#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 -0.85 1.61 0.87 -2.11 -3.03 113.55 110.03 2dad h SER 2 Ca 0.00 -0.24 0.16 0.00 -1.23 0.00 0.00 61.79 60.48 2dad h SER 2 Cb 0.00 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.86 2dad h SER 2 CO 0.00 0.23 0.41 0.77 -0.53 0.00 0.00 176.83 177.72 2dad h SER 3 N -0.27 0.47 -2.27 6.23 4.64 -2.13 -3.48 113.55 116.74 2dad h SER 3 Ca -0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2dad h SER 3 Cb 0.26 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2dad h SER 3 CO 0.00 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 2dad n GLY 4 N -1.33 -1.80 3.10 -0.77 0.00 -1.15 -5.05 105.19 98.21 2dad n GLY 4 Ca 0.18 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 2dad n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dad s SER 5 N -0.30 3.02 1.05 1.61 0.15 -1.26 -5.04 113.70 112.94 2dad s SER 5 Ca 0.00 -0.61 -0.12 0.00 0.70 0.00 0.00 55.95 55.92 2dad s SER 5 Cb 0.00 -1.41 0.22 0.00 -1.71 0.00 0.00 66.02 63.12 2dad s SER 5 CO 0.00 -0.00 1.07 -0.55 1.20 0.00 0.00 173.24 174.96 2dad s SER 6 N 1.27 1.92 0.17 5.45 0.15 -1.26 -4.83 113.70 116.56 2dad s SER 6 Ca 0.03 1.68 -0.04 0.00 0.70 0.00 0.00 55.95 58.32 2dad s SER 6 Cb -0.13 -2.34 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 2dad s SER 6 CO -0.11 -3.64 0.40 -0.83 1.20 0.00 0.00 173.24 170.26 2dad s GLY 7 N -2.73 2.14 -0.03 9.45 0.00 -1.20 -4.37 107.32 110.57 2dad s GLY 7 Ca 0.67 -0.59 -0.29 0.00 0.00 0.00 0.00 44.72 44.51 2dad s GLY 7 CO 0.61 -0.52 0.80 1.62 0.00 0.00 0.00 173.10 175.62 2dad s GLN 8 N -2.84 0.92 0.13 2.90 0.74 0.22 -4.72 119.66 117.00 2dad s GLN 8 Ca 0.41 -0.04 0.06 0.00 0.05 0.00 0.00 55.36 55.85 2dad s GLN 8 Cb -0.12 0.43 -0.04 0.00 1.10 0.00 0.00 33.01 34.38 2dad s GLN 8 CO 0.26 -0.34 -0.15 -1.50 -0.55 0.00 0.00 175.29 173.00 2dad s ILE 9 N -2.09 1.43 -0.17 -2.34 2.07 0.91 -1.88 121.20 119.13 2dad s ILE 9 Ca -0.03 -1.74 -0.05 0.00 -1.41 0.00 0.00 60.65 57.43 2dad s ILE 9 Cb -0.01 -1.58 0.06 0.00 0.13 0.00 0.00 42.46 41.06 2dad s ILE 9 CO -0.01 -0.38 0.09 -2.28 -1.91 0.00 0.00 174.94 170.45 2dad s HIS 10 N -2.07 0.24 0.13 3.50 2.46 0.26 -0.36 115.29 119.46 2dad s HIS 10 Ca 0.10 -0.34 -0.00 0.00 0.47 0.00 0.00 55.06 55.29 2dad s HIS 10 Cb -0.05 -0.71 -0.04 0.00 -0.13 0.00 0.00 32.58 31.65 2dad s HIS 10 CO 0.04 -0.52 0.30 -0.51 -2.47 0.00 0.00 174.74 171.58 2dad s LEU 11 N 2.12 4.31 -0.15 8.88 2.01 0.66 0.20 118.68 136.72 2dad s LEU 11 Ca 0.02 0.31 -0.02 0.00 0.01 0.00 0.00 54.13 54.45 2dad s LEU 11 Cb -0.16 -3.04 0.05 0.00 0.01 0.00 0.00 46.19 43.05 2dad s LEU 11 CO -0.09 0.07 0.01 -0.36 1.01 0.00 0.00 176.35 176.99 2dad s PHE 12 N -1.69 1.00 0.27 0.29 0.40 0.71 -1.02 117.98 117.95 2dad s PHE 12 Ca 0.36 -0.68 -0.08 0.00 -0.60 0.00 0.00 56.93 55.93 2dad s PHE 12 Cb -0.12 -1.00 0.45 0.00 0.51 0.00 0.00 43.02 42.86 2dad s PHE 12 CO 0.28 -0.53 