#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 2.27 0.07 1.61 0.15 -1.26 -4.93 113.70 111.62 2d8h s SER 2 Ca 0.00 1.14 -0.31 0.00 0.70 0.00 0.00 55.95 57.48 2d8h s SER 2 Cb 0.00 -1.79 -0.09 0.00 -1.71 0.00 0.00 66.02 62.44 2d8h s SER 2 CO 0.00 -3.34 1.69 -0.44 1.20 0.00 0.00 173.24 172.35 2d8h s SER 3 N -3.42 6.57 -0.14 5.45 0.01 -1.26 -4.99 113.70 115.92 2d8h s SER 3 Ca 0.66 2.53 -0.01 0.00 1.31 0.00 0.00 55.95 60.44 2d8h s SER 3 Cb -0.19 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 2d8h s SER 3 CO 0.58 -0.91 -0.11 -0.83 0.41 0.00 0.00 173.24 172.37 2d8h s GLY 4 N 2.55 1.57 -0.56 3.44 0.00 -1.26 -5.08 107.32 107.98 2d8h s GLY 4 Ca 0.76 -0.89 -0.20 0.00 0.00 0.00 0.00 44.72 44.39 2d8h s GLY 4 CO 0.33 -0.15 0.73 -0.45 0.00 0.00 0.00 173.10 173.56 2d8h s SER 5 N 0.39 6.21 -0.17 1.64 0.15 -1.26 -5.00 113.70 115.66 2d8h s SER 5 Ca -0.09 -1.04 -0.03 0.00 0.70 0.00 0.00 55.95 55.48 2d8h s SER 5 Cb -0.16 -2.32 0.06 0.00 -1.71 0.00 0.00 66.02 61.89 2d8h s SER 5 CO 0.05 -1.07 0.05 -0.44 1.20 0.00 0.00 173.24 173.02 2d8h s SER 6 N 3.15 2.56 0.00 5.45 0.01 -1.26 -5.12 113.70 118.49 2d8h s SER 6 Ca 0.16 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2d8h s SER 6 Cb -0.20 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.56 2d8h s SER 6 CO 0.10 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2d8h n GLY 7 N 5.13 -0.53 3.05 3.44 0.00 -1.26 -4.92 105.19 110.10 2d8h n GLY 7 Ca -0.08 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 3.70 -0.94 1.61 0.00 -1.26 -5.02 115.29 113.39 2d8h s HIS 8 Ca 0.00 -3.06 -0.18 0.00 -3.00 0.00 0.00 55.06 48.82 2d8h s HIS 8 Cb 0.00 -3.09 0.14 0.00 -4.00 0.00 0.00 32.58 25.64 2d8h s HIS 8 CO 0.00 -0.71 1.11 -2.00 -1.00 0.00 0.00 174.74 172.15 2d8h s GLU 9 N -1.12 3.63 -0.63 -0.38 2.12 -1.26 -4.85 118.70 116.20 2d8h s GLU 9 Ca 0.25 -1.87 0.00 0.00 0.36 0.00 0.00 54.97 53.71 2d8h s GLU 9 Cb -0.10 -4.88 0.42 0.00 0.26 0.00 0.00 34.13 29.83 2d8h s GLU 9 CO -0.11 -1.73 1.79 0.54 -0.54 0.00 0.00 175.26 175.21 2d8h n ARG 10 N 6.27 2.95 -0.07 4.30 5.12 -1.26 -4.67 116.66 129.29 2d8h n ARG 10 Ca 0.24 -3.64 -0.14 0.00 -1.93 0.00 0.00 57.85 52.38 2d8h n ARG 10 Cb 0.49 -2.28 -0.06 0.00 -1.16 0.00 0.00 32.46 29.45 2d8h n ARG 10 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 2d8h h VAL 11 N 1.66 1.32 0.00 1.55 -1.51 -1.94 -3.50 116.25 113.83 2d8h h VAL 11 Ca 0.52 -1.