#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 1.42 -3.45 0.52 2.02 -1.93 -3.44 112.91 108.05 2aff h THR 4 Ca 0.00 -1.87 -0.60 0.00 0.77 0.00 0.00 66.41 64.71 2aff h THR 4 Cb 0.00 2.42 -0.11 0.00 -1.74 0.00 0.00 68.15 68.72 2aff h THR 4 CO 0.00 0.54 -0.17 -0.13 0.37 0.00 0.00 175.52 176.14 2aff s ARG 5 N -3.48 4.20 -0.01 6.66 0.52 -1.26 -1.00 118.95 124.58 2aff s ARG 5 Ca -0.14 0.26 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 2aff s ARG 5 Cb 0.04 -3.53 -0.02 0.00 0.52 0.00 0.00 34.95 31.96 2aff s ARG 5 CO 0.80 -0.03 -0.21 1.03 0.02 0.00 0.00 175.30 176.91 2aff s ARG 6 N 1.28 1.64 -0.12 3.54 0.52 -0.67 -2.01 118.95 123.14 2aff s ARG 6 Ca 0.21 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 2aff s ARG 6 Cb -0.15 -1.61 -0.02 0.00 0.52 0.00 0.00 34.95 33.70 2aff s ARG 6 CO 0.08 0.44 -0.12 -1.17 0.02 0.00 0.00 175.30 174.55 2aff s LEU 7 N -0.56 2.77 -0.14 2.53 2.96 -0.59 -1.90 118.68 123.75 2aff s LEU 7 Ca 0.08 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2aff s LEU 7 Cb -0.08 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 2aff s LEU 7 CO -0.01 0.19 -0.07 0.68 -1.32 0.00 0.00 176.35 175.83 2aff s VAL 8 N 0.20 3.65 0.29 1.68 -7.23 -1.06 0.13 120.40 118.06 2aff s VAL 8 Ca -0.07 -0.45 -0.28 0.00 -1.81 0.00 0.00 61.98 59.36 2aff s VAL 8 Cb -0.15 -2.57 -0.09 0.00 0.56 0.00 0.00 36.38 34.12 2aff s VAL 8 CO 0.05 0.51 0.98 -0.89 -0.31 0.00 0.00 175.10 175.44 2aff s THR 9 N 0.26 3.97 -0.10 5.32 2.01 -0.97 -2.32 115.64 123.80 2aff s THR 9 Ca -0.05 1.82 -0.01 0.00 0.31 0.00 0.00 61.69 63.76 2aff s THR 9 Cb -0.14 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 2aff s THR 9 CO 0.04 0.31 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.59 2aff s ILE 10 N -1.36 3.77 0.31 1.82 -1.09 -0.35 -1.63 121.20 122.66 2aff s ILE 10 Ca 0.46 -0.44 -0.06 0.00 -2.23 0.00 0.00 60.65 58.39 2aff s ILE 10 Cb -0.24 -2.58 -0.05 0.00 -1.58 0.00 0.00 42.46 38.00 2aff s ILE 10 CO 0.31 0.56 0.58 -0.54 -1.23 0.00 0.00 174.94 174.63 2aff s LYS 11 N -0.40 3.65 0.57 2.79 1.02 0.74 -4.17 119.74 123.94 2aff s LYS 11 Ca 0.06 0.07 0.28 0.00 0.02 0.00 0.00 55.97 56.39 2aff s LYS 11 Cb -0.12 -2.61 1.51 0.00 -0.52 0.00 0.00 37.83 36.08 2aff s LYS 11 CO 0.02 0.18 2.00 0.00 -0.92 0.00 0.00 175.35 176.62 2aff h ARG 12 N 1.60 0.00 -0.00 1.68 3.08 -1.89 1.58 114.38 120.43 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 0.66 0.00 -0.02 -1.13 -1.07 0.00 0.00 179.97 178.41 2aff n SER 13 N -3.97 0.04 -0.33 7.04 3.41 -1.26 -4.89 113.62 113.65 2aff n SER 13 Ca 0.07 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2aff n SER 13 Cb 0.54 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 1.37 0.97 3.17 5.00 0.00 0.54 -5.09 105.19 111.16 2aff n GLY 14 Ca 0.11 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.67 1.52 0.06 1.61 1.01 -1.22 -4.83 120.40 115.88 2aff s VAL 15 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.88 2aff s VAL 15 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 35.03 2aff s VAL 15 CO 0.00 0.43 1.40 -0.62 0.00 0.00 0.00 175.10 176.31 2aff s ASP 16 N -0.21 6.84 0.00 3.32 -1.08 -1.26 -0.19 116.67 124.10 