#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 1.16 -3.54 3.45 1.35 -1.96 -3.41 112.91 109.96 2aff h THR 4 Ca 0.00 -0.38 -0.62 0.00 -0.55 0.00 0.00 66.41 64.86 2aff h THR 4 Cb 0.00 0.53 -0.12 0.00 -1.73 0.00 0.00 68.15 66.83 2aff h THR 4 CO 0.00 0.17 0.10 -0.13 -0.25 0.00 0.00 175.52 175.41 2aff s ARG 5 N -5.93 3.95 -0.03 4.72 1.81 -1.26 -0.33 118.95 121.88 2aff s ARG 5 Ca -0.13 0.31 0.04 0.00 -1.72 0.00 0.00 55.73 54.23 2aff s ARG 5 Cb 0.12 -3.70 -0.00 0.00 -0.45 0.00 0.00 34.95 30.91 2aff s ARG 5 CO 0.75 -0.50 -0.13 1.03 -0.68 0.00 0.00 175.30 175.76 2aff s ARG 6 N 2.51 1.30 -0.12 3.54 0.52 -0.78 -1.74 118.95 124.17 2aff s ARG 6 Ca 0.24 -0.47 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 6 Cb -0.15 -1.19 -0.02 0.00 0.52 0.00 0.00 34.95 34.12 2aff s ARG 6 CO 0.11 0.22 -0.14 -1.17 0.02 0.00 0.00 175.30 174.34 2aff s LEU 7 N -0.04 2.68 -0.15 2.53 2.96 -0.60 -1.50 118.68 124.55 2aff s LEU 7 Ca -0.00 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2aff s LEU 7 Cb -0.08 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2aff s LEU 7 CO 0.01 0.18 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.50 2aff s VAL 8 N 0.23 3.92 0.31 1.68 1.01 -0.79 0.62 120.40 127.39 2aff s VAL 8 Ca -0.09 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 2aff s VAL 8 Cb -0.15 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.42 2aff s VAL 8 CO 0.05 0.50 1.00 -0.89 0.00 0.00 0.00 175.10 175.77 2aff s THR 9 N 0.25 3.92 -0.10 3.92 2.01 -0.78 -1.39 115.64 123.47 2aff s THR 9 Ca -0.03 1.70 -0.00 0.00 0.31 0.00 0.00 61.69 63.67 2aff s THR 9 Cb -0.14 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2aff s THR 9 CO 0.03 0.23 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.48 2aff s ILE 10 N -1.44 3.57 0.35 1.82 -1.09 -0.41 -2.07 121.20 121.93 2aff s ILE 10 Ca 0.49 -0.51 -0.06 0.00 -2.23 0.00 0.00 60.65 58.34 2aff s ILE 10 Cb -0.24 -2.49 -0.05 0.00 -1.58 0.00 0.00 42.46 38.11 2aff s ILE 10 CO 0.30 0.56 0.65 -0.54 -1.23 0.00 0.00 174.94 174.68 2aff s LYS 11 N -0.36 3.66 0.60 2.79 1.02 0.31 -4.31 119.74 123.46 2aff s LYS 11 Ca 0.05 0.15 0.32 0.00 0.02 0.00 0.00 55.97 56.51 2aff s LYS 11 Cb -0.12 -2.54 1.91 0.00 -0.52 0.00 0.00 37.83 36.56 2aff s LYS 11 CO 0.02 0.08 2.27 0.00 -0.92 0.00 0.00 175.35 176.80 2aff h ARG 12 N 1.32 0.00 -0.00 1.68 3.08 -1.88 0.46 114.38 119.04 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 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2aff h ARG 12 CO 0.65 0.00 -0.10 -1.13 -1.07 0.00 0.00 179.97 178.31 2aff n SER 13 N -3.72 0.24 -0.25 7.04 3.41 -1.26 -4.90 113.62 114.18 2aff n SER 13 Ca -0.03 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2aff n SER 13 Cb 0.09 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.36 0.98 3.19 5.00 0.00 0.16 -5.09 105.19 110.80 2aff n GLY 14 Ca 0.11 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.50 1.76 0.18 1.61 1.01 -1.24 -4.86 120.40 116.36 2aff s VAL 15 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2aff s VAL 15 Cb 0.00 -1.51 -0.08 0.00 0.00 0.00 0.00 36.38 34.79 2aff s VAL 15 CO 0.00 