#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dad h SER 2 N 0.00 0.00 -3.68 1.61 0.87 -2.13 -3.47 113.55 106.75 2dad h SER 2 Ca 0.00 -0.16 -0.50 0.00 -1.23 0.00 0.00 61.79 59.89 2dad h SER 2 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2dad h SER 2 CO 0.00 0.95 0.23 -0.94 -0.53 0.00 0.00 176.83 176.54 2dad s SER 3 N -6.05 7.29 0.00 6.23 1.04 -1.26 -5.00 113.70 115.95 2dad s SER 3 Ca -0.18 1.66 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2dad s SER 3 Cb 0.03 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2dad s SER 3 CO 0.32 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2dad n GLY 4 N 0.96 2.24 3.84 7.32 0.00 -1.26 -5.15 105.19 113.13 2dad n GLY 4 Ca -0.02 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2dad n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dad s SER 5 N 0.00 6.83 0.62 1.61 0.01 -1.26 -4.94 113.70 116.56 2dad s SER 5 Ca 0.00 1.01 0.27 0.00 1.31 0.00 0.00 55.95 58.54 2dad s SER 5 Cb 0.00 -2.27 1.33 0.00 0.21 0.00 0.00 66.02 65.30 2dad s SER 5 CO 0.00 0.26 1.75 -1.28 0.41 0.00 0.00 173.24 174.38 2dad h SER 6 N 4.34 0.00 -5.23 2.44 0.87 -1.92 -3.41 113.55 110.63 2dad h SER 6 Ca -0.50 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 59.95 2dad h SER 6 Cb 1.21 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.03 2dad h SER 6 CO 0.63 0.00 -0.42 -0.83 -0.53 0.00 0.00 176.83 175.68 2dad s GLY 7 N -3.72 0.36 -0.25 5.77 0.00 -1.13 -4.41 107.32 103.94 2dad s GLY 7 Ca -0.03 -0.87 -0.16 0.00 0.00 0.00 0.00 44.72 43.66 2dad s GLY 7 CO 0.43 -0.94 0.61 1.62 0.00 0.00 0.00 173.10 174.82 2dad s GLN 8 N -3.92 0.64 -0.05 2.90 -0.44 0.42 -4.81 119.66 114.41 2dad s GLN 8 Ca 0.11 1.05 0.05 0.00 -2.50 0.00 0.00 55.36 54.08 2dad s GLN 8 Cb 0.05 0.15 -0.02 0.00 -1.64 0.00 0.00 33.01 31.55 2dad s GLN 8 CO -0.06 -0.14 -0.21 -1.50 0.50 0.00 0.00 175.29 173.88 2dad s ILE 9 N 1.30 2.45 -0.24 -2.34 2.07 -1.16 -2.02 121.20 121.26 2dad s ILE 9 Ca -0.08 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 58.23 2dad s ILE 9 Cb -0.06 -1.91 0.06 0.00 0.13 0.00 0.00 42.46 40.68 2dad s ILE 9 CO -0.14 0.58 -0.03 -2.28 -1.91 0.00 0.00 174.94 171.16 2dad s HIS 10 N -0.43 2.25 0.27 3.50 2.46 -0.12 -0.82 115.29 122.41 2dad s HIS 10 Ca 0.04 -1.71 -0.03 0.00 0.47 0.00 0.00 55.06 53.83 2dad s HIS 10 Cb -0.12 -1.59 -0.05 0.00 -0.13 0.00 0.00 32.58 30.70 2dad s HIS 10 CO 0.01 -0.77 0.51 -0.51 -2.47 0.00 0.00 174.74 171.52 2dad s LEU 11 N 1.44 4.09 -0.11 8.88 2.01 0.16 -0.61 118.68 134.55 2dad s LEU 11 Ca -0.03 0.60 -0.01 0.00 0.01 0.00 0.00 54.13 54.70 2dad s LEU 11 Cb -0.19 -3.41 0.03 0.00 0.01 0.00 0.00 46.19 42.63 2dad s LEU 11 CO -0.08 -0.17 -0.01 -0.36 1.01 0.00 0.00 176.35 176.75 2dad s PHE 12 N -2.06 0.95 0.27 0.29 0.40 -0.72 -0.52 117.98 116.60 2dad s PHE 12 Ca 0.42 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.28 2dad s PHE 12 Cb -0.11 -0.95 0.60 0.00 0.51 