#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 1.28 -3.33 3.45 1.35 -1.82 -3.43 112.91 110.40 2aff h THR 4 Ca 0.00 -1.58 -0.58 0.00 -0.55 0.00 0.00 66.41 63.71 2aff h THR 4 Cb 0.00 1.48 -0.08 0.00 -1.73 0.00 0.00 68.15 67.81 2aff h THR 4 CO 0.00 0.52 -0.16 -0.13 -0.25 0.00 0.00 175.52 175.50 2aff s ARG 5 N -4.33 4.32 0.01 4.72 0.52 -1.26 -1.40 118.95 121.53 2aff s ARG 5 Ca -0.11 0.39 0.02 0.00 -0.52 0.00 0.00 55.73 55.51 2aff s ARG 5 Cb 0.10 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 2aff s ARG 5 CO 0.87 0.16 -0.05 1.03 0.02 0.00 0.00 175.30 177.33 2aff s ARG 6 N 0.64 0.40 -0.00 3.54 0.52 -0.38 -1.63 118.95 122.04 2aff s ARG 6 Ca 0.24 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.24 2aff s ARG 6 Cb -0.15 -0.34 -0.03 0.00 0.52 0.00 0.00 34.95 34.96 2aff s ARG 6 CO 0.09 0.09 -0.19 -0.51 0.02 0.00 0.00 175.30 174.80 2aff s LEU 7 N -0.40 2.51 -0.13 2.53 1.43 -0.96 -1.56 118.68 122.10 2aff s LEU 7 Ca -0.01 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2aff s LEU 7 Cb -0.03 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 2aff s LEU 7 CO -0.00 0.30 -0.14 -0.69 0.23 0.00 0.00 176.35 176.05 2aff s VAL 8 N -0.78 2.94 -0.29 -1.59 1.01 -0.86 0.77 120.40 121.59 2aff s VAL 8 Ca 0.12 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 2aff s VAL 8 Cb -0.10 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2aff s VAL 8 CO 0.02 0.52 0.44 -0.89 0.00 0.00 0.00 175.10 175.19 2aff s THR 9 N 0.42 5.11 0.28 3.92 2.01 -0.95 -1.82 115.64 124.62 2aff s THR 9 Ca -0.11 0.55 -0.25 0.00 0.31 0.00 0.00 61.69 62.19 2aff s THR 9 Cb -0.16 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 2aff s THR 9 CO 0.05 0.04 0.89 -0.63 -0.69 0.00 0.00 174.62 174.28 2aff s ILE 10 N 2.19 4.27 0.49 1.82 1.01 -1.04 -2.20 121.20 127.75 2aff s ILE 10 Ca 0.17 1.74 -0.05 0.00 0.00 0.00 0.00 60.65 62.52 2aff s ILE 10 Cb -0.16 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 2aff s ILE 10 CO 0.11 0.22 0.79 -0.54 0.00 0.00 0.00 174.94 175.52 2aff s LYS 11 N -1.87 3.45 0.45 2.79 1.02 0.40 -4.65 119.74 121.32 2aff s LYS 11 Ca 0.47 0.14 0.15 0.00 0.02 0.00 0.00 55.97 56.75 2aff s LYS 11 Cb -0.19 -2.37 1.08 0.00 -0.52 0.00 0.00 37.83 35.82 2aff s LYS 11 CO 0.24 -0.26 1.98 0.00 -0.92 0.00 0.00 175.35 176.40 2aff h ARG 12 N 0.19 0.34 0.00 1.68 3.08 -1.89 0.25 114.38 118.03 2aff h ARG 12 Ca -0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.21 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2aff h ARG 12 CO 0.61 0.22 0.00 -1.13 -1.07 0.00 0.00 179.97 178.61 2aff n SER 13 N -4.46 0.00 -0.23 7.04 3.41 -1.26 -4.89 113.62 113.23 2aff n SER 13 Ca 0.10 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 2aff n SER 13 Cb 0.40 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 1.39 0.99 3.19 5.00 0.00 0.88 -5.09 105.19 111.54 2aff n GLY 14 Ca 0.10 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.46 1.73 -0.02 1.61 1.01 -1.24 -4.86 120.40 116.17 2aff s VAL 15 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 2aff s VAL 15 Cb 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 2aff s VAL 15 CO 0.00 0.49 1.51 -0.62 0.00 0.00 0.00 175.10 176.48 2aff s ASP 16 N 0.07 6.76 0.00 3.32 -1.08 -1.26 -0.45 116.67 124.03 2aff s ASP 16 Ca -0.07 2.18 0.00 0.00 -0.52 0.00 0.00 52.55 54.14 2aff s ASP 16 Cb -0.14 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2aff s ASP 16 CO 0.04 -0.81 0.00 0.61 0.52 0.00 0.00 175.17 175.53 2aff n GLY 17 N 3.85 1.59 3.79 2.66 0.00 -0.93 -4.94 105.19 111.21 2aff n GLY 17 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 3.53 3.74 0.10 1.61 0.04 -1.26 -4.79 135.00 137.97 2aff s PRO 18 Ca 0.00 1.39 0.04 0.00 0.04 0.00 0.00 61.00 62.47 2aff s PRO 18 Cb 0.00 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2aff s PRO 18 CO 0.00 -0.49 0.05 -3.38 0.04 0.00 0.00 177.00 173.22 2aff s HIS 19 N -1.96 3.08 -0.51 0.56 -3.43 -1.26 -2.24 115.29 109.53 2aff s HIS 19 Ca 0.68 0.01 0.03 0.00 -0.80 0.00 0.00 55.06 54.98 2aff s HIS 19 Cb -0.17 -1.56 0.13 0.00 -1.43 0.00 0.00 32.58 29.55 2aff s HIS 19 CO 0.21 0.50 0.26 0.12 -2.00 0.00 0.00 174.74 173.83 2aff s PHE 20 N -1.42 3.26 0.18 0.38 5.36 0.23 -4.96 117.98 121.01 2aff s PHE 20 Ca 0.28 -3.12 -0.31 0.00 -0.96 0.00 0.00 56.93 52.82 2aff s PHE 20 Cb -0.12 -2.87 -0.10 0.00 -0.34 0.00 0.00 43.02 39.59 2aff s PHE 20 CO 0.20 -0.77 1.57 -2.14 -1.46 0.00 0.00 175.22 172.62 2aff s PRO 21 N -0.16 4.21 -0.24 10.12 0.02 -1.26 -2.26 135.00 145.42 2aff s PRO 21 Ca 0.16 2.38 -0.14 0.00 0.02 0.00 0.00 61.00 63.42 2aff s PRO 21 Cb -0.25 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 2aff s PRO 21 CO -0.01 -0.60 0.34 -0.51 -0.33 0.00 0.00 177.00 175.89 2aff s LEU 22 N 0.90 4.08 0.00 -5.54 1.43 -0.64 -4.87 118.68 114.04 2aff s LEU 22 Ca 0.69 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 2aff s LEU 22 Cb -0.44 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.38 2aff s LEU 22 CO 0.33 -0.11 0.00 -1.54 0.23 0.00 0.00 176.35 175.26 2aff n SER 23 N 4.90 4.53 -4.77 2.29 3.41 -1.26 -4.41 113.62 118.31 2aff n SER 23 Ca -0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.14 2aff n SER 23 Cb 0.51 0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 65.02 2aff n SER 23 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2aff s LEU 24 N -3.36 4.36 0.21 1.04 1.43 -1.26 -4.93 118.68 116.17 2aff s LEU 24 Ca 0.00 1.94 0.22 0.00 -1.03 0.00 0.00 54.13 55.26 2aff s LEU 24 Cb 0.00 -3.96 0.92 0.00 0.03 0.00 0.00 46.19 43.17 2aff s LEU 24 CO 0.00 -0.14 1.67 -1.54 0.23 0.00 0.00 176.35 176.56 2aff n SER 25 N 0.60 0.55 -4.05 2.29 3.41 -1.26 -4.61 113.62 110.55 2aff n SER 25 Ca 0.02 0.64 -0.25 0.00 -0.26 0.00 0.00 58.87 59.01 2aff n SER 25 Cb 0.49 -0.75 -0.17 0.00 -0.26 0.00 0.00 64.21 63.52 2aff n SER 25 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2aff s THR 26 N -3.26 1.24 -0.14 6.66 2.01 -1.26 -0.74 115.64 120.14 2aff s THR 26 Ca 0.05 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2aff s THR 26 Cb 0.09 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.51 2aff s THR 26 CO 0.37 0.38 -0.11 0.00 -0.69 0.00 0.00 174.62 174.57 2aff s LEU 28 N 1.57 2.35 -0.07 0.00 2.96 -1.26 -0.42 118.68 123.81 2aff s LEU 28 Ca 0.04 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 