#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8j n SER 2 N 0.00 2.38 -3.59 1.61 3.41 -1.26 -5.05 113.62 111.12 2d8j n SER 2 Ca 0.00 -0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 2d8j n SER 2 Cb 0.00 0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 64.64 2d8j n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d8j s SER 3 N -4.31 -0.65 0.00 4.04 1.04 -1.26 -5.11 113.70 107.45 2d8j s SER 3 Ca -0.05 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.32 2d8j s SER 3 Cb 0.03 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.03 2d8j s SER 3 CO 0.44 -0.44 0.45 0.61 0.98 0.00 0.00 173.24 175.27 2d8j n GLY 4 N 1.69 -1.52 3.65 7.32 0.00 -1.26 -5.00 105.19 110.06 2d8j n GLY 4 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 2d8j n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8j s SER 5 N -1.90 -0.30 0.09 1.61 0.15 -1.26 -5.16 113.70 106.93 2d8j s SER 5 Ca 0.00 0.52 -0.23 0.00 0.70 0.00 0.00 55.95 56.94 2d8j s SER 5 Cb 0.00 0.87 -0.07 0.00 -1.71 0.00 0.00 66.02 65.12 2d8j s SER 5 CO 0.00 -0.09 0.70 -0.94 1.20 0.00 0.00 173.24 174.11 2d8j s SER 6 N 0.76 7.21 0.00 5.45 1.04 -1.26 -5.04 113.70 121.86 2d8j s SER 6 Ca -0.03 1.44 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2d8j s SER 6 Cb -0.04 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2d8j s SER 6 CO -0.12 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2d8j n GLY 7 N 1.96 1.00 3.29 7.32 0.00 -1.26 -5.13 105.19 112.37 2d8j n GLY 7 Ca -0.06 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 2d8j n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d8j s GLN 8 N -2.00 2.71 0.09 1.61 1.11 -1.26 -5.05 119.66 116.87 2d8j s GLN 8 Ca 0.00 -1.12 -0.10 0.00 0.01 0.00 0.00 55.36 54.16 2d8j s GLN 8 Cb 0.00 -3.45 -0.06 0.00 -1.01 0.00 0.00 33.01 28.49 2d8j s GLN 8 CO 0.00 -0.63 0.41 0.71 0.01 0.00 0.00 175.29 175.80 2d8j s TYR 9 N 1.43 3.57 0.11 0.91 2.02 -1.26 -0.10 117.35 124.02 2d8j s TYR 9 Ca -0.01 0.79 0.01 0.00 -0.37 0.00 0.00 57.07 57.49 2d8j s TYR 9 Cb -0.19 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 2d8j s TYR 9 CO 0.03 0.50 -0.04 -0.06 -1.57 0.00 0.00 175.55 174.41 2d8j s PHE 10 N -1.44 0.92 -0.07 2.71 0.40 0.92 -3.84 117.98 117.59 2d8j s PHE 10 Ca 0.34 -0.98 0.03 0.00 -0.60 0.00 0.00 56.93 55.72 2d8j s PHE 10 Cb -0.14 -0.54 0.01 0.00 0.51 0.00 0.00 43.02 42.86 2d8j s PHE 10 CO 0.19 -0.22 -0.15 0.54 0.70 0.00 0.00 175.22 176.28 2d8j s VAL 11 N -3.70 1.36 -0.05 -0.44 0.11 0.10 -1.31 120.40 116.48 2d8j s VAL 11 Ca 0.15 -0.62 -0.30 0.00 -2.93 0.00 0.00 61.98 