0.49 1.16 -1.81 0.00 0.00 0.00 175.10 174.95 2aff s ASP 16 N 0.09 7.14 0.00 3.32 1.01 -1.26 -0.53 116.67 126.45 2aff s ASP 16 Ca -0.08 2.18 0.00 0.00 0.71 0.00 0.00 52.55 55.36 2aff s ASP 16 Cb -0.14 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.18 2aff s ASP 16 CO 0.04 -0.33 0.00 0.61 0.21 0.00 0.00 175.17 175.71 2aff n GLY 17 N 2.17 2.47 3.77 0.21 0.00 -0.88 -4.94 105.19 107.99 2aff n GLY 17 Ca 0.04 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 3.16 4.06 -0.03 1.61 0.04 -1.26 -4.71 135.00 137.86 2aff s PRO 18 Ca 0.00 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 2aff s PRO 18 Cb 0.00 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 2aff s PRO 18 CO 0.00 -0.27 0.07 -3.38 0.04 0.00 0.00 177.00 173.45 2aff s HIS 19 N -1.54 3.29 -0.32 0.56 -3.43 -1.26 -1.87 115.29 110.71 2aff s HIS 19 Ca 0.58 0.23 -0.01 0.00 -0.80 0.00 0.00 55.06 55.07 2aff s HIS 19 Cb -0.26 -1.77 0.07 0.00 -1.43 0.00 0.00 32.58 29.19 2aff s HIS 19 CO 0.33 0.55 0.03 0.12 -2.00 0.00 0.00 174.74 173.77 2aff s PHE 20 N -1.11 3.37 0.00 0.38 5.36 0.20 -4.97 117.98 121.22 2aff s PHE 20 Ca 0.20 -2.12 -0.30 0.00 -0.96 0.00 0.00 56.93 53.75 2aff s PHE 20 Cb -0.12 -2.38 -0.04 0.00 -0.34 0.00 0.00 43.02 40.14 2aff s PHE 20 CO 0.10 -0.86 1.20 -1.25 -1.46 0.00 0.00 175.22 172.96 2aff s PRO 21 N 1.19 4.39 -0.17 10.12 0.04 -1.26 -1.56 135.00 147.74 2aff s PRO 21 Ca -0.02 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.70 2aff s PRO 21 Cb -0.20 -3.46 -0.11 0.00 0.04 0.00 0.00 34.50 30.76 2aff s PRO 21 CO -0.03 -0.36 3.15 1.28 0.04 0.00 0.00 177.00 181.09 2aff n LEU 22 N 4.60 5.73 0.29 -3.56 4.77 -0.71 -4.39 117.00 123.74 2aff n LEU 22 Ca 0.10 -3.44 0.14 0.00 -0.03 0.00 0.00 56.01 52.79 2aff n LEU 22 Cb 0.46 -1.32 0.88 0.00 -2.33 0.00 0.00 43.42 41.12 2aff n LEU 22 CO 0.55 1.64 1.10 0.77 -1.33 0.00 0.00 177.39 180.13 2aff h SER 23 N 2.79 0.00 -3.74 -1.43 4.64 -1.91 -3.41 113.55 110.49 2aff h SER 23 Ca 0.25 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.07 2aff h SER 23 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2aff h SER 23 CO 0.46 0.02 0.44 -0.76 -0.87 0.00 0.00 176.83 176.12 2aff s LEU 24 N -7.67 4.56 0.59 5.97 1.43 -1.26 -4.92 118.68 117.37 2aff s LEU 24 Ca -0.05 2.15 0.39 0.00 -1.03 0.00 0.00 54.13 55.59 2aff s LEU 24 Cb 0.15 -3.62 1.97 0.00 0.03 0.00 0.00 46.19 44.72 2aff s LEU 24 CO 0.56 -0.08 2.17 0.28 0.23 0.00 0.00 176.35 179.51 2aff h SER 25 N 4.20 0.00 -3.68 2.29 0.02 -1.92 -3.42 113.55 111.04 2aff h SER 25 Ca -0.46 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.16 2aff h SER 25 Cb 1.21 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.44 2aff h SER 25 CO 0.68 0.00 -0.75 -0.89 -1.14 0.00 0.00 176.83 174.73 2aff s THR 26 N -3.92 0.30 -0.15 -2.27 2.01 -1.26 -0.92 115.64 109.42 2aff s THR 26 Ca -0.03 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2aff s THR 26 Cb 0.11 -0.32 0.03 0.00 0.01 0.00 0.00 72.50 72.33 2aff s THR 26 CO 0.42 0.13 -0.11 0.00 -0.69 0.00 0.00 174.62 174.38 2aff s LEU 28 N 1.55 2.71 -0.08 0.00 2.96 -1.26 -0.06 118.68 124.50 2aff s LEU 28 Ca 