#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8j s SER 2 N 0.00 -0.29 -0.30 1.61 0.15 -1.26 -5.10 113.70 108.51 2d8j s SER 2 Ca 0.00 -0.47 -0.30 0.00 0.70 0.00 0.00 55.95 55.88 2d8j s SER 2 Cb 0.00 0.65 -0.07 0.00 -1.71 0.00 0.00 66.02 64.89 2d8j s SER 2 CO 0.00 -1.19 2.25 -1.20 1.20 0.00 0.00 173.24 174.30 2d8j n SER 3 N -0.44 2.78 -0.29 5.45 7.64 -1.26 -3.99 113.62 123.50 2d8j n SER 3 Ca -0.06 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2d8j n SER 3 Cb 0.60 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 2d8j n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8j n GLY 4 N 6.04 -0.58 3.55 0.23 0.00 -1.26 -4.97 105.19 108.21 2d8j n GLY 4 Ca 0.35 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 2d8j n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8j s SER 5 N -0.03 5.40 -0.07 1.61 0.01 -1.26 -4.97 113.70 114.40 2d8j s SER 5 Ca 0.00 -0.02 -0.03 0.00 1.31 0.00 0.00 55.95 57.20 2d8j s SER 5 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 2d8j s SER 5 CO 0.00 -2.35 0.08 -0.94 0.41 0.00 0.00 173.24 170.45 2d8j s SER 6 N 7.43 5.84 -0.30 2.44 1.04 -1.26 -5.00 113.70 123.89 2d8j s SER 6 Ca 0.63 0.27 0.12 0.00 0.48 0.00 0.00 55.95 57.45 2d8j s SER 6 Cb -0.10 -1.76 0.37 0.00 0.10 0.00 0.00 66.02 64.62 2d8j s SER 6 CO 0.15 0.35 1.49 0.61 0.98 0.00 0.00 173.24 176.82 2d8j n GLY 7 N 1.74 1.90 3.57 7.32 0.00 -1.26 -5.09 105.19 113.37 2d8j n GLY 7 Ca -0.17 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 0.12 3.10 -0.17 1.61 -0.21 -1.26 -4.98 119.66 117.87 2d8j s GLN 8 Ca 0.08 0.72 -0.11 0.00 0.02 0.00 0.00 55.36 56.07 2d8j s GLN 8 Cb 0.40 -4.22 -0.05 0.00 1.00 0.00 0.00 33.01 30.14 2d8j s GLN 8 CO -0.12 -2.16 0.18 0.71 -2.12 0.00 0.00 175.29 171.79 2d8j s TYR 9 N 7.16 3.46 0.24 0.91 2.02 -1.26 -1.13 117.35 128.74 2d8j s TYR 9 Ca 0.63 0.45 0.10 0.00 -0.37 0.00 0.00 57.07 57.88 2d8j s TYR 9 Cb -0.14 -2.18 -0.05 0.00 -0.40 0.00 0.00 41.96 39.19 2d8j s TYR 9 CO 0.26 0.35 -0.18 -0.06 -1.57 0.00 0.00 175.55 174.35 2d8j s PHE 10 N 0.15 2.04 -0.09 2.71 0.40 -0.26 -2.97 117.98 119.96 2d8j s PHE 10 Ca 0.12 -0.43 0.04 0.00 -0.60 0.00 0.00 56.93 56.06 2d8j s PHE 10 Cb -0.12 -0.92 -0.00 0.00 0.51 0.00 0.00 43.02 42.49 2d8j s PHE 10 CO 0.01 0.55 -0.23 0.08 0.70 0.00 0.00 175.22 176.32 2d8j s VAL 11 N -2.60 1.98 -0.36 -0.44 1.01 -0.24 -2.68 120.40 117.07 2d8j s VAL 11 Ca 0.26 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 2d8j s VAL 11 Cb -0.04 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2d8j