#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dad s SER 2 N 0.00 6.93 0.06 1.61 0.15 -1.26 -4.94 113.70 116.24 2dad s SER 2 Ca 0.00 2.08 -0.13 0.00 0.70 0.00 0.00 55.95 58.60 2dad s SER 2 Cb 0.00 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2dad s SER 2 CO 0.00 -0.63 1.22 -1.28 1.20 0.00 0.00 173.24 173.75 2dad h SER 3 N 7.37 -0.81 0.00 5.45 0.87 -1.98 -3.46 113.55 120.99 2dad h SER 3 Ca -0.39 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2dad h SER 3 Cb 1.19 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2dad h SER 3 CO 0.87 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.66 2dad n GLY 4 N -1.12 0.41 3.83 5.77 0.00 -1.26 -3.36 105.19 109.45 2dad n GLY 4 Ca -0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 2dad n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dad n SER 5 N 0.00 -4.84 -3.70 1.61 3.41 -1.26 -1.03 113.62 107.82 2dad n SER 5 Ca 0.00 -0.72 -0.25 0.00 -0.26 0.00 0.00 58.87 57.64 2dad n SER 5 Cb 0.00 -3.87 0.06 0.00 -0.26 0.00 0.00 64.21 60.14 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 -2.77 -4.64 -1.09 4.04 2.88 -1.26 -4.63 113.62 106.14 2dad n SER 6 Ca 0.03 -0.67 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 2dad n SER 6 Cb 0.53 -4.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.47 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 -1.74 -3.72 3.48 0.46 0.00 -0.19 -4.98 105.19 98.50 2dad n GLY 7 Ca -0.06 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 2dad n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dad s GLN 8 N -4.93 0.92 0.07 1.61 0.74 0.76 -4.79 119.66 114.03 2dad s GLN 8 Ca 0.00 0.35 0.07 0.00 0.05 0.00 0.00 55.36 55.83 2dad s GLN 8 Cb 0.00 0.43 -0.03 0.00 1.10 0.00 0.00 33.01 34.52 2dad s GLN 8 CO 0.00 -0.25 -0.19 -1.50 -0.55 0.00 0.00 175.29 172.81 2dad s ILE 9 N -0.82 1.52 -0.23 -2.34 2.07 -0.81 -1.18 121.20 119.41 2dad s ILE 9 Ca -0.09 -1.32 -0.02 0.00 -1.41 0.00 0.00 60.65 57.82 2dad s ILE 9 Cb -0.02 -1.37 0.07 0.00 0.13 0.00 0.00 42.46 41.27 2dad s ILE 9 CO 0.07 0.01 0.03 -2.28 -1.91 0.00 0.00 174.94 170.85 2dad s HIS 10 N -1.02 1.51 0.20 3.50 5.65 0.73 -0.92 115.29 124.94 2dad s HIS 10 Ca 0.05 -1.27 -0.08 0.00 0.25 0.00 0.00 55.06 54.00 2dad s HIS 10 Cb -0.09 -1.31 -0.07 0.00 -1.18 0.00 0.00 32.58 29.93 2dad s HIS 10 CO 0.03 -0.71 0.50 -0.51 -0.65 0.00 0.00 174.74 173.39 2dad s LEU 11 N 1.69 4.21 -0.15 8.88 2.01 0.72 0.11 118.68 136.15 2dad s LEU 11 Ca 0.00 0.83 -0.02 0.00 0.01 0.00 0.00 54.13 54.95 2dad s LEU 11 Cb -0.18 -3.55 0.05 0.00 0.01 0.00 0.00 46.19 42.53 2dad s LEU 11 CO -0.11 -0.02 0.02 -0.36 1.01 0.00 0.00 176.35 176.88 2dad s PHE 12 N -1.75 0.96 0.31 0.29 0.40 0.33 0.41 117.98 118.92 2dad s PHE 12 Ca 0.45 -0.63 0.05 0.00 -0.60 0.00 0.00 56.93 56.20 2dad s PHE 12 Cb -0.12 -0.97 0.81 0.00 0.51 0.00 0.00 43.02 43.25 2dad s PHE 12 CO 0.22 -0.51 1.62 1.03 0.70 