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 2d8h h VAL 11 Cb 0.72 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2d8h h VAL 11 CO 1.33 0.47 0.00 0.61 -1.23 0.00 0.00 177.57 178.74 2d8h n GLY 12 N 0.28 3.14 3.75 5.19 0.00 -1.26 -4.93 105.19 111.36 2d8h n GLY 12 Ca -0.05 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 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 7.41 -0.58 1.61 0.02 -1.26 -5.02 114.94 117.12 2d8h s ASN 13 Ca 0.00 2.09 -0.04 0.00 -1.02 0.00 0.00 52.86 53.88 2d8h s ASN 13 Cb 0.00 -2.61 0.15 0.00 0.02 0.00 0.00 41.25 38.81 2d8h s ASN 13 CO 0.00 -0.05 0.41 -1.48 0.02 0.00 0.00 177.10 175.99 2d8h s LEU 14 N -0.99 5.42 0.21 0.60 2.34 -1.26 -4.96 118.68 120.04 2d8h s LEU 14 Ca 0.45 -2.57 -0.06 0.00 0.06 0.00 0.00 54.13 52.00 2d8h s LEU 14 Cb -0.29 -1.90 0.35 0.00 -0.56 0.00 0.00 46.19 43.79 2d8h s LEU 14 CO 0.36 -0.46 1.20 0.59 -1.06 0.00 0.00 176.35 176.98 2d8h n ASN 15 N 3.91 -0.29 -4.61 1.48 3.02 -1.26 -4.22 115.26 113.29 2d8h n ASN 15 Ca 0.05 1.33 -0.32 0.00 -0.03 0.00 0.00 54.58 55.60 2d8h n ASN 15 Cb 0.40 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 2d8h n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d8h s GLN 16 N -5.96 2.60 1.16 3.52 -2.07 -1.26 -5.12 119.66 112.52 2d8h s GLN 16 Ca -0.12 -0.69 -0.18 0.00 -1.82 0.00 0.00 55.36 52.55 2d8h s GLN 16 Cb 0.21 -2.53 0.27 0.00 -1.09 0.00 0.00 33.01 29.86 2d8h s GLN 16 CO 0.60 0.61 1.11 -1.25 -1.32 0.00 0.00 175.29 175.03 2d8h s PRO 17 N -1.41 -0.87 0.20 9.60 0.04 -1.26 -5.07 135.00 136.23 2d8h s PRO 17 Ca 0.17 0.06 0.10 0.00 0.04 0.00 0.00 61.00 61.36 2d8h s PRO 17 Cb -0.11 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 2d8h s PRO 17 CO 0.08 -3.51 -0.19 0.42 0.04 0.00 0.00 177.00 173.84 2d8h s ILE 18 N -3.00 2.03 -0.19 0.56 1.01 -0.76 -4.94 121.20 115.91 2d8h s ILE 18 Ca 0.70 -2.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.22 2d8h s ILE 18 Cb -0.12 -2.04 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 2d8h s ILE 18 CO 0.56 -0.37 -0.11 -1.61 0.00 0.00 0.00 174.94 173.41 2d8h s GLU 19 N -3.14 3.26 0.04 2.79 2.02 -1.26 0.15 118.70 122.56 2d8h s GLU 19 Ca 0.21 -0.70 0.07 0.00 0.02 0.00 0.00 54.97 54.57 2d8h s GLU 19 Cb -0.05 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2d8h s GLU 19 CO 0.09 -0.11 -0.20 0.14 0.02 0.00 0.00 175.26 175.20 2d8h s VAL 20 N 1.16 1.63 -0.28 2.63 -7.23 -1.00 -4.87 120.40 112.44 2d8h s VAL 20 Ca 0.01 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 2d8h s VAL 20 Cb -0.14 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2d8h s VAL 20 CO -0.04 0.22 0.19 -0.89 -0.31 0.00 0.00 175.10 174.27 2d8h s THR 21 N -0.77 5.31 -0.20 5.32 2.01 -1.20 -1.08 115.64 125.02 2d8h s THR 21 Ca 0.07 