#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 0.03 -0.19 1.61 1.04 -1.26 -5.14 113.70 109.79 2d8h s SER 2 Ca 0.00 -1.00 -0.21 0.00 0.48 0.00 0.00 55.95 55.22 2d8h s SER 2 Cb 0.00 0.76 -0.02 0.00 0.10 0.00 0.00 66.02 66.85 2d8h s SER 2 CO 0.00 -1.46 0.65 -0.94 0.98 0.00 0.00 173.24 172.47 2d8h s SER 3 N -3.04 6.72 -0.29 7.02 1.04 -1.26 -5.02 113.70 118.88 2d8h s SER 3 Ca 0.17 0.88 0.04 0.00 0.48 0.00 0.00 55.95 57.52 2d8h s SER 3 Cb -0.04 -2.36 0.19 0.00 0.10 0.00 0.00 66.02 63.91 2d8h s SER 3 CO 0.11 -0.28 0.58 -0.83 0.98 0.00 0.00 173.24 173.80 2d8h s GLY 4 N 1.18 -1.15 0.00 7.32 0.00 -1.26 -5.15 107.32 108.26 2d8h s GLY 4 Ca 0.30 1.17 0.01 0.00 0.00 0.00 0.00 44.72 46.20 2d8h s GLY 4 CO 0.11 3.56 -0.04 -0.56 0.00 0.00 0.00 173.10 176.17 2d8h s SER 5 N 2.81 0.41 -0.20 1.64 0.01 -1.26 -5.10 113.70 112.01 2d8h s SER 5 Ca 0.12 -0.10 -0.40 0.00 1.31 0.00 0.00 55.95 56.89 2d8h s SER 5 Cb -0.11 -0.04 -0.17 0.00 0.21 0.00 0.00 66.02 65.91 2d8h s SER 5 CO -0.25 0.02 1.58 -0.24 0.41 0.00 0.00 173.24 174.76 2d8h n SER 6 N 2.89 1.87 -1.83 2.44 2.88 -1.26 -4.89 113.62 115.72 2d8h n SER 6 Ca -0.13 1.11 -0.02 0.00 -1.33 0.00 0.00 58.87 58.49 2d8h n SER 6 Cb 0.59 -1.10 0.01 0.00 -0.75 0.00 0.00 64.21 62.95 2d8h n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8h n GLY 7 N 3.57 1.27 3.35 0.46 0.00 -1.26 -5.19 105.19 107.40 2d8h n GLY 7 Ca 0.25 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 2d8h n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2d8h s HIS 8 N -5.25 1.65 0.49 1.61 0.00 -1.26 -5.17 115.29 107.36 2d8h s HIS 8 Ca 0.08 -0.93 0.04 0.00 -3.00 0.00 0.00 55.06 51.24 2d8h s HIS 8 Cb -0.02 -0.98 -0.01 0.00 -4.00 0.00 0.00 32.58 27.58 2d8h s HIS 8 CO 0.03 -0.04 0.15 -1.21 -1.00 0.00 0.00 174.74 172.67 2d8h s GLU 9 N -3.87 2.20 -0.38 -0.38 2.02 -1.26 -5.11 118.70 111.91 2d8h s GLU 9 Ca 0.31 -2.17 -0.07 0.00 0.02 0.00 0.00 54.97 53.06 2d8h s GLU 9 Cb 0.06 -1.78 0.07 0.00 0.10 0.00 0.00 34.13 32.58 2d8h s GLU 9 CO 0.10 -0.36 0.18 1.03 0.02 0.00 0.00 175.26 176.24 2d8h s ARG 10 N -3.98 2.52 0.04 1.61 0.52 -1.26 -5.08 118.95 113.31 2d8h s ARG 10 Ca 0.23 -1.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.06 2d8h s ARG 10 Cb 0.02 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 2d8h s ARG 10 CO 0.13 -0.85 0.04 0.14 0.02 0.00 0.00 175.30 174.78 2d8h s VAL 11 N 1.37 4.37 0.00 3.52 -7.23 -1.26 -5.09 120.40 116.09 2d8h s VAL 11 Ca 0.02 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 2d8h s VAL 11 Cb -0.22 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.70 2d8h s VAL 