0.00 0.00 175.22 178.28 2dad h SER 13 N 8.26 -0.08 -2.59 1.36 0.87 -0.22 -2.88 113.55 118.28 2dad h SER 13 Ca -0.18 0.23 -0.55 0.00 -1.23 0.00 0.00 61.79 60.06 2dad h SER 13 Cb 1.12 0.33 -0.03 0.00 -0.44 0.00 0.00 62.40 63.38 2dad h SER 13 CO 0.32 -0.25 -0.48 -1.61 -0.53 0.00 0.00 176.83 174.28 2dad s GLU 14 N -5.90 3.40 0.88 2.24 0.41 -1.04 -3.21 118.70 115.49 2dad s GLU 14 Ca -0.12 -0.61 -0.11 0.00 -0.41 0.00 0.00 54.97 53.72 2dad s GLU 14 Cb 0.28 -2.95 0.12 0.00 -1.78 0.00 0.00 34.13 29.80 2dad s GLU 14 CO 0.77 0.52 1.09 -1.25 -0.49 0.00 0.00 175.26 175.91 2dad s PRO 15 N -3.18 1.38 -1.37 0.39 0.04 -1.26 -2.98 135.00 128.02 2dad s PRO 15 Ca 0.34 0.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 2dad s PRO 15 Cb -0.11 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2dad s PRO 15 CO 0.28 -2.17 0.19 1.04 0.04 0.00 0.00 177.00 176.38 2dad n GLN 16 N -3.84 -2.35 -3.76 4.56 6.02 -0.21 -2.55 117.38 115.26 2dad n GLN 16 Ca 0.07 0.79 -0.24 0.00 -0.01 0.00 0.00 57.00 57.61 2dad n GLN 16 Cb 0.55 -5.25 0.03 0.00 1.02 0.00 0.00 30.24 26.59 2dad n GLN 16 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2dad n PHE 17 N -4.12 -2.10 -4.56 1.08 3.72 -1.25 -4.99 117.46 105.24 2dad n PHE 17 Ca -0.16 0.88 -0.31 0.00 -0.05 0.00 0.00 57.45 57.80 2dad n PHE 17 Cb 0.63 -4.31 -0.06 0.00 -0.94 0.00 0.00 39.48 34.80 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 -6.19 2.20 2.79 -1.08 -0.21 -1.06 -5.05 119.66 111.06 2dad s GLN 18 Ca 0.25 -2.30 0.00 0.00 0.02 0.00 0.00 55.36 53.33 2dad s GLN 18 Cb -0.13 -1.66 0.00 0.00 1.00 0.00 0.00 33.01 32.22 2dad s GLN 18 CO 0.81 -0.40 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 2dad n GLY 19 N -1.36 0.90 3.62 3.09 0.00 -1.26 -2.49 105.19 107.69 2dad n GLY 19 Ca -0.15 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.02 0.82 -3.78 1.61 8.25 -1.26 -4.74 115.22 116.10 2dad n HIS 20 Ca 0.00 0.41 -0.13 0.00 -0.26 0.00 0.00 57.72 57.74 2dad n HIS 20 Cb 0.00 -2.12 -0.13 0.00 1.12 0.00 0.00 29.99 28.86 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 -1.45 -0.19 -0.06 0.41 1.04 -1.26 0.37 113.70 112.56 2dad s SER 21 Ca 0.76 0.38 -0.02 0.00 0.48 0.00 0.00 55.95 57.56 2dad s SER 21 Cb -0.38 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.11 2dad s SER 21 CO 0.48 -0.10 0.02 -1.10 0.98 0.00 0.00 173.24 173.51 2dad s GLN 22 N 0.52 0.44 -0.00 4.02 -1.52 0.16 -4.95 119.66 118.34 2dad s GLN 22 Ca -0.04 0.17 0.01 0.00 -1.95 0.00 0.00 55.36 53.55 2dad s GLN 22 Cb -0.05 -0.87 -0.04 0.00 -0.22 0.00 0.00 33.01 31.83 2dad s GLN 22 CO -0.03 -0.31 0.03 -1.54 -0.25 0.00 0.00 175.29 173.19 2dad s SER 23 N 2.02 5.33 -0.01 5.90 1.04 -1.26 -0.20 113.70 126.53 2dad s SER 23 Ca 0.05 0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.58 2dad s SER 23 Cb -0.12 -1.45 -0.01 0.00 0.10 0.00 0.00 66.02 64.54 2dad s SER 23 CO -0.05 0.28 -0.15 -0.36 0.98 0.00 