#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 -0.51 -3.49 1.61 0.87 -2.08 -3.45 113.55 106.50 2dad h SER 2 Ca 0.00 -0.09 -0.21 0.00 -1.23 0.00 0.00 61.79 60.26 2dad h SER 2 Cb 0.00 0.13 -0.29 0.00 -0.44 0.00 0.00 62.40 61.80 2dad h SER 2 CO 0.00 -0.15 -0.52 -0.55 -0.53 0.00 0.00 176.83 175.08 2dad s SER 3 N -4.85 -0.20 -0.10 6.23 0.15 -1.26 -5.15 113.70 108.52 2dad s SER 3 Ca -0.14 0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.97 2dad s SER 3 Cb 0.02 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2dad s SER 3 CO 0.50 -0.14 -0.21 -0.83 1.20 0.00 0.00 173.24 173.76 2dad s GLY 4 N 0.95 1.24 -0.16 9.45 0.00 -1.26 -5.02 107.32 112.52 2dad s GLY 4 Ca -0.07 -0.90 -0.17 0.00 0.00 0.00 0.00 44.72 43.58 2dad s GLY 4 CO -0.06 -0.17 0.33 1.48 0.00 0.00 0.00 173.10 174.68 2dad h SER 5 N 6.91 0.18 -1.97 1.64 4.64 -1.96 -3.49 113.55 119.50 2dad h SER 5 Ca -0.24 -0.70 -0.57 0.00 -0.47 0.00 0.00 61.79 59.81 2dad h SER 5 Cb 1.22 -0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 63.16 2dad h SER 5 CO 0.49 1.60 -0.60 -0.55 -0.87 0.00 0.00 176.83 176.90 2dad s SER 6 N -6.92 4.40 0.10 4.97 0.15 -1.26 -5.01 113.70 110.12 2dad s SER 6 Ca -0.25 -0.85 -0.03 0.00 0.70 0.00 0.00 55.95 55.52 2dad s SER 6 Cb 0.06 -0.65 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 2dad s SER 6 CO 0.67 -0.20 0.30 -0.83 1.20 0.00 0.00 173.24 174.38 2dad s GLY 7 N -3.74 2.22 -0.03 9.45 0.00 -1.10 -4.46 107.32 109.66 2dad s GLY 7 Ca 0.35 -0.68 -0.18 0.00 0.00 0.00 0.00 44.72 44.21 2dad s GLY 7 CO 0.20 -0.62 0.38 1.62 0.00 0.00 0.00 173.10 174.69 2dad s GLN 8 N -2.52 0.73 0.02 2.90 0.74 -0.70 -4.75 119.66 116.07 2dad s GLN 8 Ca 0.37 -0.08 0.06 0.00 0.05 0.00 0.00 55.36 55.77 2dad s GLN 8 Cb -0.13 0.33 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 2dad s GLN 8 CO 0.25 -0.20 -0.18 -1.50 -0.55 0.00 0.00 175.29 173.11 2dad s ILE 9 N -1.23 1.45 -0.21 -2.34 2.07 -0.47 -2.08 121.20 118.38 2dad s ILE 9 Ca -0.13 -0.98 -0.01 0.00 -1.41 0.00 0.00 60.65 58.13 2dad s ILE 9 Cb -0.04 -1.25 0.06 0.00 0.13 0.00 0.00 42.46 41.36 2dad s ILE 9 CO 0.05 0.24 -0.02 -2.28 -1.91 0.00 0.00 174.94 171.02 2dad s HIS 10 N -0.65 1.85 0.00 3.50 2.46 0.04 -0.63 115.29 121.86 2dad s HIS 10 Ca 0.06 -1.38 -0.02 0.00 0.47 0.00 0.00 55.06 54.20 2dad s HIS 10 Cb -0.08 -1.36 -0.04 0.00 -0.13 0.00 0.00 32.58 30.98 2dad s HIS 10 CO 0.01 -0.70 0.15 -0.51 -2.47 0.00 0.00 174.74 171.21 2dad s LEU 11 N 1.58 4.19 -0.17 8.88 2.01 0.10 0.85 118.68 136.13 2dad s LEU 11 Ca -0.04 0.26 -0.02 0.00 0.01 0.00 0.00 54.13 54.34 2dad s LEU 11 Cb -0.18 -2.52 0.05 0.00 0.01 0.00 0.00 46.19 43.55 2dad s LEU 11 CO -0.07 0.26 0.02 -0.36 1.01 0.00 0.00 176.35 177.21 2dad s PHE 12 N -1.30 1.03 0.31 0.29 0.40 0.09 -0.72 117.98 118.09 2dad s PHE 12 Ca 0.26 -0.75 0.07 0.00 -0.60 0.00 0.00 56.93 55.92 2dad s PHE 12 Cb -0.12 -1.01 0.87 0.00 0.51 0.00 0.00 43.02 43.26 2dad s PHE 