0.03 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2aff s LEU 28 Cb -0.14 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 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 0.09 2.85 -5.00 5.38 0.40 0.16 0.14 117.98 121.99 2aff s PHE 29 Ca -0.06 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 2aff s PHE 29 Cb -0.15 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.65 2aff s PHE 29 CO 0.05 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.54 2aff n GLY 30 N 2.59 -1.35 0.18 4.36 0.00 -0.40 -2.27 105.19 108.31 2aff n GLY 30 Ca -0.18 -1.53 -0.03 0.00 0.00 0.00 0.00 46.02 44.28 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 2.26 0.19 -6.64 1.61 3.08 -1.47 -3.20 114.38 110.21 2aff h ARG 31 Ca 0.00 -0.11 -0.58 0.00 0.07 0.00 0.00 59.98 59.36 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 0.66 -0.08 0.41 -1.07 0.00 0.00 179.97 179.89 2aff n GLY 32 N 0.05 -0.79 0.27 0.04 0.00 -0.96 -4.89 105.19 98.91 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 0.68 1.27 -0.11 -0.61 6.09 -1.90 -1.99 117.51 120.93 2aff h ILE 33 Ca -0.46 -1.15 0.03 0.00 -1.37 0.00 0.00 64.86 61.91 2aff h ILE 33 Cb 1.37 1.01 -0.00 0.00 0.47 0.00 0.00 36.82 39.67 2aff h ILE 33 CO 0.51 0.40 0.16 -0.08 -3.07 0.00 0.00 178.15 176.07 2aff h GLU 34 N 0.77 0.00 -6.31 2.19 4.81 -1.95 -3.41 114.58 110.68 2aff h GLU 34 Ca 0.14 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.78 2aff h GLU 34 Cb 0.58 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.98 2aff h GLU 34 CO 0.03 0.00 1.14 0.00 -0.73 0.00 0.00 179.01 179.45 2aff h ASP 36 N 9.55 0.00 -3.27 0.00 3.32 -0.55 -3.37 116.42 122.10 2aff h ASP 36 Ca -0.49 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 55.99 2aff h ASP 36 Cb 1.26 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.44 2aff h ASP 36 CO 0.95 0.05 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.08 2aff s ILE 37 N -4.49 1.34 -0.14 0.35 -1.09 0.26 -4.94 121.20 112.48 2aff s ILE 37 Ca -0.04 -0.66 -0.05 0.00 -2.23 0.00 0.00 60.65 57.66 2aff s ILE 37 Cb 0.15 -1.39 -0.04 0.00 -1.58 0.00 0.00 42.46 39.59 2aff s ILE 37 CO 0.57 0.26 0.06 -0.13 -1.23 0.00 0.00 174.94 174.47 2aff s ARG 38 N 1.55 3.54 -0.12 2.79 0.52 -1.26 -1.27 118.95 124.71 2aff s ARG 38 Ca 0.02 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 2aff s ARG 38 Cb -0.14 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.26 2aff s ARG 38 CO -0.09 0.52 -0.23 0.42 0.02 0.00 0.00 175.30 175.94 2aff s ILE 39 N -0.33 2.05 0.00 1.52 1.01 -1.21 -4.95 121.20 119.29 2aff s ILE 39 Ca 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2aff s ILE 39 Cb -0.12 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2aff s ILE 39 CO 0.02 0.55 1.10 0.00 0.00 0.00 0.00 174.94 176.61 2aff n GLN 40 N 3.75 0.75 -3.92 2.79 6.02 -1.26 -4.53 117.38 120.98 2aff n GLN 40 Ca -0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.45 2aff n GLN 40 Cb 0.52 -1.12 -0.10 0.00 1.02 0.00 0.00 30.24 30.56 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 3.82 0.00 1.08 1.43 -1.26 -4.97 118.68 118.78 2aff s LEU 41 Ca 0.00 