#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dad s SER 2 N 0.00 2.11 -0.16 1.61 0.15 -1.26 -5.03 113.70 111.12 2dad s SER 2 Ca 0.00 -0.44 -0.26 0.00 0.70 0.00 0.00 55.95 55.95 2dad s SER 2 Cb 0.00 -0.32 -0.23 0.00 -1.71 0.00 0.00 66.02 63.76 2dad s SER 2 CO 0.00 -0.30 0.56 -1.28 1.20 0.00 0.00 173.24 173.42 2dad h SER 3 N 8.37 0.00 0.00 5.45 0.87 -1.98 -3.44 113.55 122.83 2dad h SER 3 Ca -0.15 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.60 2dad h SER 3 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2dad h SER 3 CO 0.27 1.17 0.00 0.61 -0.53 0.00 0.00 176.83 178.35 2dad n GLY 4 N 1.55 -1.38 3.81 5.77 0.00 -1.26 -4.78 105.19 108.90 2dad n GLY 4 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2dad n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dad n SER 5 N 0.00 -4.55 -0.01 1.61 3.41 -1.26 -4.83 113.62 107.99 2dad n SER 5 Ca 0.00 -0.71 0.01 0.00 -0.26 0.00 0.00 58.87 57.91 2dad n SER 5 Cb 0.00 -3.66 -0.05 0.00 -0.26 0.00 0.00 64.21 60.24 2dad n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dad n SER 6 N -2.69 3.36 0.00 4.04 2.88 -1.26 -4.82 113.62 115.13 2dad n SER 6 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2dad n SER 6 Cb 0.53 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 65.11 2dad n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dad n GLY 7 N 2.25 -1.21 3.54 0.46 0.00 -1.08 -5.00 105.19 104.14 2dad n GLY 7 Ca -0.04 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 2dad n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dad s GLN 8 N -4.46 0.66 0.05 1.61 2.00 0.71 -4.89 119.66 115.35 2dad s GLN 8 Ca 0.00 1.04 0.09 0.00 -2.00 0.00 0.00 55.36 54.49 2dad s GLN 8 Cb 0.00 0.18 -0.03 0.00 0.80 0.00 0.00 33.01 33.96 2dad s GLN 8 CO 0.00 -0.13 -0.25 -1.50 -0.50 0.00 0.00 175.29 172.91 2dad s ILE 9 N 1.18 2.26 -0.08 -2.34 2.07 -1.11 -1.88 121.20 121.30 2dad s ILE 9 Ca -0.07 -1.38 -0.02 0.00 -1.41 0.00 0.00 60.65 57.77 2dad s ILE 9 Cb -0.05 -1.90 0.03 0.00 0.13 0.00 0.00 42.46 40.67 2dad s ILE 9 CO -0.12 0.34 0.02 -2.28 -1.91 0.00 0.00 174.94 170.99 2dad s HIS 10 N -0.84 0.59 0.12 3.50 5.65 -0.36 -1.51 115.29 122.43 2dad s HIS 10 Ca 0.12 -0.17 0.03 0.00 0.25 0.00 0.00 55.06 55.29 2dad s HIS 10 Cb -0.10 -0.77 -0.04 0.00 -1.18 0.00 0.00 32.58 30.49 2dad s HIS 10 CO 0.03 -0.34 0.17 -0.51 -0.65 0.00 0.00 174.74 173.44 2dad s LEU 11 N 2.00 4.04 -0.18 8.88 2.01 -0.00 0.67 118.68 136.09 2dad s LEU 11 Ca 0.04 0.04 -0.02 0.00 0.01 0.00 0.00 54.13 54.21 2dad s LEU 11 Cb -0.13 -2.65 0.05 0.00 0.01 0.00 0.00 46.19 43.47 2dad s LEU 11 CO -0.05 0.10 -0.00 -0.36 1.01 0.00 0.00 176.35 177.05 2dad s PHE 12 N -1.63 1.36 0.26 0.29 0.08 -0.12 -1.76 117.98 116.46 2dad s PHE 12 Ca 0.32 -0.96 -0.09 0.00 0.12 0.00 0.00 56.93 56.32 2dad s PHE 12 Cb -0.11 -1.16 0.42 0.00 -0.57 0.00 0.00 43.02 41.60 2dad s PHE 12 CO 0.25 -0.60 1.58 1.03 -0.10 0.00 0.00 175.22 177.38 2dad h SER 13 N 8.18 -0.79 -2.72 1.36 0.87 -1.36 -2.91 113.55 116.19 2dad h SER 13 Ca -0.19 