LYS 11 Cb -0.14 -2.57 1.43 0.00 -0.52 0.00 0.00 37.83 36.03 2aff s LYS 11 CO 0.19 0.15 2.11 0.00 -0.92 0.00 0.00 175.35 176.89 2aff h ARG 12 N 1.65 0.00 0.00 1.68 3.08 -1.88 0.36 114.38 119.27 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 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2aff h ARG 12 CO 0.66 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.43 2aff n SER 13 N -4.29 0.77 -0.04 7.04 3.41 -1.26 -4.88 113.62 114.37 2aff n SER 13 Ca 0.01 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2aff n SER 13 Cb 0.27 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 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 0.63 1.28 3.17 5.00 0.00 0.13 -5.11 105.19 110.29 2aff n GLY 14 Ca 0.04 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.08 1.67 0.07 1.61 1.01 -1.23 -4.87 120.40 116.58 2aff s VAL 15 Ca 0.00 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 2aff s VAL 15 Cb 0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 2aff s VAL 15 CO 0.00 0.47 1.58 -0.62 0.00 0.00 0.00 175.10 176.54 2aff s ASP 16 N 0.11 6.66 0.00 3.32 -1.08 -1.26 -0.51 116.67 123.91 2aff s ASP 16 Ca -0.08 2.42 0.00 0.00 -0.52 0.00 0.00 52.55 54.38 2aff s ASP 16 Cb -0.14 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 2aff s ASP 16 CO 0.04 -0.84 0.00 0.61 0.52 0.00 0.00 175.17 175.50 2aff n GLY 17 N 3.88 1.77 3.78 2.66 0.00 -0.83 -4.92 105.19 111.53 2aff n GLY 17 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 3.70 3.95 -0.14 1.61 0.04 -1.26 -4.77 135.00 138.12 2aff s PRO 18 Ca 0.00 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 2aff s PRO 18 Cb 0.00 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2aff s PRO 18 CO 0.00 -0.34 -0.04 -1.01 0.04 0.00 0.00 177.00 175.65 2aff s HIS 19 N -1.72 3.02 -0.45 0.56 3.76 -1.26 -2.06 115.29 117.13 2aff s HIS 19 Ca 0.62 -0.22 -0.13 0.00 -0.15 0.00 0.00 55.06 55.18 2aff s HIS 19 Cb -0.22 -1.91 0.07 0.00 1.11 0.00 0.00 32.58 31.64 2aff s HIS 19 CO 0.27 0.05 0.34 0.12 -0.85 0.00 0.00 174.74 174.68 2aff s PHE 20 N 0.09 3.27 0.02 1.40 5.36 0.12 -4.93 117.98 123.32 2aff s PHE 20 Ca -0.01 -1.10 -0.30 0.00 -0.96 0.00 0.00 56.93 54.56 2aff s PHE 20 Cb -0.14 -3.06 -0.05 0.00 -0.34 0.00 0.00 43.02 39.44 2aff s PHE 20 CO 0.03 -0.80 1.18 -1.25 -1.46 0.00 0.00 175.22 172.92 2aff s PRO 21 N 1.57 4.42 -0.37 10.12 0.04 -1.26 -1.77 135.00 147.75 2aff s PRO 21 Ca 0.04 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 2aff s PRO 21 Cb -0.24 -3.42 0.15 0.00 0.04 0.00 0.00 34.50 31.04 2aff s PRO 21 CO 0.05 -0.29 2.36 1.28 0.04 0.00 0.00 177.00 180.44 2aff n LEU 22 N 4.29 6.47 0.32 -3.56 4.77 -0.91 -4.50 117.00 123.87 2aff n LEU 22 Ca 0.09 -3.62 0.20 0.00 -0.03 0.00 0.00 56.01 52.65 2aff n LEU 22 Cb 0.47 -1.13 1.08 0.00 -2.33 0.00 0.00 43.42 41.50 2aff n LEU 22 CO 0.55 1.44 1.16 0.77 -1.33 0.00 0.00 