11 CO 0.01 0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 2d8h n GLY 12 N 0.94 1.18 3.21 2.32 0.00 -1.26 -5.14 105.19 106.45 2d8h n GLY 12 Ca -0.12 0.53 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 2d8h n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d8h s ASN 13 N 0.00 4.80 -0.47 1.61 0.01 -1.26 -5.03 114.94 114.60 2d8h s ASN 13 Ca 0.00 -1.09 -0.12 0.00 -0.71 0.00 0.00 52.86 50.94 2d8h s ASN 13 Cb 0.00 -1.73 0.09 0.00 0.41 0.00 0.00 41.25 40.02 2d8h s ASN 13 CO 0.00 -0.22 0.36 -1.48 -1.51 0.00 0.00 177.10 174.24 2d8h s LEU 14 N 1.31 5.57 0.12 0.60 2.34 -1.26 -4.98 118.68 122.39 2d8h s LEU 14 Ca -0.03 -1.59 -0.22 0.00 0.06 0.00 0.00 54.13 52.35 2d8h s LEU 14 Cb -0.19 -2.08 -0.04 0.00 -0.56 0.00 0.00 46.19 43.32 2d8h s LEU 14 CO -0.01 -0.66 1.13 0.59 -1.06 0.00 0.00 176.35 176.34 2d8h n ASN 15 N 5.05 -0.76 -4.74 1.48 5.03 -1.26 -4.28 115.26 115.78 2d8h n ASN 15 Ca -0.11 1.31 -0.33 0.00 0.87 0.00 0.00 54.58 56.32 2d8h n ASN 15 Cb 0.42 -0.18 -0.08 0.00 -1.02 0.00 0.00 39.78 38.93 2d8h n ASN 15 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2d8h s GLN 16 N -5.39 2.98 0.36 3.52 0.00 -1.26 -5.12 119.66 114.75 2d8h s GLN 16 Ca -0.09 -0.50 -0.06 0.00 -0.00 0.00 0.00 55.36 54.71 2d8h s GLN 16 Cb 0.08 -2.80 0.09 0.00 0.00 0.00 0.00 33.01 30.38 2d8h s GLN 16 CO 0.46 0.65 0.32 -0.35 0.00 0.00 0.00 175.29 176.37 2d8h n PRO 17 N 1.43 -1.63 -4.48 9.60 -0.04 -1.26 -5.05 135.00 133.57 2d8h n PRO 17 Ca -0.15 -0.51 -0.24 0.00 -0.04 0.00 0.00 63.50 62.57 2d8h n PRO 17 Cb 0.53 -0.47 -0.10 0.00 -0.04 0.00 0.00 33.50 33.41 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 -1.57 2.27 -0.18 0.52 1.01 0.53 -4.90 121.20 118.88 2d8h s ILE 18 Ca 0.21 -2.31 -0.01 0.00 0.00 0.00 0.00 60.65 58.54 2d8h s ILE 18 Cb -0.02 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 40.05 2d8h s ILE 18 CO 0.16 -0.35 -0.14 -1.61 0.00 0.00 0.00 174.94 173.00 2d8h s GLU 19 N -3.57 3.20 0.00 2.79 2.02 -1.26 0.66 118.70 122.54 2d8h s GLU 19 Ca 0.30 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.60 2d8h s GLU 19 Cb -0.02 -2.72 -0.01 0.00 0.10 0.00 0.00 34.13 31.48 2d8h s GLU 19 CO 0.14 -0.11 -0.15 0.14 0.02 0.00 0.00 175.26 175.31 2d8h s VAL 20 N 1.13 1.16 -0.29 2.63 -7.23 -1.10 -4.84 120.40 111.87 2d8h s VAL 20 Ca 0.01 -0.71 -0.14 0.00 -1.81 0.00 0.00 61.98 59.32 2d8h s VAL 20 Cb -0.14 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 2d8h s VAL 20 CO -0.05 0.26 0.33 -0.89 -0.31 0.00 0.00 175.10 174.44 2d8h s THR 21 N -0.45 5.21 -0.28 5.32 2.01 -1.15 -1.06 115.64 125.23 2d8h s THR 21 Ca 0.05 0.38 -0.28 0.00 0.31 0.00 0.00 61.69 62.15 2d8h s THR 21 Cb -0.06 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2d8h s THR 21 CO -0.00 0.13 2.15 0.00 -0.69 0.00 0.00 174.62 176.21 2d8h s ALA 22 N 1.99 2.60 0.41 7.40 0.00 -1.02 -2.37 121.76 130.77 2d8h s ALA 22 Ca 0.12 0.55 0.17 0.00 0.00 0.00 0.00 51.96 52.80 2d8h s ALA 22 Cb -0.16 -4.10 1.00 0.00 0.00 0.00 0.00 23.12 19.86 2d8h s ALA 22 CO 0.11 -3.00 1.95 -0.07 0.00 0.00 0.00 175.76 174.74 2d8h h LEU 23 N 15.41 0.00 -8.51 0.00 3.38 -1.53 0.79 115.31 124.85 2d8h h LEU 23 Ca -0.37 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.40 2d8h h LEU 23 Cb 1.23 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.84 2d8h h LEU 23 CO 1.00 0.24 -0.53 -0.31 0.09 0.00 0.00 178.44 178.93 2d8h s TYR 24 N -4.36 0.99 0.72 1.13 2.02 -1.22 -4.76 117.35 111.87 2d8h s TYR 24 Ca -0.03 -1.25 -0.11 0.00 -0.37 0.00 0.00 57.07 55.31 2d8h s TYR 24 Cb 0.15 -0.42 0.02 0.00 -0.40 0.00 0.00 41.96 41.31 2d8h s TYR 24 CO 0.68 -0.69 1.08 -1.54 -1.57 0.00 0.00 175.55 173.51 2d8h s SER 25 N -3.12 5.29 0.18 2.29 1.04 -1.26 -3.53 113.70 114.58 2d8h s SER 25 Ca 0.35 1.32 -0.14 0.00 0.48 0.00 0.00 55.95 57.97 2d8h s SER 25 Cb 0.06 -2.16 0.01 0.00 0.10 0.00 0.00 66.02 64.03 2d8h s SER 25 CO 0.10 -1.47 0.41 0.12 0.98 0.00 0.00 173.24 173.39 2d8h s PHE 26 N -3.21 0.12 -0.25 5.02 2.19 -1.05 -4.90 117.98 115.91 2d8h s PHE 26 Ca 0.58 -0.47 -0.03 0.00 0.33 0.00 0.00 56.93 57.34 2d8h s PHE 26 Cb -0.13 0.19 0.14 0.00 -1.31 0.00 0.00 43.02 41.91 2d8h s PHE 26 CO 0.53 -0.82 0.40 -1.21 1.83 0.00 0.00 175.22 175.95 2d8h s GLU 27 N -3.92 0.36 0.02 10.12 2.02 -1.26 -4.02 118.70 122.02 2d8h s GLU 27 Ca 0.13 0.60 -0.31 0.00 0.02 0.00 0.00 54.97 55.40 2d8h s GLU 27 Cb 0.01 -0.36 -0.10 0.00 0.10 0.00 0.00 34.13 33.79 2d8h s GLU 27 CO -0.02 -0.62 1.94 0.41 0.02 0.00 0.00 175.26 176.99 2d8h n GLY 28 N 5.37 1.75 0.08 -1.39 0.00 -1.16 -4.86 105.19 104.98 2d8h n GLY 28 Ca -0.04 0.82 -0.05 0.00 0.00 0.00 0.00 46.02 46.75 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 10.02 0.00 -6.19 1.61 7.50 -1.96 -3.47 115.11 122.62 2d8h h GLN 29 Ca -0.49 0.00 -0.47 0.00 0.50 0.00 0.00 58.65 58.19 2d8h h GLN 29 Cb 1.25 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.76 2d8h h GLN 29 CO 0.94 0.73 -0.45 -0.65 -1.50 0.00 0.00 178.83 177.90 2d8h s GLN 30 N -2.75 3.31 0.00 1.46 -0.21 -1.26 -4.98 119.66 115.22 2d8h s GLN 30 Ca -0.00 -0.84 0.12 0.00 0.02 0.00 0.00 55.36 54.66 2d8h s GLN 30 Cb 0.09 -2.81 0.71 0.00 1.00 0.00 0.00 33.01 32.01 2d8h s GLN 30 CO 0.81 0.42 1.14 -0.35 -2.12 0.00 0.00 175.29 175.19 