#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 7.32 -0.16 1.61 0.01 -1.26 -5.03 113.70 116.19 2d8h s SER 2 Ca 0.00 1.73 -0.05 0.00 1.31 0.00 0.00 55.95 58.93 2d8h s SER 2 Cb 0.00 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.74 2d8h s SER 2 CO 0.00 -0.29 0.33 -0.55 0.41 0.00 0.00 173.24 173.14 2d8h s SER 3 N 0.98 0.14 -0.21 2.44 0.15 -1.26 -5.14 113.70 110.80 2d8h s SER 3 Ca 0.53 0.71 -0.18 0.00 0.70 0.00 0.00 55.95 57.71 2d8h s SER 3 Cb -0.23 0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 65.02 2d8h s SER 3 CO 0.28 -0.24 0.49 -0.83 1.20 0.00 0.00 173.24 174.14 2d8h s GLY 4 N 2.50 2.03 -0.00 9.45 0.00 -1.26 -4.99 107.32 115.05 2d8h s GLY 4 Ca 0.01 -0.47 -0.19 0.00 0.00 0.00 0.00 44.72 44.07 2d8h s GLY 4 CO -0.11 1.06 0.90 1.76 0.00 0.00 0.00 173.10 176.71 2d8h h SER 5 N 7.56 -0.57 -4.91 1.64 0.02 -2.05 -3.47 113.55 111.78 2d8h h SER 5 Ca -0.33 0.02 -0.31 0.00 -0.84 0.00 0.00 61.79 60.33 2d8h h SER 5 Cb 1.15 0.15 0.12 0.00 0.14 0.00 0.00 62.40 63.96 2d8h h SER 5 CO 0.73 -0.26 -0.56 -0.24 -1.14 0.00 0.00 176.83 175.36 2d8h n SER 6 N -4.62 -4.82 -3.29 3.07 2.88 -1.26 -4.99 113.62 100.59 2d8h n SER 6 Ca -0.08 -0.45 -0.08 0.00 -1.33 0.00 0.00 58.87 56.93 2d8h n SER 6 Cb 0.26 -4.16 -0.05 0.00 -0.75 0.00 0.00 64.21 59.51 2d8h n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2d8h s GLY 7 N -3.43 -0.62 -0.21 0.46 0.00 -1.26 -5.12 107.32 97.13 2d8h s GLY 7 Ca 0.38 -0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.69 2d8h s GLY 7 CO 0.59 3.17 0.50 -2.38 0.00 0.00 0.00 173.10 174.98 2d8h s HIS 8 N 1.77 -0.82 -0.27 1.90 0.00 -1.26 -5.16 115.29 111.45 2d8h s HIS 8 Ca 0.15 1.64 -0.24 0.00 -3.00 0.00 0.00 55.06 53.61 2d8h s HIS 8 Cb -0.10 0.41 0.08 0.00 -4.00 0.00 0.00 32.58 28.97 2d8h s HIS 8 CO -0.09 -0.44 0.77 -1.83 -1.00 0.00 0.00 174.74 172.15 2d8h s GLU 9 N 1.82 0.77 -0.16 -0.38 4.04 -1.26 -5.15 118.70 118.38 2d8h s GLU 9 Ca -0.08 0.94 0.01 0.00 0.04 0.00 0.00 54.97 55.88 2d8h s GLU 9 Cb -0.09 0.36 0.02 0.00 0.02 0.00 0.00 34.13 34.45 2d8h s GLU 9 CO -0.15 -0.10 -0.17 1.03 -1.84 0.00 0.00 175.26 174.03 2d8h s ARG 10 N 0.44 2.64 0.06 -4.83 3.00 -1.26 -5.10 118.95 113.91 2d8h s ARG 10 Ca -0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 55.73 54.73 2d8h s ARG 10 Cb -0.05 -2.32 -0.08 0.00 0.00 0.00 0.00 34.95 32.50 2d8h s ARG 10 CO -0.02 -0.20 1.63 0.54 0.00 0.00 0.00 175.30 177.25 2d8h s VAL 11 N 1.33 3.11 0.00 3.52 0.11 -1.26 -4.70 120.40 122.51 2d8h s VAL 11 Ca 0.04 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 2d8h s VAL 11 Cb -0.13 -3.