#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 -4.12 -0.02 1.61 7.64 -1.26 -4.89 113.62 112.58 2dad n SER 2 Ca 0.00 -0.82 -0.13 0.00 1.01 0.00 0.00 58.87 58.93 2dad n SER 2 Cb 0.00 -3.75 -0.10 0.00 -1.01 0.00 0.00 64.21 59.35 2dad n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dad h SER 3 N -2.00 0.02 -0.23 6.43 4.64 -2.04 -3.41 113.55 116.96 2dad h SER 3 Ca -0.59 -0.52 -0.21 0.00 -0.47 0.00 0.00 61.79 59.99 2dad h SER 3 Cb 1.38 -0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.21 2dad h SER 3 CO 0.67 0.54 -0.64 0.61 -0.87 0.00 0.00 176.83 177.14 2dad n GLY 4 N 0.33 1.84 3.66 -0.77 0.00 -1.26 -5.08 105.19 103.90 2dad n GLY 4 Ca -0.08 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.21 6.83 0.31 1.61 0.01 -1.26 -5.02 113.70 113.96 2dad s SER 5 Ca 0.18 1.02 -0.29 0.00 1.31 0.00 0.00 55.95 58.17 2dad s SER 5 Cb 0.40 -2.41 -0.10 0.00 0.21 0.00 0.00 66.02 64.11 2dad s SER 5 CO -0.08 -0.40 1.36 -0.44 0.41 0.00 0.00 173.24 174.09 2dad s SER 6 N 1.24 6.70 0.19 2.44 0.01 -1.26 -4.79 113.70 118.24 2dad s SER 6 Ca 0.34 2.71 0.03 0.00 1.31 0.00 0.00 55.95 60.34 2dad s SER 6 Cb -0.16 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.39 2dad s SER 6 CO 0.10 -0.61 0.33 -0.83 0.41 0.00 0.00 173.24 172.64 2dad s GLY 7 N -0.20 1.49 -0.26 3.44 0.00 -1.13 -4.52 107.32 106.15 2dad s GLY 7 Ca 0.52 -1.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.02 2dad s GLY 7 CO 0.51 -1.11 0.61 1.62 0.00 0.00 0.00 173.10 174.73 2dad s GLN 8 N -3.58 0.58 0.06 2.90 0.74 -0.29 -4.73 119.66 115.35 2dad s GLN 8 Ca 0.35 1.23 0.01 0.00 0.05 0.00 0.00 55.36 57.00 2dad s GLN 8 Cb -0.10 0.39 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 2dad s GLN 8 CO 0.29 -0.18 0.14 -1.50 -0.55 0.00 0.00 175.29 173.49 2dad s ILE 9 N 2.15 4.94 -0.23 -2.34 2.07 -0.75 -2.36 121.20 124.68 2dad s ILE 9 Ca -0.08 -0.57 -0.03 0.00 -1.41 0.00 0.00 60.65 58.57 2dad s ILE 9 Cb -0.09 -3.39 0.08 0.00 0.13 0.00 0.00 42.46 39.19 2dad s ILE 9 CO -0.18 0.15 0.07 -2.28 -1.91 0.00 0.00 174.94 170.79 2dad s HIS 10 N -1.43 0.89 -0.06 3.50 2.46 -0.62 -1.30 115.29 118.74 2dad s HIS 10 Ca 0.31 -0.95 -0.04 0.00 0.47 0.00 0.00 55.06 54.85 2dad s HIS 10 Cb -0.13 -1.09 -0.04 0.00 -0.13 0.00 0.00 32.58 31.20 2dad s HIS 10 CO 0.24 -0.69 0.14 -0.51 -2.47 0.00 0.00 174.74 171.45 2dad s LEU 11 N 1.90 4.28 -0.19 8.88 2.01 0.34 0.18 118.68 136.08 2dad s LEU 11 Ca 0.04 0.36 0.01 0.00 0.01 0.00 0.00 54.13 54.55 2dad s LEU 11 Cb -0.17 -2.31 0.04 0.00 0.01 0.00 0.00 46.19 43.76 2dad s LEU 11 CO -0.17 0.33 -0.11 -0.36 1.01 0.00 0.00 176.35 177.05 2dad s PHE 12 N -1.17 2.34 0.29 0.29 0.40 -0.32 -0.12 117.98 119.69 2dad s PHE 12 Ca 0.21 -1.50 -0.04 0.00 -0.60 0.00 0.00 56.93 55.00 2dad s PHE 12 Cb -0.12 -1.62 0.57 0.00 0.51 0.00 0.00 43.02 42.36 2dad s PHE 12 CO 0.11 -0.72 1.53 0.45 0.70 0.00 0.00 175.22 177.29 2dad n SER 