s VAL 11 CO 0.11 0.54 1.28 0.00 0.00 0.00 0.00 175.10 177.03 2d8j s ALA 12 N 0.29 3.26 0.17 5.51 0.00 -1.25 0.12 121.76 129.86 2d8j s ALA 12 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2d8j s ALA 12 Cb -0.17 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.13 2d8j s ALA 12 CO 0.08 -1.98 1.39 -0.07 0.00 0.00 0.00 175.76 175.17 2d8j h LEU 13 N 11.19 0.37 -8.57 0.00 3.38 -0.88 0.30 115.31 121.09 2d8j h LEU 13 Ca -0.25 -0.27 -0.28 0.00 0.09 0.00 0.00 57.88 57.16 2d8j h LEU 13 Cb 1.09 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 2d8j h LEU 13 CO 1.06 1.05 -0.70 -0.36 0.09 0.00 0.00 178.44 179.58 2d8j s PHE 14 N -3.36 1.11 0.60 1.13 0.40 -1.19 -4.78 117.98 111.89 2d8j s PHE 14 Ca -0.04 -0.87 -0.14 0.00 -0.60 0.00 0.00 56.93 55.28 2d8j s PHE 14 Cb 0.10 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.98 2d8j s PHE 14 CO 0.84 -0.06 1.03 0.16 0.70 0.00 0.00 175.22 177.88 2d8j s ASP 15 N -3.12 6.03 -0.27 1.36 1.47 -1.26 -4.12 116.67 116.76 2d8j s ASP 15 Ca 0.16 1.62 -0.25 0.00 1.18 0.00 0.00 52.55 55.26 2d8j s ASP 15 Cb 0.04 -2.50 0.07 0.00 -0.34 0.00 0.00 42.92 40.19 2d8j s ASP 15 CO -0.01 -1.00 0.73 -0.47 0.68 0.00 0.00 175.17 175.11 2d8j s TYR 16 N -2.79 -0.78 -0.22 2.11 5.04 -0.56 -4.94 117.35 115.21 2d8j s TYR 16 Ca 0.59 1.90 -0.01 0.00 -2.44 0.00 0.00 57.07 57.11 2d8j s TYR 16 Cb -0.13 0.28 0.02 0.00 0.35 0.00 0.00 41.96 42.48 2d8j s TYR 16 CO 0.43 -0.38 -0.10 -1.14 -1.34 0.00 0.00 175.55 173.02 2d8j s GLN 17 N 0.40 2.97 0.30 4.97 0.74 -1.26 -1.25 119.66 126.53 2d8j s GLN 17 Ca -0.00 -0.87 -0.27 0.00 0.05 0.00 0.00 55.36 54.26 2d8j s GLN 17 Cb -0.05 -2.87 -0.14 0.00 1.10 0.00 0.00 33.01 31.05 2d8j s GLN 17 CO 0.00 -0.31 0.91 0.00 -0.55 0.00 0.00 175.29 175.34 2d8j n ALA 18 N 4.67 -0.63 0.01 1.58 0.00 -1.25 -4.90 120.51 119.99 2d8j n ALA 18 Ca -0.18 0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.67 2d8j n ALA 18 Cb 0.48 -1.95 -0.11 0.00 0.00 0.00 0.00 19.45 17.88 2d8j n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2d8j n ARG 19 N 0.70 0.64 -4.10 0.00 5.12 -1.26 -4.94 116.66 112.82 2d8j n ARG 19 Ca 0.11 0.03 -0.08 0.00 -1.93 0.00 0.00 57.85 55.98 2d8j n ARG 19 Cb 0.32 -1.67 -0.10 0.00 -1.16 0.00 0.00 32.46 29.85 2d8j n ARG 19 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2d8j s THR 20 N -3.15 0.20 0.41 0.55 -4.23 -1.26 -5.03 115.64 103.14 2d8j s THR 20 Ca -0.05 -1.83 0.20 0.00 -1.18 0.00 0.00 61.69 58.83 2d8j s THR 20 Cb 0.10 -1.63 0.40 0.00 1.34 0.00 0.00 72.50 72.72 2d8j s THR 20 CO 0.84 -0.89 1.79 0.00 -0.54 0.00 0.00 174.62 175.82 2d8j h ALA 21 N 3.09 2.31 -0.19 3.99 0.00 -2.03 0.27 119.26 126.70 2d8j h ALA 21 Ca -0.34 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2d8j h ALA 21 Cb 1.