2d8h n PRO 31 N -1.35 0.49 -0.55 2.91 -0.04 -1.26 -2.40 135.00 132.79 2d8h n PRO 31 Ca -0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 2d8h n PRO 31 Cb 0.57 -1.38 0.14 0.00 -0.04 0.00 0.00 33.50 32.80 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 4.09 2.04 0.55 0.00 -1.26 -5.06 105.19 105.54 2d8h n GLY 32 Ca 0.09 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.90 1.63 -4.38 1.61 9.92 -1.01 -3.55 116.55 119.87 2d8h n ASP 33 Ca 0.15 -1.94 -0.25 0.00 -0.53 0.00 0.00 54.79 52.22 2d8h n ASP 33 Cb 0.74 -0.10 -0.12 0.00 -0.64 0.00 0.00 41.12 41.00 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 2.41 -0.19 0.64 2.96 -1.20 -4.20 118.68 119.09 2d8h s LEU 34 Ca 0.22 -0.84 0.01 0.00 -0.22 0.00 0.00 54.13 53.31 2d8h s LEU 34 Cb -0.02 -1.04 0.02 0.00 0.50 0.00 0.00 46.19 45.66 2d8h s LEU 34 CO 0.14 0.07 -0.18 0.20 -1.32 0.00 0.00 176.35 175.26 2d8h s ASN 35 N -2.53 3.36 0.28 3.68 -0.87 -1.26 -2.96 114.94 114.63 2d8h s ASN 35 Ca 0.17 -0.72 0.04 0.00 -1.57 0.00 0.00 52.86 50.78 2d8h s ASN 35 Cb -0.08 -1.51 -0.03 0.00 -0.02 0.00 0.00 41.25 39.61 2d8h s ASN 35 CO 0.08 -0.02 0.21 0.72 -2.57 0.00 0.00 177.10 175.52 2d8h s PHE 36 N 1.28 1.52 0.19 2.20 -0.71 -1.26 -4.98 117.98 116.23 2d8h s PHE 36 Ca 0.04 -1.53 0.03 0.00 -1.04 0.00 0.00 56.93 54.42 2d8h s PHE 36 Cb -0.14 -0.67 -0.05 0.00 -1.21 0.00 0.00 43.02 40.95 2d8h s PHE 36 CO -0.11 -0.76 -0.01 -0.65 -1.34 0.00 0.00 175.22 172.35 2d8h s GLN 37 N -3.75 1.19 -0.39 1.99 -1.52 -1.26 -2.52 119.66 113.40 2d8h s GLN 37 Ca 0.40 -1.58 -0.27 0.00 -1.95 0.00 0.00 55.36 51.96 2d8h s GLN 37 Cb 0.04 -0.45 -0.06 0.00 -0.22 0.00 0.00 33.01 32.32 2d8h s GLN 37 CO 0.21 -0.09 2.33 0.00 -0.25 0.00 0.00 175.29 177.49 2d8h s ALA 38 N -3.52 2.03 0.00 6.09 0.00 -1.23 -1.18 121.76 123.94 2d8h s ALA 38 Ca 0.25 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2d8h s ALA 38 Cb 0.05 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2d8h s ALA 38 CO 0.05 -3.86 0.00 0.41 0.00 0.00 0.00 175.76 172.36 2d8h n GLY 39 N 5.91 0.98 3.71 0.00 0.00 0.28 -4.94 105.19 111.14 2d8h n GLY 39 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 6.60 -0.06 1.61 1.11 -0.33 -4.50 116.67 119.86 2d8h s ASP 40 Ca 0.00 2.58 -0.29 0.00 0.18 0.00 0.00 52.55 55.02 2d8h s ASP 40 Cb 0.00 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 2d8h s ASP 40 CO 0.00 -0.83 0.97 -0.13 1.18 0.00 0.00 175.17 176.36 2d8h s ARG 41 N 1.42 4.48 -0.24 8.23 3.00 -1.26 -2.42 118.95 132.16 2d8h s ARG 41 Ca 0.71 1.37 -0.05 0.00 0.00 0.00 0.00 55.73 57.75 2d8h s ARG 41 Cb -0.43 -3.50 -0.01 0.00 0.00 