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 61.97 2d8h s THR 21 Cb -0.09 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 2d8h s THR 21 CO 0.01 0.26 2.04 0.00 -0.69 0.00 0.00 174.62 176.24 2d8h s ALA 22 N 1.71 2.93 0.30 7.40 0.00 -0.70 -2.70 121.76 130.69 2d8h s ALA 22 Ca 0.07 0.72 0.13 0.00 0.00 0.00 0.00 51.96 52.89 2d8h s ALA 22 Cb -0.16 -4.01 0.59 0.00 0.00 0.00 0.00 23.12 19.54 2d8h s ALA 22 CO 0.10 -2.51 1.73 -0.07 0.00 0.00 0.00 175.76 175.01 2d8h h LEU 23 N 13.85 0.00 -7.99 0.00 3.38 -0.19 1.43 115.31 125.80 2d8h h LEU 23 Ca -0.40 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 2d8h h LEU 23 Cb 1.22 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.80 2d8h h LEU 23 CO 0.98 0.47 -0.56 -0.31 0.09 0.00 0.00 178.44 179.11 2d8h s TYR 24 N -3.85 0.29 0.57 1.13 2.02 -1.17 -4.73 117.35 111.61 2d8h s TYR 24 Ca -0.02 -0.69 -0.18 0.00 -0.37 0.00 0.00 57.07 55.82 2d8h s TYR 24 Cb 0.13 -0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.44 2d8h s TYR 24 CO 0.73 -0.39 1.09 -1.12 -1.57 0.00 0.00 175.55 174.29 2d8h s SER 25 N -2.44 5.71 0.12 2.29 0.01 -1.26 -3.73 113.70 114.40 2d8h s SER 25 Ca -0.01 1.99 -0.09 0.00 1.31 0.00 0.00 55.95 59.16 2d8h s SER 25 Cb 0.02 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 2d8h s SER 25 CO -0.07 -1.22 0.24 0.12 0.41 0.00 0.00 173.24 172.71 2d8h s PHE 26 N -2.13 0.24 -0.22 2.43 5.36 -0.37 -4.85 117.98 118.45 2d8h s PHE 26 Ca 0.68 -0.64 -0.04 0.00 -0.96 0.00 0.00 56.93 55.97 2d8h s PHE 26 Cb -0.20 -0.05 0.10 0.00 -0.34 0.00 0.00 43.02 42.53 2d8h s PHE 26 CO 0.32 -0.62 0.21 -1.21 -1.46 0.00 0.00 175.22 172.46 2d8h s GLU 27 N -3.90 0.20 -0.66 10.12 2.02 -1.26 -2.96 118.70 122.26 2d8h s GLU 27 Ca 0.10 0.06 -0.31 0.00 0.02 0.00 0.00 54.97 54.85 2d8h s GLU 27 Cb 0.04 -1.18 -0.14 0.00 0.10 0.00 0.00 34.13 32.95 2d8h s GLU 27 CO -0.06 -0.74 2.47 0.41 0.02 0.00 0.00 175.26 177.35 2d8h n GLY 28 N 5.31 -0.02 0.20 -1.39 0.00 -1.12 -4.77 105.19 103.40 2d8h n GLY 28 Ca -0.05 0.93 0.02 0.00 0.00 0.00 0.00 46.02 46.92 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 14.64 0.05 -6.39 1.61 1.08 -1.95 -3.44 115.11 120.71 2d8h h GLN 29 Ca -0.17 -0.02 -0.49 0.00 -1.45 0.00 0.00 58.65 56.52 2d8h h GLN 29 Cb 1.30 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.73 2d8h h GLN 29 CO 1.22 0.37 -0.26 -0.65 -0.95 0.00 0.00 178.83 178.56 2d8h s GLN 30 N -4.30 3.50 0.00 1.46 -1.52 -1.26 -4.98 119.66 112.56 2d8h s GLN 30 Ca -0.03 -0.38 0.15 0.00 -1.95 0.00 0.00 55.36 53.15 2d8h s GLN 30 Cb 0.15 -2.74 0.85 0.00 -0.22 0.00 0.00 33.01 31.04 