#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8h s SER 2 N 0.00 -0.62 0.05 1.61 1.04 -1.26 -5.18 113.70 109.34 2d8h s SER 2 Ca 0.00 0.97 -0.28 0.00 0.48 0.00 0.00 55.95 57.12 2d8h s SER 2 Cb 0.00 1.34 0.10 0.00 0.10 0.00 0.00 66.02 67.56 2d8h s SER 2 CO 0.00 -0.15 1.17 -0.55 0.98 0.00 0.00 173.24 174.69 2d8h s SER 3 N 1.60 -0.08 0.00 7.02 0.15 -1.26 -5.19 113.70 115.94 2d8h s SER 3 Ca -0.08 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2d8h s SER 3 Cb -0.05 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2d8h s SER 3 CO -0.16 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.36 2d8h n GLY 4 N -0.53 3.61 3.41 9.45 0.00 -1.26 -5.13 105.19 114.74 2d8h n GLY 4 Ca -0.06 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 2d8h n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d8h n SER 5 N 0.00 -1.79 -0.02 1.61 3.41 -1.26 -4.98 113.62 110.58 2d8h n SER 5 Ca 0.00 0.01 -0.01 0.00 -0.26 0.00 0.00 58.87 58.62 2d8h n SER 5 Cb 0.00 -1.16 -0.00 0.00 -0.26 0.00 0.00 64.21 62.78 2d8h n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2d8h h SER 6 N -2.16 -0.05 -6.35 4.04 0.87 -2.08 -3.48 113.55 104.34 2d8h h SER 6 Ca -0.53 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 59.55 2d8h h SER 6 Cb 1.33 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 63.25 2d8h h SER 6 CO 0.41 0.44 -0.81 0.61 -0.53 0.00 0.00 176.83 176.95 2d8h n GLY 7 N 1.64 -0.39 3.24 5.77 0.00 -1.26 -4.93 105.19 109.26 2d8h n GLY 7 Ca -0.01 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2d8h n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2d8h s HIS 8 N -3.49 3.40 -0.30 1.61 2.46 -1.26 -5.00 115.29 112.71 2d8h s HIS 8 Ca 0.41 -1.76 -0.14 0.00 0.47 0.00 0.00 55.06 54.05 2d8h s HIS 8 Cb -0.21 -3.59 0.15 0.00 -0.13 0.00 0.00 32.58 28.80 2d8h s HIS 8 CO 0.85 -1.00 0.90 -2.00 -2.47 0.00 0.00 174.74 171.02 2d8h s GLU 9 N 1.29 0.38 0.02 2.88 2.12 -1.26 -5.17 118.70 118.96 2d8h s GLU 9 Ca 0.06 0.92 0.05 0.00 0.36 0.00 0.00 54.97 56.35 2d8h s GLU 9 Cb -0.26 0.51 -0.02 0.00 0.26 0.00 0.00 34.13 34.63 2d8h s GLU 9 CO -0.00 -0.12 -0.14 1.03 -0.54 0.00 0.00 175.26 175.48 2d8h s ARG 10 N 2.46 1.02 0.32 4.30 1.81 -1.26 -5.03 118.95 122.57 2d8h s ARG 10 Ca -0.04 -0.64 0.10 0.00 -1.72 0.00 0.00 55.73 53.43 2d8h s ARG 10 Cb -0.07 -1.01 0.52 0.00 -0.45 0.00 0.00 34.95 33.93 2d8h s ARG 10 CO -0.18 0.26 1.72 -0.39 -0.68 0.00 0.00 175.30 176.03 2d8h h VAL 11 N 4.64 1.34 -2.64 3.52 -1.51 -2.06 -3.45 116.25 116.09 2d8h h VAL 11 Ca -0.36 -1.62 -0.50 0.00 -1.23 0.00 0.00 66.70 62.99 2d8h h VAL 11 Cb 1.17 1.84 -0.14 0.00 -2.13 0.00 0.00 31.29 32.03 2d8h h VAL 11 CO 0.46 