58.28 2d8j s VAL 11 Cb 0.06 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.65 2d8j s VAL 11 CO -0.03 0.40 1.31 0.00 -3.33 0.00 0.00 175.10 173.46 2d8j s ALA 12 N 0.54 3.56 0.04 1.54 0.00 -1.18 -0.99 121.76 125.28 2d8j s ALA 12 Ca -0.15 0.72 0.08 0.00 0.00 0.00 0.00 51.96 52.61 2d8j s ALA 12 Cb -0.16 -3.57 -0.23 0.00 0.00 0.00 0.00 23.12 19.16 2d8j s ALA 12 CO 0.05 -0.91 1.00 -0.07 0.00 0.00 0.00 175.76 175.83 2d8j h LEU 13 N 8.56 0.05 -8.25 0.00 3.38 -1.05 0.64 115.31 118.63 2d8j h LEU 13 Ca -0.35 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.35 2d8j h LEU 13 Cb 1.16 -0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.72 2d8j h LEU 13 CO 0.90 1.05 -0.71 -0.36 0.09 0.00 0.00 178.44 179.42 2d8j s PHE 14 N -2.66 0.66 0.85 1.13 0.08 -1.23 -4.76 117.98 112.05 2d8j s PHE 14 Ca -0.02 -0.76 -0.11 0.00 0.12 0.00 0.00 56.93 56.16 2d8j s PHE 14 Cb 0.09 -0.41 0.11 0.00 -0.57 0.00 0.00 43.02 42.23 2d8j s PHE 14 CO 0.83 -0.18 1.10 0.16 -0.10 0.00 0.00 175.22 177.03 2d8j s ASP 15 N -2.35 3.71 -0.25 1.36 1.47 -1.26 -4.08 116.67 115.26 2d8j s ASP 15 Ca 0.00 1.82 -0.26 0.00 1.18 0.00 0.00 52.55 55.30 2d8j s ASP 15 Cb -0.01 -2.44 0.11 0.00 -0.34 0.00 0.00 42.92 40.23 2d8j s ASP 15 CO -0.04 -2.54 0.93 -0.47 0.68 0.00 0.00 175.17 173.73 2d8j s TYR 16 N -2.83 -0.55 -0.26 2.11 6.14 -0.46 -4.89 117.35 116.60 2d8j s TYR 16 Ca 0.63 1.29 0.02 0.00 0.64 0.00 0.00 57.07 59.66 2d8j s TYR 16 Cb -0.19 0.35 0.06 0.00 0.42 0.00 0.00 41.96 42.61 2d8j s TYR 16 CO 0.57 -0.30 -0.08 -1.14 0.64 0.00 0.00 175.55 175.24 2d8j s GLN 17 N 0.04 2.00 0.09 4.97 0.74 -1.26 -1.46 119.66 124.79 2d8j s GLN 17 Ca 0.01 -1.31 -0.36 0.00 0.05 0.00 0.00 55.36 53.75 2d8j s GLN 17 Cb -0.04 -2.84 -0.16 0.00 1.10 0.00 0.00 33.01 31.07 2d8j s GLN 17 CO -0.03 -0.62 1.38 0.00 -0.55 0.00 0.00 175.29 175.48 2d8j n ALA 18 N 4.48 -0.61 -0.04 1.58 0.00 -1.25 -4.90 120.51 119.77 2d8j n ALA 18 Ca -0.12 0.50 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 2d8j n ALA 18 Cb 0.42 -2.12 -0.13 0.00 0.00 0.00 0.00 19.45 17.63 2d8j n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8j h ARG 19 N 4.81 0.07 -6.11 0.00 2.47 -1.91 -3.47 114.38 110.25 2d8j h ARG 19 Ca -0.47 -0.10 -0.53 0.00 -1.26 0.00 0.00 59.98 57.61 2d8j h ARG 19 Cb 1.32 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.65 2d8j h ARG 19 CO 0.80 0.97 -0.48 0.95 0.56 0.00 0.00 179.97 182.76 2d8j s THR 20 N -2.63 5.11 0.19 2.04 -4.23 -1.26 -5.02 115.64 109.85 2d8j s THR 20 Ca -0.17 -0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 59.36 2d8j s