2aff s ASP 16 Ca 0.02 2.21 0.00 0.00 -0.52 0.00 0.00 52.55 54.26 2aff s ASP 16 Cb -0.10 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 2aff s ASP 16 CO 0.01 -0.68 0.00 0.61 0.52 0.00 0.00 175.17 175.63 2aff n GLY 17 N 3.57 1.51 3.81 2.66 0.00 -0.65 -4.95 105.19 111.15 2aff n GLY 17 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 3.75 3.48 -0.06 1.61 0.04 -1.26 -4.71 135.00 137.84 2aff s PRO 18 Ca 0.00 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2aff s PRO 18 Cb 0.00 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2aff s PRO 18 CO 0.00 -0.68 -0.05 -1.01 0.04 0.00 0.00 177.00 175.31 2aff s HIS 19 N -2.44 3.00 -0.35 0.56 3.76 -1.26 -2.30 115.29 116.26 2aff s HIS 19 Ca 0.63 0.07 -0.04 0.00 -0.15 0.00 0.00 55.06 55.57 2aff s HIS 19 Cb -0.15 -1.72 0.07 0.00 1.11 0.00 0.00 32.58 31.89 2aff s HIS 19 CO 0.34 0.38 0.11 0.12 -0.85 0.00 0.00 174.74 174.84 2aff s PHE 20 N -0.86 3.38 -0.02 1.40 5.36 0.12 -4.96 117.98 122.40 2aff s PHE 20 Ca 0.13 -1.96 -0.30 0.00 -0.96 0.00 0.00 56.93 53.85 2aff s PHE 20 Cb -0.11 -2.59 -0.04 0.00 -0.34 0.00 0.00 43.02 39.94 2aff s PHE 20 CO 0.03 -0.85 1.22 -1.25 -1.46 0.00 0.00 175.22 172.91 2aff s PRO 21 N 1.25 4.36 -0.50 10.12 0.04 -1.26 -1.54 135.00 147.47 2aff s PRO 21 Ca 0.01 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 2aff s PRO 21 Cb -0.21 -3.52 -0.14 0.00 0.04 0.00 0.00 34.50 30.67 2aff s PRO 21 CO -0.01 -0.42 3.25 1.28 0.04 0.00 0.00 177.00 181.13 2aff n LEU 22 N 4.95 6.37 0.24 -3.56 4.77 -0.85 -4.48 117.00 124.44 2aff n LEU 22 Ca 0.11 -3.71 0.08 0.00 -0.03 0.00 0.00 56.01 52.47 2aff n LEU 22 Cb 0.46 -1.41 0.59 0.00 -2.33 0.00 0.00 43.42 40.73 2aff n LEU 22 CO 0.56 1.81 0.91 -1.28 -1.33 0.00 0.00 177.39 178.06 2aff h SER 23 N 3.50 0.00 -3.85 -1.43 0.87 -1.91 -3.42 113.55 107.31 2aff h SER 23 Ca 0.40 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.48 2aff h SER 23 Cb 1.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2aff h SER 23 CO 0.75 0.18 0.36 -0.76 -0.53 0.00 0.00 176.83 176.83 2aff s LEU 24 N -7.96 4.42 0.53 2.23 1.43 -1.26 -4.93 118.68 113.15 2aff s LEU 24 Ca -0.03 1.92 0.36 0.00 -1.03 0.00 0.00 54.13 55.34 2aff s LEU 24 Cb 0.14 -3.89 1.78 0.00 0.03 0.00 0.00 46.19 44.26 2aff s LEU 24 CO 0.65 -0.05 2.08 -1.28 0.23 0.00 0.00 176.35 177.98 2aff h SER 25 N 3.43 0.00 -3.55 2.29 0.87 -1.89 -3.41 113.55 111.29 2aff h SER 25 Ca -0.46 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 59.63 2aff h SER 25 Cb 1.20 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.83 2aff h SER 25 CO 0.66 0.00 -0.80 -0.89 -0.53 0.00 0.00 176.83 175.27 2aff s THR 26 N -3.83 0.88 -0.19 2.23 2.01 -1.26 -0.80 115.64 114.68 2aff s THR 26 Ca -0.02 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.63 2aff s THR 26 Cb 0.10 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.83 2aff s THR 26 CO 0.40 0.29 -0.11 0.00 -0.69 0.00 0.00 174.62 174.52 2aff s LEU 28 N 1.40 2.88 -0.11 0.00 2.96 -1.26 0.00 118.68 124.54 2aff s LEU 28 Ca -0.01 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 2aff s LEU 28 Cb -0.16 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2aff