2aff s LEU 28 Cb -0.13 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2aff s LEU 28 CO -0.09 0.07 0.15 -0.36 -1.32 0.00 0.00 176.35 174.79 2aff s PHE 29 N 0.91 3.56 -5.00 5.38 0.40 0.21 0.18 117.98 123.62 2aff s PHE 29 Ca -0.04 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.73 2aff s PHE 29 Cb -0.15 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.49 2aff s PHE 29 CO -0.02 0.69 0.00 0.41 0.70 0.00 0.00 175.22 177.00 2aff n GLY 30 N 1.56 -1.72 0.13 4.36 0.00 -0.85 -2.35 105.19 106.31 2aff n GLY 30 Ca -0.16 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 2aff n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aff h ARG 31 N 1.46 0.16 -6.68 1.61 3.08 -1.09 -2.96 114.38 109.96 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 0.04 0.15 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 0.00 179.97 180.27 2aff n GLY 32 N 0.75 -0.42 0.26 0.04 0.00 -1.01 -4.81 105.19 99.99 2aff n GLY 32 Ca -0.03 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 1.02 1.27 0.00 -0.61 6.09 -1.91 -1.95 117.51 121.42 2aff h ILE 33 Ca -0.46 -1.17 0.00 0.00 -1.37 0.00 0.00 64.86 61.86 2aff h ILE 33 Cb 1.35 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.69 2aff h ILE 33 CO 0.53 0.41 0.29 -0.33 -3.07 0.00 0.00 178.15 175.98 2aff h GLU 34 N 0.75 0.00 -6.49 2.19 4.39 -1.96 -3.41 114.58 110.05 2aff h GLU 34 Ca 0.13 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.30 2aff h GLU 34 Cb 0.60 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.28 2aff h GLU 34 CO 0.04 0.00 1.12 0.00 -1.16 0.00 0.00 179.01 179.01 2aff h ASP 36 N 8.81 0.27 -3.13 0.00 3.32 0.17 -3.36 116.42 122.50 2aff h ASP 36 Ca -0.46 -0.00 -0.61 0.00 0.02 0.00 0.00 57.03 55.98 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 0.19 -0.84 -0.63 -1.72 0.00 0.00 179.24 177.19 2aff s ILE 37 N -5.31 1.62 -0.11 0.35 1.01 -0.50 -4.94 121.20 113.32 2aff s ILE 37 Ca -0.07 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 2aff s ILE 37 Cb 0.18 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2aff s ILE 37 CO 0.71 0.47 -0.03 -0.60 0.00 0.00 0.00 174.94 175.49 2aff s ARG 38 N 1.39 3.21 -0.11 2.79 3.52 -1.26 -2.02 118.95 126.48 2aff s ARG 38 Ca 0.03 -0.48 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 2aff s ARG 38 Cb -0.13 -2.80 -0.01 0.00 -1.56 0.00 0.00 34.95 30.44 2aff s ARG 38 CO -0.10 0.51 -0.16 0.42 -0.81 0.00 0.00 175.30 175.16 2aff s ILE 39 N -0.37 2.79 -0.44 4.11 1.01 -1.12 -4.97 121.20 122.21 2aff s ILE 39 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2aff s ILE 39 Cb -0.12 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.23 2aff s ILE 39 CO 0.02 0.54 0.80 0.00 0.00 0.00 0.00 174.94 176.30 2aff n GLN 40 N 3.28 1.04 -3.67 2.79 6.02 -1.26 -4.54 117.38 121.04 2aff n GLN 40 Ca -0.18 -0.05 -0.36 0.00 -0.01 0.00 0.00 57.00 56.41 2aff n GLN 40 Cb 0.53 -1.23 -0.08 0.00 1.02 0.00 0.00 30.24 30.47 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 -0.05 4.20 0.19 1.08 1.43 -1.26 -4.97 118.68 119.30 2aff s LEU 41 Ca 0.01 0.28 0.22 0.00 -1.03 0.00 0.00 54.13 53.60 2aff s LEU 41 Cb 0.01 -2.16 0.89 0.00 