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2d8j h ALA 21 CO 0.65 -0.68 0.07 0.93 0.00 0.00 0.00 179.25 180.21 2d8j h GLU 22 N 0.36 0.29 -7.28 0.00 5.08 -1.95 -3.44 114.58 107.63 2d8j h GLU 22 Ca 0.57 -0.06 -0.52 0.00 -1.00 0.00 0.00 59.36 58.35 2d8j h GLU 22 Cb 1.51 -0.04 0.14 0.00 0.50 0.00 0.00 28.75 30.85 2d8j h GLU 22 CO -0.25 0.38 0.31 -0.51 -1.00 0.00 0.00 179.01 177.95 2d8j s ASP 23 N -5.63 4.29 0.04 1.42 1.01 0.08 -1.32 116.67 116.56 2d8j s ASP 23 Ca -0.14 1.94 0.09 0.00 0.71 0.00 0.00 52.55 55.15 2d8j s ASP 23 Cb 0.07 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 2d8j s ASP 23 CO 0.71 -2.18 -0.24 -0.22 0.21 0.00 0.00 175.17 173.44 2d8j s LEU 24 N -5.86 2.26 0.00 1.23 2.96 -0.49 -4.58 118.68 114.20 2d8j s LEU 24 Ca 0.63 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2d8j s LEU 24 Cb -0.19 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 2d8j s LEU 24 CO 0.54 0.26 0.18 -0.44 -1.32 0.00 0.00 176.35 175.57 2d8j s SER 25 N -1.22 6.32 0.28 3.68 0.01 -1.26 -3.90 113.70 117.61 2d8j s SER 25 Ca 0.12 0.32 -0.18 0.00 1.31 0.00 0.00 55.95 57.52 2d8j s SER 25 Cb -0.10 -1.97 0.02 0.00 0.21 0.00 0.00 66.02 64.18 2d8j s SER 25 CO 0.02 0.25 0.67 0.72 0.41 0.00 0.00 173.24 175.32 2d8j s PHE 26 N -1.34 -0.03 0.36 2.43 -0.12 -0.38 -4.92 117.98 113.98 2d8j s PHE 26 Ca 0.28 -0.43 0.07 0.00 -0.05 0.00 0.00 56.93 56.80 2d8j s PHE 26 Cb -0.13 0.60 -0.07 0.00 -0.63 0.00 0.00 43.02 42.80 2d8j s PHE 26 CO 0.20 -1.22 -0.01 1.03 -0.05 0.00 0.00 175.22 175.17 2d8j s ARG 27 N -3.77 1.80 -0.13 1.99 0.52 -1.26 -1.50 118.95 116.61 2d8j s ARG 27 Ca 0.14 -1.98 -0.29 0.00 -0.52 0.00 0.00 55.73 53.08 2d8j s ARG 27 Cb -0.05 -1.40 -0.06 0.00 0.52 0.00 0.00 34.95 33.96 2d8j s ARG 27 CO 0.08 -0.03 2.00 0.00 0.02 0.00 0.00 175.30 177.37 2d8j s ALA 28 N -2.87 3.14 0.00 2.13 0.00 -1.26 -1.98 121.76 120.92 2d8j s ALA 28 Ca 0.34 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2d8j s ALA 28 Cb 0.07 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2d8j s ALA 28 CO 0.16 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 174.15 2d8j n GLY 29 N 5.10 1.39 3.51 0.00 0.00 0.11 -4.99 105.19 110.30 2d8j n GLY 29 Ca 0.24 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.17 6.12 0.07 1.61 1.11 -0.84 -4.87 116.67 117.70 2d8j s ASP 30 Ca 0.00 -0.54 -0.30 0.00 0.18 0.00 0.00 52.55 51.89 2d8j s ASP 30 Cb 0.00 -2.17 -0.09 0.00 1.07 0.00 0.00 42.92 41.73 2d8j s ASP 30 CO 0.00 -0.37 1.82 -0.54 1.18 0.00 0.00 175.17 177.26 2d8j s LYS 31 N 1.85 4.15 -0.01 8.23 -0.14 -1.26 -3.79 119.74 128.77 2d8j s LYS 31 Ca 0.08 2.51 0.01 0.00 -1.36 0.00 0.00 55.97 57.21 2d8j s LYS 31 Cb -0.18 -3.80 0.00 0.00 -1.68 0.00 0.00 37.83 32.18 2d8j s LYS 31 CO 0.11 -0.85 -0.04 -0.51 -0.76 0.00 0.00 175.35 173.30 2d8j s LEU 32 N 3.36 1.84 -0.27 3.17 1.43 -1.09 -3.61 118.68 123.50 2d8j s LEU 32 Ca 0.81 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 2d8j s LEU 32 Cb -0.42 -0.23 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 2d8j s LEU 32 CO 0.36 0.02 0.20 -1.58 0.23 0.00 0.00 176.35 175.59 2d8j s GLN 33 N 0.14 3.97 -0.39 1.70 0.74 -1.14 -1.10 119.66 123.59 2d8j s GLN 33 Ca -0.01 -0.28 -0.29 0.00 0.05 0.00 0.00 55.36 54.83 2d8j s GLN 33 Cb -0.04 -3.65 0.02 0.00 1.10 0.00 0.00 33.01 30.44 2d8j s GLN 33 CO -0.00 -0.16 1.11 0.08 -0.55 0.00 0.00 175.29 175.76 2d8j s VAL 34 N 1.71 4.37 -0.22 1.34 1.01 -0.29 -2.09 120.40 126.23 2d8j s VAL 34 Ca 0.08 1.51 -0.16 0.00 0.00 0.00 0.00 61.98 63.40 2d8j s VAL 34 Cb -0.16 -4.49 -0.12 0.00 0.00 0.00 0.00 36.38 31.61 2d8j s VAL 34 CO 0.10 -0.71 -0.16 0.18 0.00 0.00 0.00 175.10 174.51 2d8j n LEU 35 N 7.31 1.91 -4.62 3.92 4.77 0.09 -4.49 117.00 125.89 2d8j n LEU 35 Ca 0.12 0.40 -0.34 0.00 -0.03 0.00 0.00 56.01 56.16 2d8j n LEU 35 Cb 0.48 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 2d8j n LEU 35 CO 0.65 0.21 -0.28 -0.62 -1.33 0.00 0.00 177.39 176.01 2d8j s ASP 36 N -6.81 5.41 -0.06 -1.43 -1.08 -0.63 -4.95 116.67 107.12 2d8j s ASP 36 Ca -0.31 0.06 0.20 0.00 -0.52 0.00 0.00 52.55 51.98 2d8j s ASP 36 Cb 0.09 -1.85 0.39 0.00 -1.46 0.00 0.00 42.92 40.09 2d8j s ASP 36 CO 0.47 0.22 1.17 0.35 0.52 0.00 0.00 175.17 177.91 2d8j n THR 37 N 3.21 0.66 0.00 1.71 -2.24 -1.26 -1.65 114.28 114.71 2d8j n THR 37 Ca -0.17 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 2d8j n THR 37 Cb 0.53 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 2d8j n THR 37 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2d8j n SER 38 N -0.04 0.00 -4.52 3.42 7.64 -1.26 -4.66 113.62 114.21 2d8j n SER 38 Ca 0.09 0.40 -0.41 0.00 1.01 0.00 0.00 58.87 59.97 2d8j n SER 38 Cb 0.98 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 63.85 2d8j n SER 38 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2d8j n HIS 39 