0.26 -0.51 0.00 -1.23 0.00 0.00 61.79 60.13 2dad h SER 13 Cb 1.11 0.54 -0.01 0.00 -0.44 0.00 0.00 62.40 63.60 2dad h SER 13 CO 0.36 -0.29 -0.31 -1.61 -0.53 0.00 0.00 176.83 174.44 2dad s GLU 14 N -6.23 3.50 0.85 2.24 2.02 -0.73 -3.43 118.70 116.92 2dad s GLU 14 Ca -0.15 -0.41 -0.11 0.00 0.02 0.00 0.00 54.97 54.32 2dad s GLU 14 Cb 0.25 -2.80 0.10 0.00 0.10 0.00 0.00 34.13 31.78 2dad s GLU 14 CO 0.77 0.34 1.09 -1.25 0.02 0.00 0.00 175.26 176.23 2dad s PRO 15 N -3.68 1.61 -1.28 0.39 0.04 -1.26 -2.90 135.00 127.91 2dad s PRO 15 Ca 0.38 0.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 2dad s PRO 15 Cb -0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2dad s PRO 15 CO 0.31 -2.03 0.23 1.04 0.04 0.00 0.00 177.00 176.58 2dad n GLN 16 N -3.75 -2.48 -3.74 4.56 6.02 -0.32 -2.66 117.38 115.01 2dad n GLN 16 Ca 0.08 0.74 -0.24 0.00 -0.01 0.00 0.00 57.00 57.57 2dad n GLN 16 Cb 0.54 -5.14 0.04 0.00 1.02 0.00 0.00 30.24 26.70 2dad n GLN 16 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2dad n PHE 17 N -4.12 -2.10 -4.71 1.08 3.72 -1.25 -4.99 117.46 105.09 2dad n PHE 17 Ca -0.14 0.88 -0.31 0.00 -0.05 0.00 0.00 57.45 57.82 2dad n PHE 17 Cb 0.62 -4.37 -0.08 0.00 -0.94 0.00 0.00 39.48 34.71 2dad n PHE 17 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2dad s GLN 18 N -6.14 2.13 2.53 -1.08 -1.52 -1.09 -5.04 119.66 109.45 2dad s GLN 18 Ca 0.22 -2.34 0.00 0.00 -1.95 0.00 0.00 55.36 51.29 2dad s GLN 18 Cb -0.11 -1.39 0.00 0.00 -0.22 0.00 0.00 33.01 31.30 2dad s GLN 18 CO 0.81 -0.36 0.00 0.41 -0.25 0.00 0.00 175.29 175.90 2dad n GLY 19 N -1.18 -0.10 3.49 3.09 0.00 -1.26 -1.77 105.19 107.46 2dad n GLY 19 Ca -0.16 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 2dad n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dad n HIS 20 N -0.13 -0.64 -4.12 1.61 8.25 -1.26 -4.74 115.22 114.20 2dad n HIS 20 Ca 0.00 0.33 -0.15 0.00 -0.26 0.00 0.00 57.72 57.63 2dad n HIS 20 Cb 0.00 -1.91 -0.14 0.00 1.12 0.00 0.00 29.99 29.05 2dad n HIS 20 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2dad s SER 21 N -1.70 0.52 -0.13 0.41 1.04 -1.26 -1.36 113.70 111.21 2dad s SER 21 Ca 0.65 -0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.95 2dad s SER 21 Cb -0.30 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 65.82 2dad s SER 21 CO 0.59 0.05 0.26 -1.10 0.98 0.00 0.00 173.24 174.03 2dad s GLN 22 N -0.10 0.15 0.12 4.02 1.11 -0.72 -5.01 119.66 119.22 2dad s GLN 22 Ca 0.02 0.75 0.06 0.00 0.01 0.00 0.00 55.36 56.20 2dad s GLN 22 Cb -0.02 -0.03 -0.04 0.00 -1.01 0.00 0.00 33.01 31.91 2dad s GLN 22 CO -0.00 -0.28 -0.02 -1.54 0.01 0.00 0.00 175.29 173.45 2dad s SER 23 N 2.41 4.82 -0.02 5.90 1.04 -1.26 -0.82 113.70 125.77 2dad s SER 23 Ca 0.01 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.19 2dad s SER 23 Cb -0.12 -1.07 -0.00 0.00 0.10 0.00 0.00 66.02 64.93 2dad s SER 23 CO -0.09 0.15 -0.12 -0.36 0.98 0.00 0.00 173.24 173.80 2dad s PHE 24 N -1.43 1.11 -0.16 5.02 0.40 -0.57 -5.01 117.98 117.34 2dad