13 N 4.71 -0.26 -4.93 1.36 2.88 0.89 -3.38 113.62 114.89 2dad n SER 13 Ca -0.15 1.67 -0.27 0.00 -1.33 0.00 0.00 58.87 58.80 2dad n SER 13 Cb 0.47 -0.55 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 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 -6.13 3.51 0.89 -1.46 0.41 -0.96 -3.66 118.70 111.30 2dad s GLU 14 Ca -0.14 -0.38 -0.11 0.00 -0.41 0.00 0.00 54.97 53.93 2dad s GLU 14 Cb 0.27 -2.84 0.13 0.00 -1.78 0.00 0.00 34.13 29.91 2dad s GLU 14 CO 0.76 0.39 1.09 -1.25 -0.49 0.00 0.00 175.26 175.77 2dad s PRO 15 N -3.43 1.29 -1.35 0.39 0.04 -1.26 -2.99 135.00 127.68 2dad s PRO 15 Ca 0.38 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 2dad s PRO 15 Cb -0.11 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2dad s PRO 15 CO 0.29 -2.22 0.32 1.04 0.04 0.00 0.00 177.00 176.47 2dad n GLN 16 N -3.87 -3.07 -3.82 4.56 6.02 0.28 -2.49 117.38 114.98 2dad n GLN 16 Ca 0.07 0.78 -0.26 0.00 -0.01 0.00 0.00 57.00 57.58 2dad n GLN 16 Cb 0.55 -5.28 0.03 0.00 1.02 0.00 0.00 30.24 26.55 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 -4.19 -2.11 -4.62 1.08 3.72 -1.25 -4.98 117.46 105.10 2dad n PHE 17 Ca -0.13 0.87 -0.32 0.00 -0.05 0.00 0.00 57.45 57.82 2dad n PHE 17 Cb 0.62 -4.15 -0.07 0.00 -0.94 0.00 0.00 39.48 34.94 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 -6.34 2.19 3.07 -1.08 -0.21 -1.04 -5.05 119.66 111.19 2dad s GLN 18 Ca 0.35 -2.32 0.00 0.00 0.02 0.00 0.00 55.36 53.40 2dad s GLN 18 Cb -0.17 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 32.21 2dad s GLN 18 CO 0.83 -0.37 0.00 0.41 -2.12 0.00 0.00 175.29 174.03 2dad n GLY 19 N -1.32 0.84 3.55 3.09 0.00 -1.26 -2.26 105.19 107.83 2dad n GLY 19 Ca -0.16 -0.83 -0.36 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 0.00 0.05 -3.81 1.61 8.25 -1.26 -4.73 115.22 115.33 2dad n HIS 20 Ca 0.00 0.38 -0.13 0.00 -0.26 0.00 0.00 57.72 57.71 2dad n HIS 20 Cb 0.00 -2.01 -0.12 0.00 1.12 0.00 0.00 29.99 28.98 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 -1.55 -0.20 -0.05 0.41 1.04 -1.26 -0.08 113.70 112.01 2dad s SER 21 Ca 0.70 0.38 -0.02 0.00 0.48 0.00 0.00 55.95 57.49 2dad s SER 21 Cb -0.35 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.19 2dad s SER 21 CO 0.53 -0.08 0.12 -1.10 0.98 0.00 0.00 173.24 173.69 2dad s GLN 22 N 0.06 0.07 0.01 4.02 -0.21 0.83 -5.00 119.66 119.45 2dad s GLN 22 Ca -0.00 0.30 0.05 0.00 0.02 0.00 0.00 55.36 55.72 2dad s GLN 22 Cb -0.02 -0.15 -0.03 0.00 1.00 0.00 0.00 33.01 33.81 2dad s GLN 22 CO 0.00 -0.14 -0.13 -1.54 -2.12 0.00 0.00 175.29 171.36 2dad s SER 23 N 0.95 4.13 -0.07 5.90 1.04 -1.26 -0.51 113.70 123.88 2dad s SER 23 Ca -0.07 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.10 2dad s SER 23 Cb -0.10 -0.82 0.01 0.00 0.10 0.00 0.00 66.02 65.21 2dad s SER 23 CO -0.04 0.28 -0.15 -0.36 0.98 0.00 0.00 173.24 173.95 2dad s PHE 24 N -0.91 1.68 -0.20 