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.37 2d8h s VAL 11 CO -0.11 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.27 2d8h n GLY 12 N 3.96 4.09 3.27 6.54 0.00 -1.26 -4.56 105.19 117.24 2d8h n GLY 12 Ca 0.16 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 2d8h n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d8h s ASN 13 N -4.00 2.79 -0.39 1.61 2.20 -1.26 -5.04 114.94 110.85 2d8h s ASN 13 Ca 0.00 -0.43 0.05 0.00 -0.94 0.00 0.00 52.86 51.53 2d8h s ASN 13 Cb 0.00 -0.37 0.46 0.00 -2.00 0.00 0.00 41.25 39.34 2d8h s ASN 13 CO 0.00 0.28 1.41 -0.11 -2.94 0.00 0.00 177.10 175.74 2d8h n LEU 14 N 2.56 5.65 -0.26 3.54 0.00 -1.26 -4.83 117.00 122.39 2d8h n LEU 14 Ca -0.16 -4.64 0.25 0.00 0.00 0.00 0.00 56.01 51.46 2d8h n LEU 14 Cb 0.52 -0.51 0.47 0.00 0.00 0.00 0.00 43.42 43.90 2d8h n LEU 14 CO 0.23 1.95 0.84 0.59 0.00 0.00 0.00 177.39 181.00 2d8h n ASN 15 N -0.76 0.26 -3.53 1.96 4.13 -1.26 -4.51 115.26 111.56 2d8h n ASN 15 Ca 0.49 1.28 -0.14 0.00 1.68 0.00 0.00 54.58 57.89 2d8h n ASN 15 Cb 0.88 -0.62 -0.05 0.00 -1.54 0.00 0.00 39.78 38.45 2d8h n ASN 15 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2d8h s GLN 16 N -5.16 0.91 0.78 3.52 -0.21 -1.26 -5.18 119.66 113.05 2d8h s GLN 16 Ca -0.07 0.09 -0.13 0.00 0.02 0.00 0.00 55.36 55.27 2d8h s GLN 16 Cb 0.26 0.43 0.19 0.00 1.00 0.00 0.00 33.01 34.89 2d8h s GLN 16 CO 0.61 -0.31 0.69 -0.35 -2.12 0.00 0.00 175.29 173.81 2d8h n PRO 17 N 0.60 -2.36 -4.24 2.91 -0.04 -1.26 -5.05 135.00 125.55 2d8h n PRO 17 Ca -0.15 -1.10 -0.21 0.00 -0.04 0.00 0.00 63.50 62.00 2d8h n PRO 17 Cb 0.59 -1.03 -0.12 0.00 -0.04 0.00 0.00 33.50 32.89 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 -2.25 1.47 -0.20 0.52 1.01 -0.48 -4.93 121.20 116.34 2d8h s ILE 18 Ca 0.45 -1.52 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 2d8h s ILE 18 Cb -0.04 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 2d8h s ILE 18 CO 0.34 -0.19 0.01 -1.61 0.00 0.00 0.00 174.94 173.49 2d8h s GLU 19 N -2.04 3.64 0.10 2.79 2.02 -1.26 0.59 118.70 124.54 2d8h s GLU 19 Ca 0.05 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.58 2d8h s GLU 19 Cb -0.09 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 2d8h s GLU 19 CO 0.04 0.02 -0.12 0.14 0.02 0.00 0.00 175.26 175.35 2d8h s VAL 20 N 0.99 1.13 -0.23 2.63 -7.23 -1.17 -4.72 120.40 111.80 2d8h s VAL 20 Ca 0.02 -1.61 -0.06 0.00 -1.81 0.00 0.00 61.98 58.52 2d8h s VAL 20 Cb -0.14 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 2d8h s VAL 20 CO 0.02 -0.44 0.02 -0.89 -0.31 0.00 0.00 175.10 173.50 2d8h s THR 21 