THR 20 Cb -0.01 -3.66 0.13 0.00 1.34 0.00 0.00 72.50 70.29 2d8j s THR 20 CO 0.72 -0.15 1.70 0.00 -0.54 0.00 0.00 174.62 176.35 2d8j h ALA 21 N 1.98 0.56 -0.51 3.99 0.00 -2.04 -2.03 119.26 121.22 2d8j h ALA 21 Ca -0.49 0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.65 2d8j h ALA 21 Cb 1.20 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 19.08 2d8j h ALA 21 CO 0.66 -0.33 -0.20 0.93 0.00 0.00 0.00 179.25 180.31 2d8j h GLU 22 N 0.20 -0.08 -7.09 0.00 5.08 -1.98 -3.42 114.58 107.30 2d8j h GLU 22 Ca 0.26 0.01 -0.43 0.00 -1.00 0.00 0.00 59.36 58.19 2d8j h GLU 22 Cb 0.38 0.02 0.22 0.00 0.50 0.00 0.00 28.75 29.87 2d8j h GLU 22 CO -0.37 -0.05 -0.09 -0.25 -1.00 0.00 0.00 179.01 177.25 2d8j n ASP 23 N -5.40 -1.90 -4.22 1.42 8.00 -0.77 -3.08 116.55 110.60 2d8j n ASP 23 Ca 0.04 -0.20 -0.23 0.00 0.71 0.00 0.00 54.79 55.11 2d8j n ASP 23 Cb 0.31 -1.23 -0.14 0.00 -0.02 0.00 0.00 41.12 40.04 2d8j n ASP 23 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2d8j s LEU 24 N -6.97 2.19 0.23 0.64 2.96 -0.47 -4.51 118.68 112.75 2d8j s LEU 24 Ca 0.68 -0.53 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 2d8j s LEU 24 Cb -0.25 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 2d8j s LEU 24 CO 0.66 0.10 0.33 -0.55 -1.32 0.00 0.00 176.35 175.57 2d8j s SER 25 N -1.28 6.23 0.18 3.68 0.15 -1.26 -3.93 113.70 117.46 2d8j s SER 25 Ca 0.05 0.05 -0.24 0.00 0.70 0.00 0.00 55.95 56.52 2d8j s SER 25 Cb -0.09 -1.82 0.06 0.00 -1.71 0.00 0.00 66.02 62.47 2d8j s SER 25 CO 0.02 -0.05 0.96 0.72 1.20 0.00 0.00 173.24 176.09 2d8j s PHE 26 N -1.96 -0.07 0.24 3.44 -0.12 -0.53 -4.93 117.98 114.05 2d8j s PHE 26 Ca 0.34 -0.28 0.06 0.00 -0.05 0.00 0.00 56.93 57.00 2d8j s PHE 26 Cb -0.09 0.67 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 2d8j s PHE 26 CO 0.28 -0.91 -0.08 1.03 -0.05 0.00 0.00 175.22 175.49 2d8j s ARG 27 N -3.02 1.43 -0.18 1.99 1.81 -1.26 -1.36 118.95 118.36 2d8j s ARG 27 Ca 0.14 -1.70 -0.29 0.00 -1.72 0.00 0.00 55.73 52.17 2d8j s ARG 27 Cb -0.02 -1.05 -0.06 0.00 -0.45 0.00 0.00 34.95 33.37 2d8j s ARG 27 CO 0.04 0.07 2.18 0.00 -0.68 0.00 0.00 175.30 176.91 2d8j n ALA 28 N -0.48 1.72 0.00 2.13 0.00 -1.26 -2.03 120.51 120.59 2d8j n ALA 28 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2d8j n ALA 28 Cb 0.62 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.21 2d8j n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8j n GLY 29 N 5.59 1.82 3.45 0.00 0.00 0.22 -4.96 105.19 111.31 2d8j n GLY 29 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 2d8j