5.02 0.08 -0.42 -4.98 117.98 118.25 2dad s PHE 24 Ca 0.15 -0.63 0.14 0.00 0.12 0.00 0.00 56.93 56.71 2dad s PHE 24 Cb -0.11 -1.19 -0.22 0.00 -0.57 0.00 0.00 43.02 40.93 2dad s PHE 24 CO 0.05 -0.29 0.00 0.39 -0.10 0.00 0.00 175.22 175.27 2dad n GLU 25 N 3.69 0.80 -4.16 0.44 -0.58 -1.26 -1.80 120.64 117.77 2dad n GLU 25 Ca -0.22 0.02 -0.25 0.00 -0.42 0.00 0.00 57.16 56.30 2dad n GLU 25 Cb 0.52 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.82 2dad n GLU 25 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2dad s GLU 26 N -2.47 2.21 0.08 3.49 4.04 -1.26 -4.80 118.70 119.99 2dad s GLU 26 Ca -0.15 -1.86 -0.32 0.00 0.04 0.00 0.00 54.97 52.68 2dad s GLU 26 Cb 0.06 -1.96 -0.11 0.00 0.02 0.00 0.00 34.13 32.14 2dad s GLU 26 CO 0.74 -0.12 1.85 2.41 -1.84 0.00 0.00 175.26 178.30 2dad n THR 27 N -1.23 0.44 -4.07 1.83 -1.04 -1.26 -4.80 114.28 104.14 2dad n THR 27 Ca -0.01 -0.08 -0.33 0.00 -2.04 0.00 0.00 64.05 61.59 2dad n THR 27 Cb 0.65 -2.08 -0.07 0.00 -1.82 0.00 0.00 70.33 67.01 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 3.07 4.85 -0.06 12.58 2.01 -1.13 -4.96 115.64 132.01 2dad s THR 28 Ca 0.84 -0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.58 2dad s THR 28 Cb -0.52 -3.22 -0.11 0.00 0.01 0.00 0.00 72.50 68.66 2dad s THR 28 CO 0.40 0.37 0.08 -1.54 -0.69 0.00 0.00 174.62 173.24 2dad n SER 29 N 1.21 3.02 -3.71 3.53 3.41 -1.26 -0.07 113.62 119.75 2dad n SER 29 Ca -0.13 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.32 2dad n SER 29 Cb 0.53 0.94 -0.16 0.00 -0.26 0.00 0.00 64.21 65.26 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 -2.34 0.00 0.38 4.33 0.74 -1.02 -3.89 119.66 117.87 2dad s GLN 30 Ca -0.04 0.39 -0.17 0.00 0.05 0.00 0.00 55.36 55.59 2dad s GLN 30 Cb 0.03 -0.30 -0.10 0.00 1.10 0.00 0.00 33.01 33.75 2dad s GLN 30 CO 0.34 -0.25 0.84 0.42 -0.55 0.00 0.00 175.29 176.09 2dad s ILE 31 N 1.71 4.56 -0.57 -2.34 -1.09 0.01 -4.93 121.20 118.56 2dad s ILE 31 Ca -0.02 1.16 -0.30 0.00 -2.23 0.00 0.00 60.65 59.26 2dad s ILE 31 Cb -0.12 -3.62 -0.12 0.00 -1.58 0.00 0.00 42.46 37.02 2dad s ILE 31 CO -0.05 -0.29 2.41 0.47 -1.23 0.00 0.00 174.94 176.25 2dad n ASP 32 N -0.61 1.77 -2.73 3.58 8.00 -1.26 -0.84 116.55 124.46 2dad n ASP 32 Ca 0.05 -0.02 -0.17 0.00 0.71 0.00 0.00 54.79 55.36 2dad n ASP 32 Cb 0.54 -1.31 -0.00 0.00 -0.02 0.00 0.00 41.12 40.32 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 12.50 -4.39 -3.49 -2.24 2.03 -1.26 -1.11 116.55 118.58 2dad n ASP 33 Ca 0.46 -0.03 -0.23 0.00 0.52 0.00 0.00 54.79 55.50 2dad n ASP 33 Cb 0.31 -3.67 -0.02 0.00 -0.72 0.00 0.00 41.12 37.02 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 -2.04 -2.61 -4.68 1.67 3.41 -0.02 -4.77 113.62 104.58 2dad n SER 34 Ca -0.12 -0.43 -0.52 0.00 -0.26 0.00 0.00 58.87 57.55 2dad n SER 34 Cb 0.60 -2.22 -0.06 0.00 -0.26 0.00 0.00 64.21 62.28 