N -2.10 3.95 -0.36 5.32 2.01 -1.22 -1.57 115.64 121.68 2d8h s THR 21 Ca 0.05 -0.30 -0.27 0.00 0.31 0.00 0.00 61.69 61.48 2d8h s THR 21 Cb -0.05 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 2d8h s THR 21 CO 0.02 0.38 2.19 0.00 -0.69 0.00 0.00 174.62 176.52 2d8h s ALA 22 N 1.50 2.34 0.43 7.40 0.00 -0.90 -2.79 121.76 129.74 2d8h s ALA 22 Ca 0.06 0.34 0.11 0.00 0.00 0.00 0.00 51.96 52.46 2d8h s ALA 22 Cb -0.15 -4.18 0.93 0.00 0.00 0.00 0.00 23.12 19.73 2d8h s ALA 22 CO 0.01 -3.42 2.02 -0.07 0.00 0.00 0.00 175.76 174.30 2d8h h LEU 23 N 16.50 0.23 -8.75 0.00 3.38 0.11 0.75 115.31 127.53 2d8h h LEU 23 Ca -0.33 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.31 2d8h h LEU 23 Cb 1.23 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 2d8h h LEU 23 CO 1.06 0.27 -0.61 -0.31 0.09 0.00 0.00 178.44 178.94 2d8h s TYR 24 N -5.02 1.36 0.83 1.13 2.02 -1.12 -4.73 117.35 111.81 2d8h s TYR 24 Ca -0.06 -1.29 -0.12 0.00 -0.37 0.00 0.00 57.07 55.23 2d8h s TYR 24 Cb 0.16 -0.73 0.09 0.00 -0.40 0.00 0.00 41.96 41.08 2d8h s TYR 24 CO 0.72 -0.50 1.12 -1.54 -1.57 0.00 0.00 175.55 173.78 2d8h s SER 25 N -3.24 4.24 -0.23 2.29 1.04 -1.26 -3.46 113.70 113.07 2d8h s SER 25 Ca 0.38 1.10 -0.26 0.00 0.48 0.00 0.00 55.95 57.65 2d8h s SER 25 Cb 0.07 -1.75 0.10 0.00 0.10 0.00 0.00 66.02 64.53 2d8h s SER 25 CO 0.13 -2.11 0.86 0.12 0.98 0.00 0.00 173.24 173.22 2d8h s PHE 26 N -3.27 -0.61 -0.24 5.02 2.19 -0.60 -4.88 117.98 115.59 2d8h s PHE 26 Ca 0.62 1.39 -0.03 0.00 0.33 0.00 0.00 56.93 59.24 2d8h s PHE 26 Cb -0.14 0.34 0.08 0.00 -1.31 0.00 0.00 43.02 41.99 2d8h s PHE 26 CO 0.53 -0.35 0.07 -1.21 1.83 0.00 0.00 175.22 176.09 2d8h s GLU 27 N -0.06 0.55 -0.17 10.12 2.02 -1.26 -2.41 118.70 127.49 2d8h s GLU 27 Ca -0.01 -0.59 -0.29 0.00 0.02 0.00 0.00 54.97 54.11 2d8h s GLU 27 Cb -0.04 -1.90 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 2d8h s GLU 27 CO -0.00 -0.80 2.06 0.20 0.02 0.00 0.00 175.26 176.74 2d8h s GLY 28 N 1.85 0.83 0.49 -1.39 0.00 -1.21 -4.84 107.32 103.05 2d8h s GLY 28 Ca 0.04 0.84 0.15 0.00 0.00 0.00 0.00 44.72 45.75 2d8h s GLY 28 CO -0.17 3.60 2.09 1.46 0.00 0.00 0.00 173.10 180.08 2d8h h GLN 29 N 13.38 0.04 -6.20 2.90 4.20 -1.96 -3.43 115.11 124.03 2d8h h GLN 29 Ca -0.42 -0.00 -0.51 0.00 0.06 0.00 0.00 58.65 57.78 2d8h h GLN 29 Cb 1.22 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.95 2d8h h GLN 29 CO 0.97 0.09 -0.54 -0.65 -0.67 0.00 0.00 178.83 178.03 2d8h s GLN 30 N -4.95 2.88 0.44 1.46 -0.21 -1.26 -5.01 119.66 113.00 2d8h s GLN 30 Ca -0.05 -1.08 0.30 0.00 0.02 0.00 0.00 55.36 