0.00 0.00 34.95 31.01 2d8h s ARG 41 CO 0.31 -0.17 0.00 0.42 0.00 0.00 0.00 175.30 175.86 2d8h s ILE 42 N 1.49 3.71 -0.74 1.52 1.01 -0.22 -4.77 121.20 123.20 2d8h s ILE 42 Ca 0.49 -0.42 -0.26 0.00 0.00 0.00 0.00 60.65 60.46 2d8h s ILE 42 Cb -0.19 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.55 2d8h s ILE 42 CO 0.22 0.36 1.57 -0.89 0.00 0.00 0.00 174.94 176.20 2d8h s THR 43 N 1.52 3.59 -0.04 2.92 2.01 0.11 -2.69 115.64 123.05 2d8h s THR 43 Ca 0.06 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 2d8h s THR 43 Cb -0.15 -4.50 -0.06 0.00 0.01 0.00 0.00 72.50 67.80 2d8h s THR 43 CO -0.01 -1.45 1.67 -0.69 -0.69 0.00 0.00 174.62 173.46 2d8h s VAL 44 N 7.25 3.53 -0.19 3.82 1.01 0.21 0.37 120.40 136.40 2d8h s VAL 44 Ca 0.51 0.65 0.06 0.00 0.00 0.00 0.00 61.98 63.20 2d8h s VAL 44 Cb -0.09 -3.42 -0.16 0.00 0.00 0.00 0.00 36.38 32.71 2d8h s VAL 44 CO 0.13 -0.06 -0.10 2.30 0.00 0.00 0.00 175.10 177.37 2d8h n ILE 45 N 5.46 1.17 -3.50 2.22 -5.35 -0.10 -0.35 119.36 118.92 2d8h n ILE 45 Ca 0.17 -0.54 -0.20 0.00 -0.27 0.00 0.00 62.75 61.92 2d8h n ILE 45 Cb 0.43 -1.01 -0.13 0.00 -1.74 0.00 0.00 39.64 37.18 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 -5.68 1.79 0.28 7.28 0.15 -0.57 -4.89 113.70 112.07 2d8h s SER 46 Ca -0.21 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.00 2d8h s SER 46 Cb 0.06 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.60 2d8h s SER 46 CO 0.54 -0.35 0.17 2.29 1.20 0.00 0.00 173.24 177.09 2d8h n LYS 47 N 5.30 0.46 -4.36 5.44 -0.00 -1.26 -0.27 118.16 123.48 2d8h n LYS 47 Ca -0.05 -2.59 -0.22 0.00 -0.00 0.00 0.00 58.31 55.45 2d8h n LYS 47 Cb 0.48 1.80 -0.11 0.00 -0.00 0.00 0.00 35.03 37.21 2d8h n LYS 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2d8h s THR 48 N -2.90 1.93 -1.51 0.58 -4.23 -1.26 -5.02 115.64 103.23 2d8h s THR 48 Ca 0.24 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 58.62 2d8h s THR 48 Cb 0.01 -1.95 -0.00 0.00 1.34 0.00 0.00 72.50 71.90 2d8h s THR 48 CO 0.17 -0.35 2.59 -0.90 -0.54 0.00 0.00 174.62 175.59 2d8h n ASP 49 N 0.07 7.07 -3.65 3.99 5.75 -1.26 -4.78 116.55 123.75 2d8h n ASP 49 Ca -0.11 -2.78 -0.02 0.00 -0.01 0.00 0.00 54.79 51.87 2d8h n ASP 49 Cb 0.58 -1.55 -0.07 0.00 -1.03 0.00 0.00 41.12 39.05 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2d8h s SER 50 N 2.04 -0.28 1.07 -1.12 0.01 -1.26 -5.18 113.70 108.99 2d8h s SER 50 Ca 0.59 0.47 -0.16 0.00 1.31 0.00 0.00 55.95 58.17 2d8h s SER 50 Cb 0.16 0.89 0.22 0.00 0.21 0.00 0.00 66.02 67.50 2d8h s SER 50 CO -0.07 -0.08 1.08 0.00 0.41 0.00 0.00 173.24 174.58 2d8h n HIS 