2d8h s GLN 30 CO 0.73 0.26 1.37 -0.35 -0.25 0.00 0.00 175.29 177.05 2d8h n PRO 31 N -1.37 0.36 -0.42 2.91 -0.04 -1.26 -2.41 135.00 132.77 2d8h n PRO 31 Ca -0.05 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.55 2d8h n PRO 31 Cb 0.56 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.03 4.41 2.84 0.55 0.00 -1.26 -5.05 105.19 106.65 2d8h n GLY 32 Ca 0.10 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.07 2.10 -4.34 1.61 9.92 -1.01 -3.59 116.55 120.18 2d8h n ASP 33 Ca 0.15 -2.33 -0.30 0.00 -0.53 0.00 0.00 54.79 51.78 2d8h n ASP 33 Cb 0.70 -0.11 -0.15 0.00 -0.64 0.00 0.00 41.12 40.93 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 -0.21 0.64 2.96 -1.10 -4.43 118.68 118.70 2d8h s LEU 34 Ca 0.29 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 2d8h s LEU 34 Cb -0.02 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 2d8h s LEU 34 CO 0.18 0.26 -0.04 0.20 -1.32 0.00 0.00 176.35 175.64 2d8h s ASN 35 N -1.18 4.43 0.27 3.68 0.02 -1.26 -2.78 114.94 118.11 2d8h s ASN 35 Ca 0.11 -0.33 0.03 0.00 -1.02 0.00 0.00 52.86 51.65 2d8h s ASN 35 Cb -0.10 -1.75 -0.03 0.00 0.02 0.00 0.00 41.25 39.38 2d8h s ASN 35 CO 0.02 0.02 0.22 0.72 0.02 0.00 0.00 177.10 178.09 2d8h s PHE 36 N 1.24 1.44 0.18 2.20 -0.71 -1.16 -4.95 117.98 116.22 2d8h s PHE 36 Ca 0.03 -1.51 0.07 0.00 -1.04 0.00 0.00 56.93 54.48 2d8h s PHE 36 Cb -0.14 -0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 41.00 2d8h s PHE 36 CO -0.01 -0.77 -0.13 -0.65 -1.34 0.00 0.00 175.22 172.32 2d8h s GLN 37 N -3.78 1.24 -0.39 1.99 -0.21 -1.26 -1.23 119.66 116.01 2d8h s GLN 37 Ca 0.39 -1.54 -0.27 0.00 0.02 0.00 0.00 55.36 53.97 2d8h s GLN 37 Cb 0.04 -0.97 -0.06 0.00 1.00 0.00 0.00 33.01 33.02 2d8h s GLN 37 CO 0.20 0.15 2.35 0.00 -2.12 0.00 0.00 175.29 175.87 2d8h n ALA 38 N -0.29 1.18 0.00 6.09 0.00 -1.24 -1.42 120.51 124.82 2d8h n ALA 38 Ca -0.09 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2d8h n ALA 38 Cb 0.60 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.97 2d8h n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8h n GLY 39 N 5.94 1.60 3.77 0.00 0.00 0.49 -4.89 105.19 112.09 2d8h n GLY 39 Ca 0.35 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2d8h n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d8h n ASP 40 N 0.00 3.77 -4.69 1.61 8.00 -0.51 -4.37 116.55 120.36 2d8h n ASP 40 Ca 0.00 1.21 -0.39 0.00 0.71 0.00 0.00 54.79 56.32 2d8h n ASP 40 Cb 0.00 -1.61 -0.06 0.00 -0.02 0.00 0.00 41.12 39.43 2d8h n ASP 40 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2d8h s ARG 41 N -1.75 4.31 -0.18 -1.24 3.00 -1.26 -1.72 118.95 120.11 2d8h s ARG 41 Ca 0.56 0.60 -0.04 0.00 0.00 0.00 0.00 55.73 56.85 2d8h s ARG 41 Cb -0.48 -3.50 -0.03 0.00 0.00 0.00 0.00 34.95 30.94 2d8h s ARG 41 CO 0.61 -0.02 -0.02 0.42 0.00 0.00 0.00 175.30 176.28 2d8h s ILE 42 N 1.19 3.92 -0.75 1.52 1.01 -0.24 -4.79 121.20 123.05 2d8h s ILE 42 Ca 0.29 -0.34 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 2d8h s ILE 42 Cb -0.16 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.60 2d8h s ILE 42 CO 0.12 0.47 1.28 -0.89 0.00 0.00 0.00 174.94 175.92 2d8h s THR 43 N 0.64 3.75 -0.14 2.92 2.01 -0.04 -2.39 115.64 122.39 2d8h s THR 43 Ca -0.01 0.34 -0.29 0.00 0.31 0.00 0.00 61.69 62.03 2d8h s THR 43 Cb -0.14 -4.92 -0.05 0.00 0.01 0.00 0.00 72.50 67.40 2d8h s THR 43 CO 0.02 -1.85 1.83 -0.69 -0.69 0.00 0.00 174.62 173.24 2d8h s VAL 44 N 5.66 3.38 -0.18 3.82 1.01 0.12 -0.48 120.40 133.73 2d8h s VAL 44 Ca 0.35 0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.83 2d8h s VAL 44 Cb -0.08 -3.37 -0.15 0.00 0.00 0.00 0.00 36.38 32.78 2d8h s VAL 44 CO 0.14 -0.14 -0.09 2.30 0.00 0.00 0.00 175.10 177.31 2d8h n ILE 45 N 6.38 1.12 -3.54 2.22 -5.35 -0.48 -1.83 119.36 117.88 2d8h n ILE 45 Ca 0.21 -0.52 -0.23 0.00 -0.27 0.00 0.00 62.75 61.94 2d8h n ILE 45 Cb 0.44 -0.97 -0.15 0.00 -1.74 0.00 0.00 39.64 37.22 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 -5.55 2.09 0.22 7.28 0.15 -0.65 -4.90 113.70 112.34 2d8h s SER 46 Ca -0.20 -0.57 -0.00 0.00 0.70 0.00 0.00 55.95 55.88 2d8h s SER 46 Cb 0.06 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.36 2d8h s SER 46 CO 0.53 -0.36 0.12 -1.59 1.20 0.00 0.00 173.24 173.14 2d8h s LYS 47 N 2.22 1.28 0.51 5.44 -2.85 -1.26 -0.22 119.74 124.85 2d8h s LYS 47 Ca 0.05 -1.68 0.01 0.00 -1.00 0.00 0.00 55.97 53.36 2d8h s LYS 47 Cb -0.16 0.11 0.01 0.00 -2.06 0.00 0.00 37.83 35.74 2d8h s LYS 47 CO -0.16 -0.37 0.11 0.25 0.10 0.00 0.00 175.35 175.28 2d8h n THR 48 N -0.34 0.00 -0.07 3.79 -2.24 -1.26 -4.94 114.28 109.22 2d8h n THR 48 Ca 0.02 -2.28 -0.13 0.00 -2.27 0.00 0.00 64.05 59.38 2d8h n THR 48 Cb 0.66 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 2d8h n THR 48 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2d8h h ASP 49 N 1.04 0.62 -4.02 3.42 1.82 -1.99 -3.44 116.42 113.86 2d8h h ASP 49 Ca -0.39 -0.49 -0.52 0.00 -0.39 0.00 0.00 57.03 55.23 2d8h h ASP 49 Cb 1.24 -0.17 0.09 0.00 0.68 0.00 0.00 39.33 41.17 2d8h h ASP 49 CO 0.64 0.99 0.53 -0.44 -1.61 0.00 0.00 179.24 179.35 2d8h s SER 50 N -6.42 5.77 -0.10 2.28 0.01 -1.26 -4.99 113.70 108.99 2d8h s SER 50 Ca -0.13 2.50 -0.06 0.00 1.31 0.00 0.00 55.95 59.57 2d8h s SER 50 Cb 0.07 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 2d8h s SER 50 CO 0.80 -1.20 -0.11 0.45 0.41 0.00 0.00 173.24 173.59 2d8h h HIS 51 N 1.77 0.00 -0.83 2.43 3.86 -1.99 -3.37 115.15 117.03 2d8h h HIS 51 Ca -0.50 0.00 0.34 0.00 -1.16 0.00 0.00 60.37 59.05 2d8h h HIS 51 Cb 1.27 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.59 2d8h h HIS 51 CO 0.50 0.00 0.42 0.34 0.86 0.00 0.00 177.93 180.05 2d8h n PHE 52 N -4.05 0.94 -0.97 2.45 7.35 -1.26 -3.88 117.46 118.03 2d8h n PHE 52 Ca -0.04 0.98 -0.33 0.00 -0.76 0.00 0.00 57.45 57.29 2d8h n PHE 52 Cb 0.16 -1.37 0.12 0.00 0.35 0.00 0.00 39.48 38.74 2d8h n PHE 52 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2d8h n ASP 53 N -4.89 -0.45 -4.79 -2.13 9.92 -1.26 -4.50 116.55 108.46 2d8h n ASP 53 Ca 0.31 0.48 -0.39 0.00 -0.53 0.00 0.00 54.79 54.66 2d8h n ASP 53 Cb 1.04 -1.36 -0.06 0.00 -0.64 0.00 0.00 41.12 40.10 2d8h n ASP 53 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2d8h s TRP 54 N -2.25 3.80 0.47 1.24 0.52 -1.26 -3.25 118.94 118.21 2d8h s TRP 54 Ca 0.66 1.36 0.06 0.00 0.02 0.00 0.00 56.10 58.20 2d8h s TRP 54 Cb -0.27 -2.61 -0.01 0.00 -1.15 0.00 0.00 33.47 29.42 2d8h s TRP 54 CO 0.58 0.49 0.27 -1.58 0.02 0.00 0.00 176.95 176.73 2d8h s TRP 55 N -0.81 2.23 -0.19 -1.98 0.51 0.30 -4.82 118.94 114.18 2d8h s TRP 55 Ca 0.32 -0.69 0.01 0.00 -2.12 0.00 0.00 56.10 53.62 2d8h s TRP 55 Cb -0.20 -1.95 0.03 0.00 -0.81 0.00 0.00 33.47 30.54 2d8h s TRP 55 CO 0.21 -0.08 -0.14 -2.00 -0.51 0.00 0.00 176.95 174.42 2d8h s GLU 56 N -4.06 2.44 0.38 4.98 2.12 0.69 -1.04 118.70 124.21 2d8h s GLU 56 Ca 0.37 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 54.87 2d8h s GLU 56 Cb 0.01 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.91 2d8h s GLU 56 CO 0.21 -0.34 0.11 0.41 -0.54 0.00 0.00 175.26 175.12 2d8h n GLY 57 N 4.64 3.37 3.12 -1.50 0.00 -1.07 -1.38 105.19 112.36 2d8h n GLY 57 Ca -0.17 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.44 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 -3.44 2.00 -0.03 1.61 1.02 0.37 -2.98 119.74 118.28 2d8h s LYS 58 Ca 0.16 -0.60 -0.07 0.00 0.02 0.00 0.00 55.97 55.48 2d8h s LYS 58 Cb 0.01 -1.65 0.01 0.00 -0.52 0.00 0.00 37.83 35.68 2d8h s LYS 58 CO 0.11 0.16 0.16 -1.17 -0.92 0.00 0.00 175.35 173.70 2d8h s LEU 59 N 0.30 1.42 -1.72 3.17 2.96 -0.88 -0.86 118.68 123.07 2d8h s LEU 59 Ca -0.10 0.09 -0.18 0.00 -0.22 0.00 0.00 54.13 53.72 2d8h s LEU 59 Cb -0.14 0.65 0.16 0.00 0.50 0.00 0.00 46.19 47.36 2d8h s LEU 59 CO 0.04 -0.22 0.70 0.54 -1.32 0.00 0.00 176.35 176.09 2d8h n ARG 60 N 2.23 -2.60 -2.91 1.98 1.74 -1.26 0.66 116.66 116.49 2d8h n ARG 60 Ca -0.18 0.32 -0.18 0.00 -0.77 0.00 0.00 57.85 57.04 2d8h n ARG 60 Cb 0.57 -4.93 0.03 0.00 -1.02 0.00 0.00 32.46 27.12 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 -1.42 -0.30 3.42 -0.13 0.00 -1.26 -5.01 105.19 100.50 2d8h n GLY 61 Ca 0.04 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.53 1.68 -0.05 1.61 -0.21 0.21 -5.17 119.66 112.20 2d8h s GLN 62 Ca 0.26 -1.96 -0.05 0.00 0.02 0.00 0.00 55.36 53.64 2d8h s GLN 62 Cb -0.12 -0.51 0.01 0.00 1.00 0.00 0.00 33.01 33.40 2d8h s GLN 62 CO 0.33 -0.35 0.13 0.99 -2.12 0.00 0.00 175.29 174.27 2d8h s THR 63 N -3.43 0.00 -0.05 -0.19 2.01 -1.26 -2.06 115.64 110.66 2d8h s THR 63 Ca 0.33 -0.02 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 2d8h s THR 63 Cb 0.06 -0.20 0.06 0.00 0.01 0.00 0.00 72.50 72.43 2d8h s THR 63 CO 0.15 -0.01 0.88 0.61 -0.69 0.00 0.00 174.62 175.56 2d8h n GLY 64 N 2.96 0.23 3.79 4.40 0.00 -1.16 -4.67 105.19 110.74 2d8h n GLY 64 Ca -0.13 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.02 4.59 -0.02 -0.61 -4.36 -1.24 -2.61 121.20 114.93 2d8h s ILE 65 Ca 0.21 -0.84 -0.29 0.00 -0.26 0.00 0.00 60.65 59.47 2d8h s ILE 65 Cb -0.00 -3.25 0.08 0.00 1.25 0.00 0.00 42.46 40.53 2d8h s ILE 65 CO -0.02 0.05 0.72 0.72 0.24 0.00 0.00 174.94 176.65 2d8h s PHE 66 N -1.51 -0.58 -0.03 1.37 -0.12 -0.21 -2.69 117.98 114.21 2d8h s PHE 66 Ca 0.30 0.85 -0.30 0.00 -0.05 0.00 0.00 56.93 57.74 2d8h s PHE 66 Cb -0.12 0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 2d8h s PHE 66 CO 0.23 -0.62 1.47 -1.25 -0.05 0.00 0.00 175.22 175.00 2d8h s PRO 67 N -1.80 4.24 0.65 1.99 0.04 -1.26 -0.54 135.00 138.32 2d8h s PRO 67 Ca -0.07 2.02 0.40 0.00 0.04 0.00 0.00 61.00 63.39 2d8h s PRO 67 Cb -0.00 -3.72 2.23 0.00 0.04 0.00 0.00 34.50 33.05 2d8h s PRO 67 CO 0.03 -0.68 2.30 0.00 0.04 0.00 0.00 177.00 178.69 2d8h h ALA 68 N 8.39 1.16 0.00 8.56 0.00 -1.66 -0.16 119.26 135.56 2d8h h ALA 68 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 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 0.93 -0.05 0.00 -0.97 0.00 0.00 0.00 179.25 179.16 2d8h h ASN 69 N 0.00 0.00 0.06 0.00 -1.24 -1.85 -0.52 115.58 112.03 2d8h h ASN 69 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2d8h h ASN 69 Cb 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2d8h h ASN 69 CO -0.00 0.00 -0.10 -1.22 -1.29 0.00 0.00 177.43 174.82 2d8h n TYR 70 N -2.47 0.00 -4.45 0.67 4.02 -0.07 -4.92 117.16 109.94 2d8h n TYR 70 