#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 1.29 -3.30 0.52 1.35 -1.95 -3.44 112.91 107.38 2aff h THR 4 Ca 0.00 -1.88 -0.58 0.00 -0.55 0.00 0.00 66.41 63.40 2aff h THR 4 Cb 0.00 1.94 -0.07 0.00 -1.73 0.00 0.00 68.15 68.29 2aff h THR 4 CO 0.00 0.60 -0.13 -0.13 -0.25 0.00 0.00 175.52 175.60 2aff s ARG 5 N -3.82 4.31 0.02 4.72 0.52 -1.26 -0.35 118.95 123.08 2aff s ARG 5 Ca -0.11 0.47 0.02 0.00 -0.52 0.00 0.00 55.73 55.60 2aff s ARG 5 Cb 0.08 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 2aff s ARG 5 CO 0.89 0.22 -0.07 -0.98 0.02 0.00 0.00 175.30 175.37 2aff s ARG 6 N 0.42 0.53 0.08 3.54 1.70 -0.74 -2.16 118.95 122.32 2aff s ARG 6 Ca 0.26 -0.48 0.10 0.00 -0.47 0.00 0.00 55.73 55.14 2aff s ARG 6 Cb -0.15 -0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 33.76 2aff s ARG 6 CO 0.11 0.10 -0.26 -0.51 -1.08 0.00 0.00 175.30 173.67 2aff s LEU 7 N -0.82 2.26 -0.11 -1.89 1.43 -0.80 -1.88 118.68 116.87 2aff s LEU 7 Ca -0.03 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 2aff s LEU 7 Cb -0.06 -1.29 -0.00 0.00 0.03 0.00 0.00 46.19 44.87 2aff s LEU 7 CO 0.00 0.23 -0.20 -0.69 0.23 0.00 0.00 176.35 175.92 2aff s VAL 8 N -0.91 2.42 -0.36 -1.59 1.01 -0.94 0.47 120.40 120.50 2aff s VAL 8 Ca 0.13 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 2aff s VAL 8 Cb -0.10 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2aff s VAL 8 CO 0.04 0.55 0.62 -0.89 0.00 0.00 0.00 175.10 175.41 2aff s THR 9 N 0.36 4.91 0.31 3.92 2.01 -0.91 -2.09 115.64 124.15 2aff s THR 9 Ca -0.16 0.52 -0.25 0.00 0.31 0.00 0.00 61.69 62.12 2aff s THR 9 Cb -0.17 -4.06 -0.10 0.00 0.01 0.00 0.00 72.50 68.18 2aff s THR 9 CO 0.07 -0.31 0.90 -0.63 -0.69 0.00 0.00 174.62 173.96 2aff s ILE 10 N 2.66 4.29 0.36 1.82 1.01 -0.88 -2.36 121.20 128.10 2aff s ILE 10 Ca 0.23 1.71 -0.15 0.00 0.00 0.00 0.00 60.65 62.44 2aff s ILE 10 Cb -0.15 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 2aff s ILE 10 CO 0.15 0.13 0.78 -0.54 0.00 0.00 0.00 174.94 175.46 2aff s LYS 11 N -2.09 4.00 0.60 2.79 -0.14 0.12 -4.46 119.74 120.56 2aff s LYS 11 Ca 0.49 0.72 0.30 0.00 -1.36 0.00 0.00 55.97 56.12 2aff s LYS 11 Cb -0.18 -2.38 1.78 0.00 -1.68 0.00 0.00 37.83 35.37 2aff s LYS 11 CO 0.23 0.09 2.18 0.00 -0.76 0.00 0.00 175.35 177.09 2aff h ARG 12 N 2.03 0.00 0.00 1.68 3.08 -1.88 0.93 114.38 120.22 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 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2aff h ARG 12 CO 0.64 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.99 2aff n SER 13 N -3.76 0.49 -0.11 7.04 2.88 -1.26 -4.89 113.62 114.02 2aff n SER 13 Ca -0.01 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 2aff n SER 13 Cb 0.20 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aff n GLY 14 N 0.93 1.15 3.24 0.46 0.00 0.32 -5.09 105.19 106.20 2aff n GLY 14 Ca 0.05 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.21 1.91 -0.15 1.61 1.01 -1.22 -4.85 120.40 116.50 2aff s VAL 15 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 2aff s VAL 15 Cb 0.00 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2aff s VAL 15 CO 0.00 0.53 1.47 -0.62 0.00 