0.47 -0.63 -0.83 -1.23 0.00 0.00 177.57 175.81 2d8h s GLY 12 N -4.33 2.02 -0.20 5.19 0.00 -1.26 -5.14 107.32 103.59 2d8h s GLY 12 Ca -0.03 -2.02 -0.08 0.00 0.00 0.00 0.00 44.72 42.59 2d8h s GLY 12 CO 0.75 -1.85 0.07 -1.31 0.00 0.00 0.00 173.10 170.76 2d8h s ASN 13 N -3.49 5.56 -0.70 1.64 -0.87 -1.26 -5.06 114.94 110.76 2d8h s ASN 13 Ca 0.33 0.02 -0.07 0.00 -1.57 0.00 0.00 52.86 51.57 2d8h s ASN 13 Cb 0.07 -1.97 0.18 0.00 -0.02 0.00 0.00 41.25 39.52 2d8h s ASN 13 CO 0.14 0.12 0.57 -0.22 -2.57 0.00 0.00 177.10 175.14 2d8h s LEU 14 N 0.71 5.82 0.29 0.60 1.98 -1.26 -4.90 118.68 121.92 2d8h s LEU 14 Ca 0.04 -2.79 0.07 0.00 -2.89 0.00 0.00 54.13 48.56 2d8h s LEU 14 Cb -0.13 -1.99 0.44 0.00 0.66 0.00 0.00 46.19 45.17 2d8h s LEU 14 CO 0.02 -0.45 1.69 0.78 -1.89 0.00 0.00 176.35 176.50 2d8h h ASN 15 N 7.32 0.22 -4.92 3.68 2.35 -2.01 -3.45 115.58 118.76 2d8h h ASN 15 Ca 0.03 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 2d8h h ASN 15 Cb 0.99 -0.06 -0.19 0.00 0.05 0.00 0.00 38.32 39.10 2d8h h ASN 15 CO 0.73 0.64 0.08 0.00 -1.65 0.00 0.00 177.43 177.23 2d8h s GLN 16 N -4.06 0.95 1.18 0.81 -2.07 -1.26 -5.18 119.66 110.03 2d8h s GLN 16 Ca -0.04 0.21 -0.20 0.00 -1.82 0.00 0.00 55.36 53.51 2d8h s GLN 16 Cb 0.13 0.45 0.29 0.00 -1.09 0.00 0.00 33.01 32.79 2d8h s GLN 16 CO 0.77 -0.28 1.05 -0.35 -1.32 0.00 0.00 175.29 175.16 2d8h n PRO 17 N 1.12 -3.07 -4.83 9.60 -0.04 -1.26 -5.07 135.00 131.44 2d8h n PRO 17 Ca -0.19 -1.68 -0.29 0.00 -0.04 0.00 0.00 63.50 61.30 2d8h n PRO 17 Cb 0.57 -1.57 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 2d8h n PRO 17 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2d8h s ILE 18 N -2.90 2.03 -0.24 0.52 1.01 -0.61 -4.94 121.20 116.08 2d8h s ILE 18 Ca 0.68 -1.35 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 2d8h s ILE 18 Cb -0.07 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 2d8h s ILE 18 CO 0.52 0.32 0.14 -1.61 0.00 0.00 0.00 174.94 174.32 2d8h s GLU 19 N -1.24 3.99 0.03 2.79 2.02 -1.26 0.30 118.70 125.32 2d8h s GLU 19 Ca 0.11 -0.31 0.05 0.00 0.02 0.00 0.00 54.97 54.84 2d8h s GLU 19 Cb -0.10 -3.50 -0.02 0.00 0.10 0.00 0.00 34.13 30.61 2d8h s GLU 19 CO 0.02 0.01 -0.15 0.14 0.02 0.00 0.00 175.26 175.30 2d8h s VAL 20 N 1.18 1.21 -0.30 2.63 -7.23 -1.18 -4.77 120.40 111.93 2d8h s VAL 20 Ca 0.07 -0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 59.18 2d8h s VAL 20 Cb -0.14 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 2d8h s VAL 20 CO 0.05 0.11 0.21 -0.89 -0.31 0.00 0.00 175.10 174.27 2d8h s THR 21 N -0.72 5.30 -0.01 5.32 2.01 -1.00 -1.48 115.64 125.06 2d8h s THR 21 Ca 0.03 