1.58 1.03 0.70 0.00 0.00 175.22 178.28 2dad h SER 13 N 8.25 -0.80 -2.71 1.36 0.87 -1.44 -2.86 113.55 116.22 2dad h SER 13 Ca -0.18 0.27 -0.50 0.00 -1.23 0.00 0.00 61.79 60.15 2dad h SER 13 Cb 1.12 0.56 -0.01 0.00 -0.44 0.00 0.00 62.40 63.63 2dad h SER 13 CO 0.32 -0.31 -0.29 -1.61 -0.53 0.00 0.00 176.83 174.41 2dad s GLU 14 N -6.23 3.50 0.92 2.24 0.41 -0.93 -3.12 118.70 115.49 2dad s GLU 14 Ca -0.15 -0.41 -0.12 0.00 -0.41 0.00 0.00 54.97 53.89 2dad s GLU 14 Cb 0.26 -2.78 0.14 0.00 -1.78 0.00 0.00 34.13 29.97 2dad s GLU 14 CO 0.77 0.31 1.09 -1.25 -0.49 0.00 0.00 175.26 175.69 2dad s PRO 15 N -3.82 1.07 -1.65 0.39 0.04 -1.26 -2.93 135.00 126.84 2dad s PRO 15 Ca 0.38 0.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 2dad s PRO 15 Cb -0.10 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2dad s PRO 15 CO 0.32 -2.35 0.22 1.04 0.04 0.00 0.00 177.00 176.27 2dad n GLN 16 N -3.95 -2.81 -3.72 4.56 6.02 0.35 -2.15 117.38 115.69 2dad n GLN 16 Ca 0.07 0.95 -0.24 0.00 -0.01 0.00 0.00 57.00 57.76 2dad n GLN 16 Cb 0.56 -5.64 0.04 0.00 1.02 0.00 0.00 30.24 26.22 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 -4.20 -2.21 -4.40 1.08 3.72 -1.25 -4.99 117.46 105.21 2dad n PHE 17 Ca -0.19 0.90 -0.30 0.00 -0.05 0.00 0.00 57.45 57.81 2dad n PHE 17 Cb 0.66 -4.45 -0.05 0.00 -0.94 0.00 0.00 39.48 34.70 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 -6.14 2.22 3.13 -1.08 -1.52 -0.91 -5.04 119.66 110.31 2dad s GLN 18 Ca 0.29 -2.24 0.00 0.00 -1.95 0.00 0.00 55.36 51.46 2dad s GLN 18 Cb -0.14 -1.77 0.00 0.00 -0.22 0.00 0.00 33.01 30.88 2dad s GLN 18 CO 0.80 -0.45 0.00 0.41 -0.25 0.00 0.00 175.29 175.79 2dad n GLY 19 N -1.46 0.83 3.44 3.09 0.00 -1.26 -2.18 105.19 107.65 2dad n GLY 19 Ca -0.12 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.19 -3.79 1.61 -0.00 -1.26 -4.76 115.22 105.83 2dad n HIS 20 Ca 0.00 0.26 -0.13 0.00 0.46 0.00 0.00 57.72 58.31 2dad n HIS 20 Cb 0.00 -1.82 -0.11 0.00 -0.12 0.00 0.00 29.99 27.94 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 -2.01 -0.25 -0.09 0.26 1.04 -1.26 -1.59 113.70 109.80 2dad s SER 21 Ca 0.59 0.45 -0.04 0.00 0.48 0.00 0.00 55.95 57.43 2dad s SER 21 Cb -0.23 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.44 2dad s SER 21 CO 0.66 -0.13 0.18 -1.10 0.98 0.00 0.00 173.24 173.83 2dad s GLN 22 N -0.03 0.08 -0.06 4.02 -0.21 -0.19 -5.00 119.66 118.27 2dad s GLN 22 Ca -0.02 0.54 -0.00 0.00 0.02 0.00 0.00 55.36 55.90 2dad s GLN 22 Cb -0.02 -0.20 -0.03 0.00 1.00 0.00 0.00 33.01 33.76 2dad s GLN 22 CO 0.01 -0.25 -0.02 -1.54 -2.12 0.00 0.00 175.29 171.36 2dad s SER 23 N 1.93 5.01 -0.04 5.90 1.04 -1.26 -0.24 113.70 126.03 2dad s SER 23 Ca -0.02 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.50 2dad s SER 23 Cb -0.12 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.67 2dad s SER 23 CO -0.07 0.35 -0.13 -0.36 0.98 0.00 0.00 173.24 