n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d8j s ASP 30 N -2.00 5.43 -0.21 1.61 1.01 -0.86 -4.89 116.67 116.75 2d8j s ASP 30 Ca 0.00 -0.41 -0.29 0.00 0.71 0.00 0.00 52.55 52.56 2d8j s ASP 30 Cb 0.00 -1.98 -0.03 0.00 1.01 0.00 0.00 42.92 41.92 2d8j s ASP 30 CO 0.00 -0.14 1.63 -0.54 0.21 0.00 0.00 175.17 176.33 2d8j s LYS 31 N 1.62 3.80 -0.07 8.23 -0.14 -1.26 -3.13 119.74 128.78 2d8j s LYS 31 Ca 0.05 1.69 0.03 0.00 -1.36 0.00 0.00 55.97 56.38 2d8j s LYS 31 Cb -0.16 -4.04 0.01 0.00 -1.68 0.00 0.00 37.83 31.96 2d8j s LYS 31 CO 0.06 -1.29 -0.15 -0.51 -0.76 0.00 0.00 175.35 172.69 2d8j s LEU 32 N 5.21 1.76 -0.29 3.17 1.43 -0.43 -3.09 118.68 126.45 2d8j s LEU 32 Ca 0.72 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.29 2d8j s LEU 32 Cb -0.25 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 2d8j s LEU 32 CO 0.29 0.07 0.44 -1.58 0.23 0.00 0.00 176.35 175.81 2d8j s GLN 33 N 0.55 3.93 -0.03 1.70 0.74 -1.20 -0.05 119.66 125.29 2d8j s GLN 33 Ca -0.15 0.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.02 2d8j s GLN 33 Cb -0.16 -3.69 -0.05 0.00 1.10 0.00 0.00 33.01 30.21 2d8j s GLN 33 CO 0.05 -0.38 1.40 0.08 -0.55 0.00 0.00 175.29 175.89 2d8j s VAL 34 N 2.20 3.80 -0.19 1.34 1.01 0.85 -2.68 120.40 126.74 2d8j s VAL 34 Ca 0.17 1.14 -0.16 0.00 0.00 0.00 0.00 61.98 63.13 2d8j s VAL 34 Cb -0.16 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 2d8j s VAL 34 CO 0.10 -0.03 -0.33 0.18 0.00 0.00 0.00 175.10 175.03 2d8j n LEU 35 N 5.73 1.87 -4.54 3.92 4.77 0.67 -4.22 117.00 125.19 2d8j n LEU 35 Ca 0.14 0.32 -0.34 0.00 -0.03 0.00 0.00 56.01 56.09 2d8j n LEU 35 Cb 0.44 -0.73 -0.11 0.00 -2.33 0.00 0.00 43.42 40.68 2d8j n LEU 35 CO 0.58 -0.03 -0.34 -0.62 -1.33 0.00 0.00 177.39 175.65 2d8j s ASP 36 N -6.38 4.88 -0.19 -1.43 2.15 -0.90 -4.96 116.67 109.85 2d8j s ASP 36 Ca -0.30 -0.06 0.15 0.00 0.43 0.00 0.00 52.55 52.77 2d8j s ASP 36 Cb 0.07 -1.66 0.44 0.00 -0.30 0.00 0.00 42.92 41.47 2d8j s ASP 36 CO 0.42 0.23 1.19 0.35 -0.17 0.00 0.00 175.17 177.18 2d8j n THR 37 N 3.14 1.63 -0.00 1.71 -2.24 -1.26 -1.64 114.28 115.62 2d8j n THR 37 Ca -0.18 -2.90 -0.00 0.00 -2.27 0.00 0.00 64.05 58.71 2d8j n THR 37 Cb 0.53 0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2d8j n THR 37 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2d8j h SER 38 N 1.49 -0.01 -1.55 3.42 0.87 -1.95 -3.43 113.55 112.39 2d8j h SER 38 Ca 0.01 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.01 2d8j h SER 38 Cb 1.37 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 2d8j h SER 38 CO 0.22 0.05 1.55 1.57 -0.53 