0.00 0.00 43.02 43.07 2dad s PHE 12 CO 0.30 -0.43 1.65 1.03 0.70 0.00 0.00 175.22 178.47 2dad h SER 13 N 8.27 -0.06 -2.47 1.36 0.87 0.50 -3.06 113.55 118.96 2dad h SER 13 Ca -0.21 0.18 -0.53 0.00 -1.23 0.00 0.00 61.79 60.01 2dad h SER 13 Cb 1.12 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 63.32 2dad h SER 13 CO 0.31 -0.13 -0.48 -1.61 -0.53 0.00 0.00 176.83 174.39 2dad s GLU 14 N -6.00 3.31 0.91 2.24 0.41 -1.00 -3.48 118.70 115.09 2dad s GLU 14 Ca -0.12 -0.72 -0.12 0.00 -0.41 0.00 0.00 54.97 53.60 2dad s GLU 14 Cb 0.24 -2.86 0.14 0.00 -1.78 0.00 0.00 34.13 29.87 2dad s GLU 14 CO 0.77 0.49 1.09 -1.25 -0.49 0.00 0.00 175.26 175.86 2dad s PRO 15 N -3.42 1.11 -1.43 0.39 0.04 -1.26 -3.10 135.00 127.33 2dad s PRO 15 Ca 0.34 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.11 2dad s PRO 15 Cb -0.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2dad s PRO 15 CO 0.27 -2.33 0.40 1.04 0.04 0.00 0.00 177.00 176.43 2dad n GLN 16 N -3.93 -3.59 -3.92 4.56 6.02 -0.01 -2.24 117.38 114.27 2dad n GLN 16 Ca 0.07 0.83 -0.30 0.00 -0.01 0.00 0.00 57.00 57.59 2dad n GLN 16 Cb 0.56 -5.44 0.02 0.00 1.02 0.00 0.00 30.24 26.40 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 -4.28 -2.19 -4.37 1.08 3.72 -1.25 -4.97 117.46 105.20 2dad n PHE 17 Ca -0.13 0.88 -0.30 0.00 -0.05 0.00 0.00 57.45 57.85 2dad n PHE 17 Cb 0.62 -3.92 -0.04 0.00 -0.94 0.00 0.00 39.48 35.20 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 -6.58 2.23 2.88 -1.08 -1.52 -0.95 -5.05 119.66 109.59 2dad s GLN 18 Ca 0.58 -2.25 0.00 0.00 -1.95 0.00 0.00 55.36 51.74 2dad s GLN 18 Cb -0.29 -1.78 0.00 0.00 -0.22 0.00 0.00 33.01 30.72 2dad s GLN 18 CO 0.84 -0.50 0.00 0.41 -0.25 0.00 0.00 175.29 175.79 2dad n GLY 19 N -1.51 0.69 3.66 3.09 0.00 -1.26 -2.37 105.19 107.49 2dad n GLY 19 Ca -0.12 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.12 1.31 -3.84 1.61 8.25 -1.26 -4.73 115.22 116.43 2dad n HIS 20 Ca 0.00 0.43 -0.12 0.00 -0.26 0.00 0.00 57.72 57.77 2dad n HIS 20 Cb 0.00 -2.20 -0.13 0.00 1.12 0.00 0.00 29.99 28.78 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 -1.23 -0.09 -0.01 0.41 1.04 -1.26 0.10 113.70 112.66 2dad s SER 21 Ca 0.77 0.17 0.01 0.00 0.48 0.00 0.00 55.95 57.38 2dad s SER 21 Cb -0.41 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 2dad s SER 21 CO 0.46 -0.08 -0.04 -1.10 0.98 0.00 0.00 173.24 173.46 2dad s GLN 22 N -0.13 0.32 0.01 4.02 -0.21 0.32 -4.99 119.66 119.01 2dad s GLN 22 Ca -0.02 -0.12 0.07 0.00 0.02 0.00 0.00 55.36 55.31 2dad s GLN 22 Cb -0.02 -0.32 -0.03 0.00 1.00 0.00 0.00 33.01 33.64 2dad s GLN 22 CO 0.00 0.07 -0.21 -1.54 -2.12 0.00 0.00 175.29 171.49 2dad s SER 23 N -0.00 3.55 -0.23 5.90 1.04 -1.26 0.39 113.70 123.08 2dad s SER 23 Ca 0.00 -0.41 -0.00 0.00 0.48 0.00 0.00 55.95 56.02 2dad s SER 23 Cb -0.03 -0.54 0.06 0.00 0.10 0.00 0.00 66.02 65.62 2dad s SER 23 CO -0.00 0.29 -0.02 -0.36 0.98 0.00 