174.01 2dad s PHE 24 N -0.90 1.41 -0.15 5.02 0.40 0.52 -4.97 117.98 119.31 2dad s PHE 24 Ca 0.14 -0.41 0.09 0.00 -0.60 0.00 0.00 56.93 56.15 2dad s PHE 24 Cb -0.11 -0.98 -0.15 0.00 0.51 0.00 0.00 43.02 42.29 2dad s PHE 24 CO 0.04 -0.16 -0.02 -1.91 0.70 0.00 0.00 175.22 173.87 2dad n GLU 25 N 3.32 1.36 -3.49 0.44 2.13 -1.26 -0.06 120.64 123.07 2dad n GLU 25 Ca -0.19 0.03 -0.21 0.00 0.66 0.00 0.00 57.16 57.45 2dad n GLU 25 Cb 0.53 -1.35 -0.02 0.00 0.27 0.00 0.00 31.44 30.88 2dad n GLU 25 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2dad s GLU 26 N -2.34 2.52 -0.37 5.31 1.03 -1.26 -4.67 118.70 118.92 2dad s GLU 26 Ca -0.12 -1.56 -0.28 0.00 0.03 0.00 0.00 54.97 53.05 2dad s GLU 26 Cb 0.05 -2.42 -0.04 0.00 -0.80 0.00 0.00 34.13 30.92 2dad s GLU 26 CO 0.51 -0.30 2.05 0.99 -1.33 0.00 0.00 175.26 177.18 2dad s THR 27 N -2.50 3.23 0.26 1.83 2.01 -1.26 -4.77 115.64 114.43 2dad s THR 27 Ca 0.49 0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.53 2dad s THR 27 Cb -0.04 -3.38 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 2dad s THR 27 CO 0.29 -0.29 0.69 -0.89 -0.69 0.00 0.00 174.62 173.72 2dad s THR 28 N 8.72 4.69 -0.05 -0.82 2.01 -1.11 -4.94 115.64 124.13 2dad s THR 28 Ca 0.87 1.00 0.04 0.00 0.31 0.00 0.00 61.69 63.91 2dad s THR 28 Cb -0.23 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.51 2dad s THR 28 CO 0.30 0.01 0.01 -1.54 -0.69 0.00 0.00 174.62 172.71 2dad n SER 29 N 0.16 3.66 -4.05 3.53 3.41 -1.26 -0.01 113.62 119.05 2dad n SER 29 Ca 0.00 -0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 2dad n SER 29 Cb 0.52 0.57 -0.14 0.00 -0.26 0.00 0.00 64.21 64.90 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 -2.13 0.75 0.02 4.33 0.00 -1.11 -3.76 119.66 117.76 2dad s GLN 30 Ca -0.03 -0.47 -0.01 0.00 -0.00 0.00 0.00 55.36 54.84 2dad s GLN 30 Cb 0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 33.01 32.28 2dad s GLN 30 CO 0.21 0.18 0.19 0.42 0.00 0.00 0.00 175.29 176.30 2dad s ILE 31 N -0.50 5.38 -0.60 3.63 -1.09 -0.75 -4.91 121.20 122.36 2dad s ILE 31 Ca 0.01 -0.28 -0.30 0.00 -2.23 0.00 0.00 60.65 57.86 2dad s ILE 31 Cb -0.05 -3.56 -0.12 0.00 -1.58 0.00 0.00 42.46 37.14 2dad s ILE 31 CO 0.00 0.24 2.44 0.47 -1.23 0.00 0.00 174.94 176.87 2dad n ASP 32 N 0.66 1.71 -2.71 3.58 9.92 -1.26 -0.77 116.55 127.68 2dad n ASP 32 Ca -0.08 -0.08 -0.18 0.00 -0.53 0.00 0.00 54.79 53.91 2dad n ASP 32 Cb 0.52 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 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 12.86 -4.77 -3.11 -2.24 9.92 -1.26 -1.20 116.55 126.75 2dad n ASP 33 Ca 0.46 -0.05 -0.17 0.00 -0.53 0.00 0.00 54.79 54.50 2dad n ASP 33 Cb 0.32 -3.97 -0.01 0.00 -0.64 0.00 0.00 41.12 36.82 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 -2.08 -2.79 -4.65 -2.24 3.41 0.05 -4.77 113.62 100.56 2dad n SER 34 Ca -0.14 -0.15 -0.51 0.00 -0.26 0.00 0.00 58.87 57.81 