0.00 0.00 176.83 179.69 2d8j n HIS 39 N -2.34 1.62 -1.68 2.24 -0.00 -1.26 -4.85 115.22 108.96 2d8j n HIS 39 Ca -0.00 0.07 -0.51 0.00 -0.00 0.00 0.00 57.72 57.28 2d8j n HIS 39 Cb 0.00 -2.64 -0.05 0.00 -0.00 0.00 0.00 29.99 27.30 2d8j n HIS 39 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2d8j n GLU 40 N 8.72 1.76 0.00 1.57 1.02 -1.26 -2.23 120.64 130.23 2d8j n GLU 40 Ca 0.37 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 2d8j n GLU 40 Cb 0.41 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 2d8j n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d8j n GLY 41 N 3.92 2.70 3.64 0.62 0.00 -1.26 -4.98 105.19 109.83 2d8j n GLY 41 Ca 0.22 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 2d8j n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2d8j s TRP 42 N 0.00 3.32 0.18 1.61 0.52 -0.95 -1.03 118.94 122.60 2d8j s TRP 42 Ca 0.00 0.57 0.09 0.00 0.02 0.00 0.00 56.10 56.78 2d8j s TRP 42 Cb 0.00 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.70 2d8j s TRP 42 CO 0.00 -0.12 -0.12 -1.58 0.02 0.00 0.00 176.95 175.15 2d8j s TRP 43 N 1.72 2.57 -0.55 -1.98 0.51 0.54 -4.19 118.94 117.55 2d8j s TRP 43 Ca 0.19 -0.25 -0.16 0.00 -2.12 0.00 0.00 56.10 53.76 2d8j s TRP 43 Cb -0.15 -1.26 0.13 0.00 -0.81 0.00 0.00 33.47 31.38 2d8j s TRP 43 CO 0.09 0.51 0.52 -1.17 -0.51 0.00 0.00 176.95 176.39 2d8j s LEU 44 N -2.82 6.20 0.32 2.99 2.96 -0.65 0.09 118.68 127.78 2d8j s LEU 44 Ca 0.24 -1.83 0.09 0.00 -0.22 0.00 0.00 54.13 52.42 2d8j s LEU 44 Cb -0.09 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 2d8j s LEU 44 CO 0.14 -0.85 0.02 0.00 -1.32 0.00 0.00 176.35 174.34 2d8j s ALA 45 N 1.55 3.22 0.07 5.97 0.00 -0.83 -0.24 121.76 131.50 2d8j s ALA 45 Ca 0.04 -1.86 0.07 0.00 0.00 0.00 0.00 51.96 50.21 2d8j s ALA 45 Cb -0.29 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 2d8j s ALA 45 CO 0.02 0.12 -0.20 -0.98 0.00 0.00 0.00 175.76 174.73 2d8j s ARG 46 N -3.72 1.18 0.22 0.00 1.70 -1.09 -1.46 118.95 115.79 2d8j s ARG 46 Ca 0.34 -1.02 -0.31 0.00 -0.47 0.00 0.00 55.73 54.27 2d8j s ARG 46 Cb -0.02 -1.35 -0.11 0.00 -0.57 0.00 0.00 34.95 32.90 2d8j s ARG 46 CO 0.20 0.33 1.65 -1.01 -1.08 0.00 0.00 175.30 175.38 2d8j s HIS 47 N -1.00 2.90 -0.19 5.89 3.76 0.36 -3.25 115.29 123.78 2d8j s HIS 47 Ca 0.06 0.54 0.04 0.00 -0.15 0.00 0.00 55.06 55.55 2d8j s HIS 47 Cb -0.09 -4.06 -0.21 0.00 1.11 0.00 0.00 32.58 29.32 2d8j s HIS 47 CO 0.03 -3.88 0.07 1.28 -0.85 0.00 0.00 174.74 171.39 2d8j n LEU 48 N 3.44 2.10 -4.70 0.89 4.77 -1.18 -4.95 117.00 117.37 2d8j n LEU 48 Ca 0.13 