#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dad n SER 2 N 0.00 -4.43 -4.41 1.61 2.88 -1.26 -4.98 113.62 103.02 2dad n SER 2 Ca 0.00 -0.73 -0.21 0.00 -1.33 0.00 0.00 58.87 56.61 2dad n SER 2 Cb 0.00 -4.22 -0.10 0.00 -0.75 0.00 0.00 64.21 59.14 2dad n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dad s SER 3 N -3.53 2.13 0.09 -3.46 0.01 -1.26 -5.07 113.70 102.61 2dad s SER 3 Ca 0.51 -1.39 -0.15 0.00 1.31 0.00 0.00 55.95 56.23 2dad s SER 3 Cb -0.25 -0.01 -0.13 0.00 0.21 0.00 0.00 66.02 65.85 2dad s SER 3 CO 0.80 -0.65 1.34 1.23 0.41 0.00 0.00 173.24 176.38 2dad h GLY 4 N 2.16 0.75 0.30 3.44 0.00 -1.93 -3.34 103.07 104.45 2dad h GLY 4 Ca -0.40 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 46.02 2dad h GLY 4 CO 0.67 0.81 -0.03 1.76 0.00 0.00 0.00 176.54 179.75 2dad h SER 5 N 0.39 -0.07 -4.05 0.19 0.02 -1.96 -3.37 113.55 104.69 2dad h SER 5 Ca 0.00 -0.55 -0.51 0.00 -0.84 0.00 0.00 61.79 59.89 2dad h SER 5 Cb 1.06 0.02 0.08 0.00 0.14 0.00 0.00 62.40 63.71 2dad h SER 5 CO 0.10 0.57 0.48 -0.44 -1.14 0.00 0.00 176.83 176.40 2dad s SER 6 N -5.74 5.72 0.05 3.07 0.01 -1.25 -4.80 113.70 110.76 2dad s SER 6 Ca -0.15 2.33 -0.18 0.00 1.31 0.00 0.00 55.95 59.27 2dad s SER 6 Cb -0.00 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.57 2dad s SER 6 CO 0.58 -1.23 0.52 -0.83 0.41 0.00 0.00 173.24 172.68 2dad s GLY 7 N -1.49 2.61 -0.21 3.44 0.00 -1.17 -4.06 107.32 106.44 2dad s GLY 7 Ca 0.70 -0.05 -0.13 0.00 0.00 0.00 0.00 44.72 45.24 2dad s GLY 7 CO 0.33 0.36 0.52 1.62 0.00 0.00 0.00 173.10 175.93 2dad s GLN 8 N -1.09 0.53 -0.07 2.90 -0.44 0.21 -4.74 119.66 116.96 2dad s GLN 8 Ca 0.27 0.90 0.03 0.00 -2.50 0.00 0.00 55.36 54.06 2dad s GLN 8 Cb -0.19 0.10 -0.02 0.00 -1.64 0.00 0.00 33.01 31.26 2dad s GLN 8 CO 0.17 -0.14 -0.14 -1.50 0.50 0.00 0.00 175.29 174.18 2dad s ILE 9 N 1.21 3.04 -0.20 -2.34 2.07 -1.17 -0.74 121.20 123.07 2dad s ILE 9 Ca -0.07 -0.71 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 2dad s ILE 9 Cb -0.06 -2.21 0.05 0.00 0.13 0.00 0.00 42.46 40.36 2dad s ILE 9 CO -0.12 0.57 -0.07 -2.28 -1.91 0.00 0.00 174.94 171.13 2dad s HIS 10 N -0.40 2.24 0.13 3.50 2.46 0.17 -0.67 115.29 122.72 2dad s HIS 10 Ca 0.05 -1.53 -0.03 0.00 0.47 0.00 0.00 55.06 54.02 2dad s HIS 10 Cb -0.12 -1.54 -0.05 0.00 -0.13 0.00 0.00 32.58 30.74 2dad s HIS 10 CO 0.02 -0.73 0.34 -0.51 -2.47 0.00 0.00 174.74 171.39 2dad s LEU 11 N 1.45 4.28 -0.10 8.88 2.01 0.12 0.16 118.68 135.48 2dad s LEU 11 Ca -0.02 0.46 -0.01 0.00 0.01 0.00 0.00 54.13 54.57 2dad s LEU 11 Cb -0.17 -3.19 0.03 0.00 0.01 0.00 0.00 46.19 42.87 2dad s LEU 11 CO -0.07 0.06 -0.01 -0.36 1.01 0.00 0.00 176.35 176.98 2dad s PHE 12 N -1.67 0.86 0.25 0.29 0.40 0.95 -0.10 117.98 118.95 2dad s PHE 12 Ca 0.39 -0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 56.31 2dad s PHE 12 Cb -0.12 -0.91 0.48 0.00 0.51 0.00 0.00 43.02 42.98 2dad s PHE 12 CO 