51 N 2.87 -3.92 -2.61 2.43 1.44 -1.26 -4.21 115.22 109.96 2d8h n HIS 51 Ca -0.16 -0.96 -0.21 0.00 -2.01 0.00 0.00 57.72 54.39 2d8h n HIS 51 Cb 0.57 -0.92 0.00 0.00 0.12 0.00 0.00 29.99 29.76 2d8h n HIS 51 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2d8h n PHE 52 N -3.91 -1.34 -4.07 -1.40 7.35 -1.26 -4.97 117.46 107.86 2d8h n PHE 52 Ca 0.14 0.17 -0.08 0.00 -0.76 0.00 0.00 57.45 56.91 2d8h n PHE 52 Cb 0.50 -4.05 -0.10 0.00 0.35 0.00 0.00 39.48 36.18 2d8h n PHE 52 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2d8h s ASP 53 N -2.26 0.54 -0.07 -2.13 1.01 -1.26 -5.00 116.67 107.50 2d8h s ASP 53 Ca 0.10 -0.84 -0.22 0.00 0.71 0.00 0.00 52.55 52.30 2d8h s ASP 53 Cb -0.04 0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.99 2d8h s ASP 53 CO 0.12 -0.48 0.65 0.26 0.21 0.00 0.00 175.17 175.93 2d8h s TRP 54 N -3.08 3.58 0.44 4.23 0.52 -1.26 -0.88 118.94 122.49 2d8h s TRP 54 Ca 0.01 1.18 0.07 0.00 0.02 0.00 0.00 56.10 57.37 2d8h s TRP 54 Cb 0.02 -2.74 -0.03 0.00 -1.15 0.00 0.00 33.47 29.57 2d8h s TRP 54 CO -0.06 0.13 0.21 -1.58 0.02 0.00 0.00 176.95 175.67 2d8h s TRP 55 N 0.66 2.41 -0.26 -1.98 0.51 0.91 -4.85 118.94 116.33 2d8h s TRP 55 Ca 0.35 -0.65 -0.01 0.00 -2.12 0.00 0.00 56.10 53.66 2d8h s TRP 55 Cb -0.17 -1.94 0.04 0.00 -0.81 0.00 0.00 33.47 30.58 2d8h s TRP 55 CO 0.17 0.07 -0.05 -2.00 -0.51 0.00 0.00 176.95 174.62 2d8h s GLU 56 N -3.97 2.66 0.46 4.98 2.12 0.63 -1.47 118.70 124.10 2d8h s GLU 56 Ca 0.38 -1.09 0.03 0.00 0.36 0.00 0.00 54.97 54.64 2d8h s GLU 56 Cb 0.02 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 2d8h s GLU 56 CO 0.21 -0.48 0.11 0.20 -0.54 0.00 0.00 175.26 174.76 2d8h s GLY 57 N 1.28 2.84 -0.01 -1.50 0.00 -1.12 -0.92 107.32 107.90 2d8h s GLY 57 Ca -0.02 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.92 2d8h s GLY 57 CO -0.04 -1.94 -0.14 0.54 0.00 0.00 0.00 173.10 171.52 2d8h s LYS 58 N -3.72 1.15 -0.04 2.90 1.02 0.16 -2.99 119.74 118.21 2d8h s LYS 58 Ca 0.16 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.63 2d8h s LYS 58 Cb 0.01 -1.11 0.03 0.00 -0.52 0.00 0.00 37.83 36.25 2d8h s LYS 58 CO 0.11 0.30 0.08 -1.17 -0.92 0.00 0.00 175.35 173.75 2d8h s LEU 59 N -0.32 0.83 -1.17 3.17 2.96 -0.22 0.07 118.68 124.00 2d8h s LEU 59 Ca 0.05 0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 54.01 2d8h s LEU 59 Cb -0.06 0.09 0.09 0.00 0.50 0.00 0.00 46.19 46.81 2d8h s LEU 59 CO -0.00 -0.15 0.41 0.54 -1.32 0.00 0.00 176.35 175.83 2d8h n ARG 60 N 4.33 -2.83 0.00 1.98 1.74 -1.26 0.12 116.66 120.74 2d8h n ARG 60 Ca -0.25 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2d8h