0.03 0.00 0.00 46.19 44.96 2aff s LEU 41 CO 0.00 0.14 1.66 -0.81 0.23 0.00 0.00 176.35 177.57 2aff n PRO 42 N 3.67 0.15 -0.03 1.29 -0.04 -1.26 -2.40 135.00 136.39 2aff n PRO 42 Ca -0.15 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 2aff n PRO 42 Cb 0.52 -1.78 0.42 0.00 -0.04 0.00 0.00 33.50 32.62 2aff n PRO 42 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2aff n VAL 43 N -2.06 0.07 -3.41 0.52 0.24 -1.26 -4.84 118.33 107.59 2aff n VAL 43 Ca 0.03 -0.33 -0.38 0.00 -2.04 0.00 0.00 64.34 61.63 2aff n VAL 43 Cb 0.22 0.61 -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 -1.93 5.18 1.03 3.34 1.01 -1.01 -4.88 120.40 123.14 2aff s VAL 44 Ca 0.35 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 63.05 2aff s VAL 44 Cb 0.20 -3.75 0.21 0.00 0.00 0.00 0.00 36.38 33.04 2aff s VAL 44 CO 0.31 0.40 1.09 -0.55 0.00 0.00 0.00 175.10 176.35 2aff s SER 45 N 0.20 2.08 0.15 3.32 0.15 -1.26 -4.49 113.70 113.83 2aff s SER 45 Ca 0.23 1.82 -0.15 0.00 0.70 0.00 0.00 55.95 58.54 2aff s SER 45 Cb -0.15 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2aff s SER 45 CO 0.09 -3.57 1.74 0.11 1.20 0.00 0.00 173.24 172.82 2aff h LYS 46 N -2.19 0.62 0.00 5.44 1.57 -1.93 -2.34 116.57 117.74 2aff h LYS 46 Ca -0.52 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2aff h LYS 46 Cb 1.30 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2aff h LYS 46 CO 0.47 0.51 -0.71 1.04 -0.57 0.00 0.00 179.45 180.19 2aff n GLN 47 N -4.68 2.90 0.00 3.15 6.02 -1.26 -2.42 117.38 121.09 2aff n GLN 47 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2aff n GLN 47 Cb 0.10 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.38 0.00 -4.38 1.08 -0.00 -1.16 -4.11 115.22 105.27 2aff n HIS 48 Ca 0.01 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.99 2aff n HIS 48 Cb 0.18 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.90 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 0.19 1.97 -0.10 0.00 2.20 -0.67 0.65 119.74 123.99 2aff s LYS 50 Ca -0.03 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 2aff s LYS 50 Cb -0.08 -1.59 -0.02 0.00 -1.51 0.00 0.00 37.83 34.63 2aff s LYS 50 CO 0.00 0.08 -0.16 0.42 -0.36 0.00 0.00 175.35 175.33 2aff s ILE 51 N 0.54 2.87 -0.20 5.43 1.01 0.44 0.95 121.20 132.24 2aff s ILE 51 Ca -0.15 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 2aff s ILE 51 Cb -0.16 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 2aff s ILE 51 CO 0.05 0.55 -0.07 -1.61 0.00 0.00 0.00 174.94 173.86 2aff s GLU 52 N -0.00 3.38 -0.34 2.79 2.02 0.31 -1.90 118.70 124.97 2aff s GLU 52 Ca -0.05 -0.64 -0.10 0.00 0.02 0.00 0.00 54.97 54.20 2aff s GLU 52 Cb -0.14 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.18 2aff s GLU 52 CO 0.04 -0.09 0.18 0.42 0.02 0.00 0.00 175.26 175.83 2aff s ILE 53 N 1.19 4.63 -0.03 -1.63 1.01 0.08 -0.74 121.20 125.70 2aff s ILE 53 Ca 0.02 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2aff s ILE 53 Cb -0.14 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 2aff s ILE 53 CO -0.02 -0.05 -0.13 -1.00 0.00 0.00 0.00 174.94 173.74 2aff s HIS 54 N 1.60 2.74 0.52 3.97 3.76 0.12 -4.82 115.29 123.18 2aff s HIS 54 Ca 0.04 -0.13 0.44 0.00 -0.15 0.00 0.00 55.06 55.26 2aff s HIS 54 Cb -0.18 -1.62 1.66 0.00 1.11 0.00 0.00 32.58 33.55 2aff s HIS 54 CO 0.07 0.24 1.59 0.93 -0.85 0.00 0.00 174.74 176.71 2aff h GLU 55 N 5.12 0.01 0.19 1.40 5.08 -2.01 0.56 114.58 124.93 2aff h GLU 55 Ca -0.47 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2aff h GLU 55 Cb 1.