N -1.27 1.24 -1.61 1.43 -0.00 -1.26 -4.80 115.22 108.95 2d8j n HIS 39 Ca 0.00 0.21 -0.54 0.00 -0.00 0.00 0.00 57.72 57.40 2d8j n HIS 39 Cb 0.00 -2.55 -0.07 0.00 -0.00 0.00 0.00 29.99 27.37 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 8.69 1.31 0.00 1.57 1.02 -1.26 -2.16 120.64 129.81 2d8j n GLU 40 Ca 0.46 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 58.04 2d8j n GLU 40 Cb 0.33 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 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 5.10 2.71 3.72 0.62 0.00 -1.26 -5.04 105.19 111.04 2d8j n GLY 41 Ca 0.31 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 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 3.43 0.08 1.61 0.52 -0.92 -1.81 118.94 121.85 2d8j s TRP 42 Ca 0.00 0.49 0.09 0.00 0.02 0.00 0.00 56.10 56.70 2d8j s TRP 42 Cb 0.00 -2.30 -0.03 0.00 -1.15 0.00 0.00 33.47 29.99 2d8j s TRP 42 CO 0.00 0.22 -0.25 -1.58 0.02 0.00 0.00 176.95 175.36 2d8j s TRP 43 N 0.56 2.13 -0.54 -1.98 0.51 -0.43 -4.31 118.94 114.88 2d8j s TRP 43 Ca 0.13 -0.40 -0.19 0.00 -2.12 0.00 0.00 56.10 53.53 2d8j s TRP 43 Cb -0.13 -1.22 0.08 0.00 -0.81 0.00 0.00 33.47 31.40 2d8j s TRP 43 CO 0.02 0.21 0.64 -1.17 -0.51 0.00 0.00 176.95 176.14 2d8j s LEU 44 N -1.62 5.23 0.51 2.99 2.96 -0.66 -0.55 118.68 127.55 2d8j s LEU 44 Ca 0.11 -1.18 0.04 0.00 -0.22 0.00 0.00 54.13 52.87 2d8j s LEU 44 Cb -0.10 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.24 2d8j s LEU 44 CO 0.04 -0.96 0.19 0.00 -1.32 0.00 0.00 176.35 174.29 2d8j s ALA 45 N 2.55 4.17 0.08 5.97 0.00 -0.93 -0.73 121.76 132.86 2d8j s ALA 45 Ca 0.12 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2d8j s ALA 45 Cb -0.22 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 2d8j s ALA 45 CO 0.09 -0.22 -0.11 -0.98 0.00 0.00 0.00 175.76 174.54 2d8j s ARG 46 N -4.05 0.80 -0.15 0.00 1.70 -0.89 -2.18 118.95 114.19 2d8j s ARG 46 Ca 0.22 -1.04 -0.29 0.00 -0.47 0.00 0.00 55.73 54.14 2d8j s ARG 46 Cb 0.00 -0.61 -0.01 0.00 -0.57 0.00 0.00 34.95 33.76 2d8j s ARG 46 CO 0.13 0.11 1.10 -1.01 -1.08 0.00 0.00 175.30 174.55 2d8j s HIS 47 N -1.92 3.27 -0.14 5.89 3.76 0.38 -2.89 115.29 123.65 2d8j s HIS 47 Ca 0.01 1.38 -0.10 0.00 -0.15 0.00 0.00 55.06 56.20 2d8j s HIS 47 Cb -0.06 -3.32 -0.25 0.00 1.11 0.00 0.00 32.58 30.07 2d8j s HIS 47 CO 0.01 -0.78 0.33 1.28 -0.85 0.00 0.00 174.74 174.73 2d8j n LEU 48 N 5.78 2.47 -4.69 0.89 4.77 -1.24 -4.91 117.00 120.07 2d8j n LEU 48 Ca 0.11 0.26 -0.62 0.00 -0.03 0.00 0.00 56.01 55.73 2d8j n LEU 48 