s PHE 24 Ca 0.25 -0.25 0.11 0.00 -0.60 0.00 0.00 56.93 56.45 2dad s PHE 24 Cb -0.11 -0.74 -0.18 0.00 0.51 0.00 0.00 43.02 42.50 2dad s PHE 24 CO 0.17 -0.06 0.00 0.39 0.70 0.00 0.00 175.22 176.43 2dad n GLU 25 N 2.99 1.24 -4.49 0.44 4.71 -1.26 -2.73 120.64 121.54 2dad n GLU 25 Ca -0.16 0.02 -0.27 0.00 -0.01 0.00 0.00 57.16 56.74 2dad n GLU 25 Cb 0.55 -1.40 -0.10 0.00 -1.01 0.00 0.00 31.44 29.48 2dad n GLU 25 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2dad s GLU 26 N -2.38 2.01 -0.21 3.49 2.02 -1.26 -4.88 118.70 117.49 2dad s GLU 26 Ca -0.12 -2.01 -0.31 0.00 0.02 0.00 0.00 54.97 52.54 2dad s GLU 26 Cb 0.05 -1.74 -0.08 0.00 0.10 0.00 0.00 34.13 32.46 2dad s GLU 26 CO 0.60 -0.03 2.13 2.41 0.02 0.00 0.00 175.26 180.39 2dad n THR 27 N -1.01 0.39 -3.55 3.63 -1.04 -1.26 -4.83 114.28 106.61 2dad n THR 27 Ca -0.04 -0.31 -0.32 0.00 -2.04 0.00 0.00 64.05 61.34 2dad n THR 27 Cb 0.66 -2.16 -0.05 0.00 -1.82 0.00 0.00 70.33 66.95 2dad n THR 27 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2dad s THR 28 N 6.91 5.05 -0.01 12.58 2.01 -1.04 -4.95 115.64 136.19 2dad s THR 28 Ca 1.01 0.29 0.02 0.00 0.31 0.00 0.00 61.69 63.32 2dad s THR 28 Cb -0.55 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2dad s THR 28 CO 0.43 0.03 0.03 -1.54 -0.69 0.00 0.00 174.62 172.87 2dad n SER 29 N 0.12 4.44 -4.09 3.53 3.41 -1.26 0.00 113.62 119.77 2dad n SER 29 Ca -0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.40 2dad n SER 29 Cb 0.52 0.78 -0.14 0.00 -0.26 0.00 0.00 64.21 65.11 2dad n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dad s GLN 30 N -2.10 0.85 0.16 4.33 0.00 -1.14 -3.97 119.66 117.78 2dad s GLN 30 Ca -0.01 -0.57 0.06 0.00 -0.00 0.00 0.00 55.36 54.83 2dad s GLN 30 Cb 0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 33.01 32.16 2dad s GLN 30 CO 0.10 0.21 0.08 0.42 0.00 0.00 0.00 175.29 176.10 2dad s ILE 31 N -0.61 4.23 -0.62 3.63 -1.09 -1.07 -4.91 121.20 120.76 2dad s ILE 31 Ca 0.02 -1.15 -0.29 0.00 -2.23 0.00 0.00 60.65 56.99 2dad s ILE 31 Cb -0.06 -3.13 -0.12 0.00 -1.58 0.00 0.00 42.46 37.56 2dad s ILE 31 CO 0.00 -0.08 2.46 -0.67 -1.23 0.00 0.00 174.94 175.43 2dad n ASP 32 N -0.16 1.66 -2.82 3.58 -0.08 -1.26 -1.49 116.55 115.98 2dad n ASP 32 Ca -0.09 -0.12 -0.13 0.00 -1.51 0.00 0.00 54.79 52.94 2dad n ASP 32 Cb 0.54 -1.32 -0.01 0.00 2.34 0.00 0.00 41.12 42.68 2dad n ASP 32 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2dad n ASP 33 N 13.08 -2.81 -3.21 1.67 9.92 -1.26 0.74 116.55 134.67 2dad n ASP 33 Ca 0.47 0.06 -0.23 0.00 -0.53 0.00 0.00 54.79 54.56 2dad n ASP 33 Cb 0.33 -2.42 0.03 0.00 -0.64 0.00 0.00 41.12 38.41 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2dad n SER 34 N -1.87 -5.42 -4.62 -2.24 3.41 -0.56 -4.84 113.62 97.49 2dad n SER 34 Ca -0.05 -0.36 -0.48 0.00 -0.26 0.00 0.00 58.87 57.71 2dad n SER 34 Cb 0.55 -4.38 -0.05 0.00 -0.26 0.00 0.00 64.21 60.06 2dad n SER 34 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2dad n PHE 35 N -4.41 2.11 -1.34 7.33 