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 -3.65 2.16 -1.56 7.33 1.16 -0.27 -4.78 117.46 117.85 2dad n PHE 35 Ca 0.02 0.26 -0.39 0.00 -1.87 0.00 0.00 57.45 55.47 2dad n PHE 35 Cb 0.51 -2.55 0.03 0.00 -1.61 0.00 0.00 39.48 35.85 2dad n PHE 35 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2dad n SER 36 N 5.55 0.32 -3.94 5.98 7.64 -1.26 -4.64 113.62 123.27 2dad n SER 36 Ca 0.23 0.87 -0.30 0.00 1.01 0.00 0.00 58.87 60.68 2dad n SER 36 Cb 0.23 -1.30 -0.16 0.00 -1.01 0.00 0.00 64.21 61.97 2dad n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2dad s THR 37 N -1.48 1.48 -0.15 0.44 2.01 -1.22 -4.21 115.64 112.50 2dad s THR 37 Ca 0.69 -1.10 0.03 0.00 0.31 0.00 0.00 61.69 61.61 2dad s THR 37 Cb -0.49 -1.71 -0.23 0.00 0.01 0.00 0.00 72.50 70.08 2dad s THR 37 CO 0.53 -0.03 0.25 0.29 -0.69 0.00 0.00 174.62 174.97 2dad n LYS 38 N 4.71 0.70 -4.28 4.92 5.02 -1.23 -4.71 118.16 123.29 2dad n LYS 38 Ca -0.12 0.21 -0.23 0.00 -2.02 0.00 0.00 58.31 56.15 2dad n LYS 38 Cb 0.45 -1.66 -0.12 0.00 -0.02 0.00 0.00 35.03 33.68 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 -6.49 2.44 0.19 4.39 1.04 -1.22 -1.63 113.70 112.43 2dad s SER 39 Ca -0.20 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 55.47 2dad s SER 39 Cb 0.07 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 2dad s SER 39 CO 0.75 0.01 0.20 0.00 0.98 0.00 0.00 173.24 175.18 2dad s ARG 41 N -4.10 0.27 0.06 0.00 3.52 0.13 0.12 118.95 118.96 2dad s ARG 41 Ca 0.31 -0.14 -0.22 0.00 -0.13 0.00 0.00 55.73 55.56 2dad s ARG 41 Cb 0.05 -0.85 -0.06 0.00 -1.56 0.00 0.00 34.95 32.53 2dad s ARG 41 CO 0.09 -0.95 0.65 0.08 -0.81 0.00 0.00 175.30 174.36 2dad s VAL 42 N 2.31 4.71 -0.27 7.11 1.01 -1.02 -1.58 120.40 132.67 2dad s VAL 42 Ca 0.09 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.47 2dad s VAL 42 Cb -0.15 -4.00 0.15 0.00 0.00 0.00 0.00 36.38 32.39 2dad s VAL 42 CO -0.30 0.48 0.41 -0.55 0.00 0.00 0.00 175.10 175.14 2dad s SER 43 N -0.67 0.22 0.00 3.32 0.15 -0.99 -2.03 113.70 113.70 2dad s SER 43 Ca 0.33 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2dad s SER 43 Cb -0.20 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 2dad s SER 43 CO 0.21 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2dad n GLY 44 N 5.36 0.65 0.00 9.45 0.00 -1.26 -1.14 105.19 118.25 2dad n GLY 44 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.28 1.66 3.91 -0.02 0.00 -1.26 -2.82 105.19 106.38 2dad n GLY 45 Ca 0.00 -1.98 -0.28 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 5.81 -0.03 1.61 0.01 -1.06 -4.46 113.70 115.58 2dad s SER 46 Ca 0.00 0.89 -0.01 0.00 1.31 0.00 0.00 55.95 58.14 2dad s SER 46 Cb 0.00 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 64.31 2dad s SER 46 CO 0.00 -0.95 0.04 0.26 0.41 0.00 0.00 173.24 173.00 2dad s TRP 47 N -2.99 0.04 -0.25 2.43 0.52 -0.93 -0.42 118.94 117.33 2dad s TRP 47 Ca 0.53 