Cb 0.47 -1.09 -0.08 0.00 -2.33 0.00 0.00 43.42 40.38 2d8j n LEU 48 CO 0.53 0.73 1.11 -0.62 -1.33 0.00 0.00 177.39 177.81 2d8j n GLU 49 N -3.69 0.46 -3.92 3.23 1.02 -1.26 -4.92 120.64 111.55 2d8j n GLU 49 Ca -0.32 0.17 -0.31 0.00 -0.02 0.00 0.00 57.16 56.68 2d8j n GLU 49 Cb 0.97 -1.74 -0.15 0.00 -0.02 0.00 0.00 31.44 30.50 2d8j n GLU 49 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2d8j s LYS 50 N 2.56 1.29 -0.29 3.49 -2.85 -1.26 -5.05 119.74 117.62 2d8j s LYS 50 Ca 0.99 -1.71 -0.21 0.00 -1.00 0.00 0.00 55.97 54.05 2d8j s LYS 50 Cb -1.29 -2.84 0.17 0.00 -2.06 0.00 0.00 37.83 31.81 2d8j s LYS 50 CO 0.71 -0.97 1.22 0.21 0.10 0.00 0.00 175.35 176.61 2d8j s LYS 51 N 1.00 0.22 -1.39 1.78 2.20 -1.26 -5.00 119.74 117.29 2d8j s LYS 51 Ca 0.11 0.30 -0.13 0.00 -0.36 0.00 0.00 55.97 55.90 2d8j s LYS 51 Cb -0.19 0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.22 2d8j s LYS 51 CO -0.12 -0.03 0.35 0.41 -0.36 0.00 0.00 175.35 175.59 2d8j n GLY 52 N 2.53 -0.43 0.07 5.54 0.00 -1.26 -4.87 105.19 106.77 2d8j n GLY 52 Ca -0.14 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2d8j n GLY 52 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2d8j h THR 53 N -2.08 1.41 0.00 2.61 1.35 -1.96 -3.48 112.91 110.75 2d8j h THR 53 Ca -0.67 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.62 2d8j h THR 53 Cb 1.40 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 2d8j h THR 53 CO 0.62 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.89 2d8j n GLY 54 N 0.82 1.95 3.81 5.82 0.00 -1.26 -4.82 105.19 111.51 2d8j n GLY 54 Ca -0.09 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 4.17 -0.45 0.99 0.20 -1.26 -4.95 118.68 117.38 2d8j s LEU 55 Ca 0.00 1.61 -0.26 0.00 0.69 0.00 0.00 54.13 56.17 2d8j s LEU 55 Cb 0.00 -4.10 -0.07 0.00 -0.43 0.00 0.00 46.19 41.59 2d8j s LEU 55 CO 0.00 -0.16 2.39 0.61 -0.29 0.00 0.00 176.35 178.90 2d8j n GLY 56 N 0.06 0.31 3.78 7.98 0.00 -1.26 -4.94 105.19 111.11 2d8j n GLY 56 Ca 0.03 0.68 -0.22 0.00 0.00 0.00 0.00 46.02 46.50 2d8j n GLY 56 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2d8j s GLN 57 N 8.00 2.54 0.26 1.61 0.00 -1.26 -5.07 119.66 125.74 2d8j s GLN 57 Ca 0.99 -1.40 -0.28 0.00 -0.00 0.00 0.00 55.36 54.66 2d8j s GLN 57 Cb -0.21 -2.32 -0.15 0.00 0.00 0.00 0.00 33.01 30.34 2d8j s GLN 57 CO 0.28 0.15 0.84 0.94 0.00 0.00 0.00 175.29 177.50 2d8j n GLN 58 N -1.21 0.88 0.00 9.60 7.27 -1.26 -4.89 117.38 127.77 2d8j n GLN 58 Ca -0.03 0.31 0.00 0.00 0.07 0.00 0.00 57.00 57.34 2d8j n GLN 58 