0.00 173.24 173.94 2dad s PHE 24 N -1.13 1.35 -0.14 5.02 0.40 -0.10 -4.97 117.98 118.42 2dad s PHE 24 Ca 0.21 -0.26 0.09 0.00 -0.60 0.00 0.00 56.93 56.36 2dad s PHE 24 Cb -0.12 -0.87 -0.14 0.00 0.51 0.00 0.00 43.02 42.40 2dad s PHE 24 CO 0.11 -0.02 -0.01 0.39 0.70 0.00 0.00 175.22 176.40 2dad n GLU 25 N 2.66 1.51 -4.11 0.44 1.02 -1.26 -1.93 120.64 118.98 2dad n GLU 25 Ca -0.15 0.02 -0.27 0.00 -0.02 0.00 0.00 57.16 56.75 2dad n GLU 25 Cb 0.55 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.58 2dad n GLU 25 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dad s GLU 26 N -2.31 2.77 -0.44 3.49 0.41 -1.26 -4.83 118.70 116.53 2dad s GLU 26 Ca -0.11 -0.90 -0.32 0.00 -0.41 0.00 0.00 54.97 53.23 2dad s GLU 26 Cb 0.04 -2.58 -0.11 0.00 -1.78 0.00 0.00 34.13 29.70 2dad s GLU 26 CO 0.48 0.49 2.29 2.41 -0.49 0.00 0.00 175.26 180.45 2dad n THR 27 N -0.15 0.13 -3.48 3.63 -1.04 -1.26 -4.86 114.28 107.24 2dad n THR 27 Ca -0.09 -0.35 -0.30 0.00 -2.04 0.00 0.00 64.05 61.27 2dad n THR 27 Cb 0.54 -1.81 -0.04 0.00 -1.82 0.00 0.00 70.33 67.19 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 8.51 5.04 -0.01 12.58 2.01 -1.05 -4.94 115.64 137.78 2dad s THR 28 Ca 1.10 0.16 0.02 0.00 0.31 0.00 0.00 61.69 63.28 2dad s THR 28 Cb -0.73 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2dad s THR 28 CO 0.43 -0.13 0.02 -0.24 -0.69 0.00 0.00 174.62 174.02 2dad n SER 29 N -0.36 4.49 -3.97 3.53 2.88 -1.26 0.87 113.62 119.80 2dad n SER 29 Ca -0.01 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.28 2dad n SER 29 Cb 0.53 0.77 -0.17 0.00 -0.75 0.00 0.00 64.21 64.60 2dad n SER 29 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2dad s GLN 30 N -2.09 1.50 0.22 -1.46 0.74 -1.11 -3.55 119.66 113.91 2dad s GLN 30 Ca -0.01 -0.32 -0.19 0.00 0.05 0.00 0.00 55.36 54.90 2dad s GLN 30 Cb 0.01 -1.35 -0.08 0.00 1.10 0.00 0.00 33.01 32.69 2dad s GLN 30 CO 0.09 -0.07 0.70 0.42 -0.55 0.00 0.00 175.29 175.89 2dad s ILE 31 N 0.97 4.61 -0.65 -2.34 -1.09 -0.17 -4.94 121.20 117.60 2dad s ILE 31 Ca -0.09 1.20 -0.30 0.00 -2.23 0.00 0.00 60.65 59.23 2dad s ILE 31 Cb -0.15 -3.83 -0.14 0.00 -1.58 0.00 0.00 42.46 36.77 2dad s ILE 31 CO 0.00 0.18 2.47 0.47 -1.23 0.00 0.00 174.94 176.84 2dad n ASP 32 N 0.65 1.52 -2.71 3.58 9.92 -1.26 -0.43 116.55 127.83 2dad n ASP 32 Ca -0.02 -0.06 -0.19 0.00 -0.53 0.00 0.00 54.79 53.99 2dad n ASP 32 Cb 0.51 -1.27 0.00 0.00 -0.64 0.00 0.00 41.12 39.73 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 12.63 -4.98 -3.68 -2.24 8.00 -1.26 -1.46 116.55 123.56 2dad n ASP 33 Ca 0.49 -0.07 -0.27 0.00 0.71 0.00 0.00 54.79 55.65 2dad n ASP 33 Cb 0.29 -4.13 -0.03 0.00 -0.02 0.00 0.00 41.12 37.23 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2dad n SER 34 N -2.11 -2.71 -4.64 -2.24 3.41 0.43 -4.78 113.62 100.99 2dad n SER 34 Ca -0.15 -0.58 -0.45 0.00 -0.26 0.00 0.00 58.87 57.43 2dad n SER 