1.16 0.23 -4.84 117.46 117.69 2dad n PHE 35 Ca -0.07 0.05 -0.35 0.00 -1.87 0.00 0.00 57.45 55.20 2dad n PHE 35 Cb 0.59 -2.64 0.09 0.00 -1.61 0.00 0.00 39.48 35.91 2dad n PHE 35 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2dad n SER 36 N 8.15 0.47 -3.86 5.98 2.88 -1.26 -4.68 113.62 121.31 2dad n SER 36 Ca 0.28 0.66 -0.20 0.00 -1.33 0.00 0.00 58.87 58.28 2dad n SER 36 Cb 0.30 -1.41 -0.17 0.00 -0.75 0.00 0.00 64.21 62.19 2dad n SER 36 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2dad s THR 37 N -1.84 0.46 -0.22 2.46 2.01 -1.26 -4.12 115.64 113.14 2dad s THR 37 Ca 0.73 -0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.78 2dad s THR 37 Cb -0.34 -0.52 -0.20 0.00 0.01 0.00 0.00 72.50 71.44 2dad s THR 37 CO 0.51 0.22 -0.07 0.29 -0.69 0.00 0.00 174.62 174.88 2dad n LYS 38 N 4.29 0.75 -4.28 4.92 5.02 -1.10 -4.80 118.16 122.95 2dad n LYS 38 Ca -0.21 0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 55.93 2dad n LYS 38 Cb 0.51 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.91 2dad n LYS 38 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2dad s SER 39 N -5.84 2.36 0.24 4.39 1.04 -1.22 -1.95 113.70 112.73 2dad s SER 39 Ca -0.20 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 55.39 2dad s SER 39 Cb 0.07 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 2dad s SER 39 CO 0.69 -0.06 0.28 0.00 0.98 0.00 0.00 173.24 175.13 2dad s ARG 41 N -3.92 0.12 -0.15 0.00 3.52 0.21 -1.87 118.95 116.86 2dad s ARG 41 Ca 0.34 0.07 -0.08 0.00 -0.13 0.00 0.00 55.73 55.93 2dad s ARG 41 Cb 0.04 -1.49 -0.04 0.00 -1.56 0.00 0.00 34.95 31.89 2dad s ARG 41 CO 0.14 -0.65 0.13 0.08 -0.81 0.00 0.00 175.30 174.19 2dad s VAL 42 N 2.23 5.43 -0.29 7.11 1.01 -1.19 -1.23 120.40 133.48 2dad s VAL 42 Ca 0.04 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 2dad s VAL 42 Cb -0.16 -3.41 0.18 0.00 0.00 0.00 0.00 36.38 32.99 2dad s VAL 42 CO -0.10 0.55 0.55 -0.55 0.00 0.00 0.00 175.10 175.54 2dad s SER 43 N -0.45 -1.00 0.00 3.32 0.15 -0.79 -2.71 113.70 112.22 2dad s SER 43 Ca 0.12 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2dad s SER 43 Cb -0.12 1.92 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 2dad s SER 43 CO 0.02 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2dad n GLY 44 N 5.41 1.40 0.00 9.45 0.00 -1.26 -0.21 105.19 119.99 2dad n GLY 44 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2dad n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dad n GLY 45 N -0.40 3.20 3.89 -0.02 0.00 -1.26 -2.64 105.19 107.96 2dad n GLY 45 Ca 0.00 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 2dad n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dad s SER 46 N 0.00 5.40 -0.05 1.61 0.01 -1.00 -4.65 113.70 115.01 2dad s SER 46 Ca 0.00 1.04 -0.02 0.00 1.31 0.00 0.00 55.95 58.28 2dad s SER 46 Cb 0.00 -1.84 0.04 0.00 0.21 0.00 0.00 66.02 64.42 2dad s SER 46 CO 0.00 -1.34 0.11 0.26 0.41 0.00 0.00 173.24 172.68 2dad s TRP 47 N -3.32 -0.11 -0.20 2.43 0.52 -1.07 -0.15 