0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.72 2d8j n LEU 48 Cb 0.37 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 2d8j n LEU 48 CO 0.63 0.78 0.95 -0.62 -1.33 0.00 0.00 177.39 177.80 2d8j n GLU 49 N -3.20 2.18 -3.17 3.23 1.02 -1.26 -4.94 120.64 114.51 2d8j n GLU 49 Ca -0.37 0.77 -0.43 0.00 -0.02 0.00 0.00 57.16 57.10 2d8j n GLU 49 Cb 1.04 -2.38 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 2d8j n GLU 49 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2d8j s LYS 50 N -1.67 3.16 -0.09 3.49 2.20 -1.26 -5.01 119.74 120.56 2d8j s LYS 50 Ca 0.57 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 2d8j s LYS 50 Cb -0.57 -4.04 0.08 0.00 -1.51 0.00 0.00 37.83 31.79 2d8j s LYS 50 CO 0.60 -1.12 0.73 -1.59 -0.36 0.00 0.00 175.35 173.61 2d8j s LYS 51 N 2.62 0.97 -0.34 4.03 -2.85 -1.26 -5.09 119.74 117.82 2d8j s LYS 51 Ca 0.17 0.34 0.16 0.00 -1.00 0.00 0.00 55.97 55.63 2d8j s LYS 51 Cb -0.17 0.46 0.43 0.00 -2.06 0.00 0.00 37.83 36.48 2d8j s LYS 51 CO 0.14 -0.28 0.90 0.41 0.10 0.00 0.00 175.35 176.62 2d8j n GLY 52 N 1.11 2.36 3.00 0.59 0.00 -1.26 -5.09 105.19 105.91 2d8j n GLY 52 Ca -0.17 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 2d8j n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d8j s THR 53 N -3.10 0.54 0.00 2.61 2.01 -1.26 -5.09 115.64 111.34 2d8j s THR 53 Ca 0.32 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.82 2d8j s THR 53 Cb 0.43 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.44 2d8j s THR 53 CO -0.01 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2d8j n GLY 54 N 2.53 -2.77 3.56 4.40 0.00 -1.26 -4.81 105.19 106.84 2d8j n GLY 54 Ca -0.15 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 2d8j n GLY 54 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d8j s LEU 55 N 0.00 3.38 -0.63 0.99 2.96 -1.26 -4.90 118.68 119.22 2d8j s LEU 55 Ca 0.00 0.96 0.04 0.00 -0.22 0.00 0.00 54.13 54.91 2d8j s LEU 55 Cb 0.00 -2.72 0.15 0.00 0.50 0.00 0.00 46.19 44.12 2d8j s LEU 55 CO 0.00 -2.51 0.40 -0.83 -1.32 0.00 0.00 176.35 172.09 2d8j s GLY 56 N 9.92 2.72 -0.14 7.98 0.00 -1.26 -4.88 107.32 121.65 2d8j s GLY 56 Ca 0.87 -3.57 -0.09 0.00 0.00 0.00 0.00 44.72 41.92 2d8j s GLY 56 CO 0.26 1.06 0.33 -1.06 0.00 0.00 0.00 173.10 173.68 2d8j n GLN 57 N 2.55 0.73 -4.09 2.90 1.13 -1.26 -4.97 117.38 114.36 2d8j n GLN 57 Ca 0.13 0.31 -0.14 0.00 -1.94 0.00 0.00 57.00 55.36 2d8j n GLN 57 Cb 0.34 -1.71 -0.11 0.00 0.11 0.00 0.00 30.24 28.86 2d8j n GLN 57 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2d8j s GLN 58 N -2.53 0.61 -0.09 -1.09 2.00 -1.26 -5.05 119.66 112.26 2d8j s GLN 58 Ca -0.24 -0.84 0.10 0.00 -2.00 0.00 0.00 55.36 52.38 2d8j s GLN 58 Cb 0.07 -0.41 -0.15 0.00 0.80 0.00 0.00 33.01 33.32 2d8j s GLN 58 CO 0.74 0.08 0.08 1.47 -0.50 0.00 0.00 175.29 177.15 2d8j n LEU 59 N 1.32 0.00 -3.92 3.68 -0.00 -1.26 -4.99 117.00 111.82 2d8j n LEU 59 Ca -0.22 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.63 2d8j n LEU 59 Cb 0.55 0.23 -0.15 0.00 -0.00 0.00 0.00 43.42 44.04 2d8j n LEU 59 CO 0.21 0.23 -0.40 0.00 -0.00 0.00 0.00 177.39 177.43 2d8j s GLN 60 N -2.37 0.44 0.00 1.47 -2.07 -1.26 -0.48 119.66 115.39 2d8j s GLN 60 Ca -0.05 -0.12 0.00 0.00 -1.82 0.00 0.00 55.36 53.37 2d8j s GLN 60 Cb 0.04 -0.47 0.00 0.00 -1.09 0.00 0.00 33.01 31.49 2d8j s GLN 60 CO 0.46 0.04 0.00 0.41 -1.32 0.00 0.00 175.29 174.88 2d8j n GLY 61 N 3.33 2.32 3.73 2.60 0.00 -0.54 -4.91 105.19 111.72 2d8j n GLY 61 Ca -0.17 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 2d8j n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d8j s TYR 62 N -6.38 3.73 -0.01 1.61 2.02 -1.18 -1.97 117.35 115.18 2d8j s TYR 62 Ca 0.00 1.60 -0.03 0.00 -0.37 0.00 0.00 57.07 58.27 2d8j s TYR 62 Cb 0.00 -2.95 -0.00 0.00 -0.40 0.00 0.00 41.96 38.60 2d8j s TYR 62 CO 0.00 0.18 0.06 0.96 -1.57 0.00 0.00 175.55 175.17 2d8j s ILE 63 N 0.26 0.05 0.20 2.71 -4.36 0.11 -1.37 121.20 118.80 2d8j s ILE 63 Ca 0.44 -0.38 -0.30 0.00 -0.26 0.00 0.00 60.65 60.15 2d8j s ILE 63 Cb -0.21 -0.21 -0.09 0.00 1.25 0.00 0.00 42.46 43.20 2d8j s ILE 63 CO 0.26 -0.21 1.30 -2.16 0.24 0.00 0.00 174.94 174.37 2d8j s PRO 64 N -0.64 4.40 0.32 0.37 0.04 -1.26 -0.34 135.00 137.89 2d8j s PRO 64 Ca -0.07 2.04 0.16 0.00 0.04 0.00 0.00 61.00 63.18 2d8j s PRO 64 Cb -0.04 -3.19 0.42 0.00 0.04 0.00 0.00 34.50 31.72 2d8j s PRO 64 CO 0.00 -0.24 1.61 0.66 0.04 0.00 0.00 177.00 179.07 2d8j h SER 65 N 5.28 0.00 0.42 6.66 4.64 -1.43 -2.92 113.55 126.20 2d8j h SER 65 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2d8j h SER 65 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2d8j h SER 65 CO 0.77 0.47 0.00 0.59 -0.87 0.00 0.00 176.83 177.79 2d8j n ASN 66 N -3.44 0.00 -0.04 4.97 4.13 -1.26 -2.01 115.26 117.61 2d8j n ASN 66 Ca 0.00 0.49 -0.00 0.00 1.68 0.00 0.00 54.58 56.75 2d8j n ASN 66 Cb 0.61 -0.49 -0.14 0.00 -1.54 0.00 0.00 39.78 38.21 2d8j n ASN 66 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2d8j n TYR 67 N -1.49 0.23 -4.02 3.10 4.02 -1.10 -4.99 117.16 112.90 2d8j n TYR 67 Ca 0.03 0.08 -0.27 0.00 -0.01 0.00 0.00 57.90 57.72 2d8j n TYR 67 Cb 0.14 -0.84 -0.02 0.00 -0.02 