177.39 179.99 2aff h SER 23 N 2.12 0.00 -3.95 -1.43 4.64 -1.92 -3.41 113.55 109.60 2aff h SER 23 Ca 0.34 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.18 2aff h SER 23 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2aff h SER 23 CO 0.81 0.00 0.39 -0.76 -0.87 0.00 0.00 176.83 176.40 2aff s LEU 24 N -6.67 4.17 0.56 5.97 1.43 -1.26 -4.94 118.68 117.93 2aff s LEU 24 Ca -0.05 1.95 0.32 0.00 -1.03 0.00 0.00 54.13 55.32 2aff s LEU 24 Cb 0.13 -4.18 1.67 0.00 0.03 0.00 0.00 46.19 43.84 2aff s LEU 24 CO 0.45 -0.37 2.14 0.28 0.23 0.00 0.00 176.35 179.07 2aff h SER 25 N 2.59 0.00 -3.75 2.29 0.02 -1.90 -3.43 113.55 109.38 2aff h SER 25 Ca -0.48 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.13 2aff h SER 25 Cb 1.21 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.44 2aff h SER 25 CO 0.63 0.07 -0.75 -0.89 -1.14 0.00 0.00 176.83 174.74 2aff s THR 26 N -4.15 0.37 -0.12 -2.27 2.01 -1.26 -1.17 115.64 109.05 2aff s THR 26 Ca -0.03 -0.14 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 2aff s THR 26 Cb 0.13 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.31 2aff s THR 26 CO 0.54 0.13 -0.10 0.00 -0.69 0.00 0.00 174.62 174.51 2aff s LEU 28 N 1.64 2.64 -0.06 0.00 2.96 -1.26 -0.27 118.68 124.33 2aff s LEU 28 Ca 0.05 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 2aff s LEU 28 Cb -0.13 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2aff s LEU 28 CO -0.09 0.21 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.69 2aff s PHE 29 N 0.10 2.84 -5.00 5.38 0.40 0.17 -0.17 117.98 121.70 2aff s PHE 29 Ca -0.07 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 2aff s PHE 29 Cb -0.15 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.70 2aff s PHE 29 CO 0.05 0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.64 2aff n GLY 30 N 2.28 -0.24 0.08 4.36 0.00 -0.83 -2.41 105.19 108.43 2aff n GLY 30 Ca -0.18 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 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 2.59 0.09 -6.48 1.61 3.08 -1.39 -2.74 114.38 111.13 2aff h ARG 31 Ca 0.00 -0.15 -0.60 0.00 0.07 0.00 0.00 59.98 59.31 2aff h ARG 31 Cb 0.00 0.05 0.13 0.00 0.08 0.00 0.00 29.97 30.24 2aff h ARG 31 CO 0.00 0.89 -0.07 0.41 -1.07 0.00 0.00 179.97 180.13 2aff n GLY 32 N 1.52 -0.74 0.28 0.04 0.00 -0.99 -4.83 105.19 100.47 2aff n GLY 32 Ca -0.11 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 1.31 1.26 -0.03 -0.61 6.09 -1.91 -1.55 117.51 122.08 2aff h ILE 33 Ca -0.41 -1.09 0.01 0.00 -1.37 0.00 0.00 64.86 61.99 2aff h ILE 33 Cb 1.36 0.86 -0.00 0.00 0.47 0.00 0.00 36.82 39.51 2aff h ILE 33 CO 0.55 0.39 0.27 -0.08 -3.07 0.00 0.00 178.15 176.22 2aff h GLU 34 N 0.86 0.00 -6.55 2.19 4.81 -1.96 -3.41 114.58 110.52 2aff h GLU 34 Ca 0.16 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.86 2aff h GLU 34 Cb 0.51 