0.05 0.19 0.00 -1.03 0.00 0.00 54.13 53.34 2aff s LEU 41 Cb 0.00 -1.98 0.80 0.00 0.03 0.00 0.00 46.19 45.04 2aff s LEU 41 CO 0.00 0.13 1.60 -0.81 0.23 0.00 0.00 176.35 177.50 2aff n PRO 42 N 3.83 0.01 -0.32 1.29 -0.04 -1.26 -2.25 135.00 136.27 2aff n PRO 42 Ca -0.16 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 63.58 2aff n PRO 42 Cb 0.52 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.49 0.83 -4.06 0.52 0.24 -1.26 -4.89 118.33 108.22 2aff n VAL 43 Ca 0.05 -0.84 -0.35 0.00 -2.04 0.00 0.00 64.34 61.16 2aff n VAL 43 Cb 0.21 0.42 -0.08 0.00 -1.47 0.00 0.00 33.84 32.92 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 -1.17 4.90 1.01 3.34 1.01 -0.95 -4.90 120.40 123.64 2aff s VAL 44 Ca 0.42 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 2aff s VAL 44 Cb 0.22 -3.15 0.20 0.00 0.00 0.00 0.00 36.38 33.64 2aff s VAL 44 CO 0.29 0.55 1.10 -0.44 0.00 0.00 0.00 175.10 176.59 2aff s SER 45 N -0.40 2.51 0.20 3.32 0.01 -1.26 -4.61 113.70 113.47 2aff s SER 45 Ca 0.10 1.13 -0.08 0.00 1.31 0.00 0.00 55.95 58.41 2aff s SER 45 Cb -0.12 -1.78 0.12 0.00 0.21 0.00 0.00 66.02 64.45 2aff s SER 45 CO 0.02 -3.20 1.73 0.11 0.41 0.00 0.00 173.24 172.31 2aff h LYS 46 N -1.94 1.14 0.00 12.44 1.57 -1.94 -2.66 116.57 125.18 2aff h LYS 46 Ca -0.55 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 57.88 2aff h LYS 46 Cb 1.33 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 2aff h LYS 46 CO 0.58 0.99 -1.59 1.04 -0.57 0.00 0.00 179.45 179.89 2aff n GLN 47 N -4.25 1.36 0.00 3.15 1.13 -1.26 -2.27 117.38 115.23 2aff n GLN 47 Ca 0.06 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2aff n GLN 47 Cb 0.24 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.34 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2aff n HIS 48 N -2.13 0.00 -4.31 1.08 -0.00 -1.18 -3.91 115.22 104.78 2aff n HIS 48 Ca -0.09 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.90 2aff n HIS 48 Cb 0.56 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.28 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 0.13 1.94 -0.08 0.00 2.20 -0.47 0.37 119.74 123.83 2aff s LYS 50 Ca -0.02 -0.48 0.04 0.00 -0.36 0.00 0.00 55.97 55.15 2aff s LYS 50 Cb -0.07 -1.62 -0.01 0.00 -1.51 0.00 0.00 37.83 34.61 2aff s LYS 50 CO 0.00 -0.00 -0.19 0.42 -0.36 0.00 0.00 175.35 175.22 2aff s ILE 51 N 0.80 2.59 -0.07 5.43 1.01 0.91 0.31 121.20 132.18 2aff s ILE 51 Ca -0.11 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2aff s ILE 51 Cb -0.16 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2aff s ILE 51 CO 0.02 0.56 -0.17 -1.61 0.00 0.00 0.00 174.94 173.74 2aff s GLU 52 N -0.12 2.77 -0.34 2.79 2.02 -0.79 -1.30 118.70 123.73 2aff s GLU 52 Ca -0.03 -0.75 -0.12 0.00 0.02 0.00 0.00 54.97 54.09 2aff s GLU 52 Cb -0.14 -2.39 -0.00 0.00 0.10 0.00 0.00 34.13 31.70 2aff s GLU 52 CO 0.04 0.44 0.21 0.42 0.02 0.00 0.00 175.26 176.39 2aff s ILE 53 N -0.26 4.95 -0.09 -1.63 -1.09 -0.10 -2.28 121.20 120.71 2aff s ILE 53 Ca 0.01 -0.42 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 2aff s ILE 53 Cb -0.13 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 