12 CO 0.18 -0.55 1.47 0.45 0.70 0.00 0.00 175.22 177.46 2dad n SER 13 N 5.05 0.02 -4.94 1.36 2.88 0.04 -1.56 113.62 116.46 2dad n SER 13 Ca -0.09 1.58 -0.26 0.00 -1.33 0.00 0.00 58.87 58.77 2dad n SER 13 Cb 0.48 -0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 63.28 2dad n SER 13 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2dad s GLU 14 N -5.78 3.46 0.94 -1.46 2.02 -0.90 -1.95 118.70 115.03 2dad s GLU 14 Ca -0.11 -0.56 -0.12 0.00 0.02 0.00 0.00 54.97 54.20 2dad s GLU 14 Cb 0.29 -2.92 0.15 0.00 0.10 0.00 0.00 34.13 31.74 2dad s GLU 14 CO 0.73 0.48 1.09 -1.25 0.02 0.00 0.00 175.26 176.33 2dad s PRO 15 N -3.38 0.94 -1.52 0.39 0.04 -1.26 -2.92 135.00 127.29 2dad s PRO 15 Ca 0.35 0.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.08 2dad s PRO 15 Cb -0.11 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2dad s PRO 15 CO 0.29 -2.43 0.23 1.04 0.04 0.00 0.00 177.00 176.17 2dad n GLN 16 N -4.00 -2.74 -3.73 4.56 6.02 0.33 -2.40 117.38 115.43 2dad n GLN 16 Ca 0.06 0.87 -0.23 0.00 -0.01 0.00 0.00 57.00 57.69 2dad n GLN 16 Cb 0.56 -5.47 0.04 0.00 1.02 0.00 0.00 30.24 26.39 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 -4.18 -2.08 -4.73 1.08 3.72 -1.25 -4.99 117.46 105.02 2dad n PHE 17 Ca -0.17 0.87 -0.32 0.00 -0.05 0.00 0.00 57.45 57.78 2dad n PHE 17 Cb 0.64 -4.38 -0.08 0.00 -0.94 0.00 0.00 39.48 34.72 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 -6.11 2.16 2.94 -1.08 -1.52 -1.01 -5.05 119.66 109.99 2dad s GLN 18 Ca 0.20 -2.37 0.00 0.00 -1.95 0.00 0.00 55.36 51.24 2dad s GLN 18 Cb -0.10 -1.47 0.00 0.00 -0.22 0.00 0.00 33.01 31.23 2dad s GLN 18 CO 0.81 -0.35 0.00 0.41 -0.25 0.00 0.00 175.29 175.91 2dad n GLY 19 N -1.22 0.37 3.63 3.09 0.00 -1.26 -2.12 105.19 107.68 2dad n GLY 19 Ca -0.17 -0.91 -0.46 0.00 0.00 0.00 0.00 46.02 44.48 2dad n GLY 19 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2dad n HIS 20 N 0.00 1.77 -5.27 1.61 -0.00 -1.26 -4.75 115.22 107.32 2dad n HIS 20 Ca 0.00 0.57 -0.31 0.00 0.46 0.00 0.00 57.72 58.44 2dad n HIS 20 Cb 0.00 -2.36 -0.16 0.00 -0.12 0.00 0.00 29.99 27.34 2dad n HIS 20 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2dad s SER 21 N -0.03 3.03 -0.22 0.26 1.04 -1.26 -0.78 113.70 115.73 2dad s SER 21 Ca 0.66 -0.49 -0.07 0.00 0.48 0.00 0.00 55.95 56.53 2dad s SER 21 Cb -0.70 -0.64 0.10 0.00 0.10 0.00 0.00 66.02 64.87 2dad s SER 21 CO 0.54 0.27 0.46 -1.10 0.98 0.00 0.00 173.24 174.39 2dad s GLN 22 N -0.33 0.37 -0.01 4.02 -0.21 0.10 -5.02 119.66 118.58 2dad s GLN 22 Ca 0.02 1.10 0.06 0.00 0.02 0.00 0.00 55.36 56.56 2dad s GLN 22 Cb -0.12 0.42 -0.03 0.00 1.00 0.00 0.00 33.01 34.28 2dad s GLN 22 CO 0.02 -0.25 -0.19 -1.54 -2.12 0.00 0.00 175.29 171.20 2dad s SER 23 N 2.66 3.63 -0.02 5.90 1.04 -1.26 0.02 113.70 125.67 2dad s SER 23 Ca -0.02 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.11 2dad s SER 23 Cb -0.12 -0.61 