0.00 0.00 175.10 176.49 2aff s ASP 16 N -0.15 6.72 0.00 3.32 -1.08 -1.26 0.11 116.67 124.34 2aff s ASP 16 Ca -0.03 1.84 0.00 0.00 -0.52 0.00 0.00 52.55 53.84 2aff s ASP 16 Cb -0.13 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 2aff s ASP 16 CO 0.03 -0.94 0.00 0.61 0.52 0.00 0.00 175.17 175.39 2aff n GLY 17 N 4.05 1.32 3.79 2.66 0.00 -0.99 -4.95 105.19 111.06 2aff n GLY 17 Ca 0.16 0.00 -0.35 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 3.64 3.81 0.16 1.61 0.04 -1.26 -4.79 135.00 138.21 2aff s PRO 18 Ca 0.00 1.48 0.05 0.00 0.04 0.00 0.00 61.00 62.57 2aff s PRO 18 Cb 0.00 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2aff s PRO 18 CO 0.00 -0.44 0.13 -3.38 0.04 0.00 0.00 177.00 173.35 2aff s HIS 19 N -1.82 3.15 -0.46 0.56 -3.43 -1.26 -2.14 115.29 109.88 2aff s HIS 19 Ca 0.66 -0.01 0.03 0.00 -0.80 0.00 0.00 55.06 54.94 2aff s HIS 19 Cb -0.20 -1.52 0.12 0.00 -1.43 0.00 0.00 32.58 29.56 2aff s HIS 19 CO 0.24 0.52 0.21 0.12 -2.00 0.00 0.00 174.74 173.83 2aff s PHE 20 N -1.72 2.99 0.28 0.38 5.36 0.18 -4.93 117.98 120.51 2aff s PHE 20 Ca 0.31 -2.93 -0.29 0.00 -0.96 0.00 0.00 56.93 53.05 2aff s PHE 20 Cb -0.10 -2.61 -0.10 0.00 -0.34 0.00 0.00 43.02 39.87 2aff s PHE 20 CO 0.23 -0.79 1.10 -1.25 -1.46 0.00 0.00 175.22 173.05 2aff s PRO 21 N 0.15 4.63 -0.23 10.12 0.04 -1.26 -1.91 135.00 146.54 2aff s PRO 21 Ca 0.16 1.81 -0.09 0.00 0.04 0.00 0.00 61.00 62.92 2aff s PRO 21 Cb -0.24 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2aff s PRO 21 CO -0.03 0.20 0.11 -0.51 0.04 0.00 0.00 177.00 176.81 2aff s LEU 22 N -1.43 3.87 0.00 -3.56 1.43 -0.92 -4.90 118.68 113.16 2aff s LEU 22 Ca 0.45 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 2aff s LEU 22 Cb -0.32 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 43.88 2aff s LEU 22 CO 0.41 0.07 0.33 -1.54 0.23 0.00 0.00 176.35 175.86 2aff n SER 23 N 4.22 0.67 -4.78 2.29 3.41 -1.26 -4.44 113.62 113.72 2aff n SER 23 Ca -0.16 -0.85 -0.32 0.00 -0.26 0.00 0.00 58.87 57.28 2aff n SER 23 Cb 0.52 0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.50 3.86 0.41 1.04 1.43 -1.26 -5.00 118.68 118.65 2aff s LEU 24 Ca 0.00 0.09 0.29 0.00 -1.03 0.00 0.00 54.13 53.48 2aff s LEU 24 Cb 0.00 -2.36 1.25 0.00 0.03 0.00 0.00 46.19 45.12 2aff s LEU 24 CO 0.00 0.23 1.86 0.77 0.23 0.00 0.00 176.35 179.45 2aff h SER 25 N 3.79 0.00 -3.56 2.29 4.64 -1.96 -3.43 113.55 115.33 2aff h SER 25 Ca -0.48 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.32 2aff h SER 25 Cb 1.17 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.94 2aff h SER 25 CO 0.64 0.00 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.89 2aff s THR 26 N -3.53 1.16 -0.11 2.95 2.01 -1.26 -0.97 115.64 115.88 2aff s THR 26 Ca 0.02 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2aff s THR 26 Cb 0.09 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.58 2aff s THR 26 CO 0.44 0.35 -0.09 0.00 -0.69 0.00 0.00 174.62 174.63 2aff s LEU 28 N 1.50 2.05 -0.01 0.00 2.96 -1.26 -0.14 118.68 123.78 2aff s LEU 28 Ca 0.02 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2aff s LEU 28 Cb -0.13 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 