2aff s ILE 53 CO 0.03 -0.05 -0.16 -1.00 -1.23 0.00 0.00 174.94 172.53 2aff s HIS 54 N 1.66 2.70 0.50 3.97 3.76 -0.01 -4.92 115.29 122.94 2aff s HIS 54 Ca 0.05 -0.51 0.39 0.00 -0.15 0.00 0.00 55.06 54.84 2aff s HIS 54 Cb -0.18 -1.72 1.56 0.00 1.11 0.00 0.00 32.58 33.36 2aff s HIS 54 CO 0.08 -0.08 1.63 0.93 -0.85 0.00 0.00 174.74 176.45 2aff h GLU 55 N 6.12 0.04 0.33 1.40 5.08 -2.01 0.28 114.58 125.82 2aff h GLU 55 Ca -0.34 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 2aff h GLU 55 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2aff h GLU 55 CO 0.52 0.03 -0.16 0.37 -1.00 0.00 0.00 179.01 178.77 2aff h GLN 56 N 0.04 -0.42 0.00 2.33 4.15 -2.01 -3.49 115.11 115.71 2aff h GLN 56 Ca 0.83 0.03 0.00 0.00 0.77 0.00 0.00 58.65 60.28 2aff h GLN 56 Cb 3.00 0.10 0.00 0.00 0.21 0.00 0.00 27.48 30.79 2aff h GLN 56 CO -0.21 -0.28 0.00 -0.85 -1.93 0.00 0.00 178.83 175.56 2aff n GLU 57 N -3.34 0.00 -5.16 1.69 0.28 0.99 -5.17 120.64 109.94 2aff n GLU 57 Ca -0.05 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.64 2aff n GLU 57 Cb 0.17 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 32.88 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 -1.12 2.03 -0.12 -1.84 0.00 -1.26 -0.83 121.76 118.62 2aff s ALA 58 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2aff s ALA 58 Cb 0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 2aff s ALA 58 CO 0.00 0.35 -0.20 0.42 0.00 0.00 0.00 175.76 176.33 2aff s ILE 59 N 0.02 2.35 -0.21 0.00 1.01 -0.96 0.19 121.20 123.59 2aff s ILE 59 Ca -0.08 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 2aff s ILE 59 Cb -0.14 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2aff s ILE 59 CO 0.05 0.54 0.34 -0.22 0.00 0.00 0.00 174.94 175.65 2aff s LEU 60 N 0.49 4.14 -0.09 2.97 2.96 0.35 -1.88 118.68 127.62 2aff s LEU 60 Ca -0.13 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 2aff s LEU 60 Cb -0.17 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 2aff s LEU 60 CO 0.05 -0.05 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.94 2aff s HIS 61 N 1.28 2.86 -0.45 5.38 3.76 0.15 -2.37 115.29 125.90 2aff s HIS 61 Ca 0.16 -0.23 -0.17 0.00 -0.15 0.00 0.00 55.06 54.68 2aff s HIS 61 Cb -0.14 -1.76 0.04 0.00 1.11 0.00 0.00 32.58 31.83 2aff s HIS 61 CO 0.07 0.11 0.43 1.21 -0.85 0.00 0.00 174.74 175.72 2aff s ASN 62 N -0.33 6.17 0.00 1.40 3.84 -1.26 -1.36 114.94 123.39 2aff s ASN 62 Ca 0.04 -0.96 0.22 0.00 0.21 0.00 0.00 52.86 52.36 2aff s ASN 62 Cb -0.13 -2.21 -0.14 0.00 -0.55 0.00 0.00 41.25 38.22 2aff s ASN 62 CO 0.02 -0.63 0.94 0.49 -2.79 0.00 0.00 177.10 175.13 2aff n PHE 63 N 5.50 0.01 -2.58 0.43 3.01 0.02 -4.81 117.46 119.03 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 -0.07 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 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 -3.11 6.23 0.24 4.37 0.15 0.33 -4.60 113.70 117.33 2aff s SER 64 Ca 0.07 -0.70 0.05 0.00 0.70 0.00 0.00 55.95 56.07 2aff s SER 64 Cb 0.16 -2.55 0.28 0.00 -1.71 0.00 0.00 66.02 62.20 2aff s SER 64 CO 0.85 -1.74 1.58 0.77 1.20 0.00 0.00 