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 2dad s SER 23 CO -0.14 0.31 -0.19 -0.36 0.98 0.00 0.00 173.24 173.84 2dad s PHE 24 N -0.74 1.73 -0.17 5.02 0.40 0.20 -4.97 117.98 119.45 2dad s PHE 24 Ca 0.12 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.17 2dad s PHE 24 Cb -0.10 -1.11 -0.14 0.00 0.51 0.00 0.00 43.02 42.17 2dad s PHE 24 CO 0.01 -0.03 -0.08 -1.91 0.70 0.00 0.00 175.22 173.91 2dad n GLU 25 N 2.62 0.91 -3.29 0.44 2.13 -1.26 -1.37 120.64 120.82 2dad n GLU 25 Ca -0.15 0.06 -0.18 0.00 0.66 0.00 0.00 57.16 57.55 2dad n GLU 25 Cb 0.53 -1.36 -0.00 0.00 0.27 0.00 0.00 31.44 30.88 2dad n GLU 25 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2dad s GLU 26 N -2.36 2.94 -0.30 5.31 8.01 -1.26 -4.78 118.70 126.27 2dad s GLU 26 Ca -0.18 -1.15 -0.28 0.00 0.01 0.00 0.00 54.97 53.37 2dad s GLU 26 Cb 0.06 -2.75 -0.05 0.00 -4.31 0.00 0.00 34.13 27.08 2dad s GLU 26 CO 0.48 -0.09 2.16 0.99 0.01 0.00 0.00 175.26 178.80 2dad s THR 27 N -2.27 3.11 0.23 3.63 2.01 -1.26 -4.84 115.64 116.24 2dad s THR 27 Ca 0.49 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.46 2dad s THR 27 Cb -0.09 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 2dad s THR 27 CO 0.32 -0.12 0.62 -0.89 -0.69 0.00 0.00 174.62 173.85 2dad s THR 28 N 8.71 4.80 -0.10 -0.82 2.01 -1.10 -4.93 115.64 124.20 2dad s THR 28 Ca 0.95 0.81 0.06 0.00 0.31 0.00 0.00 61.69 63.82 2dad s THR 28 Cb -0.28 -3.69 -0.11 0.00 0.01 0.00 0.00 72.50 68.44 2dad s THR 28 CO 0.33 0.04 -0.01 -1.54 -0.69 0.00 0.00 174.62 172.74 2dad n SER 29 N 0.21 2.79 -4.08 3.53 3.41 -1.26 -0.08 113.62 118.14 2dad n SER 29 Ca -0.01 -0.02 -0.17 0.00 -0.26 0.00 0.00 58.87 58.41 2dad n SER 29 Cb 0.52 0.46 -0.13 0.00 -0.26 0.00 0.00 64.21 64.80 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 -2.23 0.72 0.09 4.33 -2.07 -1.01 -3.69 119.66 115.80 2dad s GLN 30 Ca -0.08 -0.65 0.02 0.00 -1.82 0.00 0.00 55.36 52.83 2dad s GLN 30 Cb 0.03 -0.65 -0.04 0.00 -1.09 0.00 0.00 33.01 31.26 2dad s GLN 30 CO 0.35 0.16 0.16 0.42 -1.32 0.00 0.00 175.29 175.06 2dad s ILE 31 N -0.87 4.91 -0.56 3.63 -1.09 -0.75 -4.89 121.20 121.59 2dad s ILE 31 Ca -0.02 -0.67 -0.30 0.00 -2.23 0.00 0.00 60.65 57.43 2dad s ILE 31 Cb -0.07 -3.42 -0.12 0.00 -1.58 0.00 0.00 42.46 37.27 2dad s ILE 31 CO 0.01 0.07 2.41 0.47 -1.23 0.00 0.00 174.94 176.67 2dad n ASP 32 N 0.17 1.79 -2.77 3.58 9.92 -1.26 -0.95 116.55 127.02 2dad n ASP 32 Ca -0.07 -0.01 -0.16 0.00 -0.53 0.00 0.00 54.79 54.02 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 0.47 0.13 0.00 0.00 177.20 177.80 2dad n ASP 33 N 12.42 -3.98 -3.98 -2.24 9.92 -1.26 -0.77 116.55 126.66 2dad n ASP 33 Ca 0.45 -0.02 -0.32 0.00 -0.53 0.00 0.00 54.79 54.37 2dad n ASP 33 Cb 0.31 -3.34 -0.01 0.00 -0.64 0.00 0.00 41.12 37.44 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 -2.00 -3.72 -4.65 -2.24 3.41 -0.13 -4.81 113.62 99.48 2dad n SER 34 Ca -0.10 -0.83 -0.42 0.00 -0.26 