2dad n SER 34 Cb 0.62 -2.38 -0.06 0.00 -0.26 0.00 0.00 64.21 62.13 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 -3.46 2.12 -0.91 7.33 1.16 -0.34 -4.84 117.46 118.51 2dad n PHE 35 Ca -0.02 0.20 -0.34 0.00 -1.87 0.00 0.00 57.45 55.43 2dad n PHE 35 Cb 0.53 -2.58 0.11 0.00 -1.61 0.00 0.00 39.48 35.93 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 6.97 -1.91 -3.71 5.98 7.64 -1.26 -4.71 113.62 122.62 2dad n SER 36 Ca 0.27 0.39 -0.16 0.00 1.01 0.00 0.00 58.87 60.38 2dad n SER 36 Cb 0.24 -1.21 -0.16 0.00 -1.01 0.00 0.00 64.21 62.07 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 -2.27 -0.12 -0.22 0.44 2.01 -1.26 -4.05 115.64 110.16 2dad s THR 37 Ca 0.59 0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.96 2dad s THR 37 Cb -0.24 -0.21 -0.20 0.00 0.01 0.00 0.00 72.50 71.86 2dad s THR 37 CO 0.65 0.12 -0.09 0.29 -0.69 0.00 0.00 174.62 174.90 2dad n LYS 38 N 4.72 0.71 -4.27 4.92 5.02 -1.09 -4.69 118.16 123.48 2dad n LYS 38 Ca -0.16 0.07 -0.19 0.00 -2.02 0.00 0.00 58.31 56.01 2dad n LYS 38 Cb 0.50 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 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 -5.97 2.24 0.26 4.39 1.04 -1.19 -2.61 113.70 111.87 2dad s SER 39 Ca -0.23 -0.83 -0.05 0.00 0.48 0.00 0.00 55.95 55.33 2dad s SER 39 Cb 0.07 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 2dad s SER 39 CO 0.68 -0.11 0.34 0.00 0.98 0.00 0.00 173.24 175.14 2dad s ARG 41 N -3.78 0.13 0.03 0.00 3.52 0.54 -2.14 118.95 117.25 2dad s ARG 41 Ca 0.32 -0.04 -0.12 0.00 -0.13 0.00 0.00 55.73 55.76 2dad s ARG 41 Cb 0.02 -1.52 -0.06 0.00 -1.56 0.00 0.00 34.95 31.84 2dad s ARG 41 CO 0.14 -0.72 0.39 0.08 -0.81 0.00 0.00 175.30 174.39 2dad s VAL 42 N 2.20 5.09 -0.28 7.11 1.01 -1.22 -0.57 120.40 133.74 2dad s VAL 42 Ca 0.05 0.62 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 2dad s VAL 42 Cb -0.16 -3.66 0.14 0.00 0.00 0.00 0.00 36.38 32.70 2dad s VAL 42 CO -0.14 0.44 0.57 -0.44 0.00 0.00 0.00 175.10 175.53 2dad s SER 43 N -1.41 -0.93 0.00 3.32 0.01 -0.79 -3.37 113.70 110.54 2dad s SER 43 Ca 0.28 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.67 2dad s SER 43 Cb -0.15 1.98 0.00 0.00 0.21 0.00 0.00 66.02 68.06 2dad s SER 43 CO 0.15 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2dad n GLY 44 N 5.43 0.74 0.00 3.44 0.00 -1.26 -0.61 105.19 112.92 2dad n GLY 44 Ca -0.07 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.99 2.30 3.87 -0.02 0.00 -1.26 -3.24 105.19 105.85 2dad n GLY 45 Ca 0.00 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 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 5.25 -0.04 1.61 0.01 -1.07 -4.65 113.70 114.81 2dad s SER 46 Ca 0.00 1.15 -0.01 0.00 1.31 0.00 0.00 55.95 58.40 2dad s SER 46 Cb 0.00 -1.93 0.03 0.00 0.21 0.00 0.00 66.02 64.34 2dad s SER 46 CO 0.00 -1.47 0.09 0.26 0.41 0.00 0.00 173.24 172.52 2dad s TRP 47 N -3.33 -0.06 -0.21 2.43 0.52 -0.73 -0.81 118.94 116.75 2dad s TRP 47 Ca 0.59 0.31 -0.10 0.00 0.02 0.00 0.00 56.10 56.91 2dad s TRP 47 Cb -0.12 -0.20 -0.05 0.00 -1.15 0.00 0.00 33.47 31.96 2dad s TRP 47 CO 0.52 -0.14 0.14 0.08 0.02 0.00 0.00 176.95 177.58 2dad s VAL 48 N 1.27 5.39 -0.21 4.03 1.01 -1.01 0.40 120.40 131.29 2dad s VAL 48 Ca -0.07 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 2dad s VAL 48 Cb -0.12 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2dad s VAL 48 CO -0.04 0.40 -0.06 0.68 0.00 0.00 0.00 175.10 176.08 2dad s VAL 49 N 0.62 3.24 0.02 2.92 -7.23 -0.61 -1.93 120.40 117.44 2dad s VAL 49 Ca 0.08 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 2dad s VAL 49 Cb -0.12 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2dad s VAL 49 CO 0.00 0.44 0.10 -0.31 -0.31 0.00 0.00 175.10 175.02 2dad s TYR 50 N 1.39 3.31 -0.50 2.82 1.51 -0.81 -2.38 117.35 122.68 2dad s TYR 50 Ca 0.05 0.19 0.24 0.00 -1.01 0.00 0.00 57.07 56.54 2dad s TYR 50 Cb -0.14 -1.72 0.39 0.00 -0.11 0.00 0.00 41.96 40.38 2dad s TYR 50 CO -0.04 0.56 1.51 0.38 -1.11 0.00 0.00 175.55 176.85 2dad h ASP 51 N 3.82 0.00 -2.12 2.29 2.03 -1.73 0.19 116.42 120.90 2dad h ASP 51 Ca -0.48 -0.03 -0.52 0.00 -0.73 0.00 0.00 57.03 55.27 2dad h ASP 51 Cb 1.18 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.62 2dad h ASP 51 CO 0.65 0.01 -0.54 -0.83 -1.03 0.00 0.00 179.24 177.50 2dad s GLY 52 N -4.02 1.56 0.52 7.15 0.00 -1.15 -4.40 107.32 106.99 2dad s GLY 52 Ca 0.06 -1.54 -0.18 0.00 0.00 0.00 0.00 44.72 43.07 2dad s GLY 52 CO 0.68 -1.56 1.01 -0.54 0.00 0.00 0.00 173.10 172.69 2dad s GLU 53 N -3.82 3.77 -1.10 2.90 2.02 -1.26 -3.58 118.70 117.62 2dad s GLU 53 Ca 0.34 1.14 -0.02 0.00 0.02 0.00 0.00 54.97 56.45 2dad s GLU 53 Cb -0.07 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.06 2dad s GLU 53 CO 0.24 -0.44 0.30 0.09 0.02 0.00 0.00 175.26 175.47 2dad n ASN 54 N -1.45 -4.57 -3.85 -0.19 3.02 -1.26 -2.68 115.26 104.29 2dad n ASN 54 Ca 0.08 -0.14 -0.28 0.00 -0.03 0.00 0.00 54.58 54.20 2dad n ASN 54 Cb 0.53 -3.51 0.03 0.00 -0.61 0.00 0.00 39.78 36.22 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 -4.08 -2.32 -3.33 3.10 3.72 -1.25 -4.98 117.46 108.33 2dad n PHE 55 Ca -0.10 0.91 -0.19 0.00 -0.05 0.00 0.00 57.45 58.02 2dad n PHE 55 Cb 0.59 -4.17 -0.01 0.00 -0.94 0.00 0.00 39.48 34.96 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 -3.36 3.29 0.00 4.37 -4.23 -1.09 -4.98 115.64 109.65 2dad s THR 56 Ca 0.56 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2dad s THR 56 Cb -0.28 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.43 2dad s THR 56 CO 0.82 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 2dad n GLY 57 N -1.68 0.41 3.92 3.99 0.00 -1.26 -2.93 105.19 107.64 2dad n GLY 57 Ca 0.04 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 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 