0.26 -0.40 1.72 1.03 0.70 0.00 0.00 175.22 178.53 2dad h SER 13 N 8.29 0.23 -2.73 1.36 0.87 -0.72 -2.10 113.55 118.75 2dad h SER 13 Ca -0.21 0.12 -0.53 0.00 -1.23 0.00 0.00 61.79 59.95 2dad h SER 13 Cb 1.12 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 2dad h SER 13 CO 0.30 0.07 -0.36 -1.61 -0.53 0.00 0.00 176.83 174.69 2dad s GLU 14 N -6.01 3.49 0.84 2.24 0.41 -1.11 -2.71 118.70 115.85 2dad s GLU 14 Ca -0.12 -0.43 -0.11 0.00 -0.41 0.00 0.00 54.97 53.90 2dad s GLU 14 Cb 0.21 -2.86 0.09 0.00 -1.78 0.00 0.00 34.13 29.80 2dad s GLU 14 CO 0.76 0.41 1.09 -1.25 -0.49 0.00 0.00 175.26 175.78 2dad s PRO 15 N -3.43 1.74 -1.38 0.39 0.04 -1.26 -3.10 135.00 128.00 2dad s PRO 15 Ca 0.37 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 2dad s PRO 15 Cb -0.11 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2dad s PRO 15 CO 0.29 -1.95 0.35 1.04 0.04 0.00 0.00 177.00 176.77 2dad n GLN 16 N -3.71 -3.25 -3.86 4.56 3.00 0.02 -2.45 117.38 111.68 2dad n GLN 16 Ca 0.08 0.80 -0.27 0.00 -0.01 0.00 0.00 57.00 57.60 2dad n GLN 16 Cb 0.54 -5.34 0.02 0.00 0.00 0.00 0.00 30.24 25.46 2dad n GLN 16 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2dad n PHE 17 N -4.22 -2.04 -4.25 1.08 3.72 -1.25 -4.98 117.46 105.52 2dad n PHE 17 Ca -0.13 0.86 -0.29 0.00 -0.05 0.00 0.00 57.45 57.83 2dad n PHE 17 Cb 0.62 -4.03 -0.03 0.00 -0.94 0.00 0.00 39.48 35.10 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 -6.40 2.23 3.54 -1.08 -0.21 -1.03 -5.05 119.66 111.67 2dad s GLN 18 Ca 0.34 -2.20 0.00 0.00 0.02 0.00 0.00 55.36 53.52 2dad s GLN 18 Cb -0.17 -1.86 0.00 0.00 1.00 0.00 0.00 33.01 31.98 2dad s GLN 18 CO 0.84 -0.54 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 2dad n GLY 19 N -1.58 0.94 3.77 3.09 0.00 -1.26 -2.77 105.19 107.38 2dad n GLY 19 Ca -0.09 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2dad n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dad s HIS 20 N 0.00 2.95 0.04 1.61 3.76 -1.26 -4.84 115.29 117.55 2dad s HIS 20 Ca 0.00 1.30 0.03 0.00 -0.15 0.00 0.00 55.06 56.23 2dad s HIS 20 Cb 0.00 -3.77 -0.02 0.00 1.11 0.00 0.00 32.58 29.90 2dad s HIS 20 CO 0.00 -2.22 -0.08 -1.54 -0.85 0.00 0.00 174.74 170.05 2dad s SER 21 N -0.27 0.93 0.07 1.40 1.04 -1.26 -0.25 113.70 115.36 2dad s SER 21 Ca 0.51 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.48 2dad s SER 21 Cb -0.41 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 2dad s SER 21 CO 0.53 -0.13 -0.05 -1.10 0.98 0.00 0.00 173.24 173.47 2dad s GLN 22 N -1.32 0.68 -0.01 4.02 -0.21 0.85 -4.98 119.66 118.69 2dad s GLN 22 Ca -0.07 -1.17 0.01 0.00 0.02 0.00 0.00 55.36 54.16 2dad s GLN 22 Cb -0.09 -0.04 -0.00 0.00 1.00 0.00 0.00 33.01 33.88 2dad s GLN 22 CO 0.01 -0.05 -0.05 -1.54 -2.12 0.00 0.00 175.29 171.54 2dad s SER 23 N -2.71 0.57 -0.29 5.90 1.04 -1.26 0.12 113.70 117.07 2dad s SER 23 Ca 0.05 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.41 