54.55 2d8h s GLN 30 Cb 0.17 -2.53 1.24 0.00 1.00 0.00 0.00 33.01 32.88 2d8h s GLN 30 CO 0.68 0.40 1.88 -1.00 -2.12 0.00 0.00 175.29 175.14 2d8h h PRO 31 N 1.53 0.00 0.00 2.91 0.13 -2.02 -2.68 132.00 131.88 2d8h h PRO 31 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2d8h h PRO 31 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2d8h h PRO 31 CO 0.61 0.00 -0.31 0.78 -0.23 0.00 0.00 178.00 178.85 2d8h h GLY 32 N 2.06 0.00 -0.62 1.56 0.00 -1.94 -3.46 103.07 100.66 2d8h h GLY 32 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2d8h h GLY 32 CO 0.00 0.00 0.27 1.22 0.00 0.00 0.00 176.54 178.03 2d8h n ASP 33 N -2.59 0.14 -4.31 0.19 8.00 -1.01 -3.53 116.55 113.45 2d8h n ASP 33 Ca 0.04 -1.37 -0.29 0.00 0.71 0.00 0.00 54.79 53.88 2d8h n ASP 33 Cb 0.49 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.76 2d8h n ASP 33 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2d8h s LEU 34 N 0.00 2.14 -0.22 0.64 2.96 -1.11 -4.29 118.68 118.81 2d8h s LEU 34 Ca 0.51 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2d8h s LEU 34 Cb -0.01 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.46 2d8h s LEU 34 CO 0.36 0.25 -0.04 0.20 -1.32 0.00 0.00 176.35 175.80 2d8h s ASN 35 N -1.08 4.37 0.27 3.68 0.01 -1.26 -3.36 114.94 117.57 2d8h s ASN 35 Ca 0.10 -0.37 0.03 0.00 -0.71 0.00 0.00 52.86 51.92 2d8h s ASN 35 Cb -0.10 -1.75 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 2d8h s ASN 35 CO 0.01 -0.01 0.20 0.72 -1.51 0.00 0.00 177.10 176.51 2d8h s PHE 36 N 1.40 1.49 0.19 2.20 -0.71 -1.01 -5.00 117.98 116.54 2d8h s PHE 36 Ca 0.05 -1.50 0.03 0.00 -1.04 0.00 0.00 56.93 54.47 2d8h s PHE 36 Cb -0.14 -0.68 -0.05 0.00 -1.21 0.00 0.00 43.02 40.94 2d8h s PHE 36 CO -0.02 -0.72 -0.03 -0.65 -1.34 0.00 0.00 175.22 172.46 2d8h s GLN 37 N -3.80 1.20 -0.47 1.99 1.11 -1.26 -1.55 119.66 116.87 2d8h s GLN 37 Ca 0.39 -1.58 -0.28 0.00 0.01 0.00 0.00 55.36 53.91 2d8h s GLN 37 Cb 0.05 -0.51 -0.09 0.00 -1.01 0.00 0.00 33.01 31.45 2d8h s GLN 37 CO 0.20 -0.07 2.39 0.00 0.01 0.00 0.00 175.29 177.82 2d8h n ALA 38 N -0.31 0.97 0.00 6.09 0.00 -1.22 -1.03 120.51 125.01 2d8h n ALA 38 Ca -0.07 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2d8h n ALA 38 Cb 0.63 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 17.08 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 6.07 1.62 3.68 0.00 0.00 0.26 -4.95 105.19 111.87 2d8h n GLY 39 Ca 0.39 -0.43 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 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 3.07 -4.72 1.61 8.00 -0.20 -4.37 116.55 119.94 2d8h