0.00 0.00 58.87 57.26 2dad n SER 34 Cb 0.59 -3.03 -0.03 0.00 -0.26 0.00 0.00 64.21 61.48 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 -4.34 2.40 -0.99 7.33 1.16 0.05 -4.87 117.46 118.20 2dad n PHE 35 Ca 0.06 -0.32 -0.34 0.00 -1.87 0.00 0.00 57.45 54.97 2dad n PHE 35 Cb 0.51 -2.79 0.10 0.00 -1.61 0.00 0.00 39.48 35.69 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 8.39 -1.72 -3.95 5.98 3.41 -1.26 -4.70 113.62 119.77 2dad n SER 36 Ca 0.22 0.44 -0.29 0.00 -0.26 0.00 0.00 58.87 58.98 2dad n SER 36 Cb 0.41 -1.21 -0.16 0.00 -0.26 0.00 0.00 64.21 62.99 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 -2.19 1.38 -0.04 6.66 2.01 -1.26 -3.94 115.64 118.25 2dad s THR 37 Ca 0.60 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.78 2dad s THR 37 Cb -0.27 -1.46 -0.29 0.00 0.01 0.00 0.00 72.50 70.49 2dad s THR 37 CO 0.64 0.22 0.68 0.11 -0.69 0.00 0.00 174.62 175.57 2dad h LYS 38 N 8.06 0.33 -4.72 4.92 1.79 -0.61 -3.47 116.57 122.87 2dad h LYS 38 Ca -0.28 -0.56 -0.24 0.00 -2.18 0.00 0.00 60.65 57.39 2dad h LYS 38 Cb 1.11 0.21 -0.15 0.00 -1.58 0.00 0.00 32.23 31.82 2dad h LYS 38 CO 0.45 1.22 -0.70 -1.54 -1.08 0.00 0.00 179.45 177.80 2dad s SER 39 N -7.13 1.24 0.18 0.86 1.04 -0.97 -3.00 113.70 105.92 2dad s SER 39 Ca -0.15 -0.99 -0.01 0.00 0.48 0.00 0.00 55.95 55.29 2dad s SER 39 Cb 0.06 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 2dad s SER 39 CO 0.84 -0.43 0.09 0.00 0.98 0.00 0.00 173.24 174.72 2dad s ARG 41 N -4.09 0.24 -0.06 0.00 3.52 0.25 -1.36 118.95 117.45 2dad s ARG 41 Ca 0.33 -0.16 -0.12 0.00 -0.13 0.00 0.00 55.73 55.66 2dad s ARG 41 Cb 0.07 -0.98 -0.05 0.00 -1.56 0.00 0.00 34.95 32.43 2dad s ARG 41 CO 0.08 -0.92 0.30 0.08 -0.81 0.00 0.00 175.30 174.03 2dad s VAL 42 N 2.27 5.24 -0.29 7.11 1.01 -1.23 -0.78 120.40 133.73 2dad s VAL 42 Ca 0.08 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2dad s VAL 42 Cb -0.15 -3.59 0.18 0.00 0.00 0.00 0.00 36.38 32.82 2dad s VAL 42 CO -0.28 0.57 0.54 -0.55 0.00 0.00 0.00 175.10 175.39 2dad s SER 43 N -0.87 -1.04 0.00 3.32 0.15 -0.88 -2.51 113.70 111.87 2dad s SER 43 Ca 0.20 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2dad s SER 43 Cb -0.15 1.85 0.00 0.00 -1.71 0.00 0.00 66.02 66.01 2dad s SER 43 CO 0.09 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2dad n GLY 44 N 5.41 0.65 0.00 9.45 0.00 -1.26 -1.72 105.19 117.72 2dad n GLY 44 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 1.36 3.94 -0.02 0.00 -1.26 -2.70 105.19 106.51 2dad n GLY 45 Ca 0.00 -2.17 -0.24 0.00 0.00 0.00 0.00 46.02 43.61 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 5.71 -0.16 1.61 0.01 -1.09 -4.44 113.70 115.35 2dad s SER 46 Ca 0.00 0.38 -0.04 0.00 1.31 0.00 0.00 55.95 57.60 2dad s SER 46 Cb 0.00 -1.52 0.08 0.00 0.21 0.00 0.00 66.02 64.78 2dad s SER 46 CO 0.00 -0.85 0.24 0.26 0.41 0.00 0.00 173.24 173.30 2dad s TRP 47 N -2.70 -0.36 -0.09 2.43 