0.00 173.24 174.13 2dad s PHE 24 N -0.78 2.07 0.14 5.02 0.08 -0.00 -4.99 117.98 119.52 2dad s PHE 24 Ca 0.12 -1.58 -0.01 0.00 0.12 0.00 0.00 56.93 55.58 2dad s PHE 24 Cb -0.10 -1.49 -0.09 0.00 -0.57 0.00 0.00 43.02 40.76 2dad s PHE 24 CO 0.02 -0.75 1.31 0.93 -0.10 0.00 0.00 175.22 176.63 2dad h GLU 25 N 8.02 0.29 -5.78 0.44 5.08 -1.87 -3.06 114.58 117.70 2dad h GLU 25 Ca -0.17 -0.34 -0.59 0.00 -1.00 0.00 0.00 59.36 57.26 2dad h GLU 25 Cb 1.08 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.33 2dad h GLU 25 CO 0.40 1.06 -0.51 -1.21 -1.00 0.00 0.00 179.01 177.74 2dad s GLU 26 N -3.13 2.16 0.25 2.33 2.02 -1.26 -4.74 118.70 116.32 2dad s GLU 26 Ca -0.04 -1.97 -0.31 0.00 0.02 0.00 0.00 54.97 52.67 2dad s GLU 26 Cb 0.09 -1.86 -0.12 0.00 0.10 0.00 0.00 34.13 32.33 2dad s GLU 26 CO 0.85 -0.15 1.58 2.41 0.02 0.00 0.00 175.26 179.98 2dad n THR 27 N -1.20 0.69 -4.12 3.63 -1.04 -1.26 -4.85 114.28 106.13 2dad n THR 27 Ca -0.03 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.05 61.51 2dad n THR 27 Cb 0.65 -1.82 -0.07 0.00 -1.82 0.00 0.00 70.33 67.26 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 0.32 4.09 -0.07 12.58 2.01 -1.11 -4.99 115.64 128.47 2dad s THR 28 Ca 0.69 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 61.71 2dad s THR 28 Cb -0.55 -2.98 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 2dad s THR 28 CO 0.44 0.07 -0.00 -1.54 -0.69 0.00 0.00 174.62 172.90 2dad n SER 29 N 0.38 3.29 -3.72 3.53 3.41 -1.26 -1.30 113.62 117.94 2dad n SER 29 Ca -0.10 -0.01 -0.16 0.00 -0.26 0.00 0.00 58.87 58.34 2dad n SER 29 Cb 0.52 0.46 -0.16 0.00 -0.26 0.00 0.00 64.21 64.78 2dad n SER 29 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2dad s GLN 30 N -2.17 0.00 0.37 4.33 -0.21 -1.19 -3.55 119.66 117.24 2dad s GLN 30 Ca -0.06 0.35 -0.25 0.00 0.02 0.00 0.00 55.36 55.42 2dad s GLN 30 Cb 0.02 -0.29 -0.09 0.00 1.00 0.00 0.00 33.01 33.65 2dad s GLN 30 CO 0.26 -0.23 1.01 0.42 -2.12 0.00 0.00 175.29 174.64 2dad s ILE 31 N 1.55 3.92 -0.59 1.08 -1.09 -0.09 -4.90 121.20 121.08 2dad s ILE 31 Ca -0.04 1.52 -0.30 0.00 -2.23 0.00 0.00 60.65 59.60 2dad s ILE 31 Cb -0.12 -3.81 -0.12 0.00 -1.58 0.00 0.00 42.46 36.83 2dad s ILE 31 CO -0.04 0.05 2.43 0.47 -1.23 0.00 0.00 174.94 176.62 2dad n ASP 32 N 0.19 1.73 -2.70 3.58 9.92 -1.26 -0.70 116.55 127.31 2dad n ASP 32 Ca 0.04 -0.05 -0.18 0.00 -0.53 0.00 0.00 54.79 54.06 2dad n ASP 32 Cb 0.50 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 2dad n ASP 32 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2dad n ASP 33 N 12.70 -4.87 -4.26 -2.24 -0.08 -1.26 -1.47 116.55 115.06 2dad n ASP 33 Ca 0.46 -0.06 -0.37 0.00 -1.51 0.00 0.00 54.79 53.31 2dad n ASP 33 Cb 0.32 -4.05 -0.04 0.00 2.34 0.00 0.00 41.12 39.69 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2dad n SER 34 N -2.09 -3.02 -4.64 1.67 3.41 0.12 -4.77 113.62 104.31 2dad n SER 34 Ca -0.15 -1.03 -0.47 0.00 -0.26 0.00 0.00 58.87 56.96 2dad n SER 34 Cb 0.62 -2.49 -0.05 0.00 -0.26 0.00 0.00 64.21 62.03 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 -4.28 2.20 -0.90 7.33 1.16 -0.54 -4.86 117.46 117.56 2dad n PHE 35 Ca 0.09 -0.03 -0.34 0.00 -1.87 0.00 0.00 57.45 55.31 2dad n PHE 35 Cb 0.48 -2.67 0.11 0.00 -1.61 0.00 0.00 39.48 35.79 2dad n PHE 35 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2dad n SER 36 N 7.95 -1.89 -3.67 5.98 3.41 -1.26 -4.74 113.62 119.40 2dad n SER 36 Ca 0.26 0.38 -0.13 0.00 -0.26 0.00 0.00 58.87 59.13 2dad n SER 36 Cb 0.32 -1.21 -0.13 0.00 -0.26 0.00 0.00 64.21 62.93 2dad n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2dad s THR 37 N -2.29 -0.38 -0.16 6.66 2.01 -1.26 -4.06 115.64 116.17 2dad s THR 37 Ca 0.59 0.25 0.13 0.00 0.31 0.00 0.00 61.69 62.97 2dad s THR 37 Cb -0.24 -0.45 -0.23 0.00 0.01 0.00 0.00 72.50 71.58 2dad s THR 37 CO 0.65 0.11 0.22 0.29 -0.69 0.00 0.00 174.62 175.20 2dad n LYS 38 N 5.19 0.67 -4.33 4.92 5.02 -1.16 -4.79 118.16 123.69 2dad n LYS 38 Ca -0.09 0.12 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 2dad n LYS 38 Cb 0.50 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.79 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 -5.91 2.65 0.24 4.39 1.04 -1.23 -1.32 113.70 113.56 2dad s SER 39 Ca -0.13 -0.86 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 2dad s SER 39 Cb 0.07 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 2dad s SER 39 CO 0.79 -0.04 0.25 0.00 0.98 0.00 0.00 173.24 175.22 2dad s ARG 41 N -3.94 0.16 -0.10 0.00 3.52 0.22 -1.94 118.95 116.88 2dad s ARG 41 Ca 0.35 0.37 -0.06 0.00 -0.13 0.00 0.00 55.73 56.27 2dad s ARG 41 Cb 0.04 -0.83 -0.04 0.00 -1.56 0.00 0.00 34.95 32.57 2dad s ARG 41 CO 0.14 -0.53 0.12 0.08 -0.81 0.00 0.00 175.30 174.29 2dad s VAL 42 N 2.35 5.27 -0.29 7.11 1.01 -1.21 -0.94 120.40 133.70 2dad s VAL 42 Ca 0.05 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 2dad s VAL 42 Cb -0.14 -3.29 0.18 0.00 0.00 0.00 0.00 36.38 33.12 2dad s VAL 42 CO -0.11 0.60 0.54 -0.44 0.00 0.00 0.00 175.10 175.69 2dad s SER 43 N -1.07 -0.97 0.00 3.32 0.01 -0.86 -3.27 113.70 110.86 2dad s SER 43 Ca 0.16 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2dad s SER 43 Cb -0.12 1.88 0.00 0.00 0.21 0.00 0.00 66.02 67.99 2dad s SER 43 CO 0.05 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2dad n GLY 44 N 5.41 0.84 0.00 3.44 0.00 -1.26 -0.43 105.19 113.19 2dad n GLY 44 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.60 2.29 3.91 -0.02 0.00 -1.26 -2.85 105.19 106.66 2dad n GLY 45 Ca 0.00 -1.98 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 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 5.42 -0.02 1.61 0.01 -1.03 -4.60 113.70 115.08 2dad s SER 46 Ca 0.00 0.79 -0.01 0.00 1.31 0.00 0.00 55.95 58.04 2dad s SER 46 Cb 0.00 -1.67 0.02 0.00 0.21 0.00 0.00 66.02 64.58 2dad s SER 46 CO 