n ASP 40 Ca 0.00 1.12 -0.40 0.00 0.71 0.00 0.00 54.79 56.21 2d8h n ASP 40 Cb 0.00 -1.45 -0.04 0.00 -0.02 0.00 0.00 41.12 39.60 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 0.17 4.47 -0.25 -1.24 3.00 -1.26 -2.11 118.95 121.73 2d8h s ARG 41 Ca 0.72 1.01 -0.04 0.00 0.00 0.00 0.00 55.73 57.43 2d8h s ARG 41 Cb -0.64 -3.43 0.01 0.00 0.00 0.00 0.00 34.95 30.89 2d8h s ARG 41 CO 0.44 0.08 -0.02 0.42 0.00 0.00 0.00 175.30 176.22 2d8h s ILE 42 N 0.68 3.28 -0.80 1.52 1.01 -0.61 -4.71 121.20 121.59 2d8h s ILE 42 Ca 0.40 -0.76 -0.25 0.00 0.00 0.00 0.00 60.65 60.04 2d8h s ILE 42 Cb -0.19 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.67 2d8h s ILE 42 CO 0.21 0.26 1.64 -0.89 0.00 0.00 0.00 174.94 176.16 2d8h s THR 43 N 1.42 3.59 -0.02 2.92 2.01 0.77 -3.05 115.64 123.27 2d8h s THR 43 Ca 0.03 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 2d8h s THR 43 Cb -0.16 -4.44 -0.08 0.00 0.01 0.00 0.00 72.50 67.83 2d8h s THR 43 CO -0.03 -1.38 1.99 -0.69 -0.69 0.00 0.00 174.62 173.82 2d8h s VAL 44 N 7.60 3.07 -0.19 3.82 1.01 0.20 -0.61 120.40 135.29 2d8h s VAL 44 Ca 0.55 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.65 2d8h s VAL 44 Cb -0.07 -3.06 -0.14 0.00 0.00 0.00 0.00 36.38 33.10 2d8h s VAL 44 CO 0.08 -0.01 -0.13 2.30 0.00 0.00 0.00 175.10 177.33 2d8h n ILE 45 N 5.98 1.14 -3.48 2.22 -5.35 -0.40 -1.38 119.36 118.09 2d8h n ILE 45 Ca 0.22 -0.49 -0.16 0.00 -0.27 0.00 0.00 62.75 62.05 2d8h n ILE 45 Cb 0.42 -1.09 -0.12 0.00 -1.74 0.00 0.00 39.64 37.11 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 -5.76 1.05 0.36 7.28 0.15 -0.58 -4.92 113.70 111.28 2d8h s SER 46 Ca -0.23 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.38 2d8h s SER 46 Cb 0.07 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.93 2d8h s SER 46 CO 0.50 -0.31 0.08 2.29 1.20 0.00 0.00 173.24 176.99 2d8h n LYS 47 N 5.33 0.78 -4.50 5.44 2.85 -1.26 -0.21 118.16 126.59 2d8h n LYS 47 Ca -0.05 -2.86 -0.29 0.00 -1.05 0.00 0.00 58.31 54.05 2d8h n LYS 47 Cb 0.50 1.26 -0.07 0.00 -0.65 0.00 0.00 35.03 36.07 2d8h n LYS 47 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2d8h n THR 48 N -0.84 0.00 -1.05 0.58 -2.24 -1.26 -4.85 114.28 104.62 2d8h n THR 48 Ca -0.09 -2.30 -0.19 0.00 -2.27 0.00 0.00 64.05 59.20 2d8h n THR 48 Cb 0.50 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 2d8h n THR 48 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2d8h n ASP 49 N -1.37 6.38 -3.64 3.42 -0.08 -1.26 -4.81 116.55 115.18 2d8h n ASP 49 Ca -0.16 -3.05 -0.11 0.00 -1.51 0.00 0.00 54.79 49.96 2d8h n ASP 49 Cb 0.61 -1.13 -0.07 0.00 2.34 0.00 0.00 41.12 42.87 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2d8h s SER 50 N 0.38 -0.81 -0.04 1.67 0.01 -1.26 -5.08 113.70 108.56 2d8h s SER 50 Ca 0.39 1.43 -0.07 0.00 1.31 0.00 0.00 55.95 59.01 2d8h s SER 50 Cb 0.28 1.37 -0.04 0.00 0.21 0.00 0.00 66.02 67.84 2d8h s SER 50 CO -0.06 -0.24 0.38 0.45 0.41 0.00 0.00 173.24 174.18 2d8h h HIS 51 N 6.01 -0.24 -0.93 2.43 3.86 -1.95 -3.30 115.15 121.04 2d8h h HIS 51 Ca -0.30 -0.01 0.38 0.00 -1.16 0.00 0.00 60.37 59.29 2d8h h HIS 51 Cb 1.19 0.08 -0.17 0.00 1.06 0.00 0.00 27.41 29.57 2d8h h HIS 51 CO 0.23 -0.15 0.46 0.34 0.86 0.00 0.00 177.93 179.68 2d8h n PHE 52 N -4.07 1.05 -0.53 2.45 7.35 -1.26 -3.31 117.46 119.14 2d8h n PHE 52 Ca -0.03 1.10 -0.29 0.00 -0.76 0.00 0.00 57.45 57.47 2d8h n PHE 52 Cb 0.10 -1.48 0.23 0.00 0.35 0.00 0.00 39.48 38.68 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 -5.13 -1.19 -4.81 -2.13 9.92 -1.24 -4.57 116.55 107.39 2d8h n ASP 53 Ca 0.34 -0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.23 2d8h n ASP 53 Cb 1.16 -1.32 -0.06 0.00 -0.64 0.00 0.00 41.12 40.26 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 -2.47 3.62 0.45 1.24 0.52 -1.26 -2.78 118.94 118.26 2d8h s TRP 54 Ca 0.68 0.77 0.07 0.00 0.02 0.00 0.00 56.10 57.63 2d8h s TRP 54 Cb -0.25 -2.23 -0.02 0.00 -1.15 0.00 0.00 33.47 29.82 2d8h s TRP 54 CO 0.63 0.54 0.28 -1.58 0.02 0.00 0.00 176.95 176.84 2d8h s TRP 55 N -0.57 2.37 -0.24 -1.98 0.51 0.96 -4.75 118.94 115.23 2d8h s TRP 55 Ca 0.20 -0.64 0.01 0.00 -2.12 0.00 0.00 56.10 53.55 2d8h s TRP 55 Cb -0.14 -1.99 0.04 0.00 -0.81 0.00 0.00 33.47 30.57 2d8h s TRP 55 CO 0.08 -0.05 -0.12 -2.00 -0.51 0.00 0.00 176.95 174.35 2d8h s GLU 56 N -4.05 2.54 0.37 4.98 2.12 0.71 -0.92 118.70 124.44 2d8h s GLU 56 Ca 0.40 -1.15 0.02 0.00 0.36 0.00 0.00 54.97 54.59 2d8h s GLU 56 Cb 0.00 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 31.54 2d8h s GLU 56 CO 0.23 -0.46 0.06 0.41 -0.54 0.00 0.00 175.26 174.96 2d8h n GLY 57 N 4.53 3.54 3.11 -1.50 0.00 -1.04 -1.28 105.19 112.56 2d8h n GLY 57 Ca -0.16 -2.20 -0.23 0.00 0.00 0.00 0.00 46.02 43.43 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 -3.36 1.20 -0.04 1.61 1.02 0.22 -2.91 119.74 117.48 2d8h s LYS 58 Ca 0.09 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.55 2d8h s LYS 58 Cb 0.00 -1.15 0.03 0.00 -0.52 0.00 0.00 37.83 36.20 2d8h s LYS 58 CO 0.06 0.30 0.08 -1.17 -0.92 0.00 0.00 175.35 173.71 2d8h s LEU 59 N -0.30 0.87 -0.84 3.17 2.96 0.41 -0.16 118.68 124.78 2d8h s LEU 59 Ca 0.05 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 