n ARG 60 Cb 0.51 -4.99 0.00 0.00 -1.02 0.00 0.00 32.46 26.95 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 -1.03 2.88 3.70 -0.13 0.00 -1.26 -5.03 105.19 104.32 2d8h n GLY 61 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.10 1.18 -0.08 1.61 -0.21 0.32 -5.05 119.66 117.33 2d8h s GLN 62 Ca 0.00 0.99 -0.11 0.00 0.02 0.00 0.00 55.36 56.26 2d8h s GLN 62 Cb 0.00 -1.79 0.03 0.00 1.00 0.00 0.00 33.01 32.25 2d8h s GLN 62 CO 0.00 -2.34 0.29 0.99 -2.12 0.00 0.00 175.29 172.11 2d8h s THR 63 N -2.84 0.02 -0.01 -0.19 2.01 -1.26 -1.06 115.64 112.31 2d8h s THR 63 Ca 0.64 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 2d8h s THR 63 Cb -0.19 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 71.86 2d8h s THR 63 CO 0.58 -0.08 0.15 0.61 -0.69 0.00 0.00 174.62 175.18 2d8h n GLY 64 N 2.46 0.41 3.70 4.40 0.00 -1.16 -4.56 105.19 110.44 2d8h n GLY 64 Ca -0.15 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 2d8h n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2d8h s ILE 65 N -2.03 4.17 -0.01 -0.61 -4.36 -1.23 -2.78 121.20 114.35 2d8h s ILE 65 Ca 0.03 -0.76 -0.27 0.00 -0.26 0.00 0.00 60.65 59.39 2d8h s ILE 65 Cb -0.00 -2.93 0.06 0.00 1.25 0.00 0.00 42.46 40.84 2d8h s ILE 65 CO -0.00 0.24 0.60 0.72 0.24 0.00 0.00 174.94 176.74 2d8h s PHE 66 N -1.22 -0.55 -0.02 1.37 -0.71 -0.54 -3.26 117.98 113.05 2d8h s PHE 66 Ca 0.23 0.84 -0.30 0.00 -1.04 0.00 0.00 56.93 56.66 2d8h s PHE 66 Cb -0.12 0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 42.01 2d8h s PHE 66 CO 0.15 -0.61 1.46 -1.25 -1.34 0.00 0.00 175.22 173.63 2d8h s PRO 67 N -1.66 4.25 0.51 1.99 0.04 -1.26 -0.06 135.00 138.80 2d8h s PRO 67 Ca -0.09 2.02 0.20 0.00 0.04 0.00 0.00 61.00 63.16 2d8h s PRO 67 Cb -0.01 -3.66 1.27 0.00 0.04 0.00 0.00 34.50 32.14 2d8h s PRO 67 CO 0.05 -0.65 2.04 0.00 0.04 0.00 0.00 177.00 178.49 2d8h h ALA 68 N 8.20 2.23 0.00 8.56 0.00 -1.36 0.77 119.26 137.65 2d8h h ALA 68 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2d8h h ALA 68 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2d8h h ALA 68 CO 0.92 -0.32 0.00 -0.91 0.00 0.00 0.00 179.25 178.94 2d8h h ASN 69 N 0.09 0.00 -0.03 0.00 2.35 -1.91 0.26 115.58 116.35 2d8h h ASN 69 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2d8h h ASN 69 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2d8h h ASN 69 CO -0.02 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.54 2d8h n TYR 70 N -2.66 0.02 -4.29 1.19 4.02 0.26 -4.90 117.16 110.80 2d8h n TYR 70 Ca -0.02 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.90 57.71 2d8h