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.94 2aff h GLU 34 CO 0.02 0.00 1.08 0.00 -0.73 0.00 0.00 179.01 179.39 2aff h ASP 36 N 8.05 0.23 -3.32 0.00 3.32 -0.81 -3.37 116.42 120.53 2aff h ASP 36 Ca -0.45 -0.01 -0.62 0.00 0.02 0.00 0.00 57.03 55.97 2aff h ASP 36 Cb 1.22 -0.06 -0.36 0.00 0.22 0.00 0.00 39.33 40.35 2aff h ASP 36 CO 0.95 0.16 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.18 2aff s ILE 37 N -5.28 1.68 -0.18 0.35 1.01 0.16 -4.95 121.20 113.99 2aff s ILE 37 Ca -0.07 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.59 2aff s ILE 37 Cb 0.17 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 2aff s ILE 37 CO 0.70 0.28 0.12 -0.13 0.00 0.00 0.00 174.94 175.91 2aff s ARG 38 N 1.40 3.96 -0.08 2.79 0.52 -1.26 -1.97 118.95 124.32 2aff s ARG 38 Ca 0.01 -0.23 0.04 0.00 -0.52 0.00 0.00 55.73 55.03 2aff s ARG 38 Cb -0.15 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.00 2aff s ARG 38 CO -0.09 0.41 -0.22 0.42 0.02 0.00 0.00 175.30 175.84 2aff s ILE 39 N 0.03 1.88 0.00 1.52 1.01 -1.03 -4.98 121.20 119.63 2aff s ILE 39 Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2aff s ILE 39 Cb -0.11 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.73 2aff s ILE 39 CO -0.00 0.52 1.38 0.00 0.00 0.00 0.00 174.94 176.84 2aff n GLN 40 N 3.46 0.98 -4.01 2.79 10.64 -1.26 -4.52 117.38 125.45 2aff n GLN 40 Ca -0.19 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.63 2aff n GLN 40 Cb 0.53 -1.01 -0.11 0.00 -0.86 0.00 0.00 30.24 28.79 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2aff s LEU 41 N 0.00 3.68 0.00 2.61 1.43 -1.26 -4.97 118.68 120.16 2aff s LEU 41 Ca 0.00 -0.00 0.20 0.00 -1.03 0.00 0.00 54.13 53.29 2aff s LEU 41 Cb 0.00 -1.94 0.85 0.00 0.03 0.00 0.00 46.19 45.14 2aff s LEU 41 CO 0.00 0.13 1.63 -0.81 0.23 0.00 0.00 176.35 177.53 2aff n PRO 42 N 3.82 0.03 -0.02 1.29 -0.04 -1.26 -2.38 135.00 136.44 2aff n PRO 42 Ca -0.16 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.58 2aff n PRO 42 Cb 0.52 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.47 0.06 -3.76 0.52 0.24 -1.26 -4.86 118.33 107.80 2aff n VAL 43 Ca 0.05 -0.33 -0.37 0.00 -2.04 0.00 0.00 64.34 61.66 2aff n VAL 43 Cb 0.22 0.63 -0.06 0.00 -1.47 0.00 0.00 33.84 33.16 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 -1.94 5.39 0.98 3.34 1.01 -1.00 -4.92 120.40 123.25 2aff s VAL 44 Ca 0.36 0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.57 2aff s VAL 44 Cb 0.20 -3.49 0.17 0.00 0.00 0.00 0.00 36.38 33.27 2aff s VAL 44 CO 0.31 0.57 1.12 -0.44 0.00 0.00 0.00 175.10 176.67 2aff s SER 45 N -0.75 2.88 0.20 3.32 0.01 -1.26 -4.62 113.70 113.48 2aff s SER 45 Ca 0.16 1.02 -0.10 0.00 1.31 0.00 0.00 55.95 58.34 2aff s SER 45 Cb -0.13 -1.61 0.13 0.00 0.21 0.00 0.00 66.02 64.63 2aff s SER 45 CO 0.05 -2.95 1.79 0.11 0.41 0.00 0.00 173.24 172.65 2aff h LYS 46 N -1.77 1.06 