0.18 -0.12 0.00 0.02 0.00 0.00 56.10 56.71 2dad s TRP 47 Cb -0.11 -0.34 -0.05 0.00 -1.15 0.00 0.00 33.47 31.83 2dad s TRP 47 CO 0.47 -0.13 0.24 0.08 0.02 0.00 0.00 176.95 177.63 2dad s VAL 48 N 1.52 5.29 -0.24 4.03 1.01 -1.05 -0.83 120.40 130.14 2dad s VAL 48 Ca -0.03 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 2dad s VAL 48 Cb -0.13 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2dad s VAL 48 CO -0.03 0.27 0.07 0.68 0.00 0.00 0.00 175.10 176.09 2dad s VAL 49 N 1.52 4.42 -0.18 2.92 -7.23 0.23 -2.22 120.40 119.85 2dad s VAL 49 Ca 0.10 -0.14 -0.04 0.00 -1.81 0.00 0.00 61.98 60.09 2dad s VAL 49 Cb -0.15 -3.05 -0.02 0.00 0.56 0.00 0.00 36.38 33.71 2dad s VAL 49 CO 0.08 0.35 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.88 2dad s TYR 50 N 1.42 3.00 -1.50 2.82 1.51 -0.67 -2.22 117.35 121.70 2dad s TYR 50 Ca 0.05 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 2dad s TYR 50 Cb -0.15 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.70 2dad s TYR 50 CO 0.04 -0.20 0.77 -3.47 -1.11 0.00 0.00 175.55 171.57 2dad n ASP 51 N 3.98 0.55 -3.96 2.29 2.03 -1.26 -0.27 116.55 119.91 2dad n ASP 51 Ca -0.17 -2.01 -0.25 0.00 0.52 0.00 0.00 54.79 52.88 2dad n ASP 51 Cb 0.52 -0.25 -0.17 0.00 -0.72 0.00 0.00 41.12 40.50 2dad n ASP 51 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2dad s GLY 52 N -0.51 0.79 0.52 0.27 0.00 -1.02 -4.66 107.32 102.71 2dad s GLY 52 Ca 0.01 -0.45 -0.21 0.00 0.00 0.00 0.00 44.72 44.07 2dad s GLY 52 CO 0.00 0.46 0.83 1.18 0.00 0.00 0.00 173.10 175.57 2dad n GLU 53 N 4.35 0.92 -2.91 2.90 1.02 -1.26 -1.06 120.64 124.60 2dad n GLU 53 Ca -0.18 0.34 -0.17 0.00 -0.02 0.00 0.00 57.16 57.13 2dad n GLU 53 Cb 0.51 -1.95 0.03 0.00 -0.02 0.00 0.00 31.44 30.01 2dad n GLU 53 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2dad n ASN 54 N 0.16 -5.13 -3.87 1.62 3.02 -1.25 -2.58 115.26 107.23 2dad n ASN 54 Ca 0.12 -0.25 -0.28 0.00 -0.03 0.00 0.00 54.58 54.14 2dad n ASN 54 Cb 0.44 -3.94 0.02 0.00 -0.61 0.00 0.00 39.78 35.69 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 -4.25 -2.14 -3.96 3.10 3.72 -1.00 -4.97 117.46 107.95 2dad n PHE 55 Ca -0.08 0.88 -0.21 0.00 -0.05 0.00 0.00 57.45 57.99 2dad n PHE 55 Cb 0.59 -4.04 -0.04 0.00 -0.94 0.00 0.00 39.48 35.05 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 -3.44 4.13 0.00 4.37 -4.23 -0.22 -4.98 115.64 111.27 2dad s THR 56 Ca 0.45 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2dad s THR 56 Cb -0.23 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.26 2dad s THR 56 CO 0.83 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2dad n GLY 57 N -1.29 0.55 3.99 3.99 0.00 -1.26 -2.43 105.19 108.73 2dad n GLY 57 Ca -0.05 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 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 5.41 -0.01 1.61 0.01 -1.26 -5.02 114.94 111.68 2dad s ASN 