n TYR 70 Cb 0.05 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.27 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 -1.98 0.40 0.26 -0.72 -7.23 0.92 -1.36 120.40 110.68 2d8h s VAL 71 Ca 0.38 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 2d8h s VAL 71 Cb 0.21 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 2d8h s VAL 71 CO 0.33 0.00 0.10 0.28 -0.31 0.00 0.00 175.10 175.50 2d8h s THR 72 N -3.86 0.57 -0.32 5.32 -1.32 -1.00 -4.81 115.64 110.22 2d8h s THR 72 Ca 0.38 -2.00 0.14 0.00 -1.21 0.00 0.00 61.69 59.00 2d8h s THR 72 Cb 0.07 -2.64 0.47 0.00 -1.51 0.00 0.00 72.50 68.90 2d8h s THR 72 CO 0.13 0.00 1.10 0.23 -2.21 0.00 0.00 174.62 173.87 2d8h n MET 73 N -0.48 2.45 -1.58 7.08 2.81 -1.26 -2.94 117.12 123.19 2d8h n MET 73 Ca -0.00 -3.83 -0.41 0.00 -1.81 0.00 0.00 57.70 51.66 2d8h n MET 73 Cb 0.66 -1.84 -0.03 0.00 -0.71 0.00 0.00 33.22 31.31 2d8h n MET 73 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2d8h n ASN 74 N -0.49 2.94 -4.86 7.83 5.15 -1.26 -4.95 115.26 119.61 2d8h n ASN 74 Ca 0.24 -0.04 -0.22 0.00 -0.60 0.00 0.00 54.58 53.95 2d8h n ASN 74 Cb 0.82 -1.57 0.07 0.00 -0.53 0.00 0.00 39.78 38.57 2d8h n ASN 74 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2d8h s SER 75 N 9.68 4.90 0.08 1.20 0.01 -1.26 -5.00 113.70 123.32 2d8h s SER 75 Ca 1.00 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 58.08 2d8h s SER 75 Cb -0.28 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.45 2d8h s SER 75 CO 0.32 -1.44 0.00 0.61 0.41 0.00 0.00 173.24 173.15 2d8h n GLY 76 N -2.54 -3.06 0.00 3.44 0.00 -1.26 -4.63 105.19 97.15 2d8h n GLY 76 Ca 0.11 -1.19 0.07 0.00 0.00 0.00 0.00 46.02 45.01 2d8h n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8h n PRO 77 N -1.40 0.08 -1.12 1.61 -0.04 -1.26 -4.80 135.00 128.07 2d8h n PRO 77 Ca 0.00 0.21 -0.31 0.00 -0.04 0.00 0.00 63.50 63.37 2d8h n PRO 77 Cb 0.04 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.13 2d8h n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8h s SER 78 N -2.84 3.78 0.01 3.54 0.15 -1.26 -4.99 113.70 112.08 2d8h s SER 78 Ca 0.10 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.52 2d8h s SER 78 Cb 0.10 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2d8h s SER 78 CO 0.25 -2.49 0.00 -1.20 1.20 0.00 0.00 173.24 171.00 2d8h n SER 79 N -3.81 0.01 0.00 5.45 7.64 -1.26 -5.01 113.62 116.63 2d8h n SER 79 Ca 0.09 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2d8h n SER 79 Cb 0.54 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2d8h n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64