0.00 -1.23 0.04 0.26 0.41 0.00 0.00 173.24 172.71 2dad s TRP 47 N -3.14 -0.01 -0.13 2.43 0.52 -1.03 0.47 118.94 118.05 2dad s TRP 47 Ca 0.56 0.12 -0.09 0.00 0.02 0.00 0.00 56.10 56.72 2dad s TRP 47 Cb -0.11 -0.10 -0.04 0.00 -1.15 0.00 0.00 33.47 32.06 2dad s TRP 47 CO 0.47 -0.06 0.17 0.08 0.02 0.00 0.00 176.95 177.63 2dad s VAL 48 N 0.56 5.44 -0.20 4.03 1.01 -0.50 -0.33 120.40 130.40 2dad s VAL 48 Ca -0.05 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2dad s VAL 48 Cb -0.07 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.91 2dad s VAL 48 CO -0.02 0.57 -0.09 0.68 0.00 0.00 0.00 175.10 176.25 2dad s VAL 49 N -0.68 1.54 -0.07 2.92 -7.23 -0.17 -1.60 120.40 115.11 2dad s VAL 49 Ca 0.14 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.27 2dad s VAL 49 Cb -0.12 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2dad s VAL 49 CO 0.04 0.11 0.14 -0.31 -0.31 0.00 0.00 175.10 174.77 2dad s TYR 50 N 1.43 3.54 -0.75 2.82 1.51 -0.90 -2.07 117.35 122.92 2dad s TYR 50 Ca -0.02 0.43 0.25 0.00 -1.01 0.00 0.00 57.07 56.72 2dad s TYR 50 Cb -0.17 -1.88 0.92 0.00 -0.11 0.00 0.00 41.96 40.72 2dad s TYR 50 CO -0.08 0.68 1.77 -0.40 -1.11 0.00 0.00 175.55 176.41 2dad n ASP 51 N 1.56 0.56 -4.73 2.29 5.75 -1.20 -0.25 116.55 120.53 2dad n ASP 51 Ca -0.16 0.57 -0.23 0.00 -0.01 0.00 0.00 54.79 54.96 2dad n ASP 51 Cb 0.54 -0.72 -0.06 0.00 -1.03 0.00 0.00 41.12 39.85 2dad n ASP 51 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2dad s GLY 52 N -3.41 1.83 0.51 6.12 0.00 -0.80 -4.44 107.32 107.12 2dad s GLY 52 Ca 0.10 -1.74 -0.17 0.00 0.00 0.00 0.00 44.72 42.90 2dad s GLY 52 CO 0.52 -1.71 0.99 -0.54 0.00 0.00 0.00 173.10 172.35 2dad s GLU 53 N -3.82 3.94 -1.31 2.90 2.02 -1.26 -3.48 118.70 117.69 2dad s GLU 53 Ca 0.36 1.01 -0.05 0.00 0.02 0.00 0.00 54.97 56.31 2dad s GLU 53 Cb -0.04 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 32.06 2dad s GLU 53 CO 0.23 -0.28 0.64 0.09 0.02 0.00 0.00 175.26 175.96 2dad n ASN 54 N -1.45 -5.59 -3.63 -0.19 5.03 -1.23 -2.55 115.26 105.65 2dad n ASN 54 Ca 0.07 -0.30 -0.21 0.00 0.87 0.00 0.00 54.58 55.01 2dad n ASN 54 Cb 0.54 -4.37 0.06 0.00 -1.02 0.00 0.00 39.78 34.98 2dad n ASN 54 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2dad n PHE 55 N -4.42 -2.18 -4.16 3.10 3.72 -1.25 -5.00 117.46 107.28 2dad n PHE 55 Ca -0.07 0.90 -0.23 0.00 -0.05 0.00 0.00 57.45 58.00 2dad n PHE 55 Cb 0.59 -4.64 -0.05 0.00 -0.94 0.00 0.00 39.48 34.44 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 -3.48 4.21 0.00 4.37 -4.23 -1.06 -5.01 115.64 110.44 2dad s THR 56 Ca 0.17 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 2dad s THR 56 Cb -0.08 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2dad s THR 56 CO 0.78 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 2dad n GLY 57 N -1.02 -0.67 3.82 3.99 0.00 -1.26 -1.91 105.19 108.14 2dad n GLY 57 Ca -0.08 