0.00 0.00 39.34 38.60 2d8j n TYR 67 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2d8j s VAL 68 N -2.96 1.62 0.30 -0.72 -7.23 -0.85 -0.40 120.40 110.15 2d8j s VAL 68 Ca -0.08 -1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 58.35 2d8j s VAL 68 Cb 0.09 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.87 2d8j s VAL 68 CO 0.85 0.00 0.67 0.00 -0.31 0.00 0.00 175.10 176.31 2d8j s ALA 69 N -2.78 -0.79 -0.52 1.32 0.00 -0.16 -4.84 121.76 114.01 2d8j s ALA 69 Ca 0.30 -0.60 -0.28 0.00 0.00 0.00 0.00 51.96 51.38 2d8j s ALA 69 Cb -0.01 0.88 0.03 0.00 0.00 0.00 0.00 23.12 24.02 2d8j s ALA 69 CO 0.19 -0.97 1.13 -2.00 0.00 0.00 0.00 175.76 174.10 2d8j s GLU 70 N -3.57 3.61 0.39 0.00 2.12 -1.26 0.01 118.70 120.00 2d8j s GLU 70 Ca 0.16 0.38 0.01 0.00 0.36 0.00 0.00 54.97 55.87 2d8j s GLU 70 Cb -0.04 -3.95 -0.02 0.00 0.26 0.00 0.00 34.13 30.38 2d8j s GLU 70 CO 0.09 -1.48 0.58 0.34 -0.54 0.00 0.00 175.26 174.26 2d8j s ASP 71 N 2.64 6.07 -0.37 -1.70 -1.08 -1.25 -4.91 116.67 116.07 2d8j s ASP 71 Ca 0.44 0.30 -0.12 0.00 -0.52 0.00 0.00 52.55 52.65 2d8j s ASP 71 Cb -0.08 -1.73 0.02 0.00 -1.46 0.00 0.00 42.92 39.67 2d8j s ASP 71 CO 0.29 -0.47 0.22 -0.55 0.52 0.00 0.00 175.17 175.17 2d8j s SER 72 N -4.13 5.80 0.00 -0.34 0.15 -1.26 -4.87 113.70 109.05 2d8j s SER 72 Ca 0.44 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2d8j s SER 72 Cb -0.10 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2d8j s SER 72 CO 0.36 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2d8j n GLY 73 N 5.04 0.47 0.00 9.45 0.00 -1.26 -4.81 105.19 114.08 2d8j n GLY 73 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.96 2d8j n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8j n PRO 74 N -0.11 0.49 -2.07 1.61 -0.04 -1.26 -4.81 135.00 128.81 2d8j n PRO 74 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2d8j n PRO 74 Cb 0.00 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 2d8j n PRO 74 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8j s SER 75 N -1.89 6.67 0.02 3.54 0.15 -1.26 -4.86 113.70 116.07 2d8j s SER 75 Ca 0.18 2.73 -0.33 0.00 0.70 0.00 0.00 55.95 59.23 2d8j s SER 75 Cb 0.08 -2.65 -0.17 0.00 -1.71 0.00 0.00 66.02 61.57 2d8j s SER 75 CO 0.14 -0.61 0.85 -0.24 1.20 0.00 0.00 173.24 174.58 2d8j n SER 76 N 0.68 -0.16 0.00 5.45 2.88 -1.26 -5.13 113.62 116.08 2d8j n SER 76 Ca 0.00 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2d8j n SER 76 Cb 0.42 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 2d8j n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42