0.00 12.44 1.57 -1.95 -2.51 116.57 125.42 2aff h LYS 46 Ca -0.52 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 2aff h LYS 46 Cb 1.33 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2aff h LYS 46 CO 0.58 0.83 -1.28 1.04 -0.57 0.00 0.00 179.45 180.06 2aff n GLN 47 N -4.40 0.84 0.00 3.15 6.02 -1.26 -2.36 117.38 119.37 2aff n GLN 47 Ca 0.06 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2aff n GLN 47 Cb 0.14 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.73 0.00 -4.43 1.08 -0.00 -1.15 -3.95 115.22 105.03 2aff n HIS 48 Ca -0.01 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.96 2aff n HIS 48 Cb 0.23 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.94 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 0.15 1.49 -0.09 0.00 2.20 -0.77 0.41 119.74 123.13 2aff s LYS 50 Ca -0.03 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 2aff s LYS 50 Cb -0.08 -1.28 -0.02 0.00 -1.51 0.00 0.00 37.83 34.94 2aff s LYS 50 CO 0.01 0.08 -0.16 0.42 -0.36 0.00 0.00 175.35 175.34 2aff s ILE 51 N 0.47 2.88 -0.16 5.43 1.01 0.63 0.17 121.20 131.64 2aff s ILE 51 Ca -0.10 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2aff s ILE 51 Cb -0.13 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.18 2aff s ILE 51 CO 0.02 0.56 -0.15 -1.61 0.00 0.00 0.00 174.94 173.76 2aff s GLU 52 N -0.11 3.19 -0.30 2.79 2.02 0.13 -1.83 118.70 124.59 2aff s GLU 52 Ca -0.02 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.14 2aff s GLU 52 Cb -0.14 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.46 2aff s GLU 52 CO 0.04 -0.03 0.10 0.42 0.02 0.00 0.00 175.26 175.81 2aff s ILE 53 N 0.94 4.14 0.05 -1.63 1.01 -0.31 -0.78 121.20 124.61 2aff s ILE 53 Ca -0.03 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.03 2aff s ILE 53 Cb -0.15 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 2aff s ILE 53 CO -0.02 0.06 -0.14 -1.00 0.00 0.00 0.00 174.94 173.84 2aff s HIS 54 N 1.53 2.67 0.57 3.97 3.76 0.16 -4.88 115.29 123.07 2aff s HIS 54 Ca 0.03 -0.18 0.43 0.00 -0.15 0.00 0.00 55.06 55.19 2aff s HIS 54 Cb -0.17 -1.49 1.51 0.00 1.11 0.00 0.00 32.58 33.53 2aff s HIS 54 CO 0.04 0.32 1.52 1.49 -0.85 0.00 0.00 174.74 177.25 2aff h GLU 55 N 4.33 0.00 0.10 1.40 4.57 -2.01 0.29 114.58 123.26 2aff h GLU 55 Ca -0.48 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2aff h GLU 55 Cb 1.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2aff h GLU 55 CO 0.50 0.00 -0.05 1.96 -1.18 0.00 0.00 179.01 180.24 2aff h GLN 56 N 0.00 -0.13 0.00 1.92 4.20 -2.01 -3.49 115.11 115.60 2aff h GLN 56 Ca 0.79 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.51 2aff h GLN 56 Cb 3.45 0.03 0.00 0.00 0.30 0.00 0.00 27.48 31.26 2aff h GLN 56 CO -0.01 -0.09 0.00 -1.91 -0.67 0.00 0.00 178.83 176.15 2aff n GLU 57 N -2.43 0.00 -4.34 1.46 4.07 0.10 -5.15 120.64 114.36 