34 Cb 0.63 -2.29 -0.04 0.00 -0.26 0.00 0.00 64.21 62.25 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 -3.81 2.25 -0.96 7.33 1.16 -0.53 -4.87 117.46 118.03 2dad n PHE 35 Ca 0.04 -0.14 -0.34 0.00 -1.87 0.00 0.00 57.45 55.14 2dad n PHE 35 Cb 0.50 -2.72 0.11 0.00 -1.61 0.00 0.00 39.48 35.76 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 8.34 -1.21 -3.70 5.98 3.41 -1.26 -4.74 113.62 120.43 2dad n SER 36 Ca 0.25 0.45 -0.15 0.00 -0.26 0.00 0.00 58.87 59.15 2dad n SER 36 Cb 0.36 -1.27 -0.15 0.00 -0.26 0.00 0.00 64.21 62.89 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 -2.24 -0.16 -0.13 6.66 2.01 -1.25 -4.01 115.64 116.52 2dad s THR 37 Ca 0.62 0.28 0.19 0.00 0.31 0.00 0.00 61.69 63.09 2dad s THR 37 Cb -0.26 -0.26 -0.27 0.00 0.01 0.00 0.00 72.50 71.72 2dad s THR 37 CO 0.62 0.12 0.30 0.29 -0.69 0.00 0.00 174.62 175.25 2dad n LYS 38 N 4.81 0.67 -4.11 4.92 5.02 -1.09 -4.75 118.16 123.62 2dad n LYS 38 Ca -0.15 -0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 55.97 2dad n LYS 38 Cb 0.51 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 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 -5.19 1.04 0.24 4.39 1.04 -1.18 -1.92 113.70 112.12 2dad s SER 39 Ca -0.09 -0.73 -0.04 0.00 0.48 0.00 0.00 55.95 55.57 2dad s SER 39 Cb 0.09 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 2dad s SER 39 CO 0.86 -0.29 0.28 0.00 0.98 0.00 0.00 173.24 175.07 2dad s ARG 41 N -3.93 0.19 -0.09 0.00 3.52 0.30 -1.18 118.95 117.76 2dad s ARG 41 Ca 0.33 -0.23 -0.12 0.00 -0.13 0.00 0.00 55.73 55.58 2dad s ARG 41 Cb 0.04 -1.77 -0.05 0.00 -1.56 0.00 0.00 34.95 31.61 2dad s ARG 41 CO 0.13 -0.73 0.30 0.08 -0.81 0.00 0.00 175.30 174.27 2dad s VAL 42 N 2.08 5.25 -0.25 7.11 1.01 -1.26 -0.19 120.40 134.15 2dad s VAL 42 Ca 0.03 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 2dad s VAL 42 Cb -0.16 -3.60 0.14 0.00 0.00 0.00 0.00 36.38 32.75 2dad s VAL 42 CO -0.14 0.53 0.39 -0.55 0.00 0.00 0.00 175.10 175.33 2dad s SER 43 N -0.55 0.21 0.00 3.32 0.15 -0.33 -3.09 113.70 113.41 2dad s SER 43 Ca 0.19 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2dad s SER 43 Cb -0.14 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 2dad s SER 43 CO 0.08 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dad n GLY 44 N 5.37 0.41 0.00 9.45 0.00 -1.21 -0.17 105.19 119.03 2dad n GLY 44 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.65 2.37 3.87 -0.02 0.00 -1.26 -3.07 105.19 106.43 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 0.00 4.83 -0.02 1.61 0.01 -1.18 -4.47 113.70 114.48 2dad s SER 46 Ca 0.00 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2dad s SER 46 Cb 0.00 -1.70 0.03 0.00 0.21 0.00 0.00 66.02 64.55 2dad s SER 46 CO 0.00 -1.73 0.03 0.26 0.41 0.00 0.00 173.24 172.21 2dad s TRP 47 N -3.39 0.03 -0.19 2.43 0.52 -0.72 -2.05 118.94 115.57 2dad s TRP 47 Ca 0.60 0.12 -0.08 