Cb 0.60 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.70 2d8j n GLN 58 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 2d8j n LEU 59 N 1.49 0.66 -4.37 1.69 -0.00 -1.26 -4.96 117.00 110.26 2d8j n LEU 59 Ca 0.13 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.82 2d8j n LEU 59 Cb 0.30 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.57 2d8j n LEU 59 CO 0.59 0.11 -0.51 -1.10 -0.00 0.00 0.00 177.39 176.47 2d8j s GLN 60 N -1.41 2.49 -0.00 1.47 -0.21 -1.26 -0.47 119.66 120.26 2d8j s GLN 60 Ca 0.00 -0.81 -0.28 0.00 0.02 0.00 0.00 55.36 54.29 2d8j s GLN 60 Cb 0.00 -2.25 0.10 0.00 1.00 0.00 0.00 33.01 31.85 2d8j s GLN 60 CO 0.00 0.51 1.27 0.20 -2.12 0.00 0.00 175.29 175.15 2d8j s GLY 61 N -0.46 -0.14 0.03 3.09 0.00 -0.93 -4.87 107.32 104.06 2d8j s GLY 61 Ca 0.05 0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.58 2d8j s GLY 61 CO 0.01 4.96 0.82 -0.19 0.00 0.00 0.00 173.10 178.70 2d8j s TYR 62 N -2.06 3.71 0.01 1.90 2.02 -0.44 -2.20 117.35 120.29 2d8j s TYR 62 Ca 0.28 1.53 0.01 0.00 -0.37 0.00 0.00 57.07 58.51 2d8j s TYR 62 Cb -0.00 -2.90 -0.01 0.00 -0.40 0.00 0.00 41.96 38.65 2d8j s TYR 62 CO -0.01 0.19 -0.04 0.96 -1.57 0.00 0.00 175.55 175.09 2d8j s ILE 63 N 0.24 0.24 -0.10 2.71 -4.36 0.29 -1.40 121.20 118.82 2d8j s ILE 63 Ca 0.42 -0.48 -0.29 0.00 -0.26 0.00 0.00 60.65 60.03 2d8j s ILE 63 Cb -0.21 -0.27 -0.04 0.00 1.25 0.00 0.00 42.46 43.19 2d8j s ILE 63 CO 0.24 -0.16 1.53 -2.16 0.24 0.00 0.00 174.94 174.63 2d8j s PRO 64 N -0.69 4.17 0.47 0.37 0.04 -1.26 -1.32 135.00 136.79 2d8j s PRO 64 Ca -0.05 1.99 0.14 0.00 0.04 0.00 0.00 61.00 63.12 2d8j s PRO 64 Cb -0.05 -3.92 1.10 0.00 0.04 0.00 0.00 34.50 31.67 2d8j s PRO 64 CO -0.00 -0.84 2.07 0.66 0.04 0.00 0.00 177.00 178.93 2d8j h SER 65 N 9.21 0.06 0.28 6.66 4.64 -1.70 -0.68 113.55 132.02 2d8j h SER 65 Ca -0.35 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2d8j h SER 65 Cb 1.15 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2d8j h SER 65 CO 0.96 0.12 0.00 0.59 -0.87 0.00 0.00 176.83 177.64 2d8j n ASN 66 N -4.44 0.49 0.02 4.97 3.02 -1.26 -1.35 115.26 116.71 2d8j n ASN 66 Ca -0.02 0.68 0.01 0.00 -0.03 0.00 0.00 54.58 55.22 2d8j n ASN 66 Cb 0.15 -0.76 -0.09 0.00 -0.61 0.00 0.00 39.78 38.47 2d8j n ASN 66 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2d8j n TYR 67 N -2.11 0.77 -4.01 3.10 4.02 -0.27 -4.95 117.16 113.72 2d8j n TYR 67 Ca 0.00 0.25 -0.25 0.00 -0.01 0.00 0.00 57.90 57.90 2d8j n TYR 67 Cb 0.10 -1.00 -0.05 0.00 -0.02 0.00 