6.03 0.02 1.61 0.01 -1.26 -5.00 114.94 112.35 2dad s ASN 58 Ca 0.00 0.70 0.04 0.00 -0.71 0.00 0.00 52.86 52.89 2dad s ASN 58 Cb 0.00 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.68 2dad s ASN 58 CO 0.00 -0.68 -0.11 0.00 -1.51 0.00 0.00 177.10 174.80 2dad s GLN 59 N -4.71 0.79 -0.24 -0.60 -2.07 -1.26 -3.70 119.66 107.87 2dad s GLN 59 Ca 0.48 -0.59 -0.03 0.00 -1.82 0.00 0.00 55.36 53.40 2dad s GLN 59 Cb -0.10 -0.75 0.08 0.00 -1.09 0.00 0.00 33.01 31.15 2dad s GLN 59 CO 0.43 0.19 0.09 0.71 -1.32 0.00 0.00 175.29 175.38 2dad s TYR 60 N -0.69 0.74 0.54 9.60 1.51 -1.00 -4.96 117.35 123.09 2dad s TYR 60 Ca 0.00 -0.89 -0.19 0.00 -1.01 0.00 0.00 57.07 54.99 2dad s TYR 60 Cb -0.06 -1.03 -0.06 0.00 -0.11 0.00 0.00 41.96 40.69 2dad s TYR 60 CO 0.01 -0.70 1.07 0.14 -1.11 0.00 0.00 175.55 174.96 2dad s VAL 61 N 1.95 3.56 -0.10 0.71 -7.23 -1.26 -1.57 120.40 116.46 2dad s VAL 61 Ca 0.05 0.91 0.00 0.00 -1.81 0.00 0.00 61.98 61.13 2dad s VAL 61 Cb -0.17 -3.36 0.02 0.00 0.56 0.00 0.00 36.38 33.43 2dad s VAL 61 CO -0.20 -0.27 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.47 2dad s LEU 62 N -3.87 1.32 1.02 1.32 1.43 0.16 -4.93 118.68 115.14 2dad s LEU 62 Ca 0.68 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.32 2dad s LEU 62 Cb -0.19 -0.84 0.21 0.00 0.03 0.00 0.00 46.19 45.40 2dad s LEU 62 CO 0.27 -0.08 1.22 -1.61 0.23 0.00 0.00 176.35 176.37 2dad s GLU 63 N 1.42 0.21 -0.34 1.70 0.41 -1.26 -1.78 118.70 119.07 2dad s GLU 63 Ca -0.00 -0.15 -0.29 0.00 -0.41 0.00 0.00 54.97 54.12 2dad s GLU 63 Cb -0.13 -1.77 0.00 0.00 -1.78 0.00 0.00 34.13 30.45 2dad s GLU 63 CO -0.05 -2.74 1.34 -2.00 -0.49 0.00 0.00 175.26 171.32 2dad s GLU 64 N -5.61 3.79 0.00 1.61 2.12 -1.26 -4.58 118.70 114.77 2dad s GLU 64 Ca 0.71 1.14 0.00 0.00 0.36 0.00 0.00 54.97 57.17 2dad s GLU 64 Cb -0.08 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.38 2dad s GLU 64 CO 0.54 -1.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.39 2dad n GLY 65 N 4.59 2.44 3.60 -1.50 0.00 -1.22 -5.02 105.19 108.09 2dad n GLY 65 Ca 0.15 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.00 2.91 -0.53 1.61 -3.43 -1.26 -3.43 115.29 109.16 2dad s HIS 66 Ca 0.00 0.76 -0.17 0.00 -0.80 0.00 0.00 55.06 54.85 2dad s HIS 66 Cb 0.00 -4.18 0.10 0.00 -1.43 0.00 0.00 32.58 27.07 2dad s HIS 66 CO 0.00 -1.13 0.52 0.71 -2.00 0.00 0.00 174.74 172.84 2dad s TYR 67 N 4.15 3.18 0.21 0.38 2.02 -0.91 -4.92 117.35 121.45 2dad s TYR 67 Ca 0.45 -1.