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 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 6.39 -0.03 1.61 0.01 -1.26 -4.93 114.94 112.73 2dad s ASN 58 Ca 0.00 1.71 0.05 0.00 -0.71 0.00 0.00 52.86 53.91 2dad s ASN 58 Cb 0.00 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 2dad s ASN 58 CO 0.00 -0.75 -0.18 0.00 -1.51 0.00 0.00 177.10 174.66 2dad s GLN 59 N -3.81 1.74 -0.17 -0.60 -2.07 -1.26 -3.25 119.66 110.23 2dad s GLN 59 Ca 0.62 -0.65 -0.01 0.00 -1.82 0.00 0.00 55.36 53.50 2dad s GLN 59 Cb -0.12 -1.56 0.05 0.00 -1.09 0.00 0.00 33.01 30.28 2dad s GLN 59 CO 0.28 0.31 -0.04 0.71 -1.32 0.00 0.00 175.29 175.23 2dad s TYR 60 N -0.14 1.64 0.75 9.60 1.51 -0.88 -4.92 117.35 124.91 2dad s TYR 60 Ca -0.00 -1.09 -0.12 0.00 -1.01 0.00 0.00 57.07 54.86 2dad s TYR 60 Cb -0.10 -1.28 0.04 0.00 -0.11 0.00 0.00 41.96 40.51 2dad s TYR 60 CO 0.01 -0.62 1.10 0.14 -1.11 0.00 0.00 175.55 175.08 2dad s VAL 61 N 1.65 3.21 -0.04 0.71 -7.23 -1.26 -1.00 120.40 116.45 2dad s VAL 61 Ca -0.00 0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 60.55 2dad s VAL 61 Cb -0.16 -3.29 0.03 0.00 0.56 0.00 0.00 36.38 33.52 2dad s VAL 61 CO -0.07 -0.51 0.03 -0.76 -0.31 0.00 0.00 175.10 173.48 2dad s LEU 62 N -5.54 0.56 0.65 1.32 1.43 0.55 -4.92 118.68 112.73 2dad s LEU 62 Ca 0.59 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.62 2dad s LEU 62 Cb -0.12 -0.21 -0.00 0.00 0.03 0.00 0.00 46.19 45.89 2dad s LEU 62 CO 0.52 -0.19 1.02 -1.61 0.23 0.00 0.00 176.35 176.32 2dad s GLU 63 N 1.76 3.09 -0.20 1.70 2.02 -1.26 -2.45 118.70 123.36 2dad s GLU 63 Ca 0.00 0.42 -0.28 0.00 0.02 0.00 0.00 54.97 55.13 2dad s GLU 63 Cb -0.12 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 2dad s GLU 63 CO -0.03 -0.81 2.12 -2.00 0.02 0.00 0.00 175.26 174.56 2dad s GLU 64 N -5.20 3.30 0.00 1.61 2.12 -1.26 -4.60 118.70 114.67 2dad s GLU 64 Ca 0.56 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.91 2dad s GLU 64 Cb -0.11 -4.32 0.00 0.00 0.26 0.00 0.00 34.13 29.96 2dad s GLU 64 CO 0.50 -1.91 0.00 0.41 -0.54 0.00 0.00 175.26 173.72 2dad n GLY 65 N 5.54 2.06 3.59 -1.50 0.00 -1.20 -5.01 105.19 108.66 2dad n GLY 65 Ca 0.27 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 2.90 -0.52 1.61 -3.43 -1.26 -3.28 115.29 109.31 2dad s HIS 66 Ca 0.00 0.62 -0.17 0.00 -0.80 0.00 0.00 55.06 54.71 2dad s HIS 66 Cb 0.00 -4.15 0.09 0.00 -1.43 0.00 0.00 32.58 27.09 2dad s HIS 66 CO 0.00 -1.14 0.54 0.71 -2.00 0.00 0.00 174.74 172.85 2dad s TYR 67 N 4.05 3.14 0.27 0.38 2.02 -0.82 -4.92 117.35 121.48 2dad s TYR 67 Ca 0.43 -0.91 0.04 0.00 -0.37 0.00 0.00 57.07 56.26 2dad s TYR 67 Cb -0.09 -3.57 0.36 0.00 -0.40 0.00 0.00 41.96 38.26 2dad s TYR 67 CO 0.28 -1.01 1.65 -1.00 -1.57 0.00 0.00 175.55 173.89 2dad h PRO 68 N 8.93 0.31 -4.86 -1.71 0.13 -1.92 -2.48 132.00 130.40 2dad h PRO 68 Ca -0.29 -0.16 -0.44 0.00 -0.87 0.00 0.00 66.00 64.24 2dad h PRO 68 Cb 1.10 