0.00 39.34 38.37 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 -2.99 2.16 0.39 -0.72 -7.23 -0.46 -0.18 120.40 111.38 2d8j s VAL 68 Ca -0.04 -1.60 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 2d8j s VAL 68 Cb 0.09 -2.76 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 2d8j s VAL 68 CO 0.82 0.00 0.19 0.00 -0.31 0.00 0.00 175.10 175.80 2d8j n ALA 69 N -1.41 0.62 -3.45 1.32 0.00 0.32 -4.81 120.51 113.09 2d8j n ALA 69 Ca -0.01 -2.06 -0.43 0.00 0.00 0.00 0.00 53.44 50.93 2d8j n ALA 69 Cb 0.64 1.46 -0.06 0.00 0.00 0.00 0.00 19.45 21.50 2d8j n ALA 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2d8j s GLU 70 N -3.52 2.93 -0.43 0.00 2.12 -1.26 -1.07 118.70 117.47 2d8j s GLU 70 Ca 0.26 -2.05 -0.18 0.00 0.36 0.00 0.00 54.97 53.36 2d8j s GLU 70 Cb 0.01 -4.13 0.02 0.00 0.26 0.00 0.00 34.13 30.29 2d8j s GLU 70 CO 0.19 -1.25 0.49 0.34 -0.54 0.00 0.00 175.26 174.48 2d8j s ASP 71 N 2.50 6.23 0.75 -1.70 -1.08 -1.16 -4.96 116.67 117.25 2d8j s ASP 71 Ca 0.10 -0.61 -0.16 0.00 -0.52 0.00 0.00 52.55 51.36 2d8j s ASP 71 Cb -0.22 -2.25 -0.07 0.00 -1.46 0.00 0.00 42.92 38.92 2d8j s ASP 71 CO -0.02 -0.64 0.16 -1.20 0.52 0.00 0.00 175.17 173.99 2d8j n SER 72 N 5.77 -2.58 -3.56 -0.34 7.64 -1.26 -4.68 113.62 114.61 2d8j n SER 72 Ca -0.06 0.50 -0.16 0.00 1.01 0.00 0.00 58.87 60.17 2d8j n SER 72 Cb 0.47 -1.07 -0.06 0.00 -1.01 0.00 0.00 64.21 62.54 2d8j n SER 72 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d8j s GLY 73 N -1.36 -0.53 -0.09 0.23 0.00 -1.26 -5.06 107.32 99.25 2d8j s GLY 73 Ca 0.59 1.62 -0.30 0.00 0.00 0.00 0.00 44.72 46.63 2d8j s GLY 73 CO 0.65 1.21 1.52 2.56 0.00 0.00 0.00 173.10 179.03 2d8j s PRO 74 N -0.72 4.20 -0.23 2.90 0.04 -1.26 -4.99 135.00 134.94 2d8j s PRO 74 Ca -0.07 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 62.91 2d8j s PRO 74 Cb -0.02 -3.90 0.10 0.00 0.04 0.00 0.00 34.50 30.73 2d8j s PRO 74 CO 0.06 -0.79 0.49 -1.54 0.04 0.00 0.00 177.00 175.26 2d8j s SER 75 N 2.84 -0.51 0.04 6.66 1.04 -1.26 -5.13 113.70 117.39 2d8j s SER 75 Ca 0.67 1.13 -0.38 0.00 0.48 0.00 0.00 55.95 57.85 2d8j s SER 75 Cb -0.29 1.63 -0.18 0.00 0.10 0.00 0.00 66.02 67.27 2d8j s SER 75 CO 0.25 -0.23 1.23 -1.20 0.98 0.00 0.00 173.24 174.26 2d8j n SER 76 N 5.41 0.91 0.00 7.02 7.64 -1.26 -5.17 113.62 128.17 2d8j n SER 76 Ca -0.09 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2d8j n SER 76 Cb 0.49 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2d8j n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64