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 2d8h s THR 21 Cb -0.07 -3.60 -0.08 0.00 0.01 0.00 0.00 72.50 68.76 2d8h s THR 21 CO 0.01 0.15 1.93 0.00 -0.69 0.00 0.00 174.62 176.02 2d8h s ALA 22 N 1.75 3.50 0.18 7.40 0.00 -0.97 -1.89 121.76 131.72 2d8h s ALA 22 Ca 0.07 1.18 -0.02 0.00 0.00 0.00 0.00 51.96 53.19 2d8h s ALA 22 Cb -0.17 -3.85 0.07 0.00 0.00 0.00 0.00 23.12 19.18 2d8h s ALA 22 CO 0.11 -1.67 1.45 -0.07 0.00 0.00 0.00 175.76 175.58 2d8h h LEU 23 N 11.02 0.53 -8.33 0.00 3.38 -0.96 0.68 115.31 121.63 2d8h h LEU 23 Ca -0.47 -0.33 -0.21 0.00 0.09 0.00 0.00 57.88 56.97 2d8h h LEU 23 Cb 1.23 -0.16 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 2d8h h LEU 23 CO 0.95 1.05 -0.70 -0.31 0.09 0.00 0.00 178.44 179.52 2d8h s TYR 24 N -3.74 0.75 0.82 1.13 2.02 -1.22 -4.68 117.35 112.43 2d8h s TYR 24 Ca -0.06 -0.84 -0.11 0.00 -0.37 0.00 0.00 57.07 55.69 2d8h s TYR 24 Cb 0.11 -0.45 0.08 0.00 -0.40 0.00 0.00 41.96 41.30 2d8h s TYR 24 CO 0.84 -0.18 1.09 0.45 -1.57 0.00 0.00 175.55 176.18 2d8h s SER 25 N -2.64 4.14 0.10 2.29 0.15 -1.26 -4.04 113.70 112.44 2d8h s SER 25 Ca 0.05 1.66 -0.25 0.00 0.70 0.00 0.00 55.95 58.11 2d8h s SER 25 Cb 0.02 -2.36 0.07 0.00 -1.71 0.00 0.00 66.02 62.04 2d8h s SER 25 CO -0.04 -2.24 0.63 0.12 1.20 0.00 0.00 173.24 172.90 2d8h s PHE 26 N -2.93 -0.56 -0.21 3.44 5.36 -0.71 -4.87 117.98 117.49 2d8h s PHE 26 Ca 0.62 0.52 -0.05 0.00 -0.96 0.00 0.00 56.93 57.06 2d8h s PHE 26 Cb -0.17 0.52 0.08 0.00 -0.34 0.00 0.00 43.02 43.11 2d8h s PHE 26 CO 0.56 -0.78 0.12 -1.21 -1.46 0.00 0.00 175.22 172.45 2d8h s GLU 27 N -3.11 0.11 -0.64 10.12 2.02 -1.26 -2.50 118.70 123.44 2d8h s GLU 27 Ca -0.02 -0.18 -0.30 0.00 0.02 0.00 0.00 54.97 54.49 2d8h s GLU 27 Cb -0.01 -1.56 -0.14 0.00 0.10 0.00 0.00 34.13 32.53 2d8h s GLU 27 CO -0.07 -0.77 2.46 0.41 0.02 0.00 0.00 175.26 177.30 2d8h n GLY 28 N 5.28 0.00 0.24 -1.39 0.00 -1.14 -4.77 105.19 103.41 2d8h n GLY 28 Ca -0.06 0.91 0.01 0.00 0.00 0.00 0.00 46.02 46.88 2d8h n GLY 28 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2d8h h GLN 29 N 14.97 0.31 -6.42 1.61 1.08 -1.95 -3.44 115.11 121.27 2d8h h GLN 29 Ca -0.18 -0.07 -0.51 0.00 -1.45 0.00 0.00 58.65 56.44 2d8h h GLN 29 Cb 1.30 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 2d8h h GLN 29 CO 1.21 0.43 -0.21 -0.65 -0.95 0.00 0.00 178.83 178.67 2d8h s GLN 30 N -4.74 3.57 0.00 1.46 -0.21 -1.26 -4.97 119.66 113.51 2d8h s GLN 30 Ca -0.06 -0.17 0.11 0.00 0.02 0.00 0.00 55.36 55.27 2d8h s GLN 30 Cb 0.15 -2.70 0.67 0.00 1.00 0.00 0.00 33.01 32.12 2d8h s GLN 30 CO 0.74 0.25 1.10 -0.35 -2.12 0.00 0.00 175.29 174.91 2d8h n PRO 31 N -1.04 0.49 -0.09 2.91 -0.04 -1.26 -2.18 135.00 133.78 2d8h n PRO 31 Ca -0.03 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 2d8h n PRO 31 Cb 0.54 -1.36 0.08 0.00 -0.04 0.00 0.00 33.50 32.73 2d8h n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d8h n GLY 32 N -0.02 3.59 3.25 0.55 0.00 -1.26 -5.05 105.19 106.25 2d8h n GLY 32 Ca 0.08 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 2d8h n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d8h n ASP 33 N -0.98 2.15 -4.33 1.61 9.92 -0.93 -3.30 116.55 120.69 2d8h n ASP 33 Ca 0.09 -2.45 -0.30 0.00 -0.53 0.00 0.00 54.79 51.60 2d8h n ASP 33 Cb 0.54 -0.19 -0.15 0.00 -0.64 0.00 0.00 41.12 40.68 2d8h n ASP 33 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2d8h s LEU 34 N 0.00 2.16 -0.19 0.64 2.96 -0.97 -4.41 118.68 118.87 2d8h s LEU 34 Ca 0.38 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 2d8h s LEU 34 Cb -0.03 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 2d8h s LEU 34 CO 0.24 0.26 -0.04 0.20 -1.32 0.00 0.00 176.35 175.69 2d8h s ASN 35 N -1.17 4.49 0.34 3.68 0.02 -1.26 -2.88 114.94 118.15 2d8h s ASN 35 Ca 0.11 -0.28 0.07 0.00 -1.02 0.00 0.00 52.86 51.74 2d8h s ASN 35 Cb -0.10 -1.75 -0.03 0.00 0.02 0.00 0.00 41.25 39.39 2d8h s ASN 35 CO 0.02 0.06 0.30 2.22 0.02 0.00 0.00 177.10 179.72 2d8h n PHE 36 N 4.23 -0.86 -4.30 2.20 -1.74 -1.04 -4.98 117.46 110.97 2d8h n PHE 36 Ca -0.18 -2.81 -0.16 0.00 -0.56 0.00 0.00 57.45 53.74 2d8h n PHE 36 Cb 0.52 0.32 -0.10 0.00 1.52 0.00 0.00 39.48 41.73 2d8h n PHE 36 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 2d8h s GLN 37 N -3.33 1.27 -0.40 3.97 -0.21 -1.26 -1.74 119.66 117.96 2d8h s GLN 37 Ca 0.40 -1.64 -0.27 0.00 0.02 0.00 0.00 55.36 53.87 2d8h s GLN 37 Cb 0.02 -0.46 -0.05 0.00 1.00 0.00 0.00 33.01 33.51 2d8h s GLN 37 CO 0.28 -0.13 2.23 0.00 -2.12 0.00 0.00 175.29 175.55 2d8h s ALA 38 N -3.54 2.17 0.00 6.09 0.00 -1.26 -0.96 121.76 124.27 2d8h s ALA 38 Ca 0.28 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2d8h s ALA 38 Cb 0.06 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.96 2d8h s ALA 38 CO 0.08 -3.67 0.00 0.41 0.00 0.00 0.00 175.76 172.58 2d8h n GLY 39 N 5.84 0.85 3.69 0.00 0.00 0.24 -4.93 105.19 110.87 2d8h n GLY 39 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 2d8h n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d8h s ASP 40 N -1.24 7.15 -0.08 1.61 1.11 -0.13 -4.67 116.67 120.42 2d8h s ASP 40 Ca 0.00 1.40 -0.30 0.00 0.18 0.00 0.00 52.55 53.84 2d8h s ASP 40 Cb 0.00 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.46 2d8h s ASP 40 CO 0.00 -0.34 1.16 -0.13 1.18 0.00 0.00 175.17 177.04 2d8h s ARG 41 N 1.65 4.36 -0.26 8.23 3.00 -1.26 -2.30 118.95 132.37 2d8h s ARG 41 Ca 0.45 1.61 -0.04 0.00 0.00 0.00 0.00 55.73 57.75 2d8h s ARG 41 Cb -0.18 -3.57 0.01 0.00 0.00 0.00 0.00 34.95 31.21 2d8h s ARG 41 CO 0.18 -0.44 -0.01 0.42 0.00 0.00 0.00 175.30 175.46 2d8h s ILE 42 N 2.27 3.38 -0.79 1.52 1.01 -0.55 -4.77 121.20 123.28 2d8h s ILE 42 Ca 0.54 -0.76 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 2d8h s ILE 42 Cb -0.23 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 2d8h s ILE 42 CO 0.20 0.22 1.85 -0.89 0.00 0.00 0.00 174.94 176.32 2d8h s THR 43 N 1.43 3.46 -0.26 2.92 2.01 0.33 -3.13 115.64 122.40 2d8h s THR 43 Ca 0.03 -0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 2d8h s THR 43 Cb -0.16 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2d8h s THR 43 CO -0.02 -1.04 2.06 -0.69 -0.69 0.00 0.00 174.62 174.25 2d8h s VAL 44 N 9.16 3.18 -0.18 3.82 1.01 0.15 0.05 120.40 137.59 2d8h s VAL 44 Ca 0.66 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 2d8h s VAL 44 Cb -0.09 -3.25 -0.22 0.00 0.00 0.00 0.00 36.38 32.83 2d8h s VAL 44 CO 0.08 -0.16 0.10 2.30 0.00 0.00 0.00 175.10 177.42 2d8h n ILE 45 N 7.64 1.64 -3.62 2.22 -5.35 -0.30 -1.57 119.36 120.03 2d8h n ILE 45 Ca 0.27 -0.63 -0.23 0.00 -0.27 0.00 0.00 62.75 61.89 2d8h n ILE 45 Cb 0.46 -1.55 -0.17 0.00 -1.74 0.00 0.00 39.64 36.64 2d8h n ILE 45 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2d8h s SER 46 N -6.76 1.86 0.19 7.28 0.15 -0.22 -4.94 113.70 111.26 2d8h s SER 46 Ca -0.27 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2d8h s SER 46 Cb 0.08 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 2d8h s SER 46 CO 0.70 -0.32 0.08 -1.59 1.20 0.00 0.00 173.24 173.31 2d8h s LYS 47 N 2.17 1.15 0.51 5.44 -2.85 -1.26 0.11 119.74 125.01 2d8h s LYS 47 Ca 0.03 -1.59 0.04 0.00 -1.00 0.00 0.00 55.97 53.45 2d8h s LYS 47 Cb -0.15 0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.66 2d8h s LYS 47 CO -0.07 -0.28 0.20 0.95 0.10 0.00 0.00 175.35 176.25 2d8h s THR 48 N -3.94 1.53 -0.13 3.79 -4.23 -1.26 -5.01 115.64 106.40 2d8h s THR 48 Ca 0.31 -1.74 -0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2d8h s THR 48 Cb 0.07 -2.27 0.08 0.00 1.34 0.00 0.00 72.50 71.73 2d8h s THR 48 CO 0.08 0.00 2.00 -0.67 -0.54 0.00 0.00 174.62 175.48 2d8h n ASP 49 N -1.48 5.76 -3.68 3.99 -0.08 -1.26 -4.73 116.55 115.07 2d8h n ASP 49 Ca -0.09 -2.66 -0.10 0.00 -1.51 0.00 0.00 54.79 50.42 2d8h n ASP 49 Cb 0.65 -1.09 -0.11 0.00 2.34 0.00 0.00 41.12 42.91 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2d8h s SER 50 N 1.27 -0.23 -0.03 1.67 1.04 -1.26 -5.07 113.70 111.10 2d8h s SER 50 Ca 0.12 0.85 -0.18 0.00 