#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 -0.02 -5.12 1.61 0.87 -2.01 -3.49 113.55 105.39 2dad h SER 2 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2dad h SER 2 Cb 0.00 0.01 -0.12 0.00 -0.44 0.00 0.00 62.40 61.84 2dad h SER 2 CO 0.00 0.44 -0.13 -0.44 -0.53 0.00 0.00 176.83 176.17 2dad s SER 3 N -5.33 -0.15 -0.35 6.23 0.01 -1.26 -5.09 113.70 107.76 2dad s SER 3 Ca -0.00 -0.48 0.15 0.00 1.31 0.00 0.00 55.95 56.93 2dad s SER 3 Cb 0.00 0.47 0.43 0.00 0.21 0.00 0.00 66.02 67.14 2dad s SER 3 CO 0.01 -0.88 0.93 0.61 0.41 0.00 0.00 173.24 174.32 2dad n GLY 4 N -0.23 2.46 3.37 3.44 0.00 -1.25 -4.17 105.19 108.81 2dad n GLY 4 Ca -0.13 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.06 -4.31 -3.74 1.61 3.41 -1.26 -0.89 113.62 108.38 2dad n SER 5 Ca 0.16 -0.42 -0.25 0.00 -0.26 0.00 0.00 58.87 58.10 2dad n SER 5 Cb 0.77 -3.53 0.04 0.00 -0.26 0.00 0.00 64.21 61.23 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 -2.40 -3.39 -2.99 4.04 2.88 -1.26 -4.85 113.62 105.65 2dad n SER 6 Ca -0.03 -0.74 -0.27 0.00 -1.33 0.00 0.00 58.87 56.49 2dad n SER 6 Cb 0.55 -4.24 0.01 0.00 -0.75 0.00 0.00 64.21 59.79 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 -1.64 -2.50 3.49 0.46 0.00 -0.07 -4.95 105.19 99.97 2dad n GLY 7 Ca -0.12 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.86 1.04 0.07 1.61 0.74 -0.31 -4.73 119.66 117.21 2dad s GLN 8 Ca 0.38 -0.14 0.06 0.00 0.05 0.00 0.00 55.36 55.71 2dad s GLN 8 Cb -0.31 0.48 -0.03 0.00 1.10 0.00 0.00 33.01 34.26 2dad s GLN 8 CO 0.50 -0.40 -0.15 -1.50 -0.55 0.00 0.00 175.29 173.18 2dad s ILE 9 N -2.53 1.23 -0.24 -2.34 2.07 -0.72 -1.84 121.20 116.82 2dad s ILE 9 Ca -0.02 -1.25 -0.00 0.00 -1.41 0.00 0.00 60.65 57.96 2dad s ILE 9 Cb -0.01 -1.14 0.07 0.00 0.13 0.00 0.00 42.46 41.51 2dad s ILE 9 CO -0.03 -0.12 0.01 -2.28 -1.91 0.00 0.00 174.94 170.61 2dad s HIS 10 N -1.12 1.93 0.19 3.50 5.65 0.08 -1.60 115.29 123.92 2dad s HIS 10 Ca 0.01 -1.56 -0.03 0.00 0.25 0.00 0.00 55.06 53.73 2dad s HIS 10 Cb -0.09 -1.52 -0.05 0.00 -1.18 0.00 0.00 32.58 29.73 2dad s HIS 10 CO 0.02 -0.76 0.40 -0.51 -0.65 0.00 0.00 174.74 173.25 2dad s LEU 11 N 1.55 4.22 -0.11 8.88 2.01 0.12 0.64 118.68 135.98 2dad s LEU 11 Ca -0.00 0.51 -0.01 0.00 0.01 0.00 0.00 54.13 54.63 2dad s LEU 11 Cb -0.18 -3.27 0.03 0.00 0.01 0.00 0.00 46.19 42.79 2dad s LEU 11 CO -0.11 -0.03 -0.01 -0.36 1.01 0.00 0.00 176.35 176.86 2dad s PHE 12 N -1.82 0.93 0.22 0.29 0.40 -0.49 -1.01 117.98 116.50 2dad s PHE 12 Ca 0.40 -0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 56.17 2dad s PHE 12 Cb -0.11 -0.95 0.29 0.00 0.51 0.00 0.00 43.02 42.77 2dad s PHE 12 CO 0.27 -0.43 1.64 0.66 0.70 0.00 0.00 175.22 178.06 2dad h SER 13 N 8.28 -0.45 -2.81 1.36 4.64 -1.01 -2.75 113.55 120.80 2dad h SER 13 Ca -0.21 0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 60.77 