0.00 0.02 0.00 0.00 56.10 56.77 2dad s TRP 47 Cb -0.12 -0.23 -0.04 0.00 -1.15 0.00 0.00 33.47 31.93 2dad s TRP 47 CO 0.51 -0.09 0.07 0.08 0.02 0.00 0.00 176.95 177.55 2dad s VAL 48 N 1.04 4.83 -0.17 4.03 1.01 -0.20 0.14 120.40 131.09 2dad s VAL 48 Ca -0.09 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2dad s VAL 48 Cb -0.13 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.09 2dad s VAL 48 CO -0.03 0.45 -0.19 0.68 0.00 0.00 0.00 175.10 176.02 2dad s VAL 49 N 0.40 1.98 0.10 2.92 -7.23 -0.34 -1.11 120.40 117.12 2dad s VAL 49 Ca 0.03 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 2dad s VAL 49 Cb -0.12 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2dad s VAL 49 CO 0.00 0.53 0.25 -0.31 -0.31 0.00 0.00 175.10 175.26 2dad s TYR 50 N 1.32 3.51 -0.55 2.82 1.51 -0.67 -0.72 117.35 124.56 2dad s TYR 50 Ca 0.05 0.25 0.24 0.00 -1.01 0.00 0.00 57.07 56.60 2dad s TYR 50 Cb -0.13 -1.76 0.42 0.00 -0.11 0.00 0.00 41.96 40.38 2dad s TYR 50 CO -0.12 0.55 1.48 0.38 -1.11 0.00 0.00 175.55 176.72 2dad h ASP 51 N 2.77 0.00 -1.65 2.29 3.04 -1.70 0.26 116.42 121.43 2dad h ASP 51 Ca -0.46 -0.06 -0.51 0.00 -3.24 0.00 0.00 57.03 52.75 2dad h ASP 51 Cb 1.17 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.41 2dad h ASP 51 CO 0.73 0.03 -0.44 -0.83 -2.04 0.00 0.00 179.24 176.70 2dad s GLY 52 N -3.89 2.08 0.51 7.15 0.00 -0.96 -4.41 107.32 107.81 2dad s GLY 52 Ca 0.07 -1.87 -0.15 0.00 0.00 0.00 0.00 44.72 42.76 2dad s GLY 52 CO 0.68 -1.72 0.97 -0.54 0.00 0.00 0.00 173.10 172.49 2dad s GLU 53 N -4.02 3.90 -1.27 2.90 2.02 -1.26 -3.68 118.70 117.28 2dad s GLU 53 Ca 0.44 0.88 -0.04 0.00 0.02 0.00 0.00 54.97 56.27 2dad s GLU 53 Cb -0.02 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.05 2dad s GLU 53 CO 0.26 -0.27 0.55 0.09 0.02 0.00 0.00 175.26 175.91 2dad n ASN 54 N -1.65 -5.38 -3.74 -0.19 3.02 -1.25 -2.64 115.26 103.43 2dad n ASN 54 Ca 0.06 -0.26 -0.23 0.00 -0.03 0.00 0.00 54.58 54.12 2dad n ASN 54 Cb 0.54 -4.19 0.03 0.00 -0.61 0.00 0.00 39.78 35.55 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 -4.33 -1.99 -4.03 3.10 3.01 -1.25 -4.99 117.46 106.98 2dad n PHE 55 Ca -0.08 0.85 -0.23 0.00 1.01 0.00 0.00 57.45 59.00 2dad n PHE 55 Cb 0.60 -4.32 -0.06 0.00 -0.01 0.00 0.00 39.48 35.69 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 -3.60 3.08 0.00 4.37 -4.23 -1.08 -5.02 115.64 109.15 2dad s THR 56 Ca 0.13 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2dad s THR 56 Cb -0.07 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.76 2dad s THR 56 CO 0.82 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 2dad n GLY 57 N -1.21 -0.39 3.51 3.99 0.00 -1.26 -2.25 105.19 107.59 2dad n GLY 57 Ca -0.03 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 0.62 -0.22 1.61 0.01 -1.26 -4.88 114.94 106.81 2dad s ASN 58 Ca 0.00 0.89 -0.14 0.00 -0.71 0.00 0.00 52.86 52.90 2dad s ASN 