s LEU 28 CO -0.08 0.03 0.09 -0.36 -1.32 0.00 0.00 176.35 174.71 2aff s PHE 29 N 1.16 3.45 -3.23 5.38 0.40 0.20 0.17 117.98 125.50 2aff s PHE 29 Ca 0.02 0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.75 2aff s PHE 29 Cb -0.14 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.48 2aff s PHE 29 CO -0.01 0.63 0.00 0.41 0.70 0.00 0.00 175.22 176.94 2aff n GLY 30 N 2.12 -1.49 0.09 4.36 0.00 -0.68 -2.17 105.19 107.42 2aff n GLY 30 Ca -0.19 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 2aff n GLY 30 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2aff h ARG 31 N 0.00 0.04 -7.14 1.61 2.43 0.68 -2.59 114.38 109.42 2aff h ARG 31 Ca 0.00 -0.08 -0.55 0.00 -0.81 0.00 0.00 59.98 58.54 2aff h ARG 31 Cb 0.00 0.03 0.16 0.00 -0.42 0.00 0.00 29.97 29.74 2aff h ARG 31 CO 0.00 0.63 0.47 0.20 -1.51 0.00 0.00 179.97 179.76 2aff s GLY 32 N -5.15 2.67 0.14 2.80 0.00 -1.01 -4.77 107.32 102.00 2aff s GLY 32 Ca -0.07 1.11 -0.15 0.00 0.00 0.00 0.00 44.72 45.61 2aff s GLY 32 CO 0.82 1.54 1.69 -2.22 0.00 0.00 0.00 173.10 174.92 2aff h ILE 33 N 0.17 1.21 0.00 0.90 1.08 -1.92 -2.04 117.51 116.91 2aff h ILE 33 Ca -0.50 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.33 2aff h ILE 33 Cb 1.33 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.87 2aff h ILE 33 CO 0.51 0.24 0.33 -0.08 -0.69 0.00 0.00 178.15 178.46 2aff h GLU 34 N 0.58 0.00 -6.57 2.37 4.81 -1.93 -3.41 114.58 110.43 2aff h GLU 34 Ca 0.15 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.85 2aff h GLU 34 Cb 0.20 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.62 2aff h GLU 34 CO -0.01 0.00 0.97 0.00 -0.73 0.00 0.00 179.01 179.24 2aff h ASP 36 N 7.41 0.15 -3.34 0.00 3.32 0.14 -3.36 116.42 120.75 2aff h ASP 36 Ca -0.43 -0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.01 2aff h ASP 36 Cb 1.20 -0.04 -0.37 0.00 0.22 0.00 0.00 39.33 40.35 2aff h ASP 36 CO 0.93 0.10 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.11 2aff s ILE 37 N -5.20 1.57 -0.13 0.35 1.01 0.00 -4.95 121.20 113.86 2aff s ILE 37 Ca -0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 2aff s ILE 37 Cb 0.17 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2aff s ILE 37 CO 0.70 0.24 0.17 -0.13 0.00 0.00 0.00 174.94 175.91 2aff s ARG 38 N 1.44 3.66 -0.11 2.79 0.52 -1.26 -1.69 118.95 124.31 2aff s ARG 38 Ca 0.00 -0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.16 2aff s ARG 38 Cb -0.15 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.07 2aff s ARG 38 CO -0.09 0.66 -0.23 0.42 0.02 0.00 0.00 175.30 176.08 2aff s ILE 39 N -0.70 2.09 -0.64 1.52 1.01 -0.97 -4.98 121.20 118.53 2aff s ILE 39 Ca 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2aff s ILE 39 Cb -0.12 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.54 2aff s ILE 39 CO 0.04 0.56 0.30 0.00 0.00 0.00 0.00 174.94 175.84 2aff n GLN 40 N 3.63 0.45 -4.16 2.79 6.02 -1.26 -4.70 117.38 120.14 2aff n GLN 40 Ca -0.19 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.46 2aff n GLN 40 Cb 0.53 -1.24 -0.11 0.00 1.02 0.00 0.00 30.24 30.44 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 3.57 0.02 1.08 1.43 -1.26 -4.98 118.68 118.54 2aff s LEU 41 Ca 0.00 -0.01 0.19 0.00 -1.03 0.00 0.00 54.13 53.28 2aff s LEU 41 Cb 0.00 -1.89 0.80 0.00 0.03 0.00 0.00 46.19 45.13 2aff s LEU 41 CO 0.00 0.17 1.60 -0.81 0.23 0.00 0.00 176.35 177.54 2aff n PRO 42 N 3.56 0.02 -0.03 1.29 -0.04 -1.26 -2.39 135.00 136.15 2aff n PRO 42 Ca -0.17 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.62 2aff n PRO 42 Cb 0.52 -1.53 0.42 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.56 0.08 -3.32 0.52 0.24 -1.26 -4.85 118.33 108.18 2aff n VAL 43 Ca 0.04 -0.33 -0.38 0.00 -2.04 0.00 0.00 64.34 61.63 2aff n VAL 43 Cb 0.22 0.60 -0.06 0.00 -1.47 0.00 0.00 33.84 33.14 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 -1.92 4.97 0.94 3.34 1.01 -1.00 -4.94 120.40 122.80 2aff s VAL 44 Ca 0.35 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 63.27 2aff s VAL 44 Cb 0.20 -3.84 0.15 0.00 0.00 0.00 0.00 36.38 32.89 2aff s VAL 44 CO 0.31 0.46 1.10 -0.44 0.00 0.00 0.00 175.10 176.54 2aff s SER 45 N -0.40 3.21 0.22 3.32 0.01 -1.26 -4.27 113.70 114.52 2aff s SER 45 Ca 0.27 1.19 -0.10 0.00 1.31 0.00 0.00 55.95 58.63 2aff s SER 45 Cb -0.17 -1.84 0.17 0.00 0.21 0.00 0.00 66.02 64.39 2aff s SER 45 CO 0.15 -2.77 1.88 0.11 0.41 0.00 0.00 173.24 173.02 2aff h LYS 46 N -1.64 1.05 0.00 12.44 1.57 -1.93 0.81 116.57 128.87 2aff h LYS 46 Ca -0.52 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2aff h LYS 46 Cb 1.32 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2aff h LYS 46 CO 0.58 0.71 -0.95 1.04 -0.57 0.00 0.00 179.45 180.26 2aff n GLN 47 N -4.52 1.42 0.00 3.15 6.02 -1.26 -2.40 117.38 119.79 2aff n GLN 47 Ca 0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2aff n GLN 47 Cb 0.02 -1.00 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 -1.51 0.00 -4.33 1.08 -0.00 -1.16 -4.01 115.22 105.29 2aff n HIS 48 Ca -0.00 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.99 2aff n HIS 48 Cb 0.10 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.81 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 0.06 1.51 -0.08 0.00 2.20 -0.67 0.59 119.74 123.36 2aff s LYS 50 Ca -0.01 -0.44 0.03 0.00 -0.36 0.00 0.00 55.97 55.20 2aff s LYS 50 Cb -0.06 -1.30 -0.02 0.00 -1.51 0.00 0.00 37.83 34.94 2aff s LYS 50 CO 0.00 0.11 -0.18 0.42 -0.36 0.00 0.00 175.35 175.34 2aff s ILE 51 N 0.35 2.63 -0.17 5.43 1.01 0.10 0.25 121.20 130.80 2aff s ILE 51 Ca -0.08 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 2aff s ILE 51 Cb -0.13 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 2aff s ILE 51 CO 0.02 0.56 -0.13 -1.61 0.00 0.00 0.00 174.94 173.79 2aff s GLU 52 N -0.11 3.24 -0.33 2.79 2.02 -0.51 -1.37 118.70 124.43 2aff s GLU 52 Ca -0.03 -0.72 -0.10 0.00 0.02 0.00 0.00 54.97 54.13 2aff s GLU 52 Cb -0.14 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.37 2aff s GLU 52 CO 0.04 -0.06 0.18 0.42 0.02 0.00 0.00 175.26 175.86 2aff s ILE 53 N 1.03 4.69 -0.03 -1.63 1.01 0.02 -1.06 121.20 125.22 2aff s ILE 53 Ca -0.01 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2aff s ILE 53 Cb -0.15 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 2aff s ILE 53 CO -0.03 -0.03 -0.09 -1.00 0.00 0.00 0.00 174.94 173.79 2aff s HIS 54 N 1.61 2.84 0.60 3.97 3.76 0.13 -4.87 115.29 123.34 2aff s HIS 54 Ca 0.04 -0.06 0.20 0.00 -0.15 0.00 0.00 55.06 55.10 2aff s HIS 54 Cb -0.18 -1.64 0.70 0.00 1.11 0.00 0.00 32.58 32.57 2aff s HIS 54 CO 0.07 0.31 1.20 0.39 -0.85 0.00 0.00 174.74 175.86 2aff n GLU 55 N 1.97 0.02 0.02 1.40 4.71 -1.26 0.57 120.64 128.07 2aff n GLU 55 Ca -0.17 0.98 -0.01 0.00 -0.01 0.00 0.00 57.16 57.95 2aff n GLU 55 Cb 0.53 -2.48 -0.00 0.00 -1.01 0.00 0.00 31.44 28.47 2aff n GLU 55 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 2aff h GLN 56 N 0.00 -0.06 0.00 3.49 4.15 -2.00 -3.49 115.11 117.19 2aff h GLN 56 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.80 2aff h GLN 56 Cb 2.68 0.01 0.00 0.00 0.21 0.00 0.00 27.48 30.38 2aff h GLN 56 CO -0.00 -0.04 0.00 -1.91 -1.93 0.00 0.00 178.83 174.95 2aff n GLU 57 N -2.25 0.00 -4.50 1.69 4.07 0.19 -5.15 120.64 114.69 2aff n GLU 57 Ca -0.01 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.76 2aff n GLU 57 Cb 0.02 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.25 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2aff s ALA 58 N -1.10 2.52 -0.13 4.31 0.00 -1.26 0.22 121.76 126.32 2aff s ALA 58 Ca 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 2aff s ALA 58 Cb 0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 2aff s ALA 58 CO 0.00 -0.04 -0.12 0.42 0.00 0.00 0.00 175.76 176.02 2aff s ILE 59 N 0.82 3.10 -0.18 0.00 1.01 -0.23 0.11 121.20 125.83 2aff s ILE 59 Ca -0.05 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 2aff s ILE 59 Cb -0.15 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2aff s ILE 59 CO -0.00 0.52 0.40 -0.22 0.00 0.00 0.00 174.94 175.64 2aff s LEU 60 N 0.36 4.19 -0.08 2.97 2.96 0.37 -1.42 118.68 128.02 2aff s LEU 60 Ca -0.10 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 2aff s LEU 60 Cb -0.16 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 2aff s LEU 60 CO 0.05 -0.05 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.93 2aff s HIS 61 N 1.10 2.82 -0.43 5.38 3.76 0.14 -1.57 115.29 126.49 2aff s HIS 61 Ca 0.20 -0.24 -0.16 0.00 -0.15 0.00 0.00 55.06 54.71 2aff s HIS 61 Cb -0.15 -1.73 0.03 0.00 1.11 0.00 0.00 32.58 31.84 2aff s HIS 61 CO 0.08 0.11 0.38 1.21 -0.85 0.00 0.00 174.74 175.67 2aff s ASN 62 N -0.39 6.15 -0.00 1.40 3.04 -1.26 -1.66 114.94 122.22 2aff s ASN 62 Ca 0.05 -0.92 0.21 0.00 0.04 0.00 0.00 52.86 52.24 2aff s ASN 62 Cb -0.12 -2.19 -0.24 0.00 -1.54 0.00 0.00 41.25 37.15 2aff s ASN 62 CO 0.02 -0.56 0.84 0.49 -3.04 0.00 0.00 177.10 174.86 2aff n PHE 63 N 5.37 0.00 -2.05 0.43 3.01 -0.70 -4.87 117.46 118.65 2aff n PHE 63 Ca -0.10 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.96 2aff n PHE 63 Cb 0.46 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 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 -3.18 5.51 0.08 4.37 0.15 -0.80 -4.70 113.70 115.13 2aff s SER 64 Ca 0.06 0.63 0.26 0.00 0.70 0.00 0.00 55.95 57.60 2aff s SER 64 Cb 0.16 -2.53 0.73 0.00 -1.71 0.00 0.00 66.02 62.67 2aff s SER 64 CO 0.87 -2.14 1.61 -1.54 1.20 0.00 0.00 173.24 173.25 2aff n SER 65 N 11.84 