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2aff h GLU 55 CO 0.51 0.01 -0.09 1.96 -1.00 0.00 0.00 179.01 180.39 2aff h GLN 56 N 0.01 -0.25 0.00 2.33 4.20 -2.01 -3.48 115.11 115.91 2aff h GLN 56 Ca 0.90 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 59.56 2aff h GLN 56 Cb 3.41 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 31.23 2aff h GLN 56 CO -0.15 -0.16 0.04 0.39 -0.67 0.00 0.00 178.83 178.28 2aff n GLU 57 N -2.80 0.46 -3.84 1.46 -0.58 0.20 -5.14 120.64 110.40 2aff n GLU 57 Ca -0.03 -1.21 -0.36 0.00 -0.42 0.00 0.00 57.16 55.14 2aff n GLU 57 Cb 0.10 1.34 -0.13 0.00 -0.57 0.00 0.00 31.44 32.18 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aff s ALA 58 N -1.81 2.96 -0.15 0.62 0.00 -1.26 0.16 121.76 122.28 2aff s ALA 58 Ca 0.11 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 2aff s ALA 58 Cb -0.02 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2aff s ALA 58 CO 0.08 -0.49 -0.06 0.42 0.00 0.00 0.00 175.76 175.70 2aff s ILE 59 N 1.53 3.66 -0.19 0.00 1.01 0.08 0.18 121.20 127.47 2aff s ILE 59 Ca 0.06 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 2aff s ILE 59 Cb -0.15 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 2aff s ILE 59 CO -0.00 0.50 0.27 -0.22 0.00 0.00 0.00 174.94 175.49 2aff s LEU 60 N 0.34 4.20 -0.06 2.97 2.96 0.37 -0.53 118.68 128.92 2aff s LEU 60 Ca -0.06 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 2aff s LEU 60 Cb -0.15 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 2aff s LEU 60 CO 0.04 0.07 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.01 2aff s HIS 61 N 0.72 2.76 -0.41 5.38 3.76 0.27 -1.64 115.29 126.13 2aff s HIS 61 Ca 0.14 -0.18 -0.17 0.00 -0.15 0.00 0.00 55.06 54.70 2aff s HIS 61 Cb -0.13 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.90 2aff s HIS 61 CO 0.04 0.17 0.44 1.21 -0.85 0.00 0.00 174.74 175.74 2aff s ASN 62 N -0.61 6.20 0.00 1.40 2.47 -1.26 -1.67 114.94 121.47 2aff s ASN 62 Ca 0.09 -0.56 0.17 0.00 0.42 0.00 0.00 52.86 52.98 2aff s ASN 62 Cb -0.11 -2.23 -0.13 0.00 -1.45 0.00 0.00 41.25 37.33 2aff s ASN 62 CO 0.01 -0.55 0.76 0.49 -3.72 0.00 0.00 177.10 174.09 2aff n PHE 63 N 5.60 0.00 -2.33 0.43 3.01 -0.22 -4.89 117.46 119.05 2aff n PHE 63 Ca -0.07 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.98 2aff n PHE 63 Cb 0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 2aff n PHE 63 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -2.40 6.02 0.00 4.37 0.15 -0.33 -4.56 113.70 116.94 2aff s SER 64 Ca 0.09 0.32 0.26 0.00 0.70 0.00 0.00 55.95 57.33 2aff s SER 64 Cb 0.13 -2.54 0.78 0.00 -1.71 0.00 0.00 66.02 62.67 2aff s SER 64 CO 0.61 -1.79 1.59 -1.54 1.20 0.00 0.00 173.24 173.31 2aff n SER 65 N 9.96 0.51 -0.11 5.45 3.41 -1.26 -3.71 113.62 127.87 2aff n SER 65 Ca 0.14 -0.29 -0.14 0.00 -0.26 0.00 0.00 58.87 58.31 2aff n SER 65 Cb 0.49 0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.27 1.32 -3.44 6.66 -1.04 -1.26 -4.89 114.28 110.36 2aff n THR 66 Ca 0.08 -0.59 -0.21 0.00 -2.04 0.00 0.00 64.05 61.30 2aff n THR 66 Cb 0.33 -1.11 -0.11 0.00 -1.82 0.00 0.00 70.33 67.62 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 -5.99 2.18 0.52 8.00 0.01 -1.26 -5.14 114.94 113.25 2aff s ASN 67 Ca -0.25 -1.02 -0.22 0.00 -0.71 0.00 0.00 52.86 50.66 2aff s ASN 67 Cb 0.07 0.25 -0.07 0.00 0.41 0.00 0.00 41.25 41.92 2aff s ASN 67 CO 0.60 -0.39 1.22 -2.65 -1.51 0.00 0.00 177.10 174.36 2aff n PRO 68 N 5.16 1.54 -2.14 -0.60 -0.02 -1.24 -4.67 135.00 133.03 2aff n PRO 68 Ca -0.02 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 2aff n PRO 68 Cb 0.45 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 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 2.88 -0.09 3.45 2.01 -1.26 -4.77 115.64 116.53 2aff s THR 69 Ca 0.69 0.80 -0.05 0.00 0.31 0.00 0.00 61.69 63.45 2aff s THR 69 Cb -0.45 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2aff s THR 69 CO 0.52 0.16 0.10 -1.10 -0.69 0.00 0.00 174.62 173.60 2aff s GLN 70 N -0.99 3.27 -0.04 4.92 -0.21 -0.46 -1.08 119.66 125.07 2aff s GLN 70 Ca 0.53 -0.25 0.02 0.00 0.02 0.00 0.00 55.36 55.68 2aff s GLN 70 Cb -0.39 -3.04 0.01 0.00 1.00 0.00 0.00 33.01 30.59 2aff s GLN 70 CO 0.46 0.74 -0.10 0.08 -2.12 0.00 0.00 175.29 174.35 2aff s VAL 71 N -1.02 0.91 -1.32 1.09 1.01 0.35 0.14 120.40 121.56 2aff s VAL 71 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2aff s VAL 71 Cb -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2aff s VAL 71 CO 0.05 0.29 0.05 0.59 0.00 0.00 0.00 175.10 176.08 2aff n ASN 72 N 3.53 -4.65 -0.48 3.32 3.02 -0.73 -0.29 115.26 118.98 2aff n ASN 72 Ca -0.21 0.08 -0.05 0.00 -0.03 0.00 0.00 54.58 54.37 2aff n ASN 72 Cb 0.53 -3.90 -0.01 0.00 -0.61 0.00 0.00 39.78 35.78 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 -0.92 0.53 2.95 7.41 0.00 -1.26 -5.04 105.19 108.86 2aff n GLY 73 Ca -0.17 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 2aff n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aff s SER 74 N -2.87 0.28 0.36 1.61 0.01 0.60 -5.09 113.70 108.60 2aff s SER 74 Ca 0.00 -0.30 -0.27 0.00 1.31 0.00 0.00 55.95 56.70 2aff s SER 74 Cb 0.00 0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.18 2aff s SER 74 CO 0.00 -0.15 1.17 0.68 0.41 0.00 0.00 173.24 175.35 2aff s VAL 75 N -0.83 3.19 -0.63 3.43 -7.23 -1.26 0.13 120.40 117.21 2aff s VAL 75 Ca -0.08 1.06 -0.06 0.00 -1.81 0.00 0.00 61.98 61.09 2aff s VAL 75 Cb -0.06 -3.62 0.16 0.00 0.56 0.00 0.00 36.38 33.42 2aff s VAL 75 CO -0.00 0.15 0.47 -0.51 -0.31 0.00 0.00 175.10 174.90 2aff s ILE 76 N -1.34 4.09 0.29 -0.62 2.07 -0.24 -4.86 121.20 120.60 2aff s ILE 76 Ca 0.53 -2.65 0.02 0.00 -1.41 0.00 0.00 60.65 57.14 2aff s ILE 76 Cb -0.32 -3.65 0.10 0.00 0.13 0.00 0.00 42.46 38.73 2aff s ILE 76 CO 0.41 -0.88 1.78 -0.78 -1.91 0.00 0.00 174.94 173.55 2aff h ASP 77 N 7.42 0.53 -2.35 4.50 3.58 -1.95 -3.43 116.42 124.73 2aff h