2aff s LEU 28 CO -0.07 0.09 0.11 -0.36 -1.32 0.00 0.00 176.35 174.80 2aff s PHE 29 N 0.71 3.37 -5.00 5.38 0.40 0.15 0.16 117.98 123.15 2aff s PHE 29 Ca -0.10 0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.49 2aff s PHE 29 Cb -0.16 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.59 2aff s PHE 29 CO 0.01 0.58 0.00 0.41 0.70 0.00 0.00 175.22 176.92 2aff n GLY 30 N 1.19 -0.86 0.08 4.36 0.00 -0.72 -2.33 105.19 106.92 2aff n GLY 30 Ca -0.13 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 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 1.72 0.04 -6.98 1.61 2.43 -0.76 -2.18 114.38 110.26 2aff h ARG 31 Ca 0.00 -0.07 -0.56 0.00 -0.81 0.00 0.00 59.98 58.54 2aff h ARG 31 Cb 0.00 0.03 0.17 0.00 -0.42 0.00 0.00 29.97 29.75 2aff h ARG 31 CO 0.00 0.74 0.20 0.41 -1.51 0.00 0.00 179.97 179.81 2aff n GLY 32 N 1.53 -0.19 0.22 2.80 0.00 -1.02 -4.77 105.19 103.75 2aff n GLY 32 Ca -0.13 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 2aff n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aff h ILE 33 N -0.01 1.22 0.00 -0.61 1.08 -1.91 -2.37 117.51 114.90 2aff h ILE 33 Ca -0.48 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.26 2aff h ILE 33 Cb 1.34 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 2aff h ILE 33 CO 0.49 0.26 0.19 -0.33 -0.69 0.00 0.00 178.15 178.07 2aff h GLU 34 N 0.59 0.00 -6.30 2.37 4.39 -1.94 -3.41 114.58 110.28 2aff h GLU 34 Ca 0.15 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.31 2aff h GLU 34 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2aff h GLU 34 CO -0.01 0.00 1.16 0.00 -1.16 0.00 0.00 179.01 179.00 2aff h ASP 36 N 10.13 0.00 -3.31 0.00 2.03 0.13 -3.33 116.42 122.07 2aff h ASP 36 Ca -0.43 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.28 2aff h ASP 36 Cb 1.20 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 39.33 2aff h ASP 36 CO 0.95 0.00 -0.81 -0.63 -1.03 0.00 0.00 179.24 177.72 2aff s ILE 37 N -4.49 1.42 -0.18 4.15 -1.09 -0.16 -4.94 121.20 115.92 2aff s ILE 37 Ca -0.04 -0.76 -0.09 0.00 -2.23 0.00 0.00 60.65 57.53 2aff s ILE 37 Cb 0.14 -1.49 -0.05 0.00 -1.58 0.00 0.00 42.46 39.49 2aff s ILE 37 CO 0.49 0.23 0.11 -0.13 -1.23 0.00 0.00 174.94 174.42 2aff s ARG 38 N 1.51 3.96 -0.08 2.79 0.52 -1.25 -1.75 118.95 124.66 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 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.01 2aff s ARG 38 CO -0.09 0.40 -0.20 0.42 0.02 0.00 0.00 175.30 175.85 2aff s ILE 39 N 0.05 1.73 -0.05 1.52 1.01 -0.82 -4.97 121.20 119.68 2aff s ILE 39 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2aff s ILE 39 Cb -0.11 -1.51 0.05 0.00 0.01 0.00 0.00 42.46 40.90 2aff s ILE 39 CO -0.00 0.49 1.56 0.00 0.00 0.00 0.00 174.94 176.98 2aff n GLN 40 N 3.46 1.13 -3.54 2.79 6.02 -1.26 -4.52 117.38 121.46 2aff n GLN 40 Ca -0.20 -0.28 -0.40 0.00 -0.01 0.00 0.00 57.00 56.12 2aff n GLN 40 Cb 0.53 -1.11 -0.11 0.00 1.02 0.00 0.00 30.24 30.57 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 -0.31 4.47 0.36 1.08 1.43 -1.26 -4.94 118.68 119.50 2aff s LEU 41 Ca 0.05 -0.40 0.20 0.00 -1.03 0.00 0.00 54.13 52.95 2aff