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 0.05 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.31 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 -1.01 2.91 -0.11 4.31 0.00 -1.26 -0.67 121.76 125.93 2aff s ALA 58 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2aff s ALA 58 Cb 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 2aff s ALA 58 CO 0.00 0.06 -0.19 0.42 0.00 0.00 0.00 175.76 176.05 2aff s ILE 59 N 0.64 2.53 -0.20 0.00 1.01 0.04 0.14 121.20 125.37 2aff s ILE 59 Ca -0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 2aff s ILE 59 Cb -0.15 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 2aff s ILE 59 CO 0.02 0.54 0.17 -0.22 0.00 0.00 0.00 174.94 175.46 2aff s LEU 60 N 0.32 4.20 -0.07 2.97 2.96 -0.14 -0.69 118.68 128.23 2aff s LEU 60 Ca -0.15 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 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 0.14 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.10 2aff s HIS 61 N 0.51 2.71 -0.45 5.38 3.76 0.13 -2.21 115.29 125.11 2aff s HIS 61 Ca 0.10 -0.30 -0.17 0.00 -0.15 0.00 0.00 55.06 54.54 2aff s HIS 61 Cb -0.12 -1.67 0.04 0.00 1.11 0.00 0.00 32.58 31.94 2aff s HIS 61 CO 0.00 0.07 0.45 1.21 -0.85 0.00 0.00 174.74 175.62 2aff s ASN 62 N -0.45 6.18 -0.00 1.40 2.47 -1.26 -1.85 114.94 121.42 2aff s ASN 62 Ca 0.06 -0.96 0.21 0.00 0.42 0.00 0.00 52.86 52.59 2aff s ASN 62 Cb -0.12 -2.22 -0.15 0.00 -1.45 0.00 0.00 41.25 37.31 2aff s ASN 62 CO 0.02 -0.65 0.95 0.49 -3.72 0.00 0.00 177.10 174.19 2aff n PHE 63 N 5.55 0.00 -2.31 0.43 3.01 -0.06 -4.86 117.46 119.22 2aff n PHE 63 Ca -0.09 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.96 2aff n PHE 63 Cb 0.46 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 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 -3.02 5.89 0.30 4.37 0.15 -0.19 -4.61 113.70 116.59 2aff s SER 64 Ca 0.08 0.18 0.24 0.00 0.70 0.00 0.00 55.95 57.15 2aff s SER 64 Cb 0.16 -2.54 0.45 0.00 -1.71 0.00 0.00 66.02 62.38 2aff s SER 64 CO 0.85 -1.93 1.56 0.77 1.20 0.00 0.00 173.24 175.69 2aff h SER 65 N 11.99 0.00 0.12 5.45 4.64 -1.91 -3.20 113.55 130.64 2aff h SER 65 Ca -0.27 -0.03 -0.37 0.00 -0.47 0.00 0.00 61.79 60.65 2aff h SER 65 Cb 1.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2aff h SER 65 CO 1.21 0.01 -2.05 0.41 -0.87 0.00 0.00 176.83 175.54 2aff n THR 66 N -2.66 1.76 -3.49 2.95 -1.04 -1.26 -4.80 114.28 105.75 2aff n THR 66 Ca 0.04 -0.65 -0.28 0.00 -2.04 0.00 0.00 64.05 61.12 2aff n THR 66 Cb 0.49 -1.70 -0.13 0.00 -1.82 0.00 0.00 70.33 67.17 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2aff s ASN 67 N -6.99 3.06 0.53 8.00 0.01 -1.25 -5.14 114.94 113.17 2aff s ASN 67 Ca -0.24 -1.73 -0.22 0.00 -0.71 0.00 0.00 52.86 49.97 2aff s ASN 67 Cb 0.07 -0.29 -0.06 0.00 0.41 0.00 0.00 41.25 41.37 2aff s ASN 67 CO 0.75 -0.36 1.18 -2.65 -1.51 