0.52 -0.91 -1.74 118.94 116.10 2dad s TRP 47 Ca 0.51 0.63 -0.19 0.00 0.02 0.00 0.00 56.10 57.06 2dad s TRP 47 Cb -0.10 -0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 31.99 2dad s TRP 47 CO 0.40 -0.46 0.53 0.08 0.02 0.00 0.00 176.95 177.52 2dad s VAL 48 N 2.37 5.12 -0.19 4.03 1.01 -0.42 -0.88 120.40 131.44 2dad s VAL 48 Ca 0.04 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.08 2dad s VAL 48 Cb -0.14 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2dad s VAL 48 CO -0.10 0.34 -0.13 0.68 0.00 0.00 0.00 175.10 175.89 2dad s VAL 49 N 0.47 2.72 -0.18 2.92 -7.23 0.00 -0.86 120.40 118.24 2dad s VAL 49 Ca 0.28 -0.72 -0.08 0.00 -1.81 0.00 0.00 61.98 59.65 2dad s VAL 49 Cb -0.16 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2dad s VAL 49 CO 0.13 0.49 0.09 -0.31 -0.31 0.00 0.00 175.10 175.18 2dad s TYR 50 N 1.23 3.32 -0.30 2.82 1.51 -0.59 -2.77 117.35 122.58 2dad s TYR 50 Ca 0.03 0.19 0.24 0.00 -1.01 0.00 0.00 57.07 56.52 2dad s TYR 50 Cb -0.14 -2.10 1.13 0.00 -0.11 0.00 0.00 41.96 40.74 2dad s TYR 50 CO -0.06 0.23 1.74 0.38 -1.11 0.00 0.00 175.55 176.74 2dad h ASP 51 N 6.58 0.00 -2.25 2.29 3.04 -1.76 -1.20 116.42 123.13 2dad h ASP 51 Ca -0.39 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 52.86 2dad h ASP 51 Cb 1.16 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.38 2dad h ASP 51 CO 0.72 0.00 -0.60 -0.83 -2.04 0.00 0.00 179.24 176.49 2dad s GLY 52 N -3.62 1.57 0.59 7.15 0.00 -1.19 -4.43 107.32 107.39 2dad s GLY 52 Ca 0.01 -1.55 -0.15 0.00 0.00 0.00 0.00 44.72 43.04 2dad s GLY 52 CO 0.34 -1.60 1.03 -0.54 0.00 0.00 0.00 173.10 172.33 2dad s GLU 53 N -3.69 3.48 -1.17 2.90 2.02 -1.26 -3.65 118.70 117.34 2dad s GLU 53 Ca 0.32 1.03 -0.01 0.00 0.02 0.00 0.00 54.97 56.32 2dad s GLU 53 Cb -0.07 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.10 2dad s GLU 53 CO 0.22 -0.66 0.17 0.09 0.02 0.00 0.00 175.26 175.10 2dad n ASN 54 N -2.18 -4.54 -3.83 -0.19 3.02 -1.26 -2.87 115.26 103.42 2dad n ASN 54 Ca 0.07 -0.09 -0.24 0.00 -0.03 0.00 0.00 54.58 54.29 2dad n ASN 54 Cb 0.53 -3.58 0.01 0.00 -0.61 0.00 0.00 39.78 36.14 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 -4.06 -1.89 -3.95 3.10 3.72 -1.25 -4.98 117.46 108.15 2dad n PHE 55 Ca -0.13 0.82 -0.24 0.00 -0.05 0.00 0.00 57.45 57.85 2dad n PHE 55 Cb 0.61 -4.08 -0.06 0.00 -0.94 0.00 0.00 39.48 35.01 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 -3.68 2.37 0.00 4.37 -4.23 -1.14 -5.02 115.64 108.30 2dad s THR 56 Ca 0.14 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2dad s THR 56 Cb -0.07 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2dad s THR 56 CO 0.84 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.53 2dad n GLY 57 N -1.36 0.23 3.85 3.99 0.00 -1.26 -3.17 105.19 107.47 2dad n GLY 57 Ca 0.00 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 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 