2dad s SER 23 Cb 0.03 -0.08 0.09 0.00 0.10 0.00 0.00 66.02 66.16 2dad s SER 23 CO -0.06 0.05 0.04 -0.36 0.98 0.00 0.00 173.24 173.89 2dad s PHE 24 N -0.06 2.36 0.24 5.02 0.40 0.16 -4.98 117.98 121.11 2dad s PHE 24 Ca 0.01 -1.98 0.01 0.00 -0.60 0.00 0.00 56.93 54.36 2dad s PHE 24 Cb -0.02 -1.91 0.28 0.00 0.51 0.00 0.00 43.02 41.87 2dad s PHE 24 CO -0.00 -0.85 1.63 0.93 0.70 0.00 0.00 175.22 177.63 2dad h GLU 25 N 7.95 0.49 -5.76 0.44 5.08 -1.85 -3.09 114.58 117.84 2dad h GLU 25 Ca -0.13 -0.24 -0.60 0.00 -1.00 0.00 0.00 59.36 57.40 2dad h GLU 25 Cb 1.04 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.19 2dad h GLU 25 CO 0.46 0.80 -0.50 -1.83 -1.00 0.00 0.00 179.01 176.94 2dad s GLU 26 N -4.25 2.18 0.49 2.33 -1.05 -1.26 -4.68 118.70 112.46 2dad s GLU 26 Ca -0.07 -1.99 -0.23 0.00 -0.15 0.00 0.00 54.97 52.53 2dad s GLU 26 Cb 0.13 -1.87 -0.07 0.00 -0.44 0.00 0.00 34.13 31.87 2dad s GLU 26 CO 0.81 -0.20 1.18 2.41 0.95 0.00 0.00 175.26 180.41 2dad n THR 27 N -1.25 3.12 -4.38 1.83 -1.04 -1.26 -4.85 114.28 106.45 2dad n THR 27 Ca -0.04 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.05 61.24 2dad n THR 27 Cb 0.65 -1.43 -0.13 0.00 -1.82 0.00 0.00 70.33 67.60 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 -1.31 1.52 -0.09 12.58 2.01 -1.12 -4.99 115.64 124.23 2dad s THR 28 Ca 0.67 -1.33 0.07 0.00 0.31 0.00 0.00 61.69 61.41 2dad s THR 28 Cb -0.47 -1.37 -0.11 0.00 0.01 0.00 0.00 72.50 70.56 2dad s THR 28 CO 0.53 -0.00 0.01 -1.54 -0.69 0.00 0.00 174.62 172.93 2dad n SER 29 N 1.45 2.83 -4.01 3.53 3.41 -1.26 0.06 113.62 119.63 2dad n SER 29 Ca -0.19 -0.01 -0.18 0.00 -0.26 0.00 0.00 58.87 58.23 2dad n SER 29 Cb 0.54 0.58 -0.15 0.00 -0.26 0.00 0.00 64.21 64.92 2dad n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2dad s GLN 30 N -2.22 0.71 0.08 4.33 0.74 -1.16 -3.83 119.66 118.32 2dad s GLN 30 Ca -0.06 -0.30 -0.07 0.00 0.05 0.00 0.00 55.36 54.97 2dad s GLN 30 Cb 0.03 -0.69 -0.05 0.00 1.10 0.00 0.00 33.01 33.40 2dad s GLN 30 CO 0.35 0.18 0.35 0.42 -0.55 0.00 0.00 175.29 176.04 2dad s ILE 31 N -0.17 5.18 -0.50 -2.34 -1.09 -0.49 -4.92 121.20 116.87 2dad s ILE 31 Ca 0.03 0.21 -0.31 0.00 -2.23 0.00 0.00 60.65 58.35 2dad s ILE 31 Cb -0.04 -3.62 -0.12 0.00 -1.58 0.00 0.00 42.46 37.11 2dad s ILE 31 CO -0.00 0.22 2.35 0.47 -1.23 0.00 0.00 174.94 176.75 2dad n ASP 32 N 0.68 1.91 -2.75 3.58 9.92 -1.26 -0.83 116.55 127.80 2dad n ASP 32 Ca -0.07 0.09 -0.16 0.00 -0.53 0.00 0.00 54.79 54.12 2dad n ASP 32 Cb 0.52 -1.31 -0.00 0.00 -0.64 0.00 0.00 41.12 39.69 2dad n ASP 32 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2dad n ASP 33 N 11.82 -4.10 -3.74 -2.24 5.68 -1.26 -0.94 116.55 121.78 2dad n ASP 33 Ca 0.44 -0.02 -0.28 0.00 -0.50 0.00 0.00 54.79 54.43 2dad n ASP 33 Cb 0.30 -3.43 -0.02 0.00 -1.14 0.00 0.00 41.12 36.82 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2dad n SER 34 N -2.01 -2.94 -4.65 -1.12 3.41 -0.01 -4.79 113.62 101.52 2dad n SER 34 Ca -0.11 -0.63 -0.45 0.00 -0.26 0.00 0.00 58.87 57.43 2dad n SER 34 Cb 0.59 -2.46 -0.04 0.00 -0.26 0.00 0.00 64.21 62.05 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 -3.92 2.34 -0.60 7.33 1.16 -0.12 -4.85 117.46 118.81 2dad n PHE 35 Ca 0.04 -0.20 -0.31 0.00 -1.87 0.00 0.00 57.45 55.11 2dad n PHE 35 Cb 0.50 -2.74 0.21 0.00 -1.61 0.00 0.00 39.48 35.84 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 7.93 -2.00 -3.44 5.98 2.88 -1.26 -4.75 113.62 118.95 2dad n SER 36 Ca 0.23 -0.09 -0.09 0.00 -1.33 0.00 0.00 58.87 57.59 2dad n SER 36 Cb 0.37 -1.12 -0.09 0.00 -0.75 0.00 0.00 64.21 62.62 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 -2.33 -0.60 -0.10 2.46 2.01 -1.26 -3.84 115.64 111.98 2dad s THR 37 Ca 0.62 0.01 0.14 0.00 0.31 0.00 0.00 61.69 62.76 2dad s THR 37 Cb -0.19 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 2dad s THR 37 CO 0.66 -0.06 1.23 0.50 -0.69 0.00 0.00 174.62 176.25 2dad h LYS 38 N 8.19 0.00 -4.05 4.92 3.64 -1.17 -3.47 116.57 124.64 2dad h LYS 38 Ca -0.18 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.01 2dad h LYS 38 Cb 1.14 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.75 2dad h LYS 38 CO 0.23 0.54 -0.71 -1.54 -2.27 0.00 0.00 179.45 175.70 2dad s SER 39 N -6.32 0.31 0.29 4.20 1.04 -1.13 -1.18 113.70 110.91 2dad s SER 39 Ca 0.01 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 55.99 2dad s SER 39 Cb 0.08 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 2dad s SER 39 CO 0.78 -0.27 0.14 0.00 0.98 0.00 0.00 173.24 174.87 2dad s ARG 41 N -3.88 0.26 0.05 0.00 3.52 0.42 -1.74 118.95 117.58 2dad s ARG 41 Ca 0.36 0.16 -0.06 0.00 -0.13 0.00 0.00 55.73 56.06 2dad s ARG 41 Cb 0.06 -0.92 -0.05 0.00 -1.56 0.00 0.00 34.95 32.48 2dad s ARG 41 CO 0.16 -0.76 0.29 0.08 -0.81 0.00 0.00 175.30 174.26 2dad s VAL 42 N 2.37 5.27 -0.27 7.11 1.01 -1.01 0.42 120.40 135.32 2dad s VAL 42 Ca 0.09 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 2dad s VAL 42 Cb -0.15 -3.59 0.15 0.00 0.00 0.00 0.00 36.38 32.79 2dad s VAL 42 CO -0.19 0.26 0.47 -0.55 0.00 0.00 0.00 175.10 175.10 2dad s SER 43 N -1.96 -0.47 0.00 3.32 0.15 0.08 -2.69 113.70 112.14 2dad s SER 43 Ca 0.32 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2dad s SER 43 Cb -0.13 1.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 2dad s SER 43 CO 0.20 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2dad n GLY 44 N 5.39 0.63 0.00 9.45 0.00 -1.26 0.63 105.19 120.03 2dad n GLY 44 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.45 2.01 3.89 -0.02 0.00 -1.26 -3.02 105.19 106.34 2dad n GLY 45 Ca 0.00 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.09 5.19 -0.01 1.61 0.01 -0.85 -4.47 113.70 115.08 2dad s SER 46 Ca 0.00 1.00 -0.01 0.00 1.31 0.00 0.00 55.95 58.25 2dad s SER 46 Cb 0.00 -1.72 0.01 0.00 0.21 0.00 0.00 66.02 64.51 2dad s