2d8h s LEU 59 Cb -0.06 0.12 0.04 0.00 0.50 0.00 0.00 46.19 46.79 2d8h s LEU 59 CO -0.00 -0.14 0.18 0.54 -1.32 0.00 0.00 176.35 175.60 2d8h n ARG 60 N 4.26 -2.68 0.00 1.98 1.74 -1.26 0.13 116.66 120.82 2d8h n ARG 60 Ca -0.26 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2d8h n ARG 60 Cb 0.51 -4.93 0.00 0.00 -1.02 0.00 0.00 32.46 27.02 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 -0.83 2.93 3.76 -0.13 0.00 -1.26 -5.03 105.19 104.63 2d8h n GLY 61 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 2.52 0.01 1.61 1.11 0.34 -5.05 119.66 120.09 2d8h s GLN 62 Ca 0.00 1.33 0.01 0.00 0.01 0.00 0.00 55.36 56.71 2d8h s GLN 62 Cb 0.00 -1.92 -0.01 0.00 -1.01 0.00 0.00 33.01 30.07 2d8h s GLN 62 CO 0.00 -1.46 -0.03 0.99 0.01 0.00 0.00 175.29 174.80 2d8h s THR 63 N -2.54 0.17 -0.36 -0.19 2.01 -1.26 -0.45 115.64 113.03 2d8h s THR 63 Ca 0.65 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2d8h s THR 63 Cb -0.20 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.10 2d8h s THR 63 CO 0.47 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 2d8h n GLY 64 N 2.47 -1.23 3.95 4.40 0.00 -1.14 -4.60 105.19 109.04 2d8h n GLY 64 Ca -0.17 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.30 5.28 -0.13 -0.61 -4.36 -1.23 -2.49 121.20 115.35 2d8h s ILE 65 Ca 0.00 -0.70 -0.30 0.00 -0.26 0.00 0.00 60.65 59.39 2d8h s ILE 65 Cb 0.00 -3.78 0.12 0.00 1.25 0.00 0.00 42.46 40.05 2d8h s ILE 65 CO 0.00 -0.19 0.95 0.72 0.24 0.00 0.00 174.94 176.65 2d8h s PHE 66 N -1.86 -0.40 -0.04 1.37 -0.12 -0.09 -2.74 117.98 114.11 2d8h s PHE 66 Ca 0.35 0.62 -0.30 0.00 -0.05 0.00 0.00 56.93 57.55 2d8h s PHE 66 Cb -0.10 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 2d8h s PHE 66 CO 0.29 -0.40 1.48 -1.25 -0.05 0.00 0.00 175.22 175.29 2d8h s PRO 67 N -1.42 4.23 0.08 1.99 0.04 -1.26 -0.03 135.00 138.63 2d8h s PRO 67 Ca -0.02 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.14 2d8h s PRO 67 Cb -0.00 -3.74 0.47 0.00 0.04 0.00 0.00 34.50 31.26 2d8h s PRO 67 CO 0.01 -0.70 1.32 0.00 0.04 0.00 0.00 177.00 177.67 2d8h n ALA 68 N 6.17 1.27 0.49 8.56 0.00 -1.12 -1.40 120.51 134.48 2d8h n ALA 68 Ca 0.15 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.74 2d8h n ALA 68 Cb 0.43 -1.16 0.45 0.00 0.00 0.00 0.00 19.45 19.17 2d8h n ALA 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2d8h h ASN 69 N 0.00 0.00 0.53 0.00 -1.24 -1.82 -2.77 115.58 110.28 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 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 2d8h h ASN 69 CO 0.00 0.00 -0.48 -1.22 -1.29 0.00 0.00 177.43 174.44 2d8h n TYR 70 N -2.34 0.00 -4.65 0.67 4.02 -0.49 -4.92 117.16 109.45 2d8h n TYR 70 Ca 0.04 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.64 2d8h n TYR 70 Cb 0.34 -0.27 -0.10 0.00 -0.02 0.00 0.00 39.34 39.30 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 -3.00 1.53 0.16 -0.72 -7.23 -1.04 0.83 120.40 110.92 2d8h s VAL 71 Ca 0.11 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.28 2d8h s VAL 71 Cb 0.18 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2d8h s VAL 71 CO 0.69 0.00 0.05 0.28 -0.31 0.00 0.00 175.10 175.81 2d8h s THR 72 N -2.86 0.28 -0.64 5.32 -1.32 -1.12 -4.81 115.64 110.49 2d8h s THR 72 Ca 0.24 -1.94 0.04 0.00 -1.21 0.00 0.00 61.69 58.81 2d8h s THR 72 Cb 0.06 -2.14 0.16 0.00 -1.51 0.00 0.00 72.50 69.07 2d8h s THR 72 CO 0.12 -0.40 0.42 -0.04 -2.21 0.00 0.00 174.62 172.51 2d8h s MET 73 N -4.02 2.35 -0.21 7.08 -1.94 -1.26 -3.40 119.30 117.89 2d8h s MET 73 Ca 0.26 -3.03 -0.19 0.00 -1.71 0.00 0.00 55.69 51.03 2d8h s MET 73 Cb 0.07 -3.44 -0.16 0.00 2.01 0.00 0.00 34.83 33.31 2d8h s MET 73 CO 0.04 -1.21 0.05 -1.71 -0.01 0.00 0.00 175.02 172.17 2d8h n ASN 74 N 2.51 1.88 -4.59 3.03 5.15 -1.26 -4.83 115.26 117.14 2d8h n ASN 74 Ca 0.14 0.43 -0.43 0.00 -0.60 0.00 0.00 54.58 54.11 2d8h n ASN 74 Cb 0.34 -0.92 -0.03 0.00 -0.53 0.00 0.00 39.78 38.64 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 -6.84 6.63 0.00 1.20 0.01 -1.26 -4.79 113.70 108.65 2d8h s SER 75 Ca -0.29 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2d8h s SER 75 Cb 0.07 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2d8h s SER 75 CO 0.53 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.74 2d8h n GLY 76 N 4.65 -0.59 0.00 3.44 0.00 -1.26 -4.81 105.19 106.61 2d8h n GLY 76 Ca 0.09 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.33 -3.48 1.61 -0.04 -1.26 -4.43 135.00 127.73 2d8h n PRO 77 Ca 0.00 0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 2d8h n PRO 77 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.33 5.87 -0.29 3.54 0.15 -1.26 -5.05 113.70 114.32 2d8h s SER 78 Ca 0.18 -1.92 -0.15 0.00 0.70 0.00 0.00 55.95 54.76 2d8h s SER 78 Cb 0.10 -2.07 -0.03 0.00 -1.71 0.00 0.00 66.02 62.31 2d8h s SER 78 CO 0.21 -0.74 0.37 -0.55 1.20 0.00 0.00 173.24 173.73 2d8h s SER 79 N 2.90 6.22 0.00 5.45 0.15 -1.26 -4.87 113.70 122.30 2d8h s SER 79 Ca 0.05 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2d8h s SER 79 Cb -0.27 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2d8h s SER 79 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81