6.47 -0.02 1.61 0.01 -1.26 -4.99 114.94 112.75 2dad s ASN 58 Ca 0.00 1.54 0.03 0.00 -0.71 0.00 0.00 52.86 53.73 2dad s ASN 58 Cb 0.00 -2.50 -0.00 0.00 0.41 0.00 0.00 41.25 39.16 2dad s ASN 58 CO 0.00 -0.70 -0.12 0.00 -1.51 0.00 0.00 177.10 174.77 2dad s GLN 59 N -4.37 1.13 -0.14 -0.60 -2.07 -1.26 -3.72 119.66 108.63 2dad s GLN 59 Ca 0.58 -0.42 -0.02 0.00 -1.82 0.00 0.00 55.36 53.68 2dad s GLN 59 Cb -0.11 -1.05 0.04 0.00 -1.09 0.00 0.00 33.01 30.81 2dad s GLN 59 CO 0.38 0.21 0.00 0.71 -1.32 0.00 0.00 175.29 175.27 2dad s TYR 60 N -0.05 0.99 0.30 9.60 1.51 -1.11 -4.95 117.35 123.63 2dad s TYR 60 Ca 0.00 -0.59 -0.20 0.00 -1.01 0.00 0.00 57.07 55.28 2dad s TYR 60 Cb -0.07 -0.98 -0.09 0.00 -0.11 0.00 0.00 41.96 40.70 2dad s TYR 60 CO 0.00 -0.49 0.80 0.14 -1.11 0.00 0.00 175.55 174.90 2dad s VAL 61 N 1.87 4.51 -0.16 0.71 -7.23 -1.26 -0.82 120.40 118.02 2dad s VAL 61 Ca 0.02 1.32 0.02 0.00 -1.81 0.00 0.00 61.98 61.52 2dad s VAL 61 Cb -0.15 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.04 2dad s VAL 61 CO -0.07 -0.00 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.75 2dad s LEU 62 N -2.47 2.13 0.98 1.32 1.43 -0.06 -4.90 118.68 117.11 2dad s LEU 62 Ca 0.51 -0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 52.83 2dad s LEU 62 Cb -0.14 -1.46 0.19 0.00 0.03 0.00 0.00 46.19 44.81 2dad s LEU 62 CO 0.19 0.05 1.23 -1.61 0.23 0.00 0.00 176.35 176.44 2dad s GLU 63 N 1.01 0.50 -0.30 1.70 8.01 -1.26 -2.14 118.70 126.22 2dad s GLU 63 Ca -0.02 -0.15 -0.29 0.00 0.01 0.00 0.00 54.97 54.52 2dad s GLU 63 Cb -0.14 -1.81 -0.00 0.00 -4.31 0.00 0.00 34.13 27.87 2dad s GLU 63 CO -0.06 -2.55 1.36 -2.00 0.01 0.00 0.00 175.26 172.02 2dad s GLU 64 N -5.65 3.87 0.00 1.61 2.12 -1.26 -4.53 118.70 114.86 2dad s GLU 64 Ca 0.70 1.29 0.00 0.00 0.36 0.00 0.00 54.97 57.32 2dad s GLU 64 Cb -0.08 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.40 2dad s GLU 64 CO 0.53 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 174.48 2dad n GLY 65 N 4.43 3.67 3.61 -1.50 0.00 -1.04 -5.01 105.19 109.35 2dad n GLY 65 Ca 0.16 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.21 2.03 -0.51 1.61 -3.43 -1.26 -3.56 115.29 108.96 2dad s HIS 66 Ca 0.00 0.61 -0.18 0.00 -0.80 0.00 0.00 55.06 54.70 2dad s HIS 66 Cb 0.00 -4.13 0.08 0.00 -1.43 0.00 0.00 32.58 27.10 2dad s HIS 66 CO 0.00 -2.71 0.56 0.71 -2.00 0.00 0.00 174.74 171.29 2dad s TYR 67 N 6.07 3.12 0.25 0.38 2.02 -0.46 -4.92 117.35 123.80 2dad s TYR 67 Ca 0.73 -0.80 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 2dad s TYR 67 Cb -0.21 -3.53 0.29 0.00 -0.40 0.00 0.00 41.96 38.11 2dad s TYR 67 CO 0.32 -1.00 1.62 -1.00 -1.57 0.00 0.00 175.55 173.92 2dad h PRO 68 N 8.94 0.41 -4.89 -1.71 0.13 -1.93 -2.34 132.00 130.61 2dad h PRO 68 Ca -0.28 -0.22 -0.36 0.00 -0.87 0.00 0.00 66.00 64.27 2dad h PRO 68 Cb 1.10 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 2dad h PRO 68 CO 0.97 