118.94 117.04 2dad s TRP 47 Ca 0.58 0.38 -0.09 0.00 0.02 0.00 0.00 56.10 56.99 2dad s TRP 47 Cb -0.11 -0.12 -0.04 0.00 -1.15 0.00 0.00 33.47 32.04 2dad s TRP 47 CO 0.51 -0.14 0.10 0.08 0.02 0.00 0.00 176.95 177.51 2dad s VAL 48 N 1.11 5.07 -0.22 4.03 1.01 -0.94 -0.74 120.40 129.72 2dad s VAL 48 Ca -0.09 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 2dad s VAL 48 Cb -0.12 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.96 2dad s VAL 48 CO -0.05 0.43 -0.09 0.68 0.00 0.00 0.00 175.10 176.07 2dad s VAL 49 N 0.52 2.84 -0.13 2.92 -7.23 -0.20 -1.66 120.40 117.47 2dad s VAL 49 Ca 0.06 -0.79 -0.07 0.00 -1.81 0.00 0.00 61.98 59.36 2dad s VAL 49 Cb -0.12 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2dad s VAL 49 CO 0.00 0.38 0.12 -0.31 -0.31 0.00 0.00 175.10 174.99 2dad s TYR 50 N 1.38 3.52 -0.63 2.82 1.51 -0.73 -2.38 117.35 122.83 2dad s TYR 50 Ca 0.04 0.45 0.24 0.00 -1.01 0.00 0.00 57.07 56.79 2dad s TYR 50 Cb -0.15 -1.96 0.91 0.00 -0.11 0.00 0.00 41.96 40.65 2dad s TYR 50 CO -0.06 0.63 1.74 -0.40 -1.11 0.00 0.00 175.55 176.34 2dad n ASP 51 N 2.27 0.66 -4.74 2.29 5.68 -1.17 -0.11 116.55 121.43 2dad n ASP 51 Ca -0.19 0.61 -0.23 0.00 -0.50 0.00 0.00 54.79 54.49 2dad n ASP 51 Cb 0.54 -0.77 -0.06 0.00 -1.14 0.00 0.00 41.12 39.69 2dad n ASP 51 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2dad s GLY 52 N -3.51 1.77 0.49 6.12 0.00 -1.09 -4.48 107.32 106.63 2dad s GLY 52 Ca 0.07 -1.70 -0.19 0.00 0.00 0.00 0.00 44.72 42.91 2dad s GLY 52 CO 0.48 -1.68 1.02 -0.54 0.00 0.00 0.00 173.10 172.37 2dad s GLU 53 N -3.82 3.83 -1.07 2.90 0.41 -1.26 -3.43 118.70 116.27 2dad s GLU 53 Ca 0.36 1.23 -0.06 0.00 -0.41 0.00 0.00 54.97 56.10 2dad s GLU 53 Cb -0.05 -2.11 0.01 0.00 -1.78 0.00 0.00 34.13 30.20 2dad s GLU 53 CO 0.23 -0.39 0.74 0.09 -0.49 0.00 0.00 175.26 175.44 2dad n ASN 54 N -1.14 -5.19 -3.87 -0.19 3.02 -1.26 -2.64 115.26 103.99 2dad n ASN 54 Ca 0.08 -0.34 -0.28 0.00 -0.03 0.00 0.00 54.58 54.01 2dad n ASN 54 Cb 0.53 -3.87 0.03 0.00 -0.61 0.00 0.00 39.78 35.86 2dad n ASN 54 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2dad n PHE 55 N -4.32 -2.21 -3.21 3.10 3.72 -1.25 -4.98 117.46 108.31 2dad n PHE 55 Ca -0.02 0.89 -0.20 0.00 -0.05 0.00 0.00 57.45 58.07 2dad n PHE 55 Cb 0.56 -4.06 0.02 0.00 -0.94 0.00 0.00 39.48 35.06 2dad n PHE 55 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2dad s THR 56 N -3.39 2.40 0.00 4.37 -4.23 -1.08 -5.00 115.64 108.70 2dad s THR 56 Ca 0.51 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 2dad s THR 56 Cb -0.26 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.07 2dad s THR 56 CO 0.83 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.52 2dad n GLY 57 N -1.97 0.19 3.81 3.99 0.00 -1.26 -2.67 105.19 107.28 2dad n GLY 57 Ca 0.10 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 2dad n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dad s ASN 58 N -4.00 6.97 0.01 1.61 0.01 -1.26 -4.93 114.94 113.36 2dad s ASN 58 Ca 0.00 1.75 0.08 