s LEU 41 Cb 0.04 -2.13 1.07 0.00 0.03 0.00 0.00 46.19 45.20 2aff s LEU 41 CO 0.00 -0.22 1.56 -0.65 0.23 0.00 0.00 176.35 177.28 2aff h PRO 42 N 8.48 0.00 -0.57 1.29 0.11 -2.03 0.20 132.00 139.48 2aff h PRO 42 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2aff h PRO 42 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2aff h PRO 42 CO 0.63 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.75 2aff n VAL 43 N -2.25 0.76 -3.73 3.15 0.24 -1.26 -4.89 118.33 110.35 2aff n VAL 43 Ca -0.01 -0.84 -0.36 0.00 -2.04 0.00 0.00 64.34 61.09 2aff n VAL 43 Cb 0.18 0.60 -0.07 0.00 -1.47 0.00 0.00 33.84 33.07 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 -1.24 5.40 0.95 3.34 1.01 0.71 -4.84 120.40 125.73 2aff s VAL 44 Ca 0.43 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 2aff s VAL 44 Cb 0.23 -3.49 0.16 0.00 0.00 0.00 0.00 36.38 33.28 2aff s VAL 44 CO 0.31 0.48 1.11 -0.44 0.00 0.00 0.00 175.10 176.55 2aff s SER 45 N 0.03 3.10 0.19 3.32 0.01 -1.26 -4.45 113.70 114.64 2aff s SER 45 Ca 0.11 1.14 -0.09 0.00 1.31 0.00 0.00 55.95 58.41 2aff s SER 45 Cb -0.12 -1.78 0.09 0.00 0.21 0.00 0.00 66.02 64.43 2aff s SER 45 CO 0.01 -2.83 1.69 0.11 0.41 0.00 0.00 173.24 172.63 2aff h LYS 46 N -1.68 1.07 0.00 12.44 1.57 -1.93 0.92 116.57 128.95 2aff h LYS 46 Ca -0.52 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 57.90 2aff h LYS 46 Cb 1.32 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 2aff h LYS 46 CO 0.59 0.96 -1.75 1.04 -0.57 0.00 0.00 179.45 179.72 2aff n GLN 47 N -4.27 0.97 0.00 3.15 1.13 -1.26 -2.44 117.38 114.66 2aff n GLN 47 Ca 0.04 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 2aff n GLN 47 Cb 0.26 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 -2.19 0.00 -4.17 1.08 -0.00 -1.17 -4.07 115.22 104.70 2aff n HIS 48 Ca -0.10 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 57.91 2aff n HIS 48 Cb 0.59 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.31 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 0.17 2.31 -0.13 0.00 2.20 -0.50 0.34 119.74 124.13 2aff s LYS 50 Ca -0.02 -0.61 -0.02 0.00 -0.36 0.00 0.00 55.97 54.96 2aff s LYS 50 Cb -0.06 -1.86 -0.02 0.00 -1.51 0.00 0.00 37.83 34.38 2aff s LYS 50 CO -0.00 0.04 -0.08 0.42 -0.36 0.00 0.00 175.35 175.37 2aff s ILE 51 N 0.69 3.56 -0.11 5.43 1.01 0.80 -0.34 121.20 132.25 2aff s ILE 51 Ca -0.13 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.05 2aff s ILE 51 Cb -0.16 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 2aff s ILE 51 CO 0.03 0.52 -0.14 -1.61 0.00 0.00 0.00 174.94 173.74 2aff s GLU 52 N 0.18 3.15 -0.33 2.79 2.02 -0.68 -1.89 118.70 123.94 2aff s GLU 52 Ca -0.04 -0.69 -0.11 0.00 0.02 0.00 0.00 54.97 54.15 2aff s GLU 52 Cb -0.14 -2.56 -0.00 0.00 0.10 0.00 0.00 34.13 31.53 2aff s GLU 52 CO 0.04 0.32 0.19 0.42 0.02 0.00 0.00 175.26 176.24 2aff s ILE 53 N 0.08 4.76 -0.06 -1.63 -1.09 -0.14 -1.83 121.20 121.28 2aff s ILE 53 Ca -0.06 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 57.93 2aff s ILE 53 Cb -0.15 -3.48 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 2aff s ILE 53 CO 0.05 -0.02 -0.19 -1.00 -1.23 0.00 