0.78 -0.61 0.00 -0.23 0.00 0.00 178.00 178.91 2dad h LEU 70 N 2.36 0.32 -0.92 0.00 3.38 -1.86 -3.27 115.31 115.30 2dad h LEU 70 Ca -0.38 -0.66 0.15 0.00 0.09 0.00 0.00 57.88 57.08 2dad h LEU 70 Cb 1.25 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 2dad h LEU 70 CO 0.60 0.92 -0.33 -1.20 0.09 0.00 0.00 178.44 178.53 2dad n SER 71 N -4.49 -0.54 -0.12 -0.43 7.64 -1.26 0.21 113.62 114.63 2dad n SER 71 Ca -0.09 1.60 0.05 0.00 1.01 0.00 0.00 58.87 61.45 2dad n SER 71 Cb 0.47 -0.40 0.37 0.00 -1.01 0.00 0.00 64.21 63.64 2dad n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dad h ALA 72 N 1.41 1.68 -0.00 -0.43 0.00 -1.93 -1.35 119.26 118.64 2dad h ALA 72 Ca 0.35 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 2dad h ALA 72 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2dad h ALA 72 CO -0.92 0.25 -0.75 0.52 0.00 0.00 0.00 179.25 178.35 2dad h MET 73 N 0.71 0.01 0.00 0.00 2.07 0.23 -3.48 114.93 114.48 2dad h MET 73 Ca 0.24 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.86 2dad h MET 73 Cb 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.82 2dad h MET 73 CO -0.07 0.75 0.00 0.41 1.07 0.00 0.00 176.91 179.08 2dad n GLY 74 N 0.62 2.20 3.59 8.32 0.00 0.14 -5.01 105.19 115.06 2dad n GLY 74 Ca -0.01 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.99 2.43 -0.77 0.00 0.04 -1.26 -4.26 135.00 129.19 2dad s PRO 76 Ca 0.64 1.24 -0.25 0.00 0.04 0.00 0.00 61.00 62.66 2dad s PRO 76 Cb -0.56 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 2dad s PRO 76 CO 0.57 -1.52 1.91 -1.25 0.04 0.00 0.00 177.00 176.75 2dad s PRO 77 N -4.65 2.58 0.00 0.56 0.04 -1.26 -3.32 135.00 128.95 2dad s PRO 77 Ca 0.63 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.80 2dad s PRO 77 Cb -0.18 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.60 2dad s PRO 77 CO 0.51 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.87 2dad n GLY 78 N 6.33 0.86 3.42 0.56 0.00 -1.26 -5.14 105.19 109.96 2dad n GLY 78 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.17 2.77 -0.27 4.61 0.00 -1.21 -5.10 121.76 121.39 2dad s ALA 79 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 2dad s ALA 79 Cb 0.00 -1.34 0.03 0.00 0.00 0.00 0.00 23.12 21.81 2dad s ALA 79 CO 0.00 0.25 -0.02 0.99 0.00 0.00 0.00 175.76 176.98 2dad s THR 80 N 0.32 3.14 0.25 0.00 2.01 -1.26 -4.10 115.64 116.00 2dad s THR 80 Ca -0.08 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 2dad s THR 80 Cb -0.15 -2.65 -0.09 0.00 0.01 0.00 0.00 72.50 69.62 2dad s THR 80 CO 0.05 0.10 1.17 -0.36 -0.69 0.00 0.00 174.62 174.88 2dad s PHE 81 N 1.35 3.45 -0.02 4.92 0.08 -1.26 -4.41 117.98 122.08 2dad s PHE 81 Ca -0.01 1.55 0.01 0.00 0.12 0.00 0.00 56.93 58.61 2dad s PHE 81 Cb -0.17 -3.40 -0.03 0.00 -0.57 0.00 0.00 43.02 38.85 2dad s PHE 81 CO -0.02 -0.98 -0.00 1.63 -0.10 0.00 0.00 175.22 175.74 2dad n LYS 82 N 1.68 2.48 -4.11 0.44 5.02 -0.47 -4.65 118.16 