ASP 77 Ca -0.03 -0.15 -0.57 0.00 0.42 0.00 0.00 57.03 56.71 2aff h ASP 77 Cb 0.99 -0.14 -0.13 0.00 1.72 0.00 0.00 39.33 41.76 2aff h ASP 77 CO 0.74 0.70 -0.55 -1.61 -2.88 0.00 0.00 179.24 175.63 2aff s GLU 78 N -4.73 1.92 0.39 0.28 2.02 -1.26 -4.85 118.70 112.47 2aff s GLU 78 Ca -0.08 -2.15 -0.27 0.00 0.02 0.00 0.00 54.97 52.49 2aff s GLU 78 Cb 0.14 -1.01 -0.11 0.00 0.10 0.00 0.00 34.13 33.26 2aff s GLU 78 CO 0.79 -0.33 1.36 -2.30 0.02 0.00 0.00 175.26 174.80 2aff n PRO 79 N -0.94 2.26 -4.03 0.39 -0.02 -1.26 -4.73 135.00 126.66 2aff n PRO 79 Ca -0.08 0.80 -0.15 0.00 -2.02 0.00 0.00 63.50 62.05 2aff n PRO 79 Cb 0.66 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.51 2aff n PRO 79 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aff s VAL 80 N -1.14 0.25 0.10 -1.45 1.01 -0.65 -4.97 120.40 113.55 2aff s VAL 80 Ca 0.57 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2aff s VAL 80 Cb -0.51 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.56 2aff s VAL 80 CO 0.61 0.09 1.17 -0.13 0.00 0.00 0.00 175.10 176.85 2aff s ARG 81 N 0.15 4.48 0.08 2.72 0.52 -1.26 -0.48 118.95 125.16 2aff s ARG 81 Ca -0.01 1.77 -0.21 0.00 -0.52 0.00 0.00 55.73 56.76 2aff s ARG 81 Cb -0.04 -3.32 -0.07 0.00 0.52 0.00 0.00 34.95 32.05 2aff s ARG 81 CO -0.00 -0.16 0.62 -0.51 0.02 0.00 0.00 175.30 175.27 2aff s LEU 82 N 0.55 4.53 0.12 2.53 1.43 0.48 -4.91 118.68 123.41 2aff s LEU 82 Ca 0.56 1.34 0.06 0.00 -1.03 0.00 0.00 54.13 55.06 2aff s LEU 82 Cb -0.30 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2aff s LEU 82 CO 0.32 0.23 -0.14 -0.54 0.23 0.00 0.00 176.35 176.45 2aff s LYS 83 N -0.98 1.00 -0.03 1.70 1.02 -1.26 -4.38 119.74 116.80 2aff s LYS 83 Ca 0.31 -1.21 -0.33 0.00 0.02 0.00 0.00 55.97 54.77 2aff s LYS 83 Cb -0.20 -0.88 -0.11 0.00 -0.52 0.00 0.00 37.83 36.12 2aff s LYS 83 CO 0.21 0.17 1.90 1.58 -0.92 0.00 0.00 175.35 178.29 2aff n HIS 84 N 0.61 2.41 0.00 3.18 -0.00 -1.26 -1.49 115.22 118.67 2aff n HIS 84 Ca -0.16 -0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.42 2aff n HIS 84 Cb 0.57 -2.71 0.00 0.00 -0.00 0.00 0.00 29.99 27.84 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 4.42 2.10 3.75 1.57 0.00 -0.96 -4.97 105.19 111.09 2aff n GLY 85 Ca 0.21 0.00 -0.41 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 -1.71 6.94 -0.12 1.61 1.01 -0.55 -4.83 116.67 119.02 2aff s ASP 86 Ca 0.00 2.44 -0.01 0.00 0.71 0.00 0.00 52.55 55.70 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2aff s ASP 86 CO 0.00 -0.45 -0.09 -0.69 0.21 0.00 0.00 175.17 174.15 2aff s VAL 87 N -0.47 3.43 -0.18 -1.27 1.01 -1.26 -2.20 120.40 119.45 2aff s VAL 87 Ca 0.52 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 2aff s VAL 87 Cb -0.36 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2aff s VAL 87 CO 0.43 0.53 0.17 -0.63 0.00 0.00 0.00 175.10 175.59 2aff s ILE 88 N 0.11 5.39 -0.11 2.22 1.01 -0.87 -1.78 121.20 127.17 2aff s ILE 88 Ca -0.04 0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.91 2aff s ILE 88 Cb -0.14 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.84 2aff s ILE 88 CO 0.04 0.44 -0.19 -0.89 0.00 0.00 