0.00 -0.71 0.00 0.00 52.86 53.99 2dad s ASN 58 Cb 0.00 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 2dad s ASN 58 CO 0.00 -0.33 -0.25 0.00 -1.51 0.00 0.00 177.10 175.01 2dad s GLN 59 N -2.91 1.84 -0.12 -0.60 1.03 -1.26 -3.06 119.66 114.57 2dad s GLN 59 Ca 0.60 -0.97 -0.03 0.00 0.04 0.00 0.00 55.36 55.00 2dad s GLN 59 Cb -0.12 -1.89 0.04 0.00 0.03 0.00 0.00 33.01 31.07 2dad s GLN 59 CO 0.16 0.50 0.04 0.71 -2.54 0.00 0.00 175.29 174.16 2dad s TYR 60 N -0.69 0.58 0.65 9.60 1.51 -1.00 -4.95 117.35 123.06 2dad s TYR 60 Ca 0.10 -0.33 -0.09 0.00 -1.01 0.00 0.00 57.07 55.74 2dad s TYR 60 Cb -0.10 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.96 2dad s TYR 60 CO 0.01 -0.42 1.02 0.14 -1.11 0.00 0.00 175.55 175.18 2dad s VAL 61 N 2.00 3.72 -0.04 0.71 -7.23 -1.26 -1.03 120.40 117.28 2dad s VAL 61 Ca 0.03 0.36 -0.01 0.00 -1.81 0.00 0.00 61.98 60.54 2dad s VAL 61 Cb -0.14 -3.53 0.03 0.00 0.56 0.00 0.00 36.38 33.30 2dad s VAL 61 CO -0.06 -0.64 0.04 -0.76 -0.31 0.00 0.00 175.10 173.36 2dad s LEU 62 N -5.20 0.59 0.79 1.32 1.43 0.08 -4.92 118.68 112.76 2dad s LEU 62 Ca 0.56 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 2dad s LEU 62 Cb -0.11 -0.18 0.07 0.00 0.03 0.00 0.00 46.19 46.00 2dad s LEU 62 CO 0.50 -0.19 1.16 -1.61 0.23 0.00 0.00 176.35 176.43 2dad s GLU 63 N 1.70 2.14 -0.11 1.70 2.02 -1.26 -2.59 118.70 122.31 2dad s GLU 63 Ca -0.01 0.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.91 2dad s GLU 63 Cb -0.13 -1.96 -0.06 0.00 0.10 0.00 0.00 34.13 32.09 2dad s GLU 63 CO -0.03 -1.49 1.84 -2.00 0.02 0.00 0.00 175.26 173.60 2dad s GLU 64 N -5.50 3.86 0.00 1.61 2.12 -1.26 -4.56 118.70 114.96 2dad s GLU 64 Ca 0.61 2.13 0.00 0.00 0.36 0.00 0.00 54.97 58.07 2dad s GLU 64 Cb -0.11 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.15 2dad s GLU 64 CO 0.50 -1.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 2dad n GLY 65 N 4.71 2.95 3.57 -1.50 0.00 -1.10 -5.00 105.19 108.82 2dad n GLY 65 Ca 0.21 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 2dad n GLY 65 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2dad s HIS 66 N -2.00 3.00 -0.53 1.61 -3.43 -1.26 -3.15 115.29 109.53 2dad s HIS 66 Ca 0.00 0.46 -0.17 0.00 -0.80 0.00 0.00 55.06 54.55 2dad s HIS 66 Cb 0.00 -3.75 0.10 0.00 -1.43 0.00 0.00 32.58 27.49 2dad s HIS 66 CO 0.00 -0.96 0.54 0.71 -2.00 0.00 0.00 174.74 173.03 2dad s TYR 67 N 3.51 3.16 0.30 0.38 2.02 -0.78 -4.92 117.35 121.02 2dad s TYR 67 Ca 0.35 -1.02 0.08 0.00 -0.37 0.00 0.00 57.07 56.12 2dad s TYR 67 Cb -0.11 -3.66 0.46 0.00 -0.40 0.00 0.00 41.96 38.25 2dad s TYR 67 CO 0.22 -1.03 1.69 -1.00 -1.57 0.00 0.00 175.55 173.86 2dad h PRO 68 N 8.94 0.15 -5.00 -1.71 0.13 -1.91 -2.49 132.00 130.12 2dad h PRO 68 Ca -0.29 -0.08 -0.46 0.00 -0.87 0.00 0.00 66.00 64.30 2dad h PRO 68 Cb 1.10 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 2dad h PRO 68 CO 1.00 0.59 -0.56 0.00 -0.23 0.00 0.00 178.00 178.80 2dad h LEU 70 N 2.09 0.09 -0.77 0.00 3.38 -1.72 -3.33 115.31 