2dad h SER 13 Cb 1.12 0.35 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 2dad h SER 13 CO 0.31 -0.18 -0.30 -1.61 -0.87 0.00 0.00 176.83 174.17 2dad s GLU 14 N -6.19 3.52 0.85 4.77 0.41 -0.94 -3.06 118.70 118.06 2dad s GLU 14 Ca -0.14 -0.34 -0.11 0.00 -0.41 0.00 0.00 54.97 53.97 2dad s GLU 14 Cb 0.20 -2.80 0.10 0.00 -1.78 0.00 0.00 34.13 29.85 2dad s GLU 14 CO 0.74 0.35 1.09 -1.25 -0.49 0.00 0.00 175.26 175.70 2dad s PRO 15 N -3.53 1.66 -1.23 0.39 0.04 -1.26 -2.98 135.00 128.08 2dad s PRO 15 Ca 0.39 0.97 -0.02 0.00 0.04 0.00 0.00 61.00 62.38 2dad s PRO 15 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2dad s PRO 15 CO 0.30 -2.00 0.20 1.04 0.04 0.00 0.00 177.00 176.58 2dad n GLN 16 N -3.74 -2.29 -3.79 4.56 6.02 0.38 -2.67 117.38 115.86 2dad n GLN 16 Ca 0.08 0.71 -0.26 0.00 -0.01 0.00 0.00 57.00 57.52 2dad n GLN 16 Cb 0.54 -5.06 0.03 0.00 1.02 0.00 0.00 30.24 26.78 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 -4.09 -2.16 -4.63 1.08 3.72 -1.25 -4.98 117.46 105.15 2dad n PHE 17 Ca -0.14 0.88 -0.32 0.00 -0.05 0.00 0.00 57.45 57.83 2dad n PHE 17 Cb 0.62 -4.25 -0.07 0.00 -0.94 0.00 0.00 39.48 34.84 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 -6.29 2.20 2.79 -1.08 -1.52 -1.09 -5.05 119.66 109.62 2dad s GLN 18 Ca 0.34 -2.33 0.00 0.00 -1.95 0.00 0.00 55.36 51.42 2dad s GLN 18 Cb -0.17 -1.62 0.00 0.00 -0.22 0.00 0.00 33.01 31.00 2dad s GLN 18 CO 0.81 -0.38 0.00 0.41 -0.25 0.00 0.00 175.29 175.88 2dad n GLY 19 N -1.32 0.51 3.48 3.09 0.00 -1.26 -2.21 105.19 107.47 2dad n GLY 19 Ca -0.16 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.20 -0.66 -3.77 1.61 8.25 -1.26 -4.73 115.22 114.46 2dad n HIS 20 Ca 0.00 0.34 -0.13 0.00 -0.26 0.00 0.00 57.72 57.67 2dad n HIS 20 Cb 0.00 -1.92 -0.12 0.00 1.12 0.00 0.00 29.99 29.07 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 -1.59 -0.28 -0.01 0.41 1.04 -1.26 -0.63 113.70 111.39 2dad s SER 21 Ca 0.65 0.53 0.01 0.00 0.48 0.00 0.00 55.95 57.63 2dad s SER 21 Cb -0.33 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2dad s SER 21 CO 0.58 -0.11 -0.03 -1.10 0.98 0.00 0.00 173.24 173.56 2dad s GLN 22 N 0.43 0.34 0.01 4.02 -0.21 -0.18 -4.99 119.66 119.09 2dad s GLN 22 Ca -0.02 -0.10 0.08 0.00 0.02 0.00 0.00 55.36 55.33 2dad s GLN 22 Cb -0.04 -0.36 -0.02 0.00 1.00 0.00 0.00 33.01 33.59 2dad s GLN 22 CO -0.02 0.04 -0.25 -1.54 -2.12 0.00 0.00 175.29 171.40 2dad s SER 23 N 0.13 2.97 -0.03 5.90 1.04 -1.26 0.10 113.70 122.56 2dad s SER 23 Ca -0.01 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 55.94 2dad s SER 23 Cb -0.04 -0.30 -0.00 0.00 0.10 0.00 0.00 66.02 65.78 2dad s SER 23 CO -0.00 0.27 -0.13 -0.36 0.98 0.00 0.00 173.24 173.99 2dad s PHE 24 N -0.70 1.30 -0.15 5.02 0.08 -0.63 -4.98 117.98 117.92 2dad s PHE 24 Ca 0.10 -0.32 0.11 0.00 0.12 0.00 0.00 56.93 56.93 2dad s PHE 24 Cb -0.10 -0.88 -0.17 0.00 -0.57 0.00 0.00 43.02 41.30 2dad s PHE 24 CO 0.01 -0.10 0.01 0.39 -0.10 0.00 0.00 175.22 175.42 2dad n GLU 25 N 3.08 1.39 -3.91 0.44 4.71 -1.26 -1.76 120.64 123.33 2dad n GLU 25 Ca -0.17 0.02 -0.21 0.00 -0.01 0.00 0.00 57.16 56.78 2dad n GLU 25 Cb 0.54 -1.37 -0.04 0.00 -1.01 0.00 0.00 31.44 29.56 2dad n GLU 25 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2dad s GLU 26 N -2.36 2.84 -0.40 3.49 -1.05 -1.26 -4.76 118.70 115.21 2dad s GLU 26 Ca -0.11 -1.18 -0.27 0.00 -0.15 0.00 0.00 54.97 53.27 2dad s GLU 26 Cb 0.05 -2.54 -0.06 0.00 -0.44 0.00 0.00 34.13 31.14 2dad s GLU 26 CO 0.56 0.21 2.34 0.99 0.95 0.00 0.00 175.26 180.31 2dad s THR 27 N -2.23 3.01 0.33 1.83 2.01 -1.26 -4.82 115.64 114.52 2dad s THR 27 Ca 0.38 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.26 2dad s THR 27 Cb -0.07 -3.03 -0.08 0.00 0.01 0.00 0.00 72.50 69.33 2dad s THR 27 CO 0.26 -0.03 0.73 -0.89 -0.69 0.00 0.00 174.62 174.01 2dad s THR 28 N 10.85 4.72 -0.01 -0.82 2.01 -1.13 -4.93 115.64 126.32 2dad s THR 28 Ca 0.98 0.84 0.02 0.00 0.31 0.00 0.00 61.69 63.84 2dad s THR 28 Cb -0.22 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 2dad s THR 28 CO 0.29 -0.25 0.02 -0.24 -0.69 0.00 0.00 174.62 173.75 2dad n SER 29 N -0.56 4.49 -3.95 3.53 2.88 -1.26 0.29 113.62 119.04 2dad n SER 29 Ca 0.03 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.38 2dad n SER 29 Cb 0.53 0.77 -0.16 0.00 -0.75 0.00 0.00 64.21 64.60 2dad n SER 29 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2dad s GLN 30 N -2.09 0.80 0.15 -1.46 -0.21 -1.05 -3.43 119.66 112.37 2dad s GLN 30 Ca -0.01 -0.20 -0.14 0.00 0.02 0.00 0.00 55.36 55.03 2dad s GLN 30 Cb 0.01 -0.78 -0.07 0.00 1.00 0.00 0.00 33.01 33.17 2dad s GLN 30 CO 0.09 0.03 0.56 0.42 -2.12 0.00 0.00 175.29 174.26 2dad s ILE 31 N 0.44 4.85 -0.65 1.08 -1.09 -0.31 -4.92 121.20 120.60 2dad s ILE 31 Ca -0.06 0.85 -0.30 0.00 -2.23 0.00 0.00 60.65 58.91 2dad s ILE 31 Cb -0.10 -3.74 -0.13 0.00 -1.58 0.00 0.00 42.46 36.91 2dad s ILE 31 CO 0.00 0.24 2.47 0.47 -1.23 0.00 0.00 174.94 176.90 2dad n ASP 32 N 0.80 1.54 -2.68 3.58 8.00 -1.26 -0.37 116.55 126.16 2dad n ASP 32 Ca -0.05 -0.07 -0.20 0.00 0.71 0.00 0.00 54.79 55.17 2dad n ASP 32 Cb 0.52 -1.28 0.01 0.00 -0.02 0.00 0.00 41.12 40.34 2dad n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2dad n ASP 33 N 12.74 -5.38 -3.88 -2.24 2.03 -1.26 -1.68 116.55 116.88 2dad n ASP 33 Ca 0.48 -0.09 -0.30 0.00 0.52 0.00 0.00 54.79 55.40 2dad n ASP 33 Cb 0.29 -4.45 -0.03 0.00 -0.72 0.00 0.00 41.12 36.22 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2dad n SER 34 N -2.15 -2.79 -4.64 1.67 3.41 0.51 -4.77 113.62 104.84 2dad n SER 34 Ca -0.17 -0.73 -0.47 0.00 -0.26 0.00 0.00 58.87 57.25 2dad n SER 34 Cb 0.64 -2.34 -0.04 0.00 -0.26 0.00 0.00 64.21 62.20 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 -3.96 2.24 -0.79 7.33 1.16 -0.68 -4.91 117.46 117.86 2dad n PHE 35 Ca 0.06 -0.07 -0.33 0.00 -1.87 0.00 0.00 57.45 55.24 2dad n PHE 35 Cb 0.49 -2.69 0.12 0.00 -1.61 0.00 0.00 39.48 35.80 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 7.84 -2.11 -3.60 5.98 3.41 -1.26 -4.81 113.62 119.07 2dad n SER 36 Ca 0.25 0.30 -0.16 0.00 -0.26 0.00 0.00 58.87 58.99 2dad n SER 36 Cb 0.33 -1.19 -0.14 0.00 -0.26 0.00 0.00 64.21 62.95 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 -2.39 -0.33 -0.08 6.66 2.01 -1.26 -4.02 115.64 116.24 2dad s THR 37 Ca 0.57 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.77 2dad s THR 37 Cb -0.20 -0.48 -0.25 0.00 0.01 0.00 0.00 72.50 71.58 2dad s THR 37 CO 0.67 0.01 0.53 0.29 -0.69 0.00 0.00 174.62 175.43 2dad n LYS 38 N 5.33 0.69 -4.31 4.92 5.02 -1.04 -4.89 118.16 123.88 2dad n LYS 38 Ca -0.05 0.28 -0.18 0.00 -2.02 0.00 0.00 58.31 56.33 2dad n LYS 38 Cb 0.50 -1.76 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 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 -6.52 2.37 0.17 4.39 1.04 -1.20 -2.22 113.70 111.72 2dad s SER 39 Ca -0.13 -0.95 -0.08 0.00 0.48 0.00 0.00 55.95 55.27 2dad s SER 39 Cb 0.07 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 2dad s SER 39 CO 0.80 -0.16 0.27 0.00 0.98 0.00 0.00 173.24 175.12 2dad s ARG 41 N -3.98 0.09 -0.13 0.00 3.52 0.21 -2.35 118.95 116.31 2dad s ARG 41 Ca 0.18 -0.15 -0.20 0.00 -0.13 0.00 0.00 55.73 55.44 2dad s ARG 41 Cb 0.04 -1.75 -0.04 0.00 -1.56 0.00 0.00 34.95 31.64 2dad s ARG 41 CO 0.01 -0.72 0.56 0.08 -0.81 0.00 0.00 175.30 174.42 2dad s VAL 42 N 2.13 5.12 -0.26 7.11 1.01 -1.17 -0.74 120.40 133.60 2dad s VAL 42 Ca 0.03 1.11 -0.04 0.00 0.00 0.00 0.00 61.98 63.08 2dad s VAL 42 Cb -0.16 -3.89 0.09 0.00 0.00 0.00 0.00 36.38 32.42 2dad s VAL 42 CO -0.13 0.25 0.13 -0.55 0.00 0.00 0.00 175.10 174.81 2dad s SER 43 N 0.83 3.10 0.00 3.32 0.15 -0.77 -2.26 113.70 118.07 2dad s SER 43 Ca 0.29 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.87 2dad s SER 43 Cb -0.16 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 2dad s SER 43 CO 0.12 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2dad n GLY 44 N 5.26 0.43 0.00 9.45 0.00 -1.26 -1.16 105.19 117.90 2dad n GLY 44 Ca -0.06 -0.55 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 -0.20 -0.33 3.85 -0.02 0.00 -1.26 -3.65 105.19 103.57 2dad n GLY 45 Ca 0.00 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.10 5.08 -0.01 1.61 0.01 -0.89 -4.56 113.70 112.84 2dad s SER 46 Ca 0.00 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.49 2dad s SER 46 Cb 0.00 -2.01 0.01 0.00 0.21 0.00 0.00 66.02 64.23 2dad s SER 46 CO 0.00 -1.58 0.00 0.26 0.41 0.00 0.00 173.24 172.33 2dad s TRP 47 N -3.26 0.09 -0.15 2.43 0.52 -0.90 0.06 118.94 117.73 2dad s TRP 47 Ca 0.59 0.02 -0.06 0.00 0.02 0.00 0.00 56.10 56.68 2dad