SER 46 CO 0.00 -1.48 0.03 0.26 0.41 0.00 0.00 173.24 172.45 2dad s TRP 47 N -3.40 -0.02 -0.21 2.43 0.52 -0.83 0.85 118.94 118.27 2dad s TRP 47 Ca 0.59 0.08 -0.09 0.00 0.02 0.00 0.00 56.10 56.69 2dad s TRP 47 Cb -0.11 -0.02 -0.05 0.00 -1.15 0.00 0.00 33.47 32.15 2dad s TRP 47 CO 0.51 -0.02 0.12 0.08 0.02 0.00 0.00 176.95 177.65 2dad s VAL 48 N 0.14 5.21 -0.23 4.03 1.01 -0.46 -0.14 120.40 129.96 2dad s VAL 48 Ca -0.01 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2dad s VAL 48 Cb -0.02 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.99 2dad s VAL 48 CO -0.00 0.41 -0.09 0.68 0.00 0.00 0.00 175.10 176.10 2dad s VAL 49 N 0.63 2.77 0.21 2.92 -7.23 -0.00 -1.64 120.40 118.06 2dad s VAL 49 Ca 0.07 -0.92 0.04 0.00 -1.81 0.00 0.00 61.98 59.36 2dad s VAL 49 Cb -0.12 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 2dad s VAL 49 CO 0.01 0.31 0.34 -0.31 -0.31 0.00 0.00 175.10 175.13 2dad s TYR 50 N 1.34 3.46 -0.86 2.82 1.51 -0.88 -1.79 117.35 122.94 2dad s TYR 50 Ca 0.02 0.02 0.22 0.00 -1.01 0.00 0.00 57.07 56.32 2dad s TYR 50 Cb -0.15 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 2dad s TYR 50 CO -0.06 0.46 1.00 -0.40 -1.11 0.00 0.00 175.55 175.44 2dad n ASP 51 N -1.16 0.76 -4.76 2.29 5.75 -1.25 -0.85 116.55 117.33 2dad n ASP 51 Ca -0.08 -0.63 -0.24 0.00 -0.01 0.00 0.00 54.79 53.82 2dad n ASP 51 Cb 0.56 0.88 -0.06 0.00 -1.03 0.00 0.00 41.12 41.47 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 -3.22 2.25 0.41 6.12 0.00 -1.03 -4.49 107.32 107.35 2dad s GLY 52 Ca 0.07 -2.03 -0.19 0.00 0.00 0.00 0.00 44.72 42.56 2dad s GLY 52 CO 0.83 -1.85 0.90 -0.54 0.00 0.00 0.00 173.10 172.43 2dad s GLU 53 N -3.94 4.16 -1.38 2.90 8.01 -1.26 -3.81 118.70 123.38 2dad s GLU 53 Ca 0.42 1.00 -0.07 0.00 0.01 0.00 0.00 54.97 56.32 2dad s GLU 53 Cb 0.02 -2.24 0.01 0.00 -4.31 0.00 0.00 34.13 27.60 2dad s GLU 53 CO 0.23 0.00 0.99 0.09 0.01 0.00 0.00 175.26 176.59 2dad n ASN 54 N -0.62 -6.21 -3.79 -0.19 3.02 -1.25 -2.16 115.26 104.05 2dad n ASN 54 Ca 0.06 -0.45 -0.26 0.00 -0.03 0.00 0.00 54.58 53.90 2dad n ASN 54 Cb 0.54 -4.90 0.04 0.00 -0.61 0.00 0.00 39.78 34.85 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 -4.81 -2.26 -4.00 3.10 3.01 -1.25 -4.98 117.46 106.27 2dad n PHE 55 Ca -0.03 0.90 -0.22 0.00 1.01 0.00 0.00 57.45 59.12 2dad n PHE 55 Cb 0.58 -4.29 -0.03 0.00 -0.01 0.00 0.00 39.48 35.73 2dad n PHE 55 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2dad s THR 56 N -3.42 5.08 0.00 4.37 -4.23 -0.92 -4.95 115.64 111.58 2dad s THR 56 Ca 0.43 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2dad s THR 56 Cb -0.21 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.88 2dad s THR 56 CO 0.81 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 175.19 2dad n GLY 57 N -1.28 0.43 4.01 3.99 0.00 -1.26 -2.47 105.19 108.61 2dad n GLY 57 Ca -0.09 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 