0.00 0.00 177.10 174.51 2aff n PRO 68 N 4.60 1.45 -2.40 -0.60 -0.02 -1.21 -4.66 135.00 132.17 2aff n PRO 68 Ca 0.04 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 2aff n PRO 68 Cb 0.40 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.34 3.47 -0.09 3.45 2.01 -1.26 -4.85 115.64 117.03 2aff s THR 69 Ca 0.70 1.35 -0.06 0.00 0.31 0.00 0.00 61.69 63.99 2aff s THR 69 Cb -0.45 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2aff s THR 69 CO 0.51 0.27 0.13 -1.10 -0.69 0.00 0.00 174.62 173.74 2aff s GLN 70 N -0.86 3.39 -0.03 4.92 -0.21 -0.62 -2.18 119.66 124.07 2aff s GLN 70 Ca 0.49 -0.20 0.04 0.00 0.02 0.00 0.00 55.36 55.71 2aff s GLN 70 Cb -0.33 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 30.55 2aff s GLN 70 CO 0.40 0.75 -0.16 0.08 -2.12 0.00 0.00 175.29 174.24 2aff s VAL 71 N -1.07 1.31 -1.15 1.09 1.01 0.28 0.25 120.40 122.11 2aff s VAL 71 Ca 0.17 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2aff s VAL 71 Cb -0.12 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.17 2aff s VAL 71 CO 0.07 0.38 0.22 0.59 0.00 0.00 0.00 175.10 176.35 2aff n ASN 72 N 3.00 -3.94 -1.08 3.32 3.02 0.58 0.96 115.26 121.12 2aff n ASN 72 Ca -0.17 -0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.25 2aff n ASN 72 Cb 0.54 -3.31 -0.00 0.00 -0.61 0.00 0.00 39.78 36.39 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 -0.98 -0.01 2.83 7.41 0.00 -1.26 -5.03 105.19 108.15 2aff n GLY 73 Ca -0.10 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 2aff n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aff s SER 74 N -2.57 0.03 0.19 1.61 1.04 0.27 -5.11 113.70 109.15 2aff s SER 74 Ca 0.00 0.04 -0.31 0.00 0.48 0.00 0.00 55.95 56.16 2aff s SER 74 Cb 0.00 -0.02 -0.09 0.00 0.10 0.00 0.00 66.02 66.01 2aff s SER 74 CO 0.00 -0.07 1.39 -0.69 0.98 0.00 0.00 173.24 174.85 2aff s VAL 75 N 0.57 3.03 -0.21 5.02 1.01 -1.26 0.10 120.40 128.66 2aff s VAL 75 Ca -0.05 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2aff s VAL 75 Cb -0.07 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.85 2aff s VAL 75 CO -0.02 0.10 -0.05 -0.51 0.00 0.00 0.00 175.10 174.63 2aff s ILE 76 N 0.46 1.35 -0.95 2.22 -1.16 -0.93 -4.89 121.20 117.31 2aff s ILE 76 Ca 0.61 -1.02 0.22 0.00 -0.51 0.00 0.00 60.65 59.95 2aff s ILE 76 Cb -0.39 -1.61 -0.15 0.00 0.61 0.00 0.00 42.46 40.92 2aff s ILE 76 CO 0.37 -0.05 1.07 0.47 -2.81 0.00 0.00 174.94 173.99 2aff n ASP 77 N 4.75 0.78 -4.52 4.50 8.00 -1.26 -4.34 116.55 124.46 2aff n ASP 77 Ca -0.12 -0.67 -0.25 0.00 0.71 0.00 0.00 54.79 54.47 2aff n ASP 77 Cb 0.45 0.76 -0.09 0.00 -0.02 0.00 0.00 41.12 42.22 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 -3.03 1.88 0.41 -1.24 -1.05 -1.26 -4.76 118.70 109.65 2aff s GLU 78 Ca 0.08 -1.55 -0.26 0.00 -0.15 0.00 0.00 54.97 53.09 2aff s GLU 78 Cb 0.16 -1.95 -0.10 0.00 -0.44 0.00 0.00 