173.24 175.90 2aff h SER 65 N 9.93 0.25 -0.22 5.45 4.64 -1.90 -3.06 113.55 128.65 2aff h SER 65 Ca -0.18 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 2aff h SER 65 Cb 1.04 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2aff h SER 65 CO 1.30 0.78 0.07 0.74 -0.87 0.00 0.00 176.83 178.85 2aff h THR 66 N 0.17 1.19 -2.56 2.95 2.02 -1.99 -3.41 112.91 111.28 2aff h THR 66 Ca -0.00 -0.60 -0.49 0.00 0.77 0.00 0.00 66.41 66.09 2aff h THR 66 Cb 1.08 1.17 -0.38 0.00 -1.74 0.00 0.00 68.15 68.28 2aff h THR 66 CO 0.09 0.19 -0.76 0.20 0.37 0.00 0.00 175.52 175.61 2aff s ASN 67 N -5.70 2.89 0.53 4.18 0.01 -1.20 -5.14 114.94 110.52 2aff s ASN 67 Ca -0.14 -1.38 -0.21 0.00 -0.71 0.00 0.00 52.86 50.43 2aff s ASN 67 Cb 0.07 -0.12 -0.06 0.00 0.41 0.00 0.00 41.25 41.55 2aff s ASN 67 CO 0.72 -0.39 1.11 -2.65 -1.51 0.00 0.00 177.10 174.38 2aff n PRO 68 N 4.96 1.31 -2.48 -0.60 -0.02 -1.16 -4.70 135.00 132.32 2aff n PRO 68 Ca -0.01 0.49 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 2aff n PRO 68 Cb 0.42 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.37 3.58 -0.08 3.45 2.01 -1.26 -4.84 115.64 117.13 2aff s THR 69 Ca 0.71 1.20 -0.03 0.00 0.31 0.00 0.00 61.69 63.87 2aff s THR 69 Cb -0.45 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 2aff s THR 69 CO 0.51 -0.00 0.05 -1.10 -0.69 0.00 0.00 174.62 173.38 2aff s GLN 70 N -2.56 3.10 -0.03 4.92 -0.21 0.14 -1.84 119.66 123.18 2aff s GLN 70 Ca 0.59 -0.35 0.03 0.00 0.02 0.00 0.00 55.36 55.65 2aff s GLN 70 Cb -0.23 -2.90 -0.00 0.00 1.00 0.00 0.00 33.01 30.88 2aff s GLN 70 CO 0.29 0.71 -0.13 0.08 -2.12 0.00 0.00 175.29 174.12 2aff s VAL 71 N -0.97 1.12 -1.25 1.09 1.01 0.28 0.25 120.40 121.93 2aff s VAL 71 Ca 0.15 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2aff s VAL 71 Cb -0.12 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.33 2aff s VAL 71 CO 0.05 0.33 0.33 0.59 0.00 0.00 0.00 175.10 176.40 2aff n ASN 72 N 3.22 -4.17 -1.27 3.32 3.02 -0.50 0.48 115.26 119.35 2aff n ASN 72 Ca -0.18 -0.16 -0.11 0.00 -0.03 0.00 0.00 54.58 54.09 2aff n ASN 72 Cb 0.54 -3.46 -0.01 0.00 -0.61 0.00 0.00 39.78 36.23 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 -1.10 -0.07 2.89 7.41 0.00 -1.26 -5.02 105.19 108.04 2aff n GLY 73 Ca -0.08 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.50 -0.04 0.30 1.61 1.04 0.18 -5.12 113.70 109.18 2aff s SER 74 Ca 0.00 0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.27 2aff s SER 74 Cb 0.00 0.09 -0.10 0.00 0.10 0.00 0.00 66.02 66.11 2aff s SER 74 CO 0.00 -0.07 1.28 0.54 0.98 0.00 0.00 173.24 175.97 2aff s VAL 75 N 0.45 2.90 -0.24 5.02 0.11 -1.26 0.10 120.40 127.48 2aff s VAL 75 Ca -0.03 0.88 0.01 0.00 -2.93 0.00 0.00 61.98 59.90 2aff s VAL 75 Cb -0.05 -3.56 0.06 0.00 -1.53 0.00 0.00 36.38 31.30 2aff s VAL 75 CO -0.02 0.20 -0.05 -0.51 -3.33 0.00 0.00 175.10 171.40 2aff s ILE 76 N -0.95 1.53 -0.42 7.04 -1.16 -0.77 -4.87 121.20 121.61 2aff s ILE 76 Ca 0.49 -1.26 0.23 0.00 -0.51 0.00 0.00 60.65 59.61 2aff s ILE 76 Cb -0.38 -1.81 -0.01 0.00 0.61 0.00 0.00 42.46 40.86 2aff s ILE 76 CO 0.49 -0.13 1.11 -0.67 -2.81 0.00 0.00 174.94 172.93 2aff n ASP 77 N 4.66 0.74 -4.63 4.50 2.03 -1.26 -4.35 116.55 118.24 2aff n ASP 77 Ca -0.11 0.17 -0.25 0.00 0.52 0.00 0.00 54.79 55.12 2aff n ASP 77 Cb 0.44 0.46 -0.09 0.00 -0.72 0.00 0.00 41.12 41.21 2aff n ASP 77 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2aff s GLU 78 N -3.28 2.08 0.43 -0.67 2.02 -1.26 -4.89 118.70 113.14 2aff s GLU 78 Ca 0.02 -1.75 -0.25 0.00 0.02 0.00 0.00 54.97 53.01 2aff s GLU 78 Cb 0.12 -1.93 -0.09 0.00 0.10 0.00 0.00 34.13 32.32 2aff s GLU 78 CO 0.77 0.13 1.26 -2.30 0.02 0.00 0.00 175.26 175.15 2aff n PRO 79 N -0.96 1.88 -3.87 0.39 -0.02 -1.26 -4.82 135.00 126.34 2aff n PRO 79 Ca -0.04 0.67 -0.12 0.00 -2.02 0.00 0.00 63.50 61.98 2aff n PRO 79 Cb 0.62 -2.38 -0.14 0.00 -0.02 0.00 0.00 33.50 31.58 2aff n PRO 79 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2aff s VAL 80 N -1.21 0.00 0.09 -1.45 0.11 -1.00 -5.00 120.40 111.95 2aff s VAL 80 Ca 0.62 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.39 2aff s VAL 80 Cb -0.50 -0.03 -0.06 0.00 -1.53 0.00 0.00 36.38 34.27 2aff s VAL 80 CO 0.57 0.01 1.04 -0.13 -3.33 0.00 0.00 175.10 173.26 2aff s ARG 81 N 0.11 4.60 0.12 1.54 0.52 -1.26 -0.50 118.95 124.08 2aff s ARG 81 Ca -0.01 1.56 -0.22 0.00 -0.52 0.00 0.00 55.73 56.54 2aff s ARG 81 Cb -0.01 -3.37 -0.07 0.00 0.52 0.00 0.00 34.95 32.02 2aff s ARG 81 CO -0.00 0.04 0.67 -0.51 0.02 0.00 0.00 175.30 175.52 2aff s LEU 82 N 0.33 4.56 0.10 2.53 1.43 0.50 -4.91 118.68 123.21 2aff s LEU 82 Ca 0.51 1.45 0.03 0.00 -1.03 0.00 0.00 54.13 55.09 2aff s LEU 82 Cb -0.25 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2aff s LEU 82 CO 0.30 0.24 -0.10 -0.54 0.23 0.00 0.00 176.35 176.49 2aff s LYS 83 N -1.10 0.84 -0.22 1.70 1.02 -1.26 -4.23 119.74 116.49 2aff s LYS 83 Ca 0.32 -1.16 -0.32 0.00 0.02 0.00 0.00 55.97 54.83 2aff s LYS 83 Cb -0.21 -0.50 -0.09 0.00 -0.52 0.00 0.00 37.83 36.50 2aff s LYS 83 CO 0.23 0.07 2.10 1.58 -0.92 0.00 0.00 175.35 178.41 2aff n HIS 84 N 0.54 1.96 0.00 3.18 -0.00 -1.26 -0.81 115.22 118.83 2aff n HIS 84 Ca -0.16 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 2aff n HIS 84 Cb 0.58 -2.64 0.00 0.00 -0.00 0.00 0.00 29.99 27.92 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 5.60 2.20 3.73 1.57 0.00 -1.01 -4.97 105.19 112.31 2aff n GLY 85 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.80 6.96 -0.14 1.61 1.01 0.01 -4.85 116.67 119.47 2aff s ASP 86 Ca 0.00 2.29 -0.04 0.00 0.71 0.00 0.00 52.55 55.52 2aff s ASP 86 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2aff s ASP 86 CO 0.00 -0.50 -0.02 0.54 0.21 0.00 0.00 175.17 175.41 2aff s VAL 87 N 0.35 4.11 -0.17 -1.27 0.11 -1.26 -1.90 120.40 120.36 2aff s VAL 87 Ca 0.57 -0.29 -0.12 0.00 -2.93 0.00 0.00 61.98 59.21 2aff s VAL 87 Cb -0.35 -2.78 -0.05 0.00 -1.53 0.00 0.00 36.38 31.67 2aff s VAL 87 CO 0.35 0.52 0.23 -0.63 -3.33 0.00 0.00 175.10 172.24 2aff s ILE 88 N 0.02 5.35 -0.12 7.04 1.01 -0.52 -1.41 121.20 132.56 2aff s ILE 88 Ca 0.02 0.41 0.02 0.00 0.00 0.00 0.00 60.65 61.10 2aff s ILE 88 Cb -0.13 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.78 