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 4.88 -0.08 1.61 0.01 -1.26 -5.02 114.94 111.08 2dad s ASN 58 Ca 0.00 -0.51 -0.13 0.00 -0.71 0.00 0.00 52.86 51.51 2dad s ASN 58 Cb 0.00 -0.07 0.03 0.00 0.41 0.00 0.00 41.25 41.62 2dad s ASN 58 CO 0.00 -1.46 0.33 0.00 -1.51 0.00 0.00 177.10 174.46 2dad s GLN 59 N -4.83 0.51 -0.13 -0.60 -2.07 -1.26 -3.79 119.66 107.50 2dad s GLN 59 Ca 0.62 0.20 -0.03 0.00 -1.82 0.00 0.00 55.36 54.33 2dad s GLN 59 Cb -0.07 0.24 0.05 0.00 -1.09 0.00 0.00 33.01 32.14 2dad s GLN 59 CO 0.40 -0.10 0.04 0.71 -1.32 0.00 0.00 175.29 175.02 2dad s TYR 60 N -0.45 0.56 0.73 9.60 1.51 -0.74 -4.94 117.35 123.62 2dad s TYR 60 Ca -0.06 -0.33 -0.11 0.00 -1.01 0.00 0.00 57.07 55.56 2dad s TYR 60 Cb -0.04 -0.79 0.03 0.00 -0.11 0.00 0.00 41.96 41.06 2dad s TYR 60 CO 0.02 -0.43 1.09 0.14 -1.11 0.00 0.00 175.55 175.26 2dad s VAL 61 N 2.01 3.46 -0.04 0.71 -7.23 -1.26 -0.82 120.40 117.23 2dad s VAL 61 Ca 0.03 0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 60.66 2dad s VAL 61 Cb -0.15 -3.35 0.03 0.00 0.56 0.00 0.00 36.38 33.47 2dad s VAL 61 CO -0.07 -0.62 0.07 -0.76 -0.31 0.00 0.00 175.10 173.41 2dad s LEU 62 N -5.52 0.69 0.70 1.32 1.43 0.80 -4.91 118.68 113.18 2dad s LEU 62 Ca 0.59 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 2dad s LEU 62 Cb -0.13 0.01 0.01 0.00 0.03 0.00 0.00 46.19 46.11 2dad s LEU 62 CO 0.53 -0.17 1.07 -1.61 0.23 0.00 0.00 176.35 176.39 2dad s GLU 63 N 1.46 2.93 0.04 1.70 2.02 -1.26 -1.97 118.70 123.62 2dad s GLU 63 Ca -0.05 0.74 -0.30 0.00 0.02 0.00 0.00 54.97 55.38 2dad s GLU 63 Cb -0.12 -2.01 -0.08 0.00 0.10 0.00 0.00 34.13 32.02 2dad s GLU 63 CO -0.04 -1.05 1.78 -2.00 0.02 0.00 0.00 175.26 173.97 2dad s GLU 64 N -5.16 4.17 0.00 1.61 2.12 -1.26 -4.70 118.70 115.47 2dad s GLU 64 Ca 0.58 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.33 2dad s GLU 64 Cb -0.13 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.39 2dad s GLU 64 CO 0.54 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 2dad n GLY 65 N 4.24 -0.52 2.90 -1.50 0.00 -1.09 -5.02 105.19 104.19 2dad n GLY 65 Ca 0.18 -0.92 -0.29 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 -3.26 1.94 -0.53 1.61 -3.43 -1.26 -2.39 115.29 107.97 2dad s HIS 66 Ca 0.00 -1.34 -0.17 0.00 -0.80 0.00 0.00 55.06 52.75 2dad s HIS 66 Cb 0.00 -1.41 0.10 0.00 -1.43 0.00 0.00 32.58 29.84 2dad s HIS 66 CO 0.00 -0.68 0.52 0.71 -2.00 0.00 0.00 174.74 173.29 2dad s TYR 67 N 1.55 3.18 0.21 0.38 2.02 -0.71 -4.91 117.35 119.07 2dad s TYR 67 Ca -0.02 -1.05 0.25 0.00 -0.37 0.00 0.00 57.07 55.88 2dad s TYR 67 Cb -0.17 -3.64 1.06 0.00 -0.40 0.00 0.00 41.96 38.82 2dad s TYR 67 CO -0.07 -1.01 1.89 -1.00 -1.57 0.00 0.00 175.55 173.79 2dad h PRO 68 N 8.92 0.00 -4.36 -1.71 0.13 -1.92 -2.27 132.00 130.79 2dad h PRO 68 Ca -0.29 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.59 2dad h PRO 68 Cb 1.10 