58 Ca 0.00 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 2dad s ASN 58 Cb 0.00 -0.76 0.01 0.00 0.41 0.00 0.00 41.25 40.91 2dad s ASN 58 CO 0.00 -1.01 0.00 0.00 -1.51 0.00 0.00 177.10 174.58 2dad s GLN 59 N -4.60 0.11 -0.14 -0.60 -2.07 -1.26 -4.00 119.66 107.09 2dad s GLN 59 Ca 0.57 0.04 -0.01 0.00 -1.82 0.00 0.00 55.36 54.13 2dad s GLN 59 Cb -0.10 -0.22 0.04 0.00 -1.09 0.00 0.00 33.01 31.64 2dad s GLN 59 CO 0.36 -0.05 -0.04 0.71 -1.32 0.00 0.00 175.29 174.95 2dad s TYR 60 N 0.46 1.43 0.79 9.60 1.51 -0.94 -4.95 117.35 125.24 2dad s TYR 60 Ca -0.04 -0.85 -0.12 0.00 -1.01 0.00 0.00 57.07 55.05 2dad s TYR 60 Cb -0.06 -1.19 0.07 0.00 -0.11 0.00 0.00 41.96 40.66 2dad s TYR 60 CO -0.01 -0.55 1.14 0.14 -1.11 0.00 0.00 175.55 175.15 2dad s VAL 61 N 1.73 2.59 -0.12 0.71 -7.23 -1.26 -0.60 120.40 116.22 2dad s VAL 61 Ca 0.02 0.19 -0.05 0.00 -1.81 0.00 0.00 61.98 60.33 2dad s VAL 61 Cb -0.14 -3.12 0.06 0.00 0.56 0.00 0.00 36.38 33.73 2dad s VAL 61 CO -0.07 -0.25 0.25 -0.76 -0.31 0.00 0.00 175.10 173.96 2dad s LEU 62 N -5.60 -0.04 0.60 1.32 1.43 -0.01 -4.89 118.68 111.49 2dad s LEU 62 Ca 0.61 0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 54.17 2dad s LEU 62 Cb -0.12 0.69 -0.03 0.00 0.03 0.00 0.00 46.19 46.76 2dad s LEU 62 CO 0.51 -0.21 0.99 -1.61 0.23 0.00 0.00 176.35 176.25 2dad s GLU 63 N 2.00 3.48 -0.01 1.70 2.02 -1.26 -2.20 118.70 124.43 2dad s GLU 63 Ca -0.02 0.59 -0.34 0.00 0.02 0.00 0.00 54.97 55.21 2dad s GLU 63 Cb -0.11 -2.14 -0.12 0.00 0.10 0.00 0.00 34.13 31.86 2dad s GLU 63 CO -0.08 -0.55 1.81 -1.91 0.02 0.00 0.00 175.26 174.54 2dad n GLU 64 N -2.68 2.23 0.00 1.61 0.00 -1.26 -4.57 120.64 115.97 2dad n GLU 64 Ca 0.05 0.82 0.00 0.00 0.00 0.00 0.00 57.16 58.02 2dad n GLU 64 Cb 0.55 -2.65 0.00 0.00 0.00 0.00 0.00 31.44 29.34 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 4.16 3.42 3.66 8.31 0.00 -0.86 -4.96 105.19 118.91 2dad n GLY 65 Ca 0.21 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 2dad n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dad s HIS 66 N -2.00 3.35 -0.46 1.61 3.76 -1.26 -2.43 115.29 117.86 2dad s HIS 66 Ca 0.00 1.27 -0.10 0.00 -0.15 0.00 0.00 55.06 56.08 2dad s HIS 66 Cb 0.00 -3.11 0.10 0.00 1.11 0.00 0.00 32.58 30.69 2dad s HIS 66 CO 0.00 -0.38 0.32 0.71 -0.85 0.00 0.00 174.74 174.54 2dad s TYR 67 N 2.76 3.38 0.24 1.40 2.02 0.12 -4.94 117.35 122.33 2dad s TYR 67 Ca 0.39 -1.68 0.02 0.00 -0.37 0.00 0.00 57.07 55.42 2dad s TYR 67 Cb -0.16 -3.30 0.29 0.00 -0.40 0.00 0.00 41.96 38.39 2dad s TYR 67 CO 0.08 -0.93 1.62 -1.00 -1.57 0.00 0.00 175.55 173.75 2dad h PRO 68 N 8.47 0.42 -4.92 -1.71 0.13 -1.91 -1.53 132.00 130.96 2dad h PRO 68 Ca -0.23 -0.22 -0.42 0.00 -0.87 0.00 0.00 66.00 64.27 2dad h PRO 68 Cb 1.08 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.08 2dad h PRO 68 CO 0.83 0.79 -0.57 0.00 -0.23 0.00 0.00 178.00 