#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8h n SER 2 N 0.00 -3.88 -4.58 1.61 2.88 -1.26 -5.02 113.62 103.38 2d8h n SER 2 Ca 0.00 -0.32 -0.35 0.00 -1.33 0.00 0.00 58.87 56.87 2d8h n SER 2 Cb 0.00 -3.09 -0.11 0.00 -0.75 0.00 0.00 64.21 60.27 2d8h n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d8h s SER 3 N -3.33 5.44 0.00 -3.46 0.01 -1.26 -5.03 113.70 106.07 2d8h s SER 3 Ca 0.25 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2d8h s SER 3 Cb -0.11 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2d8h s SER 3 CO 0.41 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.80 2d8h n GLY 4 N 3.88 -0.77 3.23 3.44 0.00 -1.26 -5.06 105.19 108.65 2d8h n GLY 4 Ca -0.16 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 2d8h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8h s SER 5 N -0.93 5.81 0.00 1.61 1.04 -1.26 -4.91 113.70 115.06 2d8h s SER 5 Ca 0.00 -1.92 0.13 0.00 0.48 0.00 0.00 55.95 54.63 2d8h s SER 5 Cb 0.00 -2.05 0.62 0.00 0.10 0.00 0.00 66.02 64.69 2d8h s SER 5 CO 0.00 -0.72 1.32 -1.54 0.98 0.00 0.00 173.24 173.28 2d8h n SER 6 N 4.93 0.00 0.00 7.02 3.41 -1.26 -4.89 113.62 122.83 2d8h n SER 6 Ca -0.08 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2d8h n SER 6 Cb 0.41 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2d8h n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8h n GLY 7 N -0.22 3.76 3.80 5.00 0.00 -1.26 -5.18 105.19 111.09 2d8h n GLY 7 Ca 0.06 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 0.10 0.15 1.61 -0.00 -1.26 -5.19 115.29 108.70 2d8h s HIS 8 Ca 0.00 -0.74 -0.19 0.00 -0.00 0.00 0.00 55.06 54.14 2d8h s HIS 8 Cb 0.00 0.79 0.04 0.00 -0.00 0.00 0.00 32.58 33.42 2d8h s HIS 8 CO 0.00 -1.51 0.49 -1.21 -0.00 0.00 0.00 174.74 172.51 2d8h s GLU 9 N -2.56 1.20 -0.15 -0.38 2.02 -1.26 -5.16 118.70 112.42 2d8h s GLU 9 Ca 0.15 -0.67 -0.11 0.00 0.02 0.00 0.00 54.97 54.36 2d8h s GLU 9 Cb -0.05 0.52 -0.05 0.00 0.10 0.00 0.00 34.13 34.65 2d8h s GLU 9 CO 0.11 -0.50 0.22 0.50 0.02 0.00 0.00 175.26 175.61 2d8h s ARG 10 N -3.80 4.02 -0.14 1.61 6.06 -1.26 -5.08 118.95 120.36 2d8h s ARG 10 Ca 0.04 -0.02 0.02 0.00 -2.50 0.00 0.00 55.73 53.26 2d8h s ARG 10 Cb 0.00 -3.35 0.00 0.00 0.06 0.00 0.00 34.95 31.66 2d8h s ARG 10 CO -0.10 0.42 -0.19 0.08 -2.50 0.00 0.00 175.30 173.01 2d8h s VAL 11 N -0.04 2.37 0.00 7.11 1.01 -1.26 -5.04 120.40 124.55 2d8h s VAL 11 Ca 0.14 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2d8h s VAL 11 Cb -0.13 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2d8h s VAL 11 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2d8h n GLY 12 N 3.95 -0.07 3.62 4.51 0.00 -1.26 -5.04 105.19 110.89 2d8h n GLY 12 Ca -0.19 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 2d8h n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2d8h s ASN 13 N -1.89 4.51 -0.32 1.61 3.04 -1.26 -5.11 114.94 115.52 2d8h s ASN 13 Ca 0.00 -0.52 0.03 0.00 0.04 0.00 0.00 52.86 52.41 2d8h s ASN 13 Cb 0.00 -0.86 0.09 0.00 -1.54 0.00 0.00 41.25 38.95 2d8h s ASN 13 CO 0.00 0.08 0.03 -0.22 -3.04 0.00 0.00 177.10 173.95 2d8h s LEU 14 N -3.02 4.10 0.04 3.21 1.98 -1.26 -4.97 118.68 118.76 2d8h s LEU 14 Ca 0.27 -1.94 -0.16 0.00 -2.89 0.00 0.00 54.13 49.41 2d8h s LEU 14 Cb -0.09 -1.48 -0.28 0.00 0.66 0.00 0.00 46.19 45.01 2d8h s LEU 14 CO 0.17 -0.36 1.09 0.78 -1.89 0.00 0.00 176.35 176.15 2d8h h ASN 15 N 7.72 0.81 -5.00 3.68 4.21 -1.99 -3.47 115.58 121.55 2d8h h ASN 15 Ca -0.08 -0.82 -0.13 0.00 1.21 0.00 0.00 56.30 56.47 2d8h h ASN 15 Cb 1.02 -0.25 -0.20 0.00 -1.12 0.00 0.00 38.32 37.77 2d8h h ASN 15 CO 0.50 1.55 -0.44 -1.10 -1.29 0.00 0.00 177.43 176.64 2d8h s GLN 16 N -2.99 0.55 1.20 0.81 -0.21 -1.26 -5.17 119.66 112.59 2d8h s GLN 16 Ca -0.10 -0.41 -0.19 0.00 0.02 0.00 0.00 55.36 54.68 2d8h s GLN 16 Cb 0.05 0.23 0.29 0.00 1.00 0.00 0.00 33.01 34.57 2d8h s GLN 16 CO 0.91 -0.14 1.11 -1.25 -2.12 0.00 0.00 175.29 173.80 2d8h s PRO 17 N -1.57 -1.21 0.27 2.91 0.04 -1.26 -5.05 135.00 129.14 2d8h s PRO 17 Ca -0.13 -0.05 0.12 0.00 0.04 0.00 0.00 61.00 60.97 2d8h s PRO 17 Cb -0.06 -1.60 -0.05 0.00 0.04 0.00 0.00 34.50 32.83 2d8h s PRO 17 CO 0.01 -3.71 -0.18 0.42 0.04 0.00 0.00 177.00 173.58 2d8h s ILE 18 N -3.00 2.57 -0.17 0.56 1.01 0.18 -4.92 121.20 117.43 2d8h s ILE 18 Ca 0.71 -2.34 -0.01 0.00 0.00 0.00 0.00 60.65 59.01 2d8h s ILE 18 Cb -0.10 -2.34 -0.00 0.00 0.01 0.00 0.00 42.46 40.02 2d8h s ILE 18 CO 0.56 -0.38 -0.13 -1.61 0.00 0.00 0.00 174.94 173.38 2d8h s GLU 19 N -3.47 3.27 0.13 2.79 2.02 -1.26 0.12 118.70 122.29 2d8h s GLU 19 Ca 0.30 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.61 2d8h s GLU 19 Cb -0.05 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 2d8h s GLU 19 CO 0.15 -0.01 -0.11 0.14 0.02 0.00 0.00 175.26 175.45 2d8h s VAL 20 N 0.91 1.12 -0.21 2.63 -7.23 -1.20 -4.57 120.40 111.86 2d8h s VAL 20 Ca -0.03 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2d8h s VAL 20 Cb -0.15 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 2d8h s VAL 20 CO -0.01 -0.64 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.21 2d8h s THR 21 N -2.90 3.51 -0.39 5.32 2.01 -1.20 -1.69 115.64 120.30 2d8h s THR 21 Ca 0.12 -0.46 -0.27 0.00 0.31 0.00 0.00 61.69 61.39 2d8h s THR 21 Cb -0.00 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 