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.08 2dad s TYR 67 Cb -0.09 -3.63 0.17 0.00 -0.40 0.00 0.00 41.96 38.01 2dad s TYR 67 CO 0.27 -1.01 1.56 -1.00 -1.57 0.00 0.00 175.55 173.81 2dad h PRO 68 N 8.92 0.61 -4.83 -1.71 0.13 -1.93 -2.76 132.00 130.43 2dad h PRO 68 Ca -0.29 -0.32 -0.33 0.00 -0.87 0.00 0.00 66.00 64.19 2dad h PRO 68 Cb 1.10 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.10 2dad h PRO 68 CO 1.00 0.92 -0.62 0.00 -0.23 0.00 0.00 178.00 179.07 2dad h LEU 70 N 2.44 0.56 -0.72 0.00 3.38 -1.84 -3.30 115.31 115.82 2dad h LEU 70 Ca -0.38 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.17 2dad h LEU 70 Cb 1.25 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 2dad h LEU 70 CO 0.60 0.94 -0.42 -0.24 0.09 0.00 0.00 178.44 179.40 2dad n SER 71 N -4.40 -0.76 -0.29 -0.43 2.88 -1.26 0.23 113.62 109.58 2dad n SER 71 Ca -0.05 1.37 0.23 0.00 -1.33 0.00 0.00 58.87 59.09 2dad n SER 71 Cb 0.43 -0.21 0.54 0.00 -0.75 0.00 0.00 64.21 64.22 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 0.26 2.33 0.00 -1.46 0.00 -1.94 0.46 119.26 118.91 2dad h ALA 72 Ca 0.11 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 2dad h ALA 72 Cb 0.29 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2dad h ALA 72 CO -0.68 -0.69 -0.83 0.52 0.00 0.00 0.00 179.25 177.57 2dad h MET 73 N 0.35 0.02 0.00 0.00 2.07 0.27 -3.48 114.93 114.16 2dad h MET 73 Ca 0.55 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 58.16 2dad h MET 73 Cb 1.49 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 31.23 2dad h MET 73 CO -0.22 0.84 0.00 0.41 1.07 0.00 0.00 176.91 179.01 2dad n GLY 74 N 0.86 2.31 3.56 8.32 0.00 0.16 -5.03 105.19 115.37 2dad n GLY 74 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.86 1.69 -0.85 0.00 0.04 -1.26 -4.36 135.00 127.39 2dad s PRO 76 Ca 0.72 0.97 -0.25 0.00 0.04 0.00 0.00 61.00 62.48 2dad s PRO 76 Cb -0.38 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2dad s PRO 76 CO 0.51 -1.98 1.93 -1.25 0.04 0.00 0.00 177.00 176.25 2dad s PRO 77 N -4.92 2.57 0.00 0.56 0.04 -1.26 -3.16 135.00 128.83 2dad s PRO 77 Ca 0.62 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.54 2dad s PRO 77 Cb -0.18 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.43 2dad s PRO 77 CO 0.57 -3.26 0.00 0.41 0.04 0.00 0.00 177.00 174.75 2dad n GLY 78 N 6.64 1.00 3.53 0.56 0.00 -1.26 -5.11 105.19 110.55 2dad n GLY 78 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.38 3.47 -0.27 4.61 0.00 -1.19 -5.05 121.76 121.95 2dad s ALA 79 Ca 0.00 -1.22 -0.13 0.00 0.00 0.00 0.00 51.96 50.62 2dad s ALA 79 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 2dad s ALA 79 CO 0.00 -1.23 0.26 0.99 0.00 0.00 0.00 175.76 175.79 2dad s THR 80 N 2.16 5.26 0.15 0.00 2.01 -1.26 -4.14 115.64 119.81 2dad s THR 80 Ca 0.14 0.34 -0.26 0.00 0.31 0.00 0.00 61.69 62.22 2dad s THR 80 Cb -0.16 -3.60 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 2dad s THR 80 CO 0.13 0.22 0.81 -0.36 -0.69 0.00 0.00 174.62 174.73 2dad s PHE 81 N 1.83 3.88 -0.02 4.92 0.08 -1.26 -4.20 117.98 123.21 2dad s PHE 81 Ca 0.10 1.66 0.02 0.00 0.12 0.00 0.00 56.93 58.83 2dad s PHE 81 Cb -0.16 -2.84 -0.02 0.00 -0.57 0.00 0.00 43.02 39.43 2dad s PHE 81 CO 0.10 0.43 0.00 1.63 -0.10 0.00 0.00 175.22 177.28 2dad n LYS 82 N 1.94 