34.13 31.80 2aff s GLU 78 CO 0.81 0.37 1.24 -2.30 0.95 0.00 0.00 175.26 176.33 2aff n PRO 79 N -0.44 1.87 -3.81 -4.83 -0.02 -1.26 -4.78 135.00 121.72 2aff n PRO 79 Ca -0.08 0.66 -0.12 0.00 -2.02 0.00 0.00 63.50 61.94 2aff n PRO 79 Cb 0.58 -2.33 -0.12 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.20 -0.00 0.14 -1.45 -7.23 -0.94 -4.98 120.40 104.74 2aff s VAL 80 Ca 0.61 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.48 2aff s VAL 80 Cb -0.52 -0.24 -0.07 0.00 0.56 0.00 0.00 36.38 36.11 2aff s VAL 80 CO 0.58 0.00 1.21 -0.13 -0.31 0.00 0.00 175.10 176.45 2aff s ARG 81 N 0.09 4.46 0.19 4.82 0.52 -1.26 -0.97 118.95 126.80 2aff s ARG 81 Ca -0.00 1.86 -0.28 0.00 -0.52 0.00 0.00 55.73 56.78 2aff s ARG 81 Cb -0.01 -3.27 -0.08 0.00 0.52 0.00 0.00 34.95 32.10 2aff s ARG 81 CO 0.00 -0.17 0.89 -0.51 0.02 0.00 0.00 175.30 175.53 2aff s LEU 82 N 0.28 4.60 0.08 2.53 1.43 0.38 -4.91 118.68 123.07 2aff s LEU 82 Ca 0.56 1.81 0.07 0.00 -1.03 0.00 0.00 54.13 55.54 2aff s LEU 82 Cb -0.32 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2aff s LEU 82 CO 0.34 0.14 -0.19 -0.54 0.23 0.00 0.00 176.35 176.33 2aff s LYS 83 N -0.95 1.07 0.09 1.70 1.02 -1.26 -4.47 119.74 116.94 2aff s LYS 83 Ca 0.40 -1.05 -0.32 0.00 0.02 0.00 0.00 55.97 55.03 2aff s LYS 83 Cb -0.25 -1.23 -0.11 0.00 -0.52 0.00 0.00 37.83 35.72 2aff s LYS 83 CO 0.30 0.29 1.82 1.58 -0.92 0.00 0.00 175.35 178.41 2aff n HIS 84 N 1.31 2.53 0.00 3.18 -0.00 -1.26 -1.41 115.22 119.57 2aff n HIS 84 Ca -0.19 -0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.44 2aff n HIS 84 Cb 0.54 -2.70 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 4.17 3.03 3.76 1.57 0.00 -0.33 -4.92 105.19 112.46 2aff n GLY 85 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.14 6.76 -0.13 1.61 1.01 -0.50 -4.77 116.67 119.51 2aff s ASP 86 Ca 0.00 2.66 -0.02 0.00 0.71 0.00 0.00 52.55 55.90 2aff s ASP 86 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 2aff s ASP 86 CO 0.00 -0.57 -0.06 -0.69 0.21 0.00 0.00 175.17 174.06 2aff s VAL 87 N -0.79 3.69 -0.18 -1.27 1.01 -1.26 -1.67 120.40 119.93 2aff s VAL 87 Ca 0.52 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2aff s VAL 87 Cb -0.40 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 2aff s VAL 87 CO 0.50 0.53 0.12 -0.63 0.00 0.00 0.00 175.10 175.61 2aff s ILE 88 N 0.04 5.33 -0.13 2.22 1.01 -0.54 -0.31 121.20 128.81 2aff s ILE 88 Ca -0.01 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2aff s ILE 88 Cb -0.14 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.94 2aff s ILE 88 CO 0.03 0.49 -0.21 -0.89 0.00 0.00 0.00 174.94 174.36 2aff s THR 89 N 0.00 1.97 -0.17 2.92 2.01 0.68 -0.58 115.64 122.48 2aff s THR 89 Ca 0.09 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.16 2aff s THR 89 Cb -0.11 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.65 2aff