115.05 2dad h LEU 70 Ca -0.36 -0.70 0.07 0.00 0.09 0.00 0.00 57.88 56.98 2dad h LEU 70 Cb 1.25 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.89 2dad h LEU 70 CO 0.58 0.77 -0.45 -0.24 0.09 0.00 0.00 178.44 179.19 2dad n SER 71 N -4.68 -0.81 -0.37 -0.43 2.88 -1.26 0.15 113.62 109.10 2dad n SER 71 Ca -0.09 1.51 0.28 0.00 -1.33 0.00 0.00 58.87 59.24 2dad n SER 71 Cb 0.39 -0.25 0.55 0.00 -0.75 0.00 0.00 64.21 64.15 2dad n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dad h ALA 72 N 0.25 2.33 0.00 -1.46 0.00 -1.94 1.17 119.26 119.61 2dad h ALA 72 Ca 0.12 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 2dad h ALA 72 Cb 0.32 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2dad h ALA 72 CO -0.72 -0.88 -0.73 0.52 0.00 0.00 0.00 179.25 177.44 2dad h MET 73 N 0.26 0.00 0.00 0.00 2.07 0.13 -3.47 114.93 113.92 2dad h MET 73 Ca 0.72 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.35 2dad h MET 73 Cb 1.94 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.67 2dad h MET 73 CO -0.44 0.73 0.00 0.41 1.07 0.00 0.00 176.91 178.68 2dad n GLY 74 N 0.63 0.99 3.92 8.32 0.00 0.40 -4.94 105.19 114.50 2dad n GLY 74 Ca -0.01 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2dad n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dad s PRO 76 N -2.85 1.32 -0.33 0.00 0.04 -1.26 -4.21 135.00 127.71 2dad s PRO 76 Ca 0.38 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 2dad s PRO 76 Cb -0.12 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 2dad s PRO 76 CO 0.27 -2.20 1.68 -1.25 0.04 0.00 0.00 177.00 175.54 2dad s PRO 77 N -4.93 3.47 0.00 0.56 0.04 -1.26 -3.07 135.00 129.80 2dad s PRO 77 Ca 0.63 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2dad s PRO 77 Cb -0.18 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2dad s PRO 77 CO 0.57 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 176.32 2dad n GLY 78 N 5.23 0.97 3.82 0.56 0.00 -1.26 -5.08 105.19 109.42 2dad n GLY 78 Ca 0.21 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2dad n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dad s ALA 79 N -2.37 3.61 -0.12 4.61 0.00 -1.18 -5.08 121.76 121.24 2dad s ALA 79 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.92 2dad s ALA 79 Cb 0.00 -2.56 0.02 0.00 0.00 0.00 0.00 23.12 20.58 2dad s ALA 79 CO 0.00 0.43 -0.12 0.99 0.00 0.00 0.00 175.76 177.06 2dad s THR 80 N -1.17 1.33 0.20 0.00 2.01 -1.26 -3.98 115.64 112.77 2dad s THR 80 Ca 0.29 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.50 2dad s THR 80 Cb -0.18 -1.27 -0.08 0.00 0.01 0.00 0.00 72.50 70.98 2dad s THR 80 CO 0.18 0.41 0.88 -0.36 -0.69 0.00 0.00 174.62 175.05 2dad s PHE 81 N 1.36 3.95 -0.02 4.92 0.08 -1.26 -4.24 117.98 122.75 2dad s PHE 81 Ca 0.00 1.81 0.02 0.00 0.12 0.00 0.00 56.93 58.88 2dad s PHE 81 Cb -0.14 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.38 2dad s PHE 81 CO -0.06 0.46 0.01 1.63 -0.10 0.00 0.00 175.22 177.15 2dad n LYS 82 N 1.64 3.60 -4.01 0.44 5.02 0.84 -4.71 118.16 