0.00 174.94 172.54 2aff s HIS 54 N 1.63 2.58 0.45 3.97 3.76 0.73 -4.92 115.29 123.50 2aff s HIS 54 Ca 0.04 -0.43 0.34 0.00 -0.15 0.00 0.00 55.06 54.86 2aff s HIS 54 Cb -0.18 -1.63 1.52 0.00 1.11 0.00 0.00 32.58 33.40 2aff s HIS 54 CO 0.07 -0.02 1.57 0.39 -0.85 0.00 0.00 174.74 175.90 2aff n GLU 55 N 2.69 -0.03 0.07 1.40 -0.58 -1.26 0.29 120.64 123.22 2aff n GLU 55 Ca -0.17 1.25 -0.03 0.00 -0.42 0.00 0.00 57.16 57.79 2aff n GLU 55 Cb 0.52 -2.49 -0.01 0.00 -0.57 0.00 0.00 31.44 28.89 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2aff h GLN 56 N 0.00 -0.18 0.00 3.49 4.20 -2.01 -3.49 115.11 117.12 2aff h GLN 56 Ca 0.89 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.61 2aff h GLN 56 Cb 2.91 0.04 0.00 0.00 0.30 0.00 0.00 27.48 30.73 2aff h GLN 56 CO -0.44 -0.12 0.00 -0.85 -0.67 0.00 0.00 178.83 176.75 2aff n GLU 57 N -2.50 0.00 -5.19 1.46 0.28 0.15 -5.17 120.64 109.67 2aff n GLU 57 Ca -0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.67 2aff n GLU 57 Cb 0.07 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 32.78 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2aff s ALA 58 N -1.00 2.07 -0.10 -1.84 0.00 -1.26 -0.19 121.76 119.43 2aff s ALA 58 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.01 2aff s ALA 58 Cb 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 2aff s ALA 58 CO 0.00 0.36 -0.18 0.42 0.00 0.00 0.00 175.76 176.36 2aff s ILE 59 N -0.00 2.59 -0.19 0.00 1.01 -0.76 0.18 121.20 124.03 2aff s ILE 59 Ca -0.07 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 2aff s ILE 59 Cb -0.15 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2aff s ILE 59 CO 0.05 0.55 0.35 -0.22 0.00 0.00 0.00 174.94 175.67 2aff s LEU 60 N 0.20 4.18 -0.09 2.97 2.96 0.73 -1.69 118.68 127.95 2aff s LEU 60 Ca -0.11 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 2aff s LEU 60 Cb -0.16 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 2aff s LEU 60 CO 0.06 -0.01 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.91 2aff s HIS 61 N 1.01 2.67 -0.48 5.38 3.76 0.54 -2.00 115.29 126.16 2aff s HIS 61 Ca 0.18 -0.54 -0.16 0.00 -0.15 0.00 0.00 55.06 54.38 2aff s HIS 61 Cb -0.14 -1.71 0.07 0.00 1.11 0.00 0.00 32.58 31.91 2aff s HIS 61 CO 0.07 -0.11 0.44 1.21 -0.85 0.00 0.00 174.74 175.50 2aff s ASN 62 N -0.11 6.16 0.00 1.40 2.47 -1.26 -1.41 114.94 122.20 2aff s ASN 62 Ca -0.03 -1.25 0.23 0.00 0.42 0.00 0.00 52.86 52.23 2aff s ASN 62 Cb -0.14 -2.20 0.10 0.00 -1.45 0.00 0.00 41.25 37.56 2aff s ASN 62 CO 0.04 -0.69 1.14 0.49 -3.72 0.00 0.00 177.10 174.35 2aff n PHE 63 N 5.38 0.00 -2.50 0.43 3.01 -0.76 -4.81 117.46 118.21 2aff n PHE 63 Ca -0.11 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.94 2aff n PHE 63 Cb 0.44 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 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 -2.79 6.08 0.12 4.37 0.15 -0.44 -4.61 113.70 116.58 2aff s SER 64 Ca 0.14 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.37 2aff s SER 64 Cb 0.17 -2.56 -0.16 0.00 -1.71 0.00 0.00 66.02 61.77 2aff s SER 64 CO 0.71 -1.88 1.26 0.77 1.20 0.00 0.00 173.24 175.30 2aff h SER 65 N 10.50 0.27 -0.22 5.45 4.64 -1.91 -3.07 113.55 129.21 2aff h SER 65 Ca -0.25 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 60.76 2aff h SER 65 Cb 1.06 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2aff h SER 65 CO 1.28 1.15 -0.03 0.74 -0.87 0.00 0.00 176.83 179.10 2aff h THR 66 N 0.08 1.27 -2.21 2.95 2.02 -1.98 -3.42 112.91 111.62 2aff h THR 66 Ca -0.07 -0.98 -0.38 0.00 0.77 0.00 0.00 66.41 65.75 2aff h THR 66 Cb 1.74 1.47 -0.34 0.00 -1.74 0.00 0.00 68.15 69.28 2aff h THR 66 CO 0.16 0.30 -0.68 0.20 0.37 0.00 0.00 175.52 175.87 2aff s ASN 67 N -5.97 1.87 0.52 4.18 0.01 -1.24 -5.15 114.94 109.16 2aff s ASN 67 Ca -0.14 -1.09 -0.21 0.00 -0.71 0.00 0.00 52.86 50.71 2aff s ASN 67 Cb 0.07 0.36 -0.07 0.00 0.41 0.00 0.00 41.25 42.01 2aff s ASN 67 CO 0.75 -0.36 1.02 -2.65 -1.51 0.00 0.00 177.10 174.35 2aff n PRO 68 N 4.99 1.20 -2.36 -0.60 -0.02 -1.16 -4.72 135.00 132.33 2aff n PRO 68 Ca 0.01 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 2aff n PRO 68 Cb 0.45 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.39 3.32 -0.10 3.45 2.01 -1.26 -4.81 115.64 116.86 2aff s THR 69 Ca 0.69 1.27 -0.05 0.00 0.31 0.00 0.00 61.69 63.91 2aff s THR 69 Cb -0.47 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2aff s THR 69 CO 0.52 0.28 0.10 -1.10 -0.69 0.00 0.00 174.62 173.72 2aff s GLN 70 N -1.22 3.28 -0.01 4.92 -0.21 -0.70 -2.10 119.66 123.62 2aff s GLN 70 Ca 0.48 -0.25 0.03 0.00 0.02 0.00 0.00 55.36 55.64 2aff s GLN 70 Cb -0.34 -3.04 -0.01 0.00 1.00 0.00 0.00 33.01 30.62 2aff s GLN 70 CO 0.43 0.74 -0.11 0.08 -2.12 0.00 0.00 175.29 174.31 2aff s VAL 71 N -1.02 0.89 -1.22 1.09 1.01 0.21 0.21 120.40 121.57 2aff s VAL 71 Ca 0.16 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2aff s VAL 71 Cb -0.12 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.54 2aff s VAL 71 CO 0.05 0.25 0.23 0.59 0.00 0.00 0.00 175.10 176.22 2aff n ASN 72 N 2.84 -4.21 -0.97 3.32 5.03 -0.96 -0.06 115.26 120.26 2aff n ASN 72 Ca -0.14 -0.06 -0.08 0.00 0.87 0.00 0.00 54.58 55.17 2aff n ASN 72 Cb 0.56 -3.51 -0.00 0.00 -1.02 0.00 0.00 39.78 35.80 2aff n ASN 72 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2aff n GLY 73 N -1.02 0.03 3.12 7.41 0.00 -1.26 -5.04 105.19 108.44 2aff n GLY 73 Ca -0.10 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.64 -0.16 0.28 1.61 0.01 0.92 -5.12 113.70 108.60 2aff s SER 74 Ca 0.01 0.23 -0.29 0.00 1.31 0.00 0.00 55.95 57.21 2aff s SER 74 Cb -0.00 0.37 -0.10 0.00 0.21 0.00 0.00 66.02 66.50 2aff s SER 74 CO 0.01 -0.20 1.25 -0.69 0.41 0.00 0.00 173.24 174.02 2aff s VAL 75 N -0.44 3.08 -0.48 3.43 1.01 -1.26 0.63 120.40 126.36 2aff s VAL 75 Ca -0.05 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 2aff s VAL 75 Cb -0.04 -3.65 0.12 0.00 0.00 0.00 0.00 36.38 32.81 2aff s VAL 75 CO 0.01 0.22 0.38 -0.63 0.00 0.00 0.00 175.10 175.08 2aff s ILE 76 N -0.78 4.46 0.19 2.22 1.01 -0.89 -4.89 121.20 122.52 2aff s ILE 76 Ca 0.50 -1.