58 Cb 0.00 -1.31 0.07 0.00 0.41 0.00 0.00 41.25 40.42 2dad s ASN 58 CO 0.00 -4.34 0.56 0.00 -1.51 0.00 0.00 177.10 171.81 2dad s GLN 59 N -5.11 0.58 -0.26 -0.60 -2.07 -1.26 -3.52 119.66 107.42 2dad s GLN 59 Ca 0.69 0.97 0.01 0.00 -1.82 0.00 0.00 55.36 55.21 2dad s GLN 59 Cb -0.14 0.12 0.05 0.00 -1.09 0.00 0.00 33.01 31.95 2dad s GLN 59 CO 0.58 -0.14 -0.09 0.71 -1.32 0.00 0.00 175.29 175.04 2dad s TYR 60 N 1.24 3.19 -0.22 9.60 1.51 0.10 -4.89 117.35 127.89 2dad s TYR 60 Ca -0.08 -2.05 -0.20 0.00 -1.01 0.00 0.00 57.07 53.74 2dad s TYR 60 Cb -0.06 -1.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 2dad s TYR 60 CO -0.13 -0.83 0.61 0.14 -1.11 0.00 0.00 175.55 174.23 2dad s VAL 61 N 1.19 5.03 -0.23 0.71 -7.23 -1.26 -1.20 120.40 117.41 2dad s VAL 61 Ca -0.05 1.12 -0.08 0.00 -1.81 0.00 0.00 61.98 61.15 2dad s VAL 61 Cb -0.19 -3.92 -0.04 0.00 0.56 0.00 0.00 36.38 32.80 2dad s VAL 61 CO -0.05 0.09 0.09 -0.76 -0.31 0.00 0.00 175.10 174.16 2dad s LEU 62 N 2.07 3.65 0.74 1.32 2.01 0.12 -4.90 118.68 123.68 2dad s LEU 62 Ca 0.27 -0.09 -0.12 0.00 0.01 0.00 0.00 54.13 54.21 2dad s LEU 62 Cb -0.16 -1.97 0.03 0.00 0.01 0.00 0.00 46.19 44.11 2dad s LEU 62 CO 0.10 0.03 1.11 -1.61 1.01 0.00 0.00 176.35 176.98 2dad s GLU 63 N 1.25 2.60 -0.28 1.70 2.02 -1.26 -1.76 118.70 122.96 2dad s GLU 63 Ca 0.05 0.45 -0.32 0.00 0.02 0.00 0.00 54.97 55.17 2dad s GLU 63 Cb -0.14 -1.99 -0.09 0.00 0.10 0.00 0.00 34.13 32.00 2dad s GLU 63 CO 0.04 -1.22 2.19 -1.91 0.02 0.00 0.00 175.26 174.38 2dad n GLU 64 N -3.13 1.48 0.00 1.61 2.13 -1.26 -4.68 120.64 116.78 2dad n GLU 64 Ca 0.07 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.30 2dad n GLU 64 Cb 0.57 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.51 2dad n GLU 64 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dad n GLY 65 N 6.14 3.01 3.60 8.31 0.00 -1.18 -5.02 105.19 120.05 2dad n GLY 65 Ca 0.36 0.09 -0.47 0.00 0.00 0.00 0.00 46.02 46.01 2dad n GLY 65 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2dad n HIS 66 N 0.00 2.09 -3.32 1.61 1.44 -1.26 -4.09 115.22 111.69 2dad n HIS 66 Ca 0.00 -0.03 -0.45 0.00 -2.01 0.00 0.00 57.72 55.23 2dad n HIS 66 Cb 0.00 -2.67 -0.06 0.00 0.12 0.00 0.00 29.99 27.38 2dad n HIS 66 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2dad s TYR 67 N 6.09 3.22 0.29 -1.40 2.02 -0.33 -4.92 117.35 122.33 2dad s TYR 67 Ca 0.98 -1.12 0.07 0.00 -0.37 0.00 0.00 57.07 56.64 2dad s TYR 67 Cb -0.59 -3.59 0.44 0.00 -0.40 0.00 0.00 41.96 37.82 2dad s TYR 67 CO 0.45 -0.96 1.68 -1.00 -1.57 0.00 0.00 175.55 174.15 2dad h PRO 68 N 8.87 0.18 -4.26 -1.71 0.13 -1.92 -1.93 132.00 131.36 2dad h PRO 68 Ca -0.29 -0.09 -0.14 0.00 -0.87 0.00 0.00 66.00 64.61 2dad h PRO 68 Cb 1.10 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.08 2dad h PRO 68 CO 0.99 0.61 -0.68 0.00 -0.23 0.00 0.00 178.00 178.69 2dad h LEU 70 N 3.28 0.81 -0.89 