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 2dad h PRO 68 CO 1.00 0.20 -0.42 0.00 -0.23 0.00 0.00 178.00 178.55 2dad h LEU 70 N 2.38 0.06 -0.83 0.00 3.38 -1.48 -3.31 115.31 115.51 2dad h LEU 70 Ca -0.31 -0.68 0.08 0.00 0.09 0.00 0.00 57.88 57.06 2dad h LEU 70 Cb 1.25 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.88 2dad h LEU 70 CO 0.44 0.74 -0.49 -0.24 0.09 0.00 0.00 178.44 178.97 2dad n SER 71 N -4.71 -0.88 -0.36 -0.43 2.88 -1.26 0.14 113.62 108.99 2dad n SER 71 Ca -0.09 1.61 0.28 0.00 -1.33 0.00 0.00 58.87 59.34 2dad n SER 71 Cb 0.37 -0.25 0.55 0.00 -0.75 0.00 0.00 64.21 64.13 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 0.29 2.38 0.00 -1.46 0.00 -1.92 1.24 119.26 119.79 2dad h ALA 72 Ca 0.13 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2dad h ALA 72 Cb 0.34 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2dad h ALA 72 CO -0.78 -0.88 -0.49 0.52 0.00 0.00 0.00 179.25 177.61 2dad h MET 73 N 0.28 0.00 0.00 0.00 2.07 0.11 -3.47 114.93 113.91 2dad h MET 73 Ca 0.68 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.31 2dad h MET 73 Cb 1.88 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.61 2dad h MET 73 CO -0.36 0.49 0.00 0.41 1.07 0.00 0.00 176.91 178.52 2dad n GLY 74 N 0.65 2.09 3.60 8.32 0.00 0.43 -5.01 105.19 115.26 2dad n GLY 74 Ca 0.00 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.04 1.18 -0.99 0.00 0.04 -1.26 -4.08 135.00 127.85 2dad s PRO 76 Ca 0.64 0.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.23 2dad s PRO 76 Cb -0.55 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 2dad s PRO 76 CO 0.56 -2.29 1.94 -1.25 0.04 0.00 0.00 177.00 176.01 2dad s PRO 77 N -4.94 2.54 0.00 0.56 0.04 -1.26 -3.21 135.00 128.74 2dad s PRO 77 Ca 0.64 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2dad s PRO 77 Cb -0.18 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2dad s PRO 77 CO 0.57 -3.56 0.00 0.41 0.04 0.00 0.00 177.00 174.46 2dad n GLY 78 N 6.54 0.70 3.41 0.56 0.00 -1.26 -5.14 105.19 110.00 2dad n GLY 78 Ca 0.42 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.75 2.89 -0.07 4.61 0.00 -1.20 -5.11 121.76 122.14 2dad s ALA 79 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2dad s ALA 79 Cb 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 2dad s ALA 79 CO 0.00 -0.06 -0.05 0.99 0.00 0.00 0.00 175.76 176.63 2dad s THR 80 N 0.85 3.83 -0.11 0.00 2.01 -1.26 -4.56 115.64 116.41 2dad s THR 80 Ca -0.01 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 2dad s THR 80 Cb -0.15 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 2dad s THR 80 CO 0.01 0.60 0.30 -0.36 -0.69 0.00 0.00 174.62 174.48 2dad s PHE 81 N -0.80 3.57 -0.05 4.92 0.08 -1.26 -4.05 117.98 120.39 2dad s PHE 81 Ca 0.12 0.70 0.04 0.00 0.12 0.00 0.00 56.93 57.91 2dad s PHE 81 Cb -0.11 -2.24 -0.05 0.00 -0.57 0.00 0.00 43.02 40.04 2dad s PHE 81 CO 0.02 0.46 0.01 1.63 -0.10 0.00 0.00 175.22 