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 2d8h n TYR 70 Cb 0.15 -0.04 -0.09 0.00 -0.02 0.00 0.00 39.34 39.35 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 -2.17 0.64 -0.06 -0.72 -7.23 -0.20 0.56 120.40 111.22 2d8h s VAL 71 Ca 0.32 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2d8h s VAL 71 Cb 0.20 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.69 2d8h s VAL 71 CO 0.40 0.00 0.13 0.28 -0.31 0.00 0.00 175.10 175.60 2d8h s THR 72 N -3.34 -0.05 -0.72 5.32 -1.32 -1.10 -4.79 115.64 109.64 2d8h s THR 72 Ca 0.30 0.17 -0.01 0.00 -1.21 0.00 0.00 61.69 60.94 2d8h s THR 72 Cb 0.04 -0.22 0.40 0.00 -1.51 0.00 0.00 72.50 71.22 2d8h s THR 72 CO 0.16 0.07 1.94 0.80 -2.21 0.00 0.00 174.62 175.38 2d8h n MET 73 N 4.12 2.80 -3.89 7.08 1.56 -1.26 -3.26 117.12 124.27 2d8h n MET 73 Ca -0.26 -3.50 -0.30 0.00 -0.27 0.00 0.00 57.70 53.37 2d8h n MET 73 Cb 0.52 -2.28 -0.04 0.00 2.15 0.00 0.00 33.22 33.57 2d8h n MET 73 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2d8h s ASN 74 N -1.67 6.37 0.02 6.12 4.22 -1.26 -5.12 114.94 123.62 2d8h s ASN 74 Ca 0.57 0.28 -0.01 0.00 -2.14 0.00 0.00 52.86 51.56 2d8h s ASN 74 Cb 0.47 -1.96 -0.02 0.00 1.28 0.00 0.00 41.25 41.02 2d8h s ASN 74 CO -0.20 0.12 -0.01 -0.44 -2.04 0.00 0.00 177.10 174.53 2d8h s SER 75 N -2.71 0.24 0.00 3.54 0.01 -1.26 -5.01 113.70 108.51 2d8h s SER 75 Ca 0.36 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2d8h s SER 75 Cb -0.12 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2d8h s SER 75 CO 0.28 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2d8h n GLY 76 N 1.41 1.66 3.73 3.44 0.00 -1.26 -5.14 105.19 109.03 2d8h n GLY 76 Ca -0.23 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 1.17 4.36 -0.36 1.61 0.04 -1.26 -4.84 135.00 135.72 2d8h s PRO 77 Ca 0.00 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 62.76 2d8h s PRO 77 Cb 0.00 -3.23 -0.14 0.00 0.04 0.00 0.00 34.50 31.17 2d8h s PRO 77 CO 0.00 -0.33 1.48 0.45 0.04 0.00 0.00 177.00 178.63 2d8h n SER 78 N 3.28 0.61 -3.91 6.66 2.88 -1.26 -4.90 113.62 116.98 2d8h n SER 78 Ca 0.09 0.57 -0.11 0.00 -1.33 0.00 0.00 58.87 58.08 2d8h n SER 78 Cb 0.43 -0.65 -0.12 0.00 -0.75 0.00 0.00 64.21 63.11 2d8h n SER 78 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8h s SER 79 N 3.92 0.08 0.00 -3.46 0.15 -1.26 -5.33 113.70 107.80 2d8h s SER 79 Ca 0.85 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2d8h s SER 79 Cb -1.09 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 2d8h s SER 79 CO 0.50 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.40