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.38 2aff s ILE 76 Cb -0.37 -3.90 0.08 0.00 0.01 0.00 0.00 42.46 38.28 2aff s ILE 76 CO 0.45 -0.78 1.66 0.44 0.00 0.00 0.00 174.94 176.71 2aff h ASP 77 N 8.56 1.02 -3.07 3.58 3.32 -1.95 -3.43 116.42 124.45 2aff h ASP 77 Ca -0.23 -0.28 -0.56 0.00 0.02 0.00 0.00 57.03 55.98 2aff h ASP 77 Cb 1.08 -0.27 -0.13 0.00 0.22 0.00 0.00 39.33 40.22 2aff h ASP 77 CO 0.90 1.07 -0.52 -1.61 -1.72 0.00 0.00 179.24 177.35 2aff s GLU 78 N -5.04 1.92 0.51 3.56 8.01 -1.26 -4.98 118.70 121.41 2aff s GLU 78 Ca -0.11 -2.17 -0.23 0.00 0.01 0.00 0.00 54.97 52.47 2aff s GLU 78 Cb 0.14 -0.65 -0.06 0.00 -4.31 0.00 0.00 34.13 29.25 2aff s GLU 78 CO 0.85 -0.46 1.33 -2.30 0.01 0.00 0.00 175.26 174.70 2aff n PRO 79 N -0.91 1.80 -3.85 0.39 -0.02 -1.26 -4.82 135.00 126.34 2aff n PRO 79 Ca -0.06 0.66 -0.12 0.00 -2.02 0.00 0.00 63.50 61.95 2aff n PRO 79 Cb 0.65 -2.53 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.26 0.01 0.13 -1.45 0.11 -0.85 -4.98 120.40 112.11 2aff s VAL 80 Ca 0.68 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 59.32 2aff s VAL 80 Cb -0.44 -0.17 -0.07 0.00 -1.53 0.00 0.00 36.38 34.17 2aff s VAL 80 CO 0.52 -0.06 1.18 -0.13 -3.33 0.00 0.00 175.10 173.29 2aff s ARG 81 N -0.14 4.49 0.10 1.54 0.52 -1.26 -0.19 118.95 123.99 2aff s ARG 81 Ca -0.02 1.80 -0.22 0.00 -0.52 0.00 0.00 55.73 56.77 2aff s ARG 81 Cb -0.02 -3.29 -0.07 0.00 0.52 0.00 0.00 34.95 32.09 2aff s ARG 81 CO 0.00 -0.13 0.66 -0.51 0.02 0.00 0.00 175.30 175.34 2aff s LEU 82 N 0.28 4.54 0.12 2.53 1.43 0.47 -4.89 118.68 123.16 2aff s LEU 82 Ca 0.55 1.40 0.05 0.00 -1.03 0.00 0.00 54.13 55.10 2aff s LEU 82 Cb -0.31 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 2aff s LEU 82 CO 0.33 0.22 -0.12 -0.75 0.23 0.00 0.00 176.35 176.26 2aff s LYS 83 N -0.98 0.96 -0.09 1.70 2.20 -1.26 -4.25 119.74 118.02 2aff s LYS 83 Ca 0.32 -1.23 -0.33 0.00 -0.36 0.00 0.00 55.97 54.37 2aff s LYS 83 Cb -0.21 -0.74 -0.11 0.00 -1.51 0.00 0.00 37.83 35.26 2aff s LYS 83 CO 0.22 0.13 1.95 1.58 -0.36 0.00 0.00 175.35 178.87 2aff n HIS 84 N 0.48 2.29 0.00 4.03 -0.00 -1.26 -0.59 115.22 120.17 2aff n HIS 84 Ca -0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.49 2aff n HIS 84 Cb 0.58 -2.69 0.00 0.00 -0.00 0.00 0.00 29.99 27.87 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 4.70 1.37 3.71 1.57 0.00 -1.00 -4.96 105.19 110.57 2aff n GLY 85 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2aff n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aff s ASP 86 N -1.90 6.80 -0.14 1.61 -1.08 0.25 -4.83 116.67 117.38 2aff s ASP 86 Ca 0.00 2.29 -0.02 0.00 -0.52 0.00 0.00 52.55 54.29 2aff s ASP 86 Cb 0.00 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.86 2aff s ASP 86 CO 0.00 -0.70 -0.05 -0.69 0.52 0.00 0.00 175.17 174.25 2aff s VAL 87 N 1.61 3.78 -0.17 1.11 1.01 -1.26 -1.79 120.40 124.68 2aff s VAL 87 Ca 0.65 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 2aff s VAL 87 Cb -0.36 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2aff s VAL 87 CO 0.29 0.52 0.37 -0.63 0.00 0.00 0.00 175.10 175.65 2aff s ILE 88 N 0.13 5.24 -0.15 2.22 -1.09 -0.02 -2.26 121.20 125.27 2aff s ILE 88 Ca -0.02 0.68 0.01 0.00 -2.23 0.00 0.00 60.65 59.10 2aff s ILE 88 Cb -0.14 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 2aff s ILE 88 CO 0.03 0.31 