118.55 2dad n LYS 82 Ca 0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 2dad n LYS 82 Cb 0.44 -1.06 -0.12 0.00 -0.02 0.00 0.00 35.03 34.27 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 -3.61 0.94 0.20 4.39 1.04 -1.12 -1.80 113.70 113.74 2dad s SER 83 Ca -0.02 -0.47 0.10 0.00 0.48 0.00 0.00 55.95 56.04 2dad s SER 83 Cb 0.01 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 2dad s SER 83 CO 0.09 -0.13 -0.20 -0.76 0.98 0.00 0.00 173.24 173.21 2dad s LEU 84 N -1.32 2.47 -0.15 2.42 1.43 0.88 -1.54 118.68 122.88 2dad s LEU 84 Ca -0.06 -0.91 -0.04 0.00 -1.03 0.00 0.00 54.13 52.09 2dad s LEU 84 Cb -0.09 -0.97 0.06 0.00 0.03 0.00 0.00 46.19 45.23 2dad s LEU 84 CO 0.01 0.01 0.13 -0.60 0.23 0.00 0.00 176.35 176.13 2dad s ARG 85 N -2.96 0.07 -0.59 1.70 3.52 -0.04 -2.72 118.95 117.93 2dad s ARG 85 Ca 0.20 0.14 -0.27 0.00 -0.13 0.00 0.00 55.73 55.67 2dad s ARG 85 Cb -0.06 -1.29 0.03 0.00 -1.56 0.00 0.00 34.95 32.08 2dad s ARG 85 CO 0.09 -0.57 1.16 0.12 -0.81 0.00 0.00 175.30 175.29 2dad s PHE 86 N 2.21 2.60 -0.54 5.12 5.36 -1.26 -1.30 117.98 130.17 2dad s PHE 86 Ca 0.04 0.28 -0.19 0.00 -0.96 0.00 0.00 56.93 56.09 2dad s PHE 86 Cb -0.15 -4.45 0.07 0.00 -0.34 0.00 0.00 43.02 38.16 2dad s PHE 86 CO -0.09 -1.60 0.66 0.42 -1.46 0.00 0.00 175.22 173.15 2dad s ILE 87 N 4.86 4.85 -0.41 3.12 1.09 -0.71 -5.00 121.20 129.00 2dad s ILE 87 Ca 0.40 -0.67 -0.29 0.00 -1.10 0.00 0.00 60.65 58.99 2dad s ILE 87 Cb -0.08 -4.37 -0.08 0.00 -1.06 0.00 0.00 42.46 36.86 2dad s ILE 87 CO 0.23 -0.93 2.34 -1.54 -0.10 0.00 0.00 174.94 174.94 2dad n SER 88 N 6.25 2.47 0.00 3.58 3.41 -1.26 -2.66 113.62 125.40 2dad n SER 88 Ca -0.08 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2dad n SER 88 Cb 0.44 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 2dad n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dad n GLY 89 N 6.06 -0.33 0.00 5.00 0.00 -1.26 -4.30 105.19 110.36 2dad n GLY 89 Ca 0.37 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.47 2dad n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dad n PRO 90 N -1.97 0.49 -5.04 1.61 -0.04 -1.26 -4.62 135.00 124.17 2dad n PRO 90 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2dad n PRO 90 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.80 2dad n PRO 90 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dad s SER 91 N -2.00 2.64 -0.54 3.54 0.01 -1.26 -5.09 113.70 111.00 2dad s SER 91 Ca 0.23 -0.45 -0.28 0.00 1.31 0.00 0.00 55.95 56.76 2dad s SER 91 Cb 0.11 -0.95 0.02 0.00 0.21 0.00 0.00 66.02 65.41 2dad s SER 91 CO 0.18 0.16 1.35 -0.44 0.41 0.00 0.00 173.24 174.90 2dad s SER 92 N 0.16 6.26 0.00 2.44 0.01 -1.26 -4.71 113.70 116.60 2dad s SER 92 Ca -0.10 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2dad s SER 92 Cb -0.15 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2dad s SER 92 CO 0.05 -1.59 0.00 0.61 0.41 0.00 0.00 173.24 172.71