0.50 -0.10 5.45 3.41 -1.26 -3.26 113.62 130.19 2aff n SER 65 Ca 0.21 0.25 -0.16 0.00 -0.26 0.00 0.00 58.87 58.90 2aff n SER 65 Cb 0.50 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 64.10 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2aff n THR 66 N -1.85 1.51 -3.41 6.66 -1.04 -1.26 -4.85 114.28 110.05 2aff n THR 66 Ca 0.05 -0.66 -0.23 0.00 -2.04 0.00 0.00 64.05 61.18 2aff n THR 66 Cb 0.39 -1.23 -0.10 0.00 -1.82 0.00 0.00 70.33 67.57 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 -6.34 2.03 0.52 8.00 0.01 -1.25 -5.14 114.94 112.77 2aff s ASN 67 Ca -0.26 -1.86 -0.22 0.00 -0.71 0.00 0.00 52.86 49.81 2aff s ASN 67 Cb 0.08 0.10 -0.07 0.00 0.41 0.00 0.00 41.25 41.78 2aff s ASN 67 CO 0.69 -0.28 1.14 -2.65 -1.51 0.00 0.00 177.10 174.48 2aff n PRO 68 N 4.16 1.38 -2.44 -0.60 -0.02 -1.20 -4.65 135.00 131.62 2aff n PRO 68 Ca 0.11 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 2aff n PRO 68 Cb 0.41 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.35 3.46 -0.09 3.45 2.01 -1.26 -4.81 115.64 117.05 2aff s THR 69 Ca 0.70 1.23 -0.04 0.00 0.31 0.00 0.00 61.69 63.89 2aff s THR 69 Cb -0.46 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 2aff s THR 69 CO 0.51 0.11 0.09 -1.10 -0.69 0.00 0.00 174.62 173.54 2aff s GLN 70 N -2.20 3.23 -0.04 4.92 -0.21 -0.67 -2.15 119.66 122.55 2aff s GLN 70 Ca 0.55 -0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.67 2aff s GLN 70 Cb -0.27 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 30.74 2aff s GLN 70 CO 0.34 0.73 -0.11 0.08 -2.12 0.00 0.00 175.29 174.21 2aff s VAL 71 N -1.02 0.98 -1.37 1.09 1.01 0.16 0.22 120.40 121.47 2aff s VAL 71 Ca 0.16 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 2aff s VAL 71 Cb -0.12 -0.87 0.04 0.00 0.00 0.00 0.00 36.38 35.43 2aff s VAL 71 CO 0.06 0.30 0.47 0.59 0.00 0.00 0.00 175.10 176.52 2aff n ASN 72 N 3.36 -4.67 -1.14 3.32 3.02 0.14 -0.59 115.26 118.69 2aff n ASN 72 Ca -0.19 -0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 53.97 2aff n ASN 72 Cb 0.53 -3.83 -0.01 0.00 -0.61 0.00 0.00 39.78 35.87 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 -1.26 0.02 2.98 7.41 0.00 -1.26 -5.02 105.19 108.05 2aff n GLY 73 Ca -0.07 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.56 -0.13 0.30 1.61 0.15 0.24 -5.12 113.70 108.19 2aff s SER 74 Ca 0.00 0.28 -0.29 0.00 0.70 0.00 0.00 55.95 56.64 2aff s SER 74 Cb 0.00 0.24 -0.10 0.00 -1.71 0.00 0.00 66.02 64.46 2aff s SER 74 CO 0.00 -0.08 1.20 0.54 1.20 0.00 0.00 173.24 176.10 2aff s VAL 75 N 0.43 3.11 -0.07 4.45 0.11 -1.26 0.38 120.40 127.55 2aff s VAL 75 Ca -0.03 1.12 0.00 0.00 -2.93 0.00 0.00 61.98 60.14 2aff s VAL 75 Cb -0.04 -3.71 0.02 0.00 -1.53 0.00 0.00 36.38 31.12 2aff s VAL 75 CO -0.02 0.27 -0.05 -0.51 -3.33 0.00 0.00 175.10 171.46 2aff s ILE 76 N -1.14 0.69 -1.14 7.04 -1.16 -0.91 -4.90 121.20 119.68 2aff s ILE 76 Ca 0.47 -0.16 0.22 0.00 -0.51 0.00 0.00 60.65 60.67 2aff s ILE 76 Cb -0.36 -0.73 -0.14 0.00 0.61 0.00 0.00 42.46 41.84 2aff s ILE 76 CO 0.47 0.28 1.04 0.47 -2.81 0.00 0.00 174.94 174.39 2aff n ASP 77 N 4.44 1.02 -4.51 4.50 8.00 -1.26 -4.25 116.55 124.49 2aff