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.98 2aff s THR 89 N 0.89 2.37 -0.12 2.92 2.01 0.57 0.76 115.64 125.04 2aff s THR 89 Ca 0.19 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.34 2aff s THR 89 Cb -0.14 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.40 2aff s THR 89 CO 0.07 0.53 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.70 2aff s ILE 90 N 0.84 1.83 0.00 1.82 1.01 0.61 -1.72 121.20 125.59 2aff s ILE 90 Ca -0.06 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2aff s ILE 90 Cb -0.15 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.69 2aff s ILE 90 CO -0.02 0.51 0.00 -0.38 0.00 0.00 0.00 174.94 175.05 2aff n ILE 91 N 4.01 0.00 -0.42 2.92 2.08 -1.26 0.23 119.36 126.93 2aff n ILE 91 Ca -0.20 0.00 0.10 0.00 0.56 0.00 0.00 62.75 63.21 2aff n ILE 91 Cb 0.52 0.00 0.29 0.00 -0.75 0.00 0.00 39.64 39.70 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 3.14 3.94 -4.14 4.38 8.00 -1.26 -4.95 116.55 125.66 2aff n ASP 92 Ca 0.00 -2.15 -0.19 0.00 0.71 0.00 0.00 54.79 53.16 2aff n ASP 92 Cb 0.00 -0.46 -0.13 0.00 -0.02 0.00 0.00 41.12 40.51 2aff n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aff s ARG 93 N -1.29 0.85 0.05 -1.24 1.70 0.64 -4.33 118.95 115.33 2aff s ARG 93 Ca 0.44 -0.80 0.01 0.00 -0.47 0.00 0.00 55.73 54.91 2aff s ARG 93 Cb 0.25 -0.84 -0.03 0.00 -0.57 0.00 0.00 34.95 33.76 2aff s ARG 93 CO 0.26 0.20 -0.06 0.45 -1.08 0.00 0.00 175.30 175.07 2aff s SER 94 N -1.33 0.76 -0.16 -2.89 0.15 -1.26 0.23 113.70 109.19 2aff s SER 94 Ca -0.00 -0.67 0.01 0.00 0.70 0.00 0.00 55.95 55.99 2aff s SER 94 Cb -0.09 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2aff s SER 94 CO 0.01 -0.31 -0.19 -0.36 1.20 0.00 0.00 173.24 173.60 2aff s PHE 95 N -2.04 2.57 -0.06 3.44 0.40 0.23 -2.08 117.98 120.44 2aff s PHE 95 Ca -0.06 -1.44 -0.25 0.00 -0.60 0.00 0.00 56.93 54.59 2aff s PHE 95 Cb -0.06 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 2aff s PHE 95 CO -0.02 -0.71 0.76 1.03 0.70 0.00 0.00 175.22 176.98 2aff s ARG 96 N 1.21 4.45 -0.25 0.44 0.52 -0.89 -0.84 118.95 123.60 2aff s ARG 96 Ca 0.02 0.99 -0.13 0.00 -0.52 0.00 0.00 55.73 56.09 2aff s ARG 96 Cb -0.14 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 2aff s ARG 96 CO -0.09 0.01 0.28 -0.47 0.02 0.00 0.00 175.30 175.06 2aff s TYR 97 N 0.93 3.29 -0.14 -0.53 5.04 -0.74 -2.20 117.35 123.00 2aff s TYR 97 Ca 0.40 0.36 0.02 0.00 -2.44 0.00 0.00 57.07 55.41 2aff s TYR 97 Cb -0.18 -2.44 0.02 0.00 0.35 0.00 0.00 41.96 39.70 2aff s TYR 97 CO 0.20 -0.07 -0.19 -1.21 -1.34 0.00 0.00 175.55 172.93 2aff s GLU 98 N 1.52 2.72 -0.42 4.97 2.02 -0.79 -2.38 118.70 126.35 2aff s GLU 98 Ca 0.12 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.24 2aff s GLU 98 Cb -0.15 -2.29 0.04 0.00 0.10 0.00 0.00 34.13 31.83 2aff s GLU 98 CO 0.08 -0.10 0.31 1.21 0.02 0.00 0.00 175.26 176.78 2aff s ASN 99 N 1.06 6.02 0.00 -0.19 3.84 -1.26 -1.78 114.94 122.62 2aff s ASN 99 Ca -0.03 -1.09 0.00 0.00 0.21 0.00 0.00 52.86 51.96 2aff s ASN 99 Cb -0.14 -2.13 0.00 0.00 -0.55 0.00 0.00 41.25 38.42 2aff s ASN 99 CO -0.06 -0.50 0.28 1.21 -2.79 0.00 0.00 177.10 175.24