2aff s ILE 88 CO 0.02 0.41 -0.20 -0.89 0.00 0.00 0.00 174.94 174.29 2aff s THR 89 N 0.39 1.83 -0.21 2.92 2.01 0.70 0.06 115.64 123.34 2aff s THR 89 Ca 0.13 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 2aff s THR 89 Cb -0.12 -1.63 -0.00 0.00 0.01 0.00 0.00 72.50 70.76 2aff s THR 89 CO 0.02 0.51 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.76 2aff s ILE 90 N 0.78 3.19 0.00 1.82 1.01 0.84 -0.68 121.20 128.17 2aff s ILE 90 Ca -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2aff s ILE 90 Cb -0.16 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.87 2aff s ILE 90 CO 0.00 0.44 0.00 -0.38 0.00 0.00 0.00 174.94 175.00 2aff n ILE 91 N 4.76 0.00 -0.51 2.92 5.41 -1.26 0.28 119.36 130.96 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 0.08 0.00 -0.71 0.00 0.00 39.64 39.51 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2aff n ASP 92 N 1.43 2.25 -4.18 4.38 2.03 -1.26 -5.02 116.55 116.19 2aff n ASP 92 Ca 0.00 -2.52 -0.21 0.00 0.52 0.00 0.00 54.79 52.59 2aff n ASP 92 Cb 0.00 -0.22 -0.13 0.00 -0.72 0.00 0.00 41.12 40.05 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2aff s ARG 93 N -1.89 1.00 0.04 -0.67 0.52 0.81 -4.56 118.95 114.20 2aff s ARG 93 Ca 0.16 -0.86 -0.00 0.00 -0.52 0.00 0.00 55.73 54.52 2aff s ARG 93 Cb 0.14 -1.05 -0.03 0.00 0.52 0.00 0.00 34.95 34.53 2aff s ARG 93 CO 0.02 0.26 -0.04 0.45 0.02 0.00 0.00 175.30 176.01 2aff s SER 94 N -1.32 0.42 -0.12 0.23 0.15 -1.26 0.29 113.70 112.10 2aff s SER 94 Ca 0.02 -0.70 0.01 0.00 0.70 0.00 0.00 55.95 55.97 2aff s SER 94 Cb -0.09 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.37 2aff s SER 94 CO 0.02 -0.40 -0.12 -0.36 1.20 0.00 0.00 173.24 173.57 2aff s PHE 95 N -2.42 1.85 0.00 3.44 0.40 0.11 -1.29 117.98 120.07 2aff s PHE 95 Ca -0.06 -0.95 -0.28 0.00 -0.60 0.00 0.00 56.93 55.05 2aff s PHE 95 Cb -0.03 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 2aff s PHE 95 CO -0.04 -0.55 0.87 1.03 0.70 0.00 0.00 175.22 177.23 2aff s ARG 96 N 1.40 4.54 -0.24 0.44 0.52 -0.48 -1.44 118.95 123.68 2aff s ARG 96 Ca 0.01 1.23 -0.18 0.00 -0.52 0.00 0.00 55.73 56.27 2aff s ARG 96 Cb -0.13 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 2aff s ARG 96 CO -0.07 0.06 0.51 -0.47 0.02 0.00 0.00 175.30 175.36 2aff s TYR 97 N 0.66 3.30 -0.07 -0.53 5.04 -0.80 -1.89 117.35 123.07 2aff s TYR 97 Ca 0.46 0.67 0.03 0.00 -2.44 0.00 0.00 57.07 55.79 2aff s TYR 97 Cb -0.20 -2.70 0.01 0.00 0.35 0.00 0.00 41.96 39.41 2aff s TYR 97 CO 0.25 -0.22 -0.15 -1.21 -1.34 0.00 0.00 175.55 172.87 2aff s GLU 98 N 2.08 1.95 -0.39 4.97 2.02 -0.56 -2.42 118.70 126.36 2aff s GLU 98 Ca 0.22 -0.54 -0.09 0.00 0.02 0.00 0.00 54.97 54.58 2aff s GLU 98 Cb -0.16 -1.59 0.06 0.00 0.10 0.00 0.00 34.13 32.54 2aff s GLU 98 CO 0.09 0.11 0.21 1.21 0.02 0.00 0.00 175.26 176.89 2aff s ASN 99 N 0.45 5.58 0.00 -0.19 3.84 -1.26 -1.87 114.94 121.49 2aff s ASN 99 Ca -0.13 -1.29 0.00 0.00 0.21 0.00 0.00 52.86 51.66 2aff s ASN 99 Cb -0.15 -1.97 0.00 0.00 -0.55 0.00 0.00 41.25 38.58 2aff s ASN 99 CO 0.04 -0.44 0.00 -0.62 -2.79 0.00 0.00 177.10 173.29