177.23 2dad n LYS 82 N 2.74 3.02 -4.08 0.44 5.02 -0.03 -4.68 118.16 120.60 2dad n LYS 82 Ca -0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.03 2dad n LYS 82 Cb 0.53 -1.12 -0.11 0.00 -0.02 0.00 0.00 35.03 34.31 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 -3.63 0.84 0.23 4.39 1.04 -1.24 -1.40 113.70 113.92 2dad s SER 83 Ca -0.03 -0.67 0.08 0.00 0.48 0.00 0.00 55.95 55.81 2dad s SER 83 Cb 0.01 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.15 2dad s SER 83 CO 0.18 -0.29 -0.13 -0.76 0.98 0.00 0.00 173.24 173.22 2dad s LEU 84 N -1.95 2.54 -0.27 2.42 1.43 0.11 -2.08 118.68 120.87 2dad s LEU 84 Ca -0.05 -1.06 -0.00 0.00 -1.03 0.00 0.00 54.13 51.98 2dad s LEU 84 Cb -0.06 -0.69 0.14 0.00 0.03 0.00 0.00 46.19 45.62 2dad s LEU 84 CO -0.01 -0.20 0.37 -0.60 0.23 0.00 0.00 176.35 176.14 2dad s ARG 85 N -3.66 0.37 -0.24 1.70 3.52 -0.65 -2.80 118.95 117.18 2dad s ARG 85 Ca 0.25 0.24 -0.28 0.00 -0.13 0.00 0.00 55.73 55.80 2dad s ARG 85 Cb 0.00 -0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 32.90 2dad s ARG 85 CO 0.09 -0.87 1.99 0.12 -0.81 0.00 0.00 175.30 175.81 2dad s PHE 86 N 2.51 1.50 -0.62 5.12 5.36 -1.26 -1.35 117.98 129.24 2dad s PHE 86 Ca 0.11 0.50 -0.23 0.00 -0.96 0.00 0.00 56.93 56.35 2dad s PHE 86 Cb -0.14 -4.03 0.06 0.00 -0.34 0.00 0.00 43.02 38.57 2dad s PHE 86 CO -0.25 -3.67 0.93 0.42 -1.46 0.00 0.00 175.22 171.19 2dad s ILE 87 N 7.22 4.39 -0.42 3.12 1.01 0.25 -4.98 121.20 131.79 2dad s ILE 87 Ca 0.89 -0.21 -0.27 0.00 0.00 0.00 0.00 60.65 61.06 2dad s ILE 87 Cb -0.29 -4.61 -0.03 0.00 0.01 0.00 0.00 42.46 37.54 2dad s ILE 87 CO 0.34 -1.30 1.94 -0.55 0.00 0.00 0.00 174.94 175.37 2dad s SER 88 N 3.37 5.47 0.00 3.58 0.15 -1.26 -2.02 113.70 122.99 2dad s SER 88 Ca 0.24 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.93 2dad s SER 88 Cb -0.16 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2dad s SER 88 CO 0.13 -2.09 0.00 0.61 1.20 0.00 0.00 173.24 173.09 2dad n GLY 89 N 5.61 0.47 3.76 9.45 0.00 -1.26 -4.97 105.19 118.26 2dad n GLY 89 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 2.72 2.18 0.21 1.61 0.04 -1.26 -5.06 135.00 135.45 2dad s PRO 90 Ca 0.00 1.15 -0.02 0.00 0.04 0.00 0.00 61.00 62.17 2dad s PRO 90 Cb 0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2dad s PRO 90 CO 0.00 -1.69 0.17 -1.54 0.04 0.00 0.00 177.00 173.99 2dad s SER 91 N -3.39 0.18 0.07 6.66 1.04 -1.26 -4.86 113.70 112.13 2dad s SER 91 Ca 0.61 -1.35 0.08 0.00 0.48 0.00 0.00 55.95 55.77 2dad s SER 91 Cb -0.17 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 2dad s SER 91 CO 0.56 -0.88 -0.21 -0.94 0.98 0.00 0.00 173.24 172.75 2dad s SER 92 N -3.15 2.54 0.00 7.02 1.04 -1.26 -5.18 113.70 114.71 2dad s SER 92 Ca 0.37 -0.59 0.13 0.00 0.48 0.00 0.00 55.95 56.35 2dad s SER 92 Cb 0.06 -0.19 0.80 0.00 0.10 0.00 0.00 66.02 66.79 2dad s SER 92 CO 0.12 0.13 1.22 0.61 0.98 0.00 0.00 173.24 176.31