178.82 2dad h LEU 70 N 2.20 0.23 -0.99 0.00 3.38 -1.64 -3.29 115.31 115.20 2dad h LEU 70 Ca -0.35 -0.68 0.15 0.00 0.09 0.00 0.00 57.88 57.09 2dad h LEU 70 Cb 1.25 -0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.77 2dad h LEU 70 CO 0.55 0.87 -0.39 -0.24 0.09 0.00 0.00 178.44 179.32 2dad n SER 71 N -4.56 -0.65 -0.28 -0.43 2.88 -1.26 0.15 113.62 109.47 2dad n SER 71 Ca -0.09 1.73 0.11 0.00 -1.33 0.00 0.00 58.87 59.29 2dad n SER 71 Cb 0.44 -0.39 0.36 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.34 1.79 0.00 -1.46 0.00 -1.92 0.57 119.26 119.58 2dad h ALA 72 Ca 0.34 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 2dad h ALA 72 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2dad h ALA 72 CO -0.98 -0.03 -0.71 0.52 0.00 0.00 0.00 179.25 178.05 2dad h MET 73 N 0.74 0.00 0.00 0.00 2.07 0.13 -3.48 114.93 114.39 2dad h MET 73 Ca 0.46 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.09 2dad h MET 73 Cb 0.69 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.42 2dad h MET 73 CO -0.22 0.71 0.00 0.41 1.07 0.00 0.00 176.91 178.88 2dad n GLY 74 N 0.67 2.31 3.48 8.32 0.00 1.00 -4.97 105.19 116.00 2dad n GLY 74 Ca -0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.12 2.11 -0.85 0.00 0.04 -1.26 -4.12 135.00 127.81 2dad s PRO 76 Ca 0.64 1.12 -0.25 0.00 0.04 0.00 0.00 61.00 62.56 2dad s PRO 76 Cb -0.31 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2dad s PRO 76 CO 0.59 -1.73 1.93 -1.25 0.04 0.00 0.00 177.00 176.58 2dad s PRO 77 N -4.91 2.57 0.00 0.56 0.04 -1.26 -3.28 135.00 128.72 2dad s PRO 77 Ca 0.61 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2dad s PRO 77 Cb -0.17 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.43 2dad s PRO 77 CO 0.56 -3.26 0.00 0.41 0.04 0.00 0.00 177.00 174.75 2dad n GLY 78 N 6.64 0.87 3.94 0.56 0.00 -1.26 -5.14 105.19 110.79 2dad n GLY 78 Ca 0.36 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.38 3.93 -0.19 4.61 0.00 -1.21 -5.09 121.76 123.43 2dad s ALA 79 Ca 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 2dad s ALA 79 Cb 0.00 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.44 2dad s ALA 79 CO 0.00 0.49 0.03 0.99 0.00 0.00 0.00 175.76 177.27 2dad s THR 80 N -1.78 0.53 0.14 0.00 2.01 -1.26 -3.42 115.64 111.86 2dad s THR 80 Ca 0.34 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 2dad s THR 80 Cb -0.11 -1.02 -0.07 0.00 0.01 0.00 0.00 72.50 71.32 2dad s THR 80 CO 0.28 -0.18 0.99 -0.36 -0.69 0.00 0.00 174.62 174.66 2dad s PHE 81 N 1.86 3.78 -0.07 4.92 0.08 -1.26 -4.18 117.98 123.11 2dad s PHE 81 Ca -0.01 1.76 0.07 0.00 0.12 0.00 0.00 56.93 58.88 2dad s PHE 81 Cb -0.17 -3.10 -0.10 0.00 -0.57 0.00 0.00 43.02 39.08 2dad s PHE 81 CO -0.08 0.03 0.05 1.63 -0.10 0.00 0.00 175.22 176.75 2dad n LYS 82 N 2.54 2.41 -4.09 0.44 4.01 0.63 -4.60 118.16 119.49 2dad n LYS 82 Ca 0.02 -0.01 -0.11 