s TRP 47 Cb -0.12 -0.14 -0.04 0.00 -1.15 0.00 0.00 33.47 32.02 2dad s TRP 47 CO 0.53 -0.04 0.05 0.08 0.02 0.00 0.00 176.95 177.59 2dad s VAL 48 N 0.37 4.70 -0.18 4.03 1.01 -0.79 -0.03 120.40 129.51 2dad s VAL 48 Ca -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2dad s VAL 48 Cb -0.05 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2dad s VAL 48 CO -0.01 0.51 -0.19 0.68 0.00 0.00 0.00 175.10 176.09 2dad s VAL 49 N -0.08 2.11 -0.18 2.92 -7.23 -0.61 -1.67 120.40 115.67 2dad s VAL 49 Ca 0.06 -0.95 -0.08 0.00 -1.81 0.00 0.00 61.98 59.20 2dad s VAL 49 Cb -0.12 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 2dad s VAL 49 CO 0.01 0.51 0.07 -0.31 -0.31 0.00 0.00 175.10 175.08 2dad s TYR 50 N 1.29 3.29 0.04 2.82 1.51 -0.75 -1.94 117.35 123.61 2dad s TYR 50 Ca 0.04 0.14 0.31 0.00 -1.01 0.00 0.00 57.07 56.56 2dad s TYR 50 Cb -0.13 -2.07 1.51 0.00 -0.11 0.00 0.00 41.96 41.16 2dad s TYR 50 CO -0.12 0.22 1.95 0.38 -1.11 0.00 0.00 175.55 176.86 2dad h ASP 51 N 6.52 0.00 -2.13 2.29 3.04 -1.75 0.25 116.42 124.64 2dad h ASP 51 Ca -0.39 0.00 -0.49 0.00 -3.24 0.00 0.00 57.03 52.90 2dad h ASP 51 Cb 1.17 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.42 2dad h ASP 51 CO 0.70 0.00 -0.50 -0.83 -2.04 0.00 0.00 179.24 176.58 2dad s GLY 52 N -3.87 1.44 0.57 7.15 0.00 -1.11 -4.39 107.32 107.11 2dad s GLY 52 Ca -0.01 -1.43 -0.14 0.00 0.00 0.00 0.00 44.72 43.14 2dad s GLY 52 CO 0.39 -1.44 1.02 -0.54 0.00 0.00 0.00 173.10 172.52 2dad s GLU 53 N -3.89 3.67 -1.48 2.90 0.41 -1.26 -3.59 118.70 115.46 2dad s GLU 53 Ca 0.35 0.93 -0.02 0.00 -0.41 0.00 0.00 54.97 55.82 2dad s GLU 53 Cb -0.08 -2.09 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 2dad s GLU 53 CO 0.26 -0.51 0.24 0.09 -0.49 0.00 0.00 175.26 174.85 2dad n ASN 54 N -2.12 -5.44 -3.66 -0.19 3.02 -1.22 -2.38 115.26 103.27 2dad n ASN 54 Ca 0.07 -0.12 -0.23 0.00 -0.03 0.00 0.00 54.58 54.27 2dad n ASN 54 Cb 0.54 -4.40 0.06 0.00 -0.61 0.00 0.00 39.78 35.36 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 -4.17 -2.28 -3.72 3.10 3.01 -1.25 -5.00 117.46 107.15 2dad n PHE 55 Ca -0.17 0.92 -0.22 0.00 1.01 0.00 0.00 57.45 58.99 2dad n PHE 55 Cb 0.64 -4.62 -0.04 0.00 -0.01 0.00 0.00 39.48 35.45 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 -3.44 2.53 0.00 4.37 -4.23 -1.00 -5.00 115.64 108.87 2dad s THR 56 Ca 0.27 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 2dad s THR 56 Cb -0.13 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.75 2dad s THR 56 CO 0.78 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.47 2dad n GLY 57 N -1.48 0.76 3.95 3.99 0.00 -1.26 -2.73 105.19 108.42 2dad n GLY 57 Ca 0.02 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 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 5.06 -0.05 1.61 0.01 -1.26 -4.99 114.94 111.32 2dad s ASN 58 Ca 0.00 0.27 -0.03 0.00 -0.71 0.00 0.00 52.86 52.39 2dad s ASN 58 Cb 0.00 -1.04 0.02 0.00 0.41 0.00 0.00 41.25 40.64 2dad s ASN 58 CO 0.00 -1.37 0.12 0.00 -1.51 0.00 0.00 177.10 174.34 2dad s GLN 59 N -5.02 0.10 -0.21 -0.60 -2.07 -1.26 -3.61 119.66 106.98 2dad s GLN 59 Ca 0.58 0.25 -0.01 0.00 -1.82 0.00 0.00 55.36 54.36 2dad s GLN 59 Cb -0.11 -0.07 0.06 0.00 -1.09 0.00 0.00 33.01 31.80 2dad s GLN 59 CO 0.42 -0.09 -0.02 0.71 -1.32 0.00 0.00 175.29 174.99 2dad s TYR 60 N 0.63 1.76 0.78 9.60 1.51 -0.82 -4.93 117.35 125.89 2dad s TYR 60 Ca -0.05 -1.32 -0.11 0.00 -1.01 0.00 0.00 57.07 54.57 2dad s TYR 60 Cb -0.06 -1.32 0.06 0.00 -0.11 0.00 0.00 41.96 40.52 2dad s TYR 60 CO -0.03 -0.69 1.09 0.14 -1.11 0.00 0.00 175.55 174.95 2dad s VAL 61 N 1.61 3.23 -0.05 0.71 -7.23 -1.26 -1.57 120.40 115.85 2dad s VAL 61 Ca -0.03 0.40 -0.02 0.00 -1.81 0.00 0.00 61.98 60.52 2dad s VAL 61 Cb -0.18 -3.13 0.03 0.00 0.56 0.00 0.00 36.38 33.66 2dad s VAL 61 CO -0.07 -0.52 0.08 -0.76 -0.31 0.00 0.00 175.10 173.52 2dad s LEU 62 N -5.75 0.37 0.55 1.32 1.43 0.95 -4.92 118.68 112.63 2dad s LEU 62 Ca 0.60 0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.69 2dad s LEU 62 Cb -0.14 0.01 -0.06 0.00 0.03 0.00 0.00 46.19 46.02 2dad s LEU 62 CO 0.54 -0.21 1.01 -1.61 0.23 0.00 0.00 176.35 176.31 2dad s GLU 63 N 1.84 3.76 0.18 1.70 2.02 -1.26 -2.11 118.70 124.83 2dad s GLU 63 Ca -0.00 0.96 -0.33 0.00 0.02 0.00 0.00 54.97 55.62 2dad s GLU 63 Cb -0.12 -2.11 -0.12 0.00 0.10 0.00 0.00 34.13 31.88 2dad s GLU 63 CO -0.04 -0.43 1.69 -1.91 0.02 0.00 0.00 175.26 174.59 2dad n GLU 64 N -1.89 2.59 -2.87 1.61 0.00 -1.26 -4.60 120.64 114.21 2dad n GLU 64 Ca 0.07 0.93 0.00 0.00 0.00 0.00 0.00 57.16 58.16 2dad n GLU 64 Cb 0.54 -2.76 0.00 0.00 0.00 0.00 0.00 31.44 29.22 2dad n GLU 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dad n GLY 65 N 3.83 -0.34 3.11 8.31 0.00 -0.96 -4.98 105.19 114.16 2dad n GLY 65 Ca 0.17 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.20 2.51 -0.36 1.61 -3.43 -1.26 -3.04 115.29 108.12 2dad s HIS 66 Ca 0.00 -1.35 0.00 0.00 -0.80 0.00 0.00 55.06 52.91 2dad s HIS 66 Cb 0.00 -1.75 0.09 0.00 -1.43 0.00 0.00 32.58 29.50 2dad s HIS 66 CO 0.00 -0.66 0.10 0.71 -2.00 0.00 0.00 174.74 172.89 2dad s TYR 67 N 1.10 3.59 0.22 0.38 2.02 -0.99 -4.96 117.35 118.70 2dad s TYR 67 Ca -0.01 -2.54 -0.01 0.00 -0.37 0.00 0.00 57.07 54.13 2dad s TYR 67 Cb -0.14 -2.88 0.21 0.00 -0.40 0.00 0.00 41.96 38.75 2dad s TYR 67 CO -0.07 -0.93 1.58 -1.00 -1.57 0.00 0.00 175.55 173.56 2dad h PRO 68 N 7.87 0.55 -4.72 -1.71 0.13 -1.93 -2.82 132.00 129.36 2dad h PRO 68 Ca -0.11 -0.29 -0.29 0.00 -0.87 0.00 0.00 66.00 64.44 2dad h PRO 68 Cb 1.04 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.03 2dad h PRO 68 CO 0.60 0.87 -0.62 0.00 -0.23 0.00 0.00 178.00 178.62 2dad h LEU 70 N 2.51 0.46 -0.93 0.00 3.38 -1.77 -3.19 115.31 