0.48 0.00 0.00 55.95 57.22 2d8h s SER 50 Cb 0.10 0.97 -0.11 0.00 0.10 0.00 0.00 66.02 67.07 2d8h s SER 50 CO -0.00 -0.22 0.76 1.12 0.98 0.00 0.00 173.24 175.89 2d8h h HIS 51 N 7.77 -0.52 -1.22 5.02 2.07 -1.97 -3.21 115.15 123.08 2d8h h HIS 51 Ca -0.24 -0.01 0.46 0.00 -2.85 0.00 0.00 60.37 57.72 2d8h h HIS 51 Cb 1.14 0.17 -0.16 0.00 2.57 0.00 0.00 27.41 31.13 2d8h h HIS 51 CO 0.29 -0.27 0.74 0.34 -3.07 0.00 0.00 177.93 175.96 2d8h n PHE 52 N -5.15 0.91 -1.13 6.12 -0.00 -1.26 -3.46 117.46 113.48 2d8h n PHE 52 Ca -0.08 0.92 -0.31 0.00 -0.00 0.00 0.00 57.45 57.98 2d8h n PHE 52 Cb 0.25 -1.34 0.12 0.00 -0.00 0.00 0.00 39.48 38.51 2d8h n PHE 52 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2d8h s ASP 53 N -4.37 3.91 0.07 -2.13 1.11 -1.22 -4.64 116.67 109.40 2d8h s ASP 53 Ca -0.08 1.80 -0.22 0.00 0.18 0.00 0.00 52.55 54.23 2d8h s ASP 53 Cb 0.32 -2.44 -0.07 0.00 1.07 0.00 0.00 42.92 41.80 2d8h s ASP 53 CO 0.81 -2.41 0.65 0.26 1.18 0.00 0.00 175.17 175.65 2d8h s TRP 54 N -2.86 3.79 0.42 4.23 0.52 -1.26 -3.15 118.94 120.63 2d8h s TRP 54 Ca 0.63 1.36 0.07 0.00 0.02 0.00 0.00 56.10 58.18 2d8h s TRP 54 Cb -0.18 -2.62 -0.04 0.00 -1.15 0.00 0.00 33.47 29.47 2d8h s TRP 54 CO 0.57 0.48 0.22 -1.58 0.02 0.00 0.00 176.95 176.66 2d8h s TRP 55 N -0.77 2.61 -0.22 -1.98 0.51 0.19 -4.80 118.94 114.48 2d8h s TRP 55 Ca 0.32 -0.57 0.00 0.00 -2.12 0.00 0.00 56.10 53.73 2d8h s TRP 55 Cb -0.20 -2.00 0.03 0.00 -0.81 0.00 0.00 33.47 30.48 2d8h s TRP 55 CO 0.21 0.11 -0.13 -2.00 -0.51 0.00 0.00 176.95 174.63 2d8h s GLU 56 N -3.96 2.81 0.29 4.98 2.12 0.12 -1.17 118.70 123.90 2d8h s GLU 56 Ca 0.42 -0.97 0.02 0.00 0.36 0.00 0.00 54.97 54.80 2d8h s GLU 56 Cb 0.02 -2.78 -0.01 0.00 0.26 0.00 0.00 34.13 31.62 2d8h s GLU 56 CO 0.24 -0.34 0.07 0.41 -0.54 0.00 0.00 175.26 175.10 2d8h n GLY 57 N 4.60 3.58 3.01 -1.50 0.00 -1.09 -1.06 105.19 112.74 2d8h n GLY 57 Ca -0.18 -2.12 -0.22 0.00 0.00 0.00 0.00 46.02 43.50 2d8h n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d8h s LYS 58 N -3.09 1.31 -0.03 1.61 1.02 0.11 -3.01 119.74 117.66 2d8h s LYS 58 Ca 0.11 -0.35 -0.06 0.00 0.02 0.00 0.00 55.97 55.69 2d8h s LYS 58 Cb 0.01 -1.15 0.01 0.00 -0.52 0.00 0.00 37.83 36.17 2d8h s LYS 58 CO 0.07 0.06 0.13 -1.17 -0.92 0.00 0.00 175.35 173.53 2d8h s LEU 59 N 0.47 1.53 -1.67 3.17 2.96 -0.87 -0.51 118.68 123.76 2d8h s LEU 59 Ca -0.09 0.06 -0.14 0.00 -0.22 0.00 0.00 54.13 53.74 2d8h s LEU 59 Cb -0.13 0.54 0.13 0.00 0.50 0.00 0.00 46.19 47.23 2d8h s LEU 59 CO 0.02 -0.18 0.60 0.54 -1.32 0.00 0.00 176.35 176.01 2d8h n ARG 60 N 2.36 -2.48 -3.17 1.98 1.74 -1.26 0.48 116.66 116.32 2d8h n ARG 60 Ca -0.17 