3.06 -4.08 0.44 5.02 0.68 -4.68 118.16 120.54 2dad n LYS 82 Ca -0.04 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.14 2dad n LYS 82 Cb 0.49 -1.05 -0.11 0.00 -0.02 0.00 0.00 35.03 34.34 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 -3.42 0.78 0.13 4.39 1.04 -1.19 -1.82 113.70 113.61 2dad s SER 83 Ca -0.01 -0.71 0.06 0.00 0.48 0.00 0.00 55.95 55.76 2dad s SER 83 Cb 0.01 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 2dad s SER 83 CO 0.08 -0.33 -0.13 -0.76 0.98 0.00 0.00 173.24 173.08 2dad s LEU 84 N -2.09 2.44 -0.24 2.42 1.43 0.98 -1.93 118.68 121.69 2dad s LEU 84 Ca -0.03 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.16 2dad s LEU 84 Cb -0.04 -0.49 0.09 0.00 0.03 0.00 0.00 46.19 45.78 2dad s LEU 84 CO -0.02 -0.20 0.17 -0.60 0.23 0.00 0.00 176.35 175.93 2dad s ARG 85 N -2.99 0.18 -0.30 1.70 3.52 -0.81 -2.76 118.95 117.50 2dad s ARG 85 Ca 0.11 -0.18 -0.28 0.00 -0.13 0.00 0.00 55.73 55.25 2dad s ARG 85 Cb -0.03 -1.25 -0.02 0.00 -1.56 0.00 0.00 34.95 32.09 2dad s ARG 85 CO 0.03 -0.85 1.82 0.12 -0.81 0.00 0.00 175.30 175.60 2dad s PHE 86 N 2.21 1.77 -0.57 5.12 5.36 -1.26 -2.39 117.98 128.22 2dad s PHE 86 Ca 0.07 0.58 -0.22 0.00 -0.96 0.00 0.00 56.93 56.40 2dad s PHE 86 Cb -0.16 -4.10 0.06 0.00 -0.34 0.00 0.00 43.02 38.48 2dad s PHE 86 CO -0.24 -3.11 0.85 0.42 -1.46 0.00 0.00 175.22 171.68 2dad s ILE 87 N 6.76 4.52 -0.47 3.12 1.01 0.01 -4.98 121.20 131.17 2dad s ILE 87 Ca 0.81 -0.17 -0.27 0.00 0.00 0.00 0.00 60.65 61.02 2dad s ILE 87 Cb -0.24 -4.51 -0.08 0.00 0.01 0.00 0.00 42.46 37.64 2dad s ILE 87 CO 0.34 -1.13 2.40 -1.54 0.00 0.00 0.00 174.94 175.00 2dad n SER 88 N 7.13 2.35 -0.77 3.58 3.41 -1.26 -2.59 113.62 125.48 2dad n SER 88 Ca -0.03 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 2dad n SER 88 Cb 0.46 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 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 6.02 -3.82 0.00 5.00 0.00 -1.26 -4.58 105.19 106.55 2dad n GLY 89 Ca 0.38 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.82 0.49 0.36 1.61 -0.04 -1.26 -3.63 135.00 131.71 2dad n PRO 90 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 2dad n PRO 90 Cb 0.00 -1.24 -0.09 0.00 -0.04 0.00 0.00 33.50 32.13 2dad n PRO 90 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dad h SER 91 N 0.00 -0.76 -5.00 3.54 0.87 -1.94 -3.46 113.55 106.80 2dad h SER 91 Ca 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 2dad h SER 91 Cb 0.00 0.20 -0.20 0.00 -0.44 0.00 0.00 62.40 61.96 2dad h SER 91 CO 0.00 -0.50 -0.27 -0.44 -0.53 0.00 0.00 176.83 175.09 2dad s SER 92 N -4.44 -0.18 0.00 6.23 0.01 -1.24 -5.22 113.70 108.86 2dad s SER 92 Ca -0.17 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2dad s SER 92 Cb 0.03 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2dad s SER 92 CO 0.59 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.38