115.78 2dad h LEU 70 Ca -0.37 -0.33 0.15 0.00 0.09 0.00 0.00 57.88 57.42 2dad h LEU 70 Cb 1.25 -0.13 -0.15 0.00 0.09 0.00 0.00 40.66 41.72 2dad h LEU 70 CO 0.56 0.68 -0.34 -0.24 0.09 0.00 0.00 178.44 179.19 2dad n SER 71 N -4.59 -0.56 -0.23 -0.43 2.88 -1.26 0.18 113.62 109.60 2dad n SER 71 Ca -0.03 1.62 0.05 0.00 -1.33 0.00 0.00 58.87 59.17 2dad n SER 71 Cb 0.27 -0.39 0.30 0.00 -0.75 0.00 0.00 64.21 63.64 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 1.37 1.60 0.00 -1.46 0.00 -1.92 -0.85 119.26 118.00 2dad h ALA 72 Ca 0.34 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 2dad h ALA 72 Cb 0.57 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2dad h ALA 72 CO -0.93 0.28 -0.56 0.52 0.00 0.00 0.00 179.25 178.56 2dad h MET 73 N 0.89 0.00 0.00 0.00 2.07 0.19 -3.47 114.93 114.60 2dad h MET 73 Ca 0.34 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.97 2dad h MET 73 Cb 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.92 2dad h MET 73 CO -0.11 0.56 0.00 0.41 1.07 0.00 0.00 176.91 178.84 2dad n GLY 74 N 0.49 2.16 3.62 8.32 0.00 0.14 -5.01 105.19 114.92 2dad n GLY 74 Ca -0.00 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.29 1.76 -1.07 0.00 0.04 -1.26 -4.18 135.00 128.00 2dad s PRO 76 Ca 0.67 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 62.47 2dad s PRO 76 Cb -0.50 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 2dad s PRO 76 CO 0.54 -1.94 1.94 -1.25 0.04 0.00 0.00 177.00 176.33 2dad s PRO 77 N -4.92 2.52 0.00 0.56 0.04 -1.26 -3.27 135.00 128.66 2dad s PRO 77 Ca 0.62 -0.83 0.00 0.00 0.04 0.00 0.00 61.00 60.84 2dad s PRO 77 Cb -0.17 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2dad s PRO 77 CO 0.56 -3.75 0.00 0.41 0.04 0.00 0.00 177.00 174.27 2dad n GLY 78 N 6.22 0.28 3.39 0.56 0.00 -1.26 -5.14 105.19 109.23 2dad n GLY 78 Ca 0.43 0.00 -0.35 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 -0.32 2.97 -0.36 4.61 0.00 -1.20 -5.08 121.76 122.38 2dad s ALA 79 Ca 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 2dad s ALA 79 Cb 0.00 -1.81 0.06 0.00 0.00 0.00 0.00 23.12 21.37 2dad s ALA 79 CO 0.00 -0.33 0.13 0.99 0.00 0.00 0.00 175.76 176.54 2dad s THR 80 N 1.32 3.56 0.29 0.00 2.01 -1.26 -4.43 115.64 117.13 2dad s THR 80 Ca 0.04 -1.43 -0.29 0.00 0.31 0.00 0.00 61.69 60.32 2dad s THR 80 Cb -0.15 -3.14 -0.10 0.00 0.01 0.00 0.00 72.50 69.12 2dad s THR 80 CO 0.00 -0.32 1.33 -0.36 -0.69 0.00 0.00 174.62 174.58 2dad s PHE 81 N 1.32 3.09 -0.02 4.92 0.08 -1.26 -4.40 117.98 121.70 2dad s PHE 81 Ca 0.00 1.31 0.02 0.00 0.12 0.00 0.00 56.93 58.38 2dad s PHE 81 Cb -0.21 -3.69 -0.02 0.00 -0.57 0.00 0.00 43.02 38.53 2dad s PHE 81 CO 0.00 -2.00 0.01 1.63 -0.10 0.00 0.00 175.22 174.76 2dad n LYS 82 N 1.43 3.56 -4.10 0.44 5.02 0.06 -4.71 118.16 119.87 2dad n LYS 82 Ca 0.02 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.17 