0.30 -0.20 0.00 -0.77 0.00 0.00 57.85 57.01 2d8h n ARG 60 Cb 0.58 -4.77 0.05 0.00 -1.02 0.00 0.00 32.46 27.30 2d8h n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d8h n GLY 61 N -1.56 -0.37 3.37 -0.13 0.00 -1.26 -5.00 105.19 100.23 2d8h n GLY 61 Ca -0.03 0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 2d8h n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d8h s GLN 62 N -5.83 1.54 -0.02 1.61 -1.52 0.18 -5.17 119.66 110.45 2d8h s GLN 62 Ca 0.38 -1.86 -0.02 0.00 -1.95 0.00 0.00 55.36 51.91 2d8h s GLN 62 Cb -0.17 -0.38 0.01 0.00 -0.22 0.00 0.00 33.01 32.24 2d8h s GLN 62 CO 0.47 -0.32 0.06 0.99 -0.25 0.00 0.00 175.29 176.24 2d8h s THR 63 N -3.58 -0.00 -0.09 -0.19 2.01 -1.26 -2.05 115.64 110.47 2d8h s THR 63 Ca 0.36 0.00 -0.32 0.00 0.31 0.00 0.00 61.69 62.04 2d8h s THR 63 Cb 0.07 -0.10 0.13 0.00 0.01 0.00 0.00 72.50 72.61 2d8h s THR 63 CO 0.15 0.00 1.42 -0.83 -0.69 0.00 0.00 174.62 174.67 2d8h s GLY 64 N 0.04 -0.41 0.14 4.40 0.00 -1.16 -4.68 107.32 105.66 2d8h s GLY 64 Ca -0.00 0.69 -0.02 0.00 0.00 0.00 0.00 44.72 45.38 2d8h s GLY 64 CO 0.00 2.47 0.34 -0.26 0.00 0.00 0.00 173.10 175.65 2d8h s ILE 65 N -2.02 5.23 -0.01 0.90 -4.36 -1.21 -2.66 121.20 117.08 2d8h s ILE 65 Ca 0.21 -0.19 -0.29 0.00 -0.26 0.00 0.00 60.65 60.12 2d8h s ILE 65 Cb 0.05 -3.66 0.07 0.00 1.25 0.00 0.00 42.46 40.18 2d8h s ILE 65 CO -0.05 0.00 0.67 0.72 0.24 0.00 0.00 174.94 176.52 2d8h s PHE 66 N -1.68 -0.62 -0.05 1.37 -0.12 -0.31 -2.28 117.98 114.28 2d8h s PHE 66 Ca 0.39 0.92 -0.30 0.00 -0.05 0.00 0.00 56.93 57.89 2d8h s PHE 66 Cb -0.12 0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 2d8h s PHE 66 CO 0.27 -0.66 1.49 -1.25 -0.05 0.00 0.00 175.22 175.02 2d8h s PRO 67 N -1.79 4.23 0.52 1.99 0.04 -1.26 -0.64 135.00 138.09 2d8h s PRO 67 Ca -0.08 2.01 0.20 0.00 0.04 0.00 0.00 61.00 63.17 2d8h s PRO 67 Cb -0.00 -3.77 1.30 0.00 0.04 0.00 0.00 34.50 32.07 2d8h s PRO 67 CO 0.04 -0.71 2.07 0.00 0.04 0.00 0.00 177.00 178.44 2d8h h ALA 68 N 8.57 2.21 0.00 8.56 0.00 -1.57 0.15 119.26 137.19 2d8h h ALA 68 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2d8h h ALA 68 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2d8h h ALA 68 CO 0.94 -0.29 0.05 -1.71 0.00 0.00 0.00 179.25 178.24 2d8h n ASN 69 N -4.46 0.46 -1.22 0.00 2.85 -1.25 0.13 115.26 111.76 2d8h n ASN 69 Ca 0.03 0.70 0.10 0.00 -0.11 0.00 0.00 54.58 55.30 2d8h n ASN 69 Cb 0.33 -0.74 0.29 0.00 1.24 0.00 0.00 39.78 40.89 2d8h n ASN 69 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2d8h n TYR 70 N -2.13 0.94 -4.15 1.20 4.02 0.04 -4.90 117.16 112.18 2d8h n TYR 70 Ca -0.01 -0.44 -0.13 0.00 -0.01 0.00 0.00 