s THR 89 CO -0.00 0.53 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.69 2aff s ILE 90 N 0.80 2.68 0.00 1.82 1.01 0.29 -1.58 121.20 126.21 2aff s ILE 90 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2aff s ILE 90 Cb -0.16 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.17 2aff s ILE 90 CO -0.01 0.51 0.00 -0.38 0.00 0.00 0.00 174.94 175.06 2aff n ILE 91 N 4.23 0.00 -0.44 2.92 2.08 -1.26 0.22 119.36 127.11 2aff n ILE 91 Ca -0.19 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.19 2aff n ILE 91 Cb 0.51 0.00 0.20 0.00 -0.75 0.00 0.00 39.64 39.60 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 3.60 3.32 -4.36 4.38 5.75 -1.26 -4.97 116.55 123.01 2aff n ASP 92 Ca 0.00 -2.31 -0.31 0.00 -0.01 0.00 0.00 54.79 52.15 2aff n ASP 92 Cb 0.00 -0.34 -0.15 0.00 -1.03 0.00 0.00 41.12 39.59 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 -1.57 2.18 0.03 0.11 0.52 0.58 -4.79 118.95 116.02 2aff s ARG 93 Ca 0.31 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.68 2aff s ARG 93 Cb 0.20 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 2aff s ARG 93 CO 0.15 0.57 -0.15 -1.12 0.02 0.00 0.00 175.30 174.76 2aff s SER 94 N -0.70 1.82 -0.11 0.23 0.01 -1.26 0.11 113.70 113.79 2aff s SER 94 Ca 0.11 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.93 2aff s SER 94 Cb -0.10 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.01 2aff s SER 94 CO -0.00 0.08 -0.13 -0.36 0.41 0.00 0.00 173.24 173.24 2aff s PHE 95 N -0.77 1.81 -0.09 2.43 0.40 0.26 -2.36 117.98 119.66 2aff s PHE 95 Ca 0.03 -0.88 -0.24 0.00 -0.60 0.00 0.00 56.93 55.24 2aff s PHE 95 Cb -0.08 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 2aff s PHE 95 CO 0.01 -0.50 0.74 1.03 0.70 0.00 0.00 175.22 177.20 2aff s ARG 96 N 1.23 4.41 -0.17 0.44 0.52 -0.87 -1.47 118.95 123.04 2aff s ARG 96 Ca -0.02 0.92 -0.16 0.00 -0.52 0.00 0.00 55.73 55.95 2aff s ARG 96 Cb -0.14 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 2aff s ARG 96 CO -0.04 -0.03 0.40 -0.47 0.02 0.00 0.00 175.30 175.17 2aff s TYR 97 N 1.11 3.44 -0.08 -0.53 5.04 -0.67 -1.84 117.35 123.82 2aff s TYR 97 Ca 0.38 0.70 0.02 0.00 -2.44 0.00 0.00 57.07 55.73 2aff s TYR 97 Cb -0.18 -2.49 0.01 0.00 0.35 0.00 0.00 41.96 39.66 2aff s TYR 97 CO 0.17 0.11 -0.15 -1.21 -1.34 0.00 0.00 175.55 173.13 2aff s GLU 98 N 0.89 2.03 -0.25 4.97 2.02 -0.32 -1.19 118.70 126.85 2aff s GLU 98 Ca 0.21 -0.52 -0.03 0.00 0.02 0.00 0.00 54.97 54.65 2aff s GLU 98 Cb -0.14 -1.66 0.08 0.00 0.10 0.00 0.00 34.13 32.51 2aff s GLU 98 CO 0.08 0.03 0.08 1.21 0.02 0.00 0.00 175.26 176.67 2aff s ASN 99 N 0.70 3.41 0.00 -0.19 2.47 -1.25 -0.80 114.94 119.28 2aff s ASN 99 Ca -0.13 -1.20 0.00 0.00 0.42 0.00 0.00 52.86 51.95 2aff s ASN 99 Cb -0.16 -0.61 0.00 0.00 -1.45 0.00 0.00 41.25 39.03 2aff s ASN 99 CO 0.03 -0.38 0.00 1.21 -3.72 0.00 0.00 177.10 174.25