2dad n LYS 82 Cb 0.42 -1.05 -0.12 0.00 -0.02 0.00 0.00 35.03 34.26 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 -3.28 1.01 0.24 4.39 1.04 -1.12 -1.16 113.70 114.82 2dad s SER 83 Ca -0.01 -0.53 0.09 0.00 0.48 0.00 0.00 55.95 55.98 2dad s SER 83 Cb 0.01 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 2dad s SER 83 CO 0.08 -0.16 -0.15 -0.76 0.98 0.00 0.00 173.24 173.24 2dad s LEU 84 N -1.50 2.57 -0.23 2.42 1.43 0.14 -1.81 118.68 121.70 2dad s LEU 84 Ca -0.07 -1.05 -0.03 0.00 -1.03 0.00 0.00 54.13 51.94 2dad s LEU 84 Cb -0.09 -0.82 0.12 0.00 0.03 0.00 0.00 46.19 45.43 2dad s LEU 84 CO 0.01 -0.13 0.33 -0.60 0.23 0.00 0.00 176.35 176.19 2dad s ARG 85 N -3.61 0.30 -0.27 1.70 3.52 -0.67 -2.86 118.95 117.06 2dad s ARG 85 Ca 0.26 0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 56.02 2dad s ARG 85 Cb -0.01 -0.68 -0.02 0.00 -1.56 0.00 0.00 34.95 32.67 2dad s ARG 85 CO 0.10 -0.64 1.72 0.12 -0.81 0.00 0.00 175.30 175.80 2dad s PHE 86 N 2.48 1.92 -0.51 5.12 5.36 -1.26 -1.88 117.98 129.21 2dad s PHE 86 Ca 0.11 0.55 -0.20 0.00 -0.96 0.00 0.00 56.93 56.44 2dad s PHE 86 Cb -0.15 -4.07 0.06 0.00 -0.34 0.00 0.00 43.02 38.51 2dad s PHE 86 CO -0.15 -3.03 0.65 0.42 -1.46 0.00 0.00 175.22 171.66 2dad s ILE 87 N 6.06 4.84 -0.49 3.12 1.01 0.11 -5.00 121.20 130.84 2dad s ILE 87 Ca 0.76 -0.43 -0.27 0.00 0.00 0.00 0.00 60.65 60.72 2dad s ILE 87 Cb -0.24 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.86 2dad s ILE 87 CO 0.32 -0.83 2.14 -0.44 0.00 0.00 0.00 174.94 176.13 2dad s SER 88 N 2.70 4.96 0.00 3.58 0.01 -1.26 -2.10 113.70 121.60 2dad s SER 88 Ca 0.16 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.36 2dad s SER 88 Cb -0.19 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2dad s SER 88 CO 0.12 -2.50 0.00 0.61 0.41 0.00 0.00 173.24 171.88 2dad n GLY 89 N 5.82 0.91 0.23 3.44 0.00 -1.26 -4.88 105.19 109.45 2dad n GLY 89 Ca 0.29 -0.50 0.16 0.00 0.00 0.00 0.00 46.02 45.96 2dad n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dad h PRO 90 N 0.00 0.00 -6.05 1.61 0.13 -1.97 -3.44 132.00 122.28 2dad h PRO 90 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 2dad h PRO 90 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dad h PRO 90 CO 0.00 0.00 1.31 0.43 -0.23 0.00 0.00 178.00 179.51 2dad n SER 91 N -2.81 2.46 -3.60 1.44 7.64 -1.26 -4.92 113.62 112.57 2dad n SER 91 Ca 0.01 0.56 -0.09 0.00 1.01 0.00 0.00 58.87 60.36 2dad n SER 91 Cb 0.27 -1.29 -0.10 0.00 -1.01 0.00 0.00 64.21 62.09 2dad n SER 91 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dad s SER 92 N 6.45 -0.06 0.00 6.43 1.04 -1.26 -3.80 113.70 122.49 2dad s SER 92 Ca 1.05 0.79 0.00 0.00 0.48 0.00 0.00 55.95 58.27 2dad s SER 92 Cb -0.81 1.20 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2dad s SER 92 CO 0.50 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.09