57.90 57.31 2d8h n TYR 70 Cb 0.07 -0.05 -0.08 0.00 -0.02 0.00 0.00 39.34 39.26 2d8h n TYR 70 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2d8h s VAL 71 N -1.30 0.00 0.04 -0.72 -7.23 0.12 -0.32 120.40 110.98 2d8h s VAL 71 Ca 0.43 -1.83 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 2d8h s VAL 71 Cb 0.23 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 2d8h s VAL 71 CO 0.27 0.00 -0.02 0.28 -0.31 0.00 0.00 175.10 175.32 2d8h s THR 72 N -3.91 0.17 -0.60 5.32 -1.32 -0.79 -4.75 115.64 109.77 2d8h s THR 72 Ca 0.35 -1.40 -0.00 0.00 -1.21 0.00 0.00 61.69 59.42 2d8h s THR 72 Cb 0.04 -0.98 0.49 0.00 -1.51 0.00 0.00 72.50 70.54 2d8h s THR 72 CO 0.14 -0.77 2.00 0.23 -2.21 0.00 0.00 174.62 174.01 2d8h n MET 73 N 0.74 2.53 -4.29 7.08 2.81 -1.26 -2.38 117.12 122.34 2d8h n MET 73 Ca -0.18 -3.12 -0.18 0.00 -1.81 0.00 0.00 57.70 52.41 2d8h n MET 73 Cb 0.58 -2.22 -0.14 0.00 -0.71 0.00 0.00 33.22 30.73 2d8h n MET 73 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2d8h s ASN 74 N -1.59 1.09 0.28 7.83 -0.87 -1.26 -5.06 114.94 115.36 2d8h s ASN 74 Ca 0.61 -0.27 0.09 0.00 -1.57 0.00 0.00 52.86 51.72 2d8h s ASN 74 Cb 0.49 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.25 41.57 2d8h s ASN 74 CO 0.02 0.04 -0.12 -0.94 -2.57 0.00 0.00 177.10 173.54 2d8h s SER 75 N -0.58 3.17 0.00 -1.22 1.04 -1.26 -4.53 113.70 110.31 2d8h s SER 75 Ca 0.01 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.32 2d8h s SER 75 Cb -0.05 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.83 2d8h s SER 75 CO 0.00 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2d8h n GLY 76 N -0.61 3.88 3.57 7.32 0.00 -1.26 -5.00 105.19 113.09 2d8h n GLY 76 Ca -0.06 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 2d8h n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8h s PRO 77 N -2.69 2.53 0.68 1.61 0.04 -1.26 -4.95 135.00 130.95 2d8h s PRO 77 Ca 0.00 -0.64 -0.10 0.00 0.04 0.00 0.00 61.00 60.30 2d8h s PRO 77 Cb 0.00 -5.14 0.02 0.00 0.04 0.00 0.00 34.50 29.42 2d8h s PRO 77 CO 0.00 -3.62 1.04 -1.54 0.04 0.00 0.00 177.00 172.92 2d8h s SER 78 N 7.41 5.39 -0.16 6.66 1.04 -1.26 -5.04 113.70 127.74 2d8h s SER 78 Ca 0.69 0.95 -0.10 0.00 0.48 0.00 0.00 55.95 57.98 2d8h s SER 78 Cb -0.04 -1.78 -0.07 0.00 0.10 0.00 0.00 66.02 64.23 2d8h s SER 78 CO 0.05 -1.31 -0.24 -1.20 0.98 0.00 0.00 173.24 171.52 2d8h n SER 79 N -2.90 1.41 0.00 7.02 7.64 -1.26 -5.29 113.62 120.24 2d8h n SER 79 Ca 0.06 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2d8h n SER 79 Cb 0.58 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2d8h n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64