120.99 2dad n LYS 82 Ca -0.03 -0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 2dad n LYS 82 Cb 0.48 -1.05 -0.11 0.00 -0.02 0.00 0.00 35.03 34.33 2dad n LYS 82 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2dad s SER 83 N -3.23 0.42 0.15 4.39 1.04 -1.12 -2.59 113.70 112.76 2dad s SER 83 Ca -0.01 -0.56 0.08 0.00 0.48 0.00 0.00 55.95 55.93 2dad s SER 83 Cb 0.01 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 2dad s SER 83 CO 0.08 -0.31 -0.17 -0.76 0.98 0.00 0.00 173.24 173.07 2dad s LEU 84 N -1.64 2.44 -0.25 2.42 1.43 0.10 -1.77 118.68 121.40 2dad s LEU 84 Ca -0.12 -0.86 -0.03 0.00 -1.03 0.00 0.00 54.13 52.09 2dad s LEU 84 Cb -0.08 -0.72 0.10 0.00 0.03 0.00 0.00 46.19 45.52 2dad s LEU 84 CO -0.01 -0.08 0.20 -0.60 0.23 0.00 0.00 176.35 176.08 2dad s ARG 85 N -2.82 0.21 -0.27 1.70 3.52 -0.66 -2.49 118.95 118.14 2dad s ARG 85 Ca 0.14 -0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 55.29 2dad s ARG 85 Cb -0.05 -1.11 -0.03 0.00 -1.56 0.00 0.00 34.95 32.21 2dad s ARG 85 CO 0.05 -0.88 1.79 0.12 -0.81 0.00 0.00 175.30 175.57 2dad s PHE 86 N 2.24 1.81 -0.59 5.12 5.36 -1.26 -2.22 117.98 128.44 2dad s PHE 86 Ca 0.08 0.55 -0.21 0.00 -0.96 0.00 0.00 56.93 56.38 2dad s PHE 86 Cb -0.15 -4.08 0.07 0.00 -0.34 0.00 0.00 43.02 38.52 2dad s PHE 86 CO -0.26 -3.16 0.81 0.42 -1.46 0.00 0.00 175.22 171.58 2dad s ILE 87 N 6.44 4.59 -0.31 3.12 1.01 0.78 -4.98 121.20 131.86 2dad s ILE 87 Ca 0.80 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 60.70 2dad s ILE 87 Cb -0.25 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 37.66 2dad s ILE 87 CO 0.33 -1.17 2.11 -0.55 0.00 0.00 0.00 174.94 175.66 2dad s SER 88 N 3.32 5.43 0.00 3.58 0.15 -1.26 -2.38 113.70 122.54 2dad s SER 88 Ca 0.19 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.38 2dad s SER 88 Cb -0.19 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2dad s SER 88 CO 0.11 -2.04 0.00 0.61 1.20 0.00 0.00 173.24 173.12 2dad n GLY 89 N 5.70 0.56 3.56 9.45 0.00 -1.26 -4.93 105.19 118.27 2dad n GLY 89 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 2dad n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dad s PRO 90 N 3.08 2.55 -0.13 1.61 0.04 -1.26 -4.78 135.00 136.12 2dad s PRO 90 Ca 0.00 -0.33 -0.15 0.00 0.04 0.00 0.00 61.00 60.55 2dad s PRO 90 Cb 0.00 -5.07 -0.13 0.00 0.04 0.00 0.00 34.50 29.33 2dad s PRO 90 CO 0.00 -3.41 0.37 1.03 0.04 0.00 0.00 177.00 175.03 2dad h SER 91 N 11.21 0.00 -5.82 6.66 0.87 -1.91 -3.47 113.55 121.08 2dad h SER 91 Ca 0.10 -0.50 -0.39 0.00 -1.23 0.00 0.00 61.79 59.77 2dad h SER 91 Cb 1.00 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 63.10 2dad h SER 91 CO 1.21 0.80 -0.70 -1.20 -0.53 0.00 0.00 176.83 176.40 2dad n SER 92 N -4.68 -5.38 0.00 6.23 7.64 -1.26 -4.77 113.62 111.40 2dad n SER 92 Ca -0.07 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.25 2dad n SER 92 Cb 0.27 -5.02 0.00 0.00 -1.01 0.00 0.00 64.21 58.46 2dad n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64