0.00 174.94 174.34 2aff s THR 89 N 0.26 1.76 -0.18 2.92 2.01 0.37 -0.32 115.64 122.45 2aff s THR 89 Ca 0.11 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 2aff s THR 89 Cb -0.12 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 2aff s THR 89 CO -0.00 0.49 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.70 2aff s ILE 90 N 0.79 3.16 0.00 1.82 1.01 0.86 -1.35 121.20 127.49 2aff s ILE 90 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2aff s ILE 90 Cb -0.16 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.93 2aff s ILE 90 CO 0.01 0.48 0.00 -0.38 0.00 0.00 0.00 174.94 175.04 2aff n ILE 91 N 4.25 0.00 0.14 2.92 2.08 -1.26 0.31 119.36 127.80 2aff n ILE 91 Ca -0.18 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.18 2aff n ILE 91 Cb 0.52 0.00 0.10 0.00 -0.75 0.00 0.00 39.64 39.51 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2aff n ASP 92 N 2.02 2.47 -4.35 4.38 8.00 -1.26 -4.99 116.55 122.82 2aff n ASP 92 Ca 0.00 -1.75 -0.30 0.00 0.71 0.00 0.00 54.79 53.46 2aff n ASP 92 Cb 0.00 -0.12 -0.14 0.00 -0.02 0.00 0.00 41.12 40.83 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 -0.98 1.69 0.03 -1.24 0.52 0.93 -4.87 118.95 115.04 2aff s ARG 93 Ca 0.19 -1.14 -0.01 0.00 -0.52 0.00 0.00 55.73 54.24 2aff s ARG 93 Cb 0.11 -1.92 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 2aff s ARG 93 CO 0.15 0.49 -0.01 -1.54 0.02 0.00 0.00 175.30 174.41 2aff s SER 94 N -1.39 0.28 -0.13 0.23 1.04 -1.26 0.30 113.70 112.76 2aff s SER 94 Ca 0.12 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.95 2aff s SER 94 Cb -0.10 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.18 2aff s SER 94 CO 0.03 -0.40 -0.16 -0.36 0.98 0.00 0.00 173.24 173.33 2aff s PHE 95 N -2.16 2.18 -0.02 5.02 0.40 0.56 -2.49 117.98 121.47 2aff s PHE 95 Ca -0.09 -1.13 -0.29 0.00 -0.60 0.00 0.00 56.93 54.82 2aff s PHE 95 Cb -0.05 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 2aff s PHE 95 CO -0.03 -0.58 0.96 1.03 0.70 0.00 0.00 175.22 177.29 2aff s ARG 96 N 1.15 4.52 -0.21 0.44 0.52 -0.75 -2.06 118.95 122.56 2aff s ARG 96 Ca -0.02 1.37 -0.14 0.00 -0.52 0.00 0.00 55.73 56.41 2aff s ARG 96 Cb -0.14 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 2aff s ARG 96 CO -0.05 -0.09 0.32 -0.47 0.02 0.00 0.00 175.30 175.03 2aff s TYR 97 N 1.17 3.36 -0.09 -0.53 5.04 -0.93 -2.03 117.35 123.33 2aff s TYR 97 Ca 0.50 0.50 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 2aff s TYR 97 Cb -0.20 -2.44 0.02 0.00 0.35 0.00 0.00 41.96 39.69 2aff s TYR 97 CO 0.25 0.03 -0.07 -1.21 -1.34 0.00 0.00 175.55 173.21 2aff s GLU 98 N 1.19 1.34 -0.30 4.97 2.02 -0.60 -2.28 118.70 125.04 2aff s GLU 98 Ca 0.15 -0.21 -0.05 0.00 0.02 0.00 0.00 54.97 54.89 2aff s GLU 98 Cb -0.14 -1.37 0.03 0.00 0.10 0.00 0.00 34.13 32.75 2aff s GLU 98 CO 0.07 -0.19 0.04 1.21 0.02 0.00 0.00 175.26 176.40 2aff s ASN 99 N 1.44 4.94 0.00 -0.19 3.84 -1.26 -1.25 114.94 122.47 2aff s ASN 99 Ca -0.01 -0.97 0.00 0.00 0.21 0.00 0.00 52.86 52.09 2aff s ASN 99 Cb -0.13 -1.79 0.00 0.00 -0.55 0.00 0.00 41.25 38.77 2aff s ASN 99 CO -0.04 -0.23 0.46 1.21 -2.79 0.00 0.00 177.10 175.71