n ASP 77 Ca -0.18 -0.91 -0.24 0.00 0.71 0.00 0.00 54.79 54.17 2aff n ASP 77 Cb 0.51 0.77 -0.11 0.00 -0.02 0.00 0.00 41.12 42.27 2aff n ASP 77 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2aff s GLU 78 N -2.93 1.78 0.46 -1.24 2.02 -1.26 -4.83 118.70 112.70 2aff s GLU 78 Ca 0.10 -2.00 -0.25 0.00 0.02 0.00 0.00 54.97 52.85 2aff s GLU 78 Cb 0.17 -1.14 -0.08 0.00 0.10 0.00 0.00 34.13 33.18 2aff s GLU 78 CO 0.79 -0.15 1.40 -2.14 0.02 0.00 0.00 175.26 175.18 2aff s PRO 79 N -3.82 3.65 -0.01 0.39 0.02 -1.26 -4.67 135.00 129.29 2aff s PRO 79 Ca 0.35 2.35 0.01 0.00 0.02 0.00 0.00 61.00 63.74 2aff s PRO 79 Cb 0.09 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 32.00 2aff s PRO 79 CO 0.16 -0.82 -0.04 0.08 -0.33 0.00 0.00 177.00 176.05 2aff s VAL 80 N -1.23 0.37 0.09 3.83 1.01 -0.61 -4.98 120.40 118.89 2aff s VAL 80 Ca 0.62 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2aff s VAL 80 Cb -0.42 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 35.55 2aff s VAL 80 CO 0.54 0.13 1.13 -0.60 0.00 0.00 0.00 175.10 176.30 2aff s ARG 81 N 0.21 4.51 0.09 2.72 3.52 -1.26 -0.48 118.95 128.25 2aff s ARG 81 Ca -0.02 1.69 -0.25 0.00 -0.13 0.00 0.00 55.73 57.03 2aff s ARG 81 Cb -0.06 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.93 2aff s ARG 81 CO -0.00 -0.11 0.75 -0.51 -0.81 0.00 0.00 175.30 174.62 2aff s LEU 82 N 0.57 4.50 0.09 -0.88 1.43 0.29 -4.91 118.68 119.78 2aff s LEU 82 Ca 0.54 1.50 0.08 0.00 -1.03 0.00 0.00 54.13 55.22 2aff s LEU 82 Cb -0.28 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 2aff s LEU 82 CO 0.31 0.10 -0.20 -0.54 0.23 0.00 0.00 176.35 176.25 2aff s LYS 83 N -0.49 1.12 -0.23 1.70 -0.14 -1.26 -4.43 119.74 116.01 2aff s LYS 83 Ca 0.37 -1.10 -0.33 0.00 -1.36 0.00 0.00 55.97 53.54 2aff s LYS 83 Cb -0.21 -1.33 -0.10 0.00 -1.68 0.00 0.00 37.83 34.50 2aff s LYS 83 CO 0.24 0.31 2.08 1.58 -0.76 0.00 0.00 175.35 178.80 2aff n HIS 84 N 1.23 1.96 0.00 3.18 -0.00 -1.26 -0.71 115.22 119.61 2aff n HIS 84 Ca -0.19 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.07 2aff n HIS 84 Cb 0.54 -2.62 0.00 0.00 -0.12 0.00 0.00 29.99 27.78 2aff n HIS 84 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2aff n GLY 85 N 5.55 1.94 3.75 1.57 0.00 -0.53 -4.96 105.19 112.51 2aff n GLY 85 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.78 6.84 -0.12 1.61 1.01 0.11 -4.79 116.67 119.56 2aff s ASP 86 Ca 0.00 2.54 -0.01 0.00 0.71 0.00 0.00 52.55 55.79 2aff s ASP 86 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 2aff s ASP 86 CO 0.00 -0.52 -0.06 -0.69 0.21 0.00 0.00 175.17 174.11 2aff s VAL 87 N -0.52 3.75 -0.19 -1.27 1.01 -1.26 -1.75 120.40 120.17 2aff s VAL 87 Ca 0.53 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 2aff s VAL 87 Cb -0.38 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2aff s VAL 87 CO 0.45 0.54 0.06 -0.63 0.00 0.00 0.00 175.10 175.53 2aff s ILE 88 N -0.15 4.78 -0.12 2.22 1.01 -0.20 0.27 121.20 129.01 2aff s ILE 88 Ca 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.65 2aff s ILE 88 Cb -0.13 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 2aff s ILE 88 CO 0.03 0.45 -0.17 -0.89 0.00 0.00 0.00 174.94 174.36 2aff s THR 89 N 0.43 2.67 -0.11 2.92 2.01 0.60 -0.02 115.64 124.13 2aff s THR 89 Ca 0.03 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2aff s THR 89 Cb -0.12 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.29 2aff s THR 89 CO 0.00 0.53 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.61 2aff s ILE 90 N 0.41 2.12 -0.02 1.82 1.01 0.72 -1.66 121.20 125.60 2aff s ILE 90 Ca -0.13 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 2aff s ILE 90 Cb -0.17 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 2aff s ILE 90 CO 0.06 0.56 0.05 -0.38 0.00 0.00 0.00 174.94 175.23 2aff n ILE 91 N 3.65 0.00 0.00 2.92 5.41 -1.26 0.35 119.36 130.42 2aff n ILE 91 Ca -0.19 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2aff n ILE 91 Cb 0.53 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 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 0.17 0.00 -4.13 4.38 2.03 -1.26 -5.01 116.55 112.73 2aff n ASP 92 Ca 0.01 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.13 2aff n ASP 92 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 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 -0.40 0.89 0.06 -0.67 0.52 1.07 -4.29 118.95 116.13 2aff s ARG 93 Ca 0.00 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 2aff s ARG 93 Cb 0.00 -0.89 -0.03 0.00 0.52 0.00 0.00 34.95 34.55 2aff s ARG 93 CO 0.00 0.22 -0.05 -1.54 0.02 0.00 0.00 175.30 173.95 2aff s SER 94 N -1.14 0.69 -0.06 0.23 1.04 -1.26 0.26 113.70 113.47 2aff s SER 94 Ca 0.01 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.65 2aff s SER 94 Cb -0.08 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.18 2aff s SER 94 CO 0.01 -0.42 -0.08 -0.36 0.98 0.00 0.00 173.24 173.37 2aff s PHE 95 N -2.79 1.09 -0.10 5.02 0.40 0.97 -1.21 117.98 121.36 2aff s PHE 95 Ca -0.00 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.84 2aff s PHE 95 Cb -0.00 -0.87 -0.05 0.00 0.51 0.00 0.00 43.02 42.61 2aff s PHE 95 CO -0.04 -0.24 0.27 0.50 0.70 0.00 0.00 175.22 176.40 2aff s ARG 96 N 0.83 3.88 -0.17 0.44 3.52 -0.98 -1.03 118.95 125.44 2aff s ARG 96 Ca -0.12 0.10 -0.20 0.00 -0.13 0.00 0.00 55.73 55.37 2aff s ARG 96 Cb -0.15 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 2aff s ARG 96 CO 0.01 0.56 0.60 -0.47 -0.81 0.00 0.00 175.30 175.19 2aff s TYR 97 N -0.50 3.42 -0.09 5.12 5.04 -0.72 -2.57 117.35 127.05 2aff s TYR 97 Ca 0.18 0.94 0.02 0.00 -2.44 0.00 0.00 57.07 55.76 2aff s TYR 97 Cb -0.14 -2.74 0.01 0.00 0.35 0.00 0.00 41.96 39.45 2aff s TYR 97 CO 0.06 -0.07 -0.15 -1.21 -1.34 0.00 0.00 175.55 172.84 2aff s GLU 98 N 1.51 2.16 -0.39 4.97 2.02 -0.80 -1.46 118.70 126.72 2aff s GLU 98 Ca 0.29 -0.55 -0.13 0.00 0.02 0.00 0.00 54.97 54.59 2aff s GLU 98 Cb -0.16 -1.79 0.03 0.00 0.10 0.00 0.00 34.13 32.30 2aff s GLU 98 CO 0.11 -0.01 0.25 1.21 0.02 0.00 0.00 175.26 176.85 2aff s ASN 99 N 0.82 5.92 0.00 -0.19 3.84 -1.26 -1.66 114.94 122.40 2aff s ASN 99 Ca -0.10 -0.97 0.28 0.00 0.21 0.00 0.00 52.86 52.27 2aff s ASN 99 Cb -0.16 -2.09 1.65 0.00 -0.55 0.00 0.00 41.25 40.10 2aff s ASN 99 CO 0.01 -0.42 1.99 1.21 -2.79 0.00 0.00 177.10 177.10