0.00 -0.51 0.00 0.00 58.31 57.70 2dad n LYS 82 Cb 0.48 -1.20 -0.11 0.00 -0.51 0.00 0.00 35.03 33.70 2dad n LYS 82 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2dad s SER 83 N -3.81 0.81 0.22 4.39 1.04 -0.99 -0.81 113.70 114.54 2dad s SER 83 Ca -0.04 -0.77 0.03 0.00 0.48 0.00 0.00 55.95 55.65 2dad s SER 83 Cb 0.03 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 2dad s SER 83 CO 0.32 -0.37 -0.00 -0.76 0.98 0.00 0.00 173.24 173.41 2dad s LEU 84 N -2.29 2.16 -0.28 2.42 1.43 0.90 -1.66 118.68 121.36 2dad s LEU 84 Ca -0.00 -1.21 0.01 0.00 -1.03 0.00 0.00 54.13 51.89 2dad s LEU 84 Cb -0.02 -0.22 0.16 0.00 0.03 0.00 0.00 46.19 46.14 2dad s LEU 84 CO -0.03 -0.53 0.41 -0.60 0.23 0.00 0.00 176.35 175.83 2dad s ARG 85 N -3.88 0.41 -0.36 1.70 3.52 -0.94 -2.84 118.95 116.56 2dad s ARG 85 Ca 0.28 0.23 -0.28 0.00 -0.13 0.00 0.00 55.73 55.83 2dad s ARG 85 Cb 0.06 -0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 33.11 2dad s ARG 85 CO 0.08 -0.95 1.92 0.12 -0.81 0.00 0.00 175.30 175.65 2dad s PHE 86 N 2.55 1.63 -0.65 5.12 5.36 -1.26 -2.52 117.98 128.22 2dad s PHE 86 Ca 0.10 0.70 -0.25 0.00 -0.96 0.00 0.00 56.93 56.53 2dad s PHE 86 Cb -0.13 -4.05 0.05 0.00 -0.34 0.00 0.00 43.02 38.55 2dad s PHE 86 CO -0.27 -3.02 1.08 0.42 -1.46 0.00 0.00 175.22 171.97 2dad s ILE 87 N 7.79 4.12 -0.45 3.12 1.01 0.44 -4.96 121.20 132.26 2dad s ILE 87 Ca 0.83 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 61.38 2dad s ILE 87 Cb -0.22 -4.73 -0.06 0.00 0.01 0.00 0.00 42.46 37.46 2dad s ILE 87 CO 0.32 -1.49 2.33 -0.94 0.00 0.00 0.00 174.94 175.15 2dad s SER 88 N 3.43 4.69 0.17 3.58 1.04 -1.26 -2.56 113.70 122.79 2dad s SER 88 Ca 0.30 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.92 2dad s SER 88 Cb -0.12 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2dad s SER 88 CO 0.15 -2.67 0.00 0.61 0.98 0.00 0.00 173.24 172.32 2dad n GLY 89 N 5.93 -4.87 3.64 7.32 0.00 -1.26 -4.99 105.19 110.95 2dad n GLY 89 Ca 0.34 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.48 -0.34 -0.12 1.61 0.04 -1.26 -4.86 135.00 128.58 2dad s PRO 90 Ca 0.00 0.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.00 2dad s PRO 90 Cb 0.00 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.86 2dad s PRO 90 CO 0.00 -3.19 1.02 -1.12 0.04 0.00 0.00 177.00 173.75 2dad s SER 91 N -3.63 7.22 0.03 6.66 0.01 -1.26 -5.03 113.70 117.69 2dad s SER 91 Ca 0.68 1.52 -0.08 0.00 1.31 0.00 0.00 55.95 59.38 2dad s SER 91 Cb -0.15 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 2dad s SER 91 CO 0.57 -0.49 0.33 -0.44 0.41 0.00 0.00 173.24 173.63 2dad s SER 92 N 1.13 6.58 0.00 2.44 0.01 -1.26 -5.24 113.70 117.35 2dad s SER 92 Ca 0.48 0.68 0.00 0.00 1.31 0.00 0.00 55.95 58.42 2dad s SER 92 Cb -0.18 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2dad s SER 92 CO 0.16 0.23 0.25 0.61 0.41 0.00 0.00 173.24 174.90