0.00 3.38 -1.70 -3.08 115.31 117.12 2dad h LEU 70 Ca -0.34 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.67 2dad h LEU 70 Cb 1.15 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 2dad h LEU 70 CO 0.63 0.62 -0.51 -1.20 0.09 0.00 0.00 178.44 178.07 2dad n SER 71 N -4.57 -0.91 -0.29 -0.43 7.64 -1.26 0.16 113.62 113.97 2dad n SER 71 Ca 0.06 1.57 0.14 0.00 1.01 0.00 0.00 58.87 61.65 2dad n SER 71 Cb 0.04 -0.22 0.39 0.00 -1.01 0.00 0.00 64.21 63.42 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 0.50 1.87 0.00 -0.43 0.00 -1.91 0.13 119.26 119.42 2dad h ALA 72 Ca 0.15 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2dad h ALA 72 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2dad h ALA 72 CO -0.84 -0.15 -0.70 0.52 0.00 0.00 0.00 179.25 178.08 2dad h MET 73 N 0.66 0.00 0.00 0.00 2.07 0.16 -3.47 114.93 114.34 2dad h MET 73 Ca 0.48 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.11 2dad h MET 73 Cb 0.85 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.58 2dad h MET 73 CO -0.24 0.70 0.00 0.41 1.07 0.00 0.00 176.91 178.86 2dad n GLY 74 N 0.50 0.99 3.91 8.32 0.00 0.20 -4.87 105.19 114.24 2dad n GLY 74 Ca -0.01 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2dad n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dad s PRO 76 N -2.56 2.41 -0.97 0.00 0.04 -1.26 -4.11 135.00 128.55 2dad s PRO 76 Ca 0.35 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.38 2dad s PRO 76 Cb -0.13 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2dad s PRO 76 CO 0.28 -1.54 1.94 -1.25 0.04 0.00 0.00 177.00 176.47 2dad s PRO 77 N -4.66 2.54 0.00 0.56 0.04 -1.26 -3.36 135.00 128.86 2dad s PRO 77 Ca 0.63 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.16 2dad s PRO 77 Cb -0.18 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.25 2dad s PRO 77 CO 0.52 -3.53 0.00 0.41 0.04 0.00 0.00 177.00 174.44 2dad n GLY 78 N 6.60 0.73 3.58 0.56 0.00 -1.26 -5.14 105.19 110.26 2dad n GLY 78 Ca 0.41 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 -0.14 3.18 -0.32 4.61 0.00 -1.21 -5.08 121.76 122.79 2dad s ALA 79 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2dad s ALA 79 Cb 0.00 -1.62 0.09 0.00 0.00 0.00 0.00 23.12 21.59 2dad s ALA 79 CO 0.00 0.31 0.01 0.99 0.00 0.00 0.00 175.76 177.07 2dad s THR 80 N 0.01 2.36 0.35 0.00 2.01 -1.26 -3.87 115.64 115.25 2dad s THR 80 Ca 0.02 -2.05 -0.28 0.00 0.31 0.00 0.00 61.69 59.70 2dad s THR 80 Cb -0.13 -2.61 -0.10 0.00 0.01 0.00 0.00 72.50 69.67 2dad s THR 80 CO 0.02 -0.40 1.35 -0.36 -0.69 0.00 0.00 174.62 174.55 2dad s PHE 81 N 1.00 2.91 -0.03 4.92 0.08 -1.26 -4.54 117.98 121.06 2dad s PHE 81 Ca 0.04 1.35 0.03 0.00 0.12 0.00 0.00 56.93 58.47 2dad s PHE 81 Cb -0.20 -3.77 -0.04 0.00 -0.57 0.00 0.00 43.02 38.44 2dad s PHE 81 CO -0.06 -2.18 0.02 1.63 -0.10 0.00 0.00 175.22 174.52 2dad n LYS 82 N 0.65 3.27 -4.10 0.44 5.02 0.92 -4.69 118.16 119.66 2dad n LYS 82 Ca 0.01 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2dad n LYS 82 Cb 0.41 -1.09 -0.13 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 -3.37 0.71 0.25 4.39 1.04 -1.20 -1.00 113.70 114.52 2dad s SER 83 Ca -0.02 -0.32 0.11 0.00 0.48 0.00 0.00 55.95 56.20 2dad s SER 83 Cb 0.01 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 2dad s SER 83 CO 0.14 -0.07 -0.14 -0.76 0.98 0.00 0.00 173.24 173.38 2dad s LEU 84 N -0.85 2.76 -0.25 2.42 1.43 0.25 -1.68 118.68 122.77 2dad s LEU 84 Ca -0.04 -0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 52.19 2dad s LEU 84 Cb -0.06 -1.33 0.14 0.00 0.03 0.00 0.00 46.19 44.97 2dad s LEU 84 CO 0.00 0.05 0.39 -0.60 0.23 0.00 0.00 176.35 176.42 2dad s ARG 85 N -3.34 0.37 -0.68 1.70 3.52 -0.26 -2.54 118.95 117.71 2dad s ARG 85 Ca 0.28 0.48 -0.27 0.00 -0.13 0.00 0.00 55.73 56.09 2dad s ARG 85 Cb -0.06 -0.41 0.03 0.00 -1.56 0.00 0.00 34.95 32.94 2dad s ARG 85 CO 0.15 -0.71 1.27 0.12 -0.81 0.00 0.00 175.30 175.32 2dad s PHE 86 N 2.56 2.38 -0.64 5.12 5.36 -1.26 -1.03 117.98 130.46 2dad s PHE 86 Ca 0.13 0.13 -0.24 0.00 -0.96 0.00 0.00 56.93 55.98 2dad s PHE 86 Cb -0.15 -4.58 0.05 0.00 -0.34 0.00 0.00 43.02 38.00 2dad s PHE 86 CO -0.19 -1.92 1.05 0.42 -1.46 0.00 0.00 175.22 173.12 2dad s ILE 87 N 5.55 4.18 -0.61 3.12 1.09 -0.87 -4.95 121.20 128.71 2dad s ILE 87 Ca 0.39 0.09 -0.29 0.00 -1.10 0.00 0.00 60.65 59.74 2dad s ILE 87 Cb -0.08 -4.70 -0.12 0.00 -1.06 0.00 0.00 42.46 36.50 2dad s ILE 87 CO 0.19 -1.44 2.46 -0.24 -0.10 0.00 0.00 174.94 175.80 2dad n SER 88 N 8.08 1.71 0.00 3.58 2.88 -1.26 -3.08 113.62 125.53 2dad n SER 88 Ca 0.00 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2dad n SER 88 Cb 0.47 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2dad n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dad n GLY 89 N 6.25 -0.31 0.00 0.46 0.00 -1.26 -4.73 105.19 105.59 2dad n GLY 89 Ca 0.46 -1.31 0.06 0.00 0.00 0.00 0.00 46.02 45.23 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 0.98 0.49 -2.14 1.61 -0.04 -1.26 -4.43 135.00 130.20 2dad n PRO 90 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2dad n PRO 90 Cb 0.00 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.07 2dad n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dad s SER 91 N -1.87 6.43 -0.03 3.54 0.15 -1.26 -4.91 113.70 115.76 2dad s SER 91 Ca 0.17 1.63 -0.24 0.00 0.70 0.00 0.00 55.95 58.21 2dad s SER 91 Cb 0.08 -2.53 -0.18 0.00 -1.71 0.00 0.00 66.02 61.68 2dad s SER 91 CO 0.13 -1.21 1.11 0.28 1.20 0.00 0.00 173.24 174.74 2dad h SER 92 N 10.49 -0.16 0.00 5.45 0.02 -1.99 -3.50 113.55 123.86 2dad h SER 92 Ca -0.33 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2dad h SER 92 Cb 1.15 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2dad h SER 92 CO 1.00 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 177.63