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.10 2dad h PRO 68 CO 0.98 0.70 -0.51 0.00 -0.23 0.00 0.00 178.00 178.94 2dad h LEU 70 N 2.19 0.20 -0.88 0.00 3.38 -1.53 -3.29 115.31 115.39 2dad h LEU 70 Ca -0.27 -0.60 0.09 0.00 0.09 0.00 0.00 57.88 57.18 2dad h LEU 70 Cb 1.24 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 2dad h LEU 70 CO 0.41 0.77 -0.49 -0.24 0.09 0.00 0.00 178.44 178.98 2dad n SER 71 N -4.63 -0.87 -0.31 -0.43 2.88 -1.26 0.18 113.62 109.18 2dad n SER 71 Ca -0.08 1.55 0.15 0.00 -1.33 0.00 0.00 58.87 59.17 2dad n SER 71 Cb 0.38 -0.23 0.40 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.57 1.90 0.00 -1.46 0.00 -1.93 0.22 119.26 118.56 2dad h ALA 72 Ca 0.17 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 2dad h ALA 72 Cb 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2dad h ALA 72 CO -0.83 -0.23 -0.71 0.52 0.00 0.00 0.00 179.25 178.00 2dad h MET 73 N 0.63 0.00 0.00 0.00 2.07 0.17 -3.48 114.93 114.32 2dad h MET 73 Ca 0.53 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.16 2dad h MET 73 Cb 1.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.73 2dad h MET 73 CO -0.29 0.71 0.00 0.41 1.07 0.00 0.00 176.91 178.81 2dad n GLY 74 N 0.55 2.15 3.52 8.32 0.00 0.14 -4.99 105.19 114.89 2dad n GLY 74 Ca -0.01 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.71 2.08 -0.90 0.00 0.04 -1.26 -4.16 135.00 128.09 2dad s PRO 76 Ca 0.70 1.11 -0.25 0.00 0.04 0.00 0.00 61.00 62.60 2dad s PRO 76 Cb -0.38 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2dad s PRO 76 CO 0.54 -1.75 1.94 -1.25 0.04 0.00 0.00 177.00 176.52 2dad s PRO 77 N -4.91 2.56 0.00 0.56 0.04 -1.26 -3.13 135.00 128.86 2dad s PRO 77 Ca 0.62 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2dad s PRO 77 Cb -0.17 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.31 2dad s PRO 77 CO 0.56 -3.37 0.00 0.41 0.04 0.00 0.00 177.00 174.65 2dad n GLY 78 N 6.85 0.97 3.90 0.56 0.00 -1.26 -5.14 105.19 111.06 2dad n GLY 78 Ca 0.40 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.30 3.89 -0.23 4.61 0.00 -1.18 -5.09 121.76 122.45 2dad s ALA 79 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 2dad s ALA 79 Cb 0.00 -1.99 0.07 0.00 0.00 0.00 0.00 23.12 21.20 2dad s ALA 79 CO 0.00 0.73 0.01 0.99 0.00 0.00 0.00 175.76 177.49 2dad s THR 80 N -1.52 1.01 0.23 0.00 2.01 -1.26 -4.07 115.64 112.04 2dad s THR 80 Ca 0.36 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 2dad s THR 80 Cb -0.13 -1.47 -0.09 0.00 0.01 0.00 0.00 72.50 70.82 2dad s THR 80 CO 0.24 -0.26 1.22 -0.36 -0.69 0.00 0.00 174.62 174.78 2dad s PHE 81 N 1.62 3.36 -0.05 4.92 0.08 -1.26 -4.41 117.98 122.23 2dad s PHE 81 Ca -0.01 1.43 0.04 0.00 0.12 0.00 0.00 56.93 58.51 2dad s PHE 81 Cb -0.18 -3.48 -0.06 0.00 -0.57 0.00 0.00 43.02 38.73 2dad s PHE 81 CO -0.10 -1.33 0.02 1.63 -0.10 0.00 0.00 175.22 175.33 2dad n LYS 82 N 2.03 3.10 -4.10 0.44 5.02 0.66 -4.67 118.16 120.63 2dad n LYS 82 Ca 0.03 -0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 2dad n LYS 82 Cb 0.44 -1.13 -0.11 0.00 -0.02 0.00 0.00 35.03 34.21 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 -3.65 0.96 0.15 4.39 1.04 -1.17 -0.91 113.70 114.51 2dad s SER 83 Ca -0.03 -0.72 0.06 0.00 0.48 0.00 0.00 55.95 55.74 2dad s SER 83 Cb 0.02 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 2dad s SER 83 CO 0.21 -0.30 -0.14 -0.76 0.98 0.00 0.00 173.24 173.22 2dad s LEU 84 N -2.13 2.45 -0.27 2.42 1.43 -0.42 -2.13 118.68 120.04 2dad s LEU 84 Ca -0.02 -0.88 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 2dad s LEU 84 Cb -0.04 -0.57 0.12 0.00 0.03 0.00 0.00 46.19 45.73 2dad s LEU 84 CO -0.02 -0.17 0.26 -0.60 0.23 0.00 0.00 176.35 176.06 2dad s ARG 85 N -3.02 0.28 -0.29 1.70 3.52 -0.63 -2.75 118.95 117.75 2dad s ARG 85 Ca 0.13 -0.09 -0.28 0.00 -0.13 0.00 0.00 55.73 55.35 2dad s ARG 85 Cb -0.03 -0.84 -0.03 0.00 -1.56 0.00 0.00 34.95 32.49 2dad s ARG 85 CO 0.04 -0.93 1.86 0.12 -0.81 0.00 0.00 175.30 175.57 2dad s PHE 86 N 2.32 1.71 -0.64 5.12 5.36 -1.26 -1.41 117.98 129.18 2dad s PHE 86 Ca 0.09 0.58 -0.24 0.00 -0.96 0.00 0.00 56.93 56.40 2dad s PHE 86 Cb -0.15 -4.09 0.05 0.00 -0.34 0.00 0.00 43.02 38.50 2dad s PHE 86 CO -0.28 -3.20 1.04 0.42 -1.46 0.00 0.00 175.22 171.74 2dad s ILE 87 N 6.95 4.19 -0.40 3.12 1.01 0.18 -4.97 121.20 131.28 2dad s ILE 87 Ca 0.83 0.07 -0.27 0.00 0.00 0.00 0.00 60.65 61.28 2dad s ILE 87 Cb -0.25 -4.70 -0.05 0.00 0.01 0.00 0.00 42.46 37.48 2dad s ILE 87 CO 0.34 -1.44 2.16 -0.94 0.00 0.00 0.00 174.94 175.06 2dad s SER 88 N 3.41 5.13 0.00 3.58 1.04 -1.26 -2.47 113.70 123.12 2dad s SER 88 Ca 0.29 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.97 2dad s SER 88 Cb -0.13 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2dad s SER 88 CO 0.15 -2.32 0.00 0.61 0.98 0.00 0.00 173.24 172.66 2dad n GLY 89 N 5.78 1.04 3.55 7.32 0.00 -1.26 -4.99 105.19 116.63 2dad n GLY 89 Ca 0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 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 2.40 2.64 0.52 1.61 0.04 -1.26 -4.97 135.00 135.98 2dad s PRO 90 Ca 0.00 0.63 0.08 0.00 0.04 0.00 0.00 61.00 61.75 2dad s PRO 90 Cb 0.00 -4.38 0.04 0.00 0.04 0.00 0.00 34.50 30.20 2dad s PRO 90 CO 0.00 -2.71 0.54 -1.54 0.04 0.00 0.00 177.00 173.33 2dad s SER 91 N 8.06 4.94 -0.10 6.66 1.04 -1.26 -4.68 113.70 128.36 2dad s SER 91 Ca 0.68 -0.96 -0.30 0.00 0.48 0.00 0.00 55.95 55.85 2dad s SER 91 Cb -0.13 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 2dad s SER 91 CO 0.21 -1.08 1.14 -0.55 0.98 0.00 0.00 173.24 173.95 2dad s SER 92 N -4.39 7.09 0.00 7.02 0.15 -1.26 -5.21 113.70 117.10 2dad s SER 92 Ca 0.48 1.68 0.28 0.00 0.70 0.00 0.00 55.95 59.09 2dad s SER 92 Cb -0.04 -2.55 1.68 0.00 -1.71 0.00 0.00 66.02 63.40 2dad s SER 92 CO 0.29 -0.58 2.03 0.61 1.20 0.00 0.00 173.24 176.79