2d8h s THR 21 CO 0.01 0.43 2.12 0.00 -0.69 0.00 0.00 174.62 176.49 2d8h s ALA 22 N 1.26 2.34 0.40 7.40 0.00 -0.94 -2.33 121.76 129.89 2d8h s ALA 22 Ca 0.03 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.27 2d8h s ALA 22 Cb -0.14 -4.18 0.82 0.00 0.00 0.00 0.00 23.12 19.61 2d8h s ALA 22 CO -0.01 -3.44 2.00 -0.07 0.00 0.00 0.00 175.76 174.24 2d8h h LEU 23 N 16.33 0.39 -8.16 0.00 3.38 0.88 1.01 115.31 129.15 2d8h h LEU 23 Ca -0.32 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.46 2d8h h LEU 23 Cb 1.22 -0.10 -0.17 0.00 0.09 0.00 0.00 40.66 41.69 2d8h h LEU 23 CO 1.08 0.37 -0.69 -0.31 0.09 0.00 0.00 178.44 178.98 2d8h s TYR 24 N -5.19 0.47 0.75 1.13 2.02 -1.12 -4.71 117.35 110.71 2d8h s TYR 24 Ca -0.07 -0.83 -0.12 0.00 -0.37 0.00 0.00 57.07 55.68 2d8h s TYR 24 Cb 0.17 -0.33 0.05 0.00 -0.40 0.00 0.00 41.96 41.44 2d8h s TYR 24 CO 0.73 -0.28 1.10 -1.12 -1.57 0.00 0.00 175.55 174.42 2d8h s SER 25 N -2.34 4.58 0.14 2.29 0.01 -1.26 -3.90 113.70 113.22 2d8h s SER 25 Ca -0.02 1.90 -0.13 0.00 1.31 0.00 0.00 55.95 59.01 2d8h s SER 25 Cb 0.00 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.72 2d8h s SER 25 CO -0.06 -1.99 0.36 0.12 0.41 0.00 0.00 173.24 172.09 2d8h s PHE 26 N -2.72 0.02 -0.24 2.43 5.36 -0.20 -4.85 117.98 117.78 2d8h s PHE 26 Ca 0.63 -0.38 -0.04 0.00 -0.96 0.00 0.00 56.93 56.19 2d8h s PHE 26 Cb -0.19 0.16 0.10 0.00 -0.34 0.00 0.00 43.02 42.75 2d8h s PHE 26 CO 0.52 -0.73 0.18 -1.21 -1.46 0.00 0.00 175.22 172.53 2d8h s GLU 27 N -3.87 0.19 -0.71 10.12 2.02 -1.26 -3.63 118.70 121.56 2d8h s GLU 27 Ca 0.08 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.65 2d8h s GLU 27 Cb 0.02 -1.23 -0.15 0.00 0.10 0.00 0.00 34.13 32.87 2d8h s GLU 27 CO -0.07 -0.83 2.51 0.41 0.02 0.00 0.00 175.26 177.30 2d8h n GLY 28 N 5.29 -0.11 0.25 -1.39 0.00 -1.19 -4.77 105.19 103.28 2d8h n GLY 28 Ca -0.05 0.94 -0.01 0.00 0.00 0.00 0.00 46.02 46.90 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 14.74 0.46 -6.49 1.61 4.20 -1.96 -3.44 115.11 124.22 2d8h h GLN 29 Ca -0.15 -0.13 -0.50 0.00 0.06 0.00 0.00 58.65 57.93 2d8h h GLN 29 Cb 1.30 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 2d8h h GLN 29 CO 1.25 0.58 -0.17 -0.65 -0.67 0.00 0.00 178.83 179.17 2d8h s GLN 30 N -4.73 3.56 0.00 1.46 -1.52 -1.26 -4.97 119.66 112.20 2d8h s GLN 30 Ca -0.07 -0.15 0.12 0.00 -1.95 0.00 0.00 55.36 53.31 2d8h s GLN 30 Cb 0.15 -2.66 0.69 0.00 -0.22 0.00 0.00 33.01 30.97 2d8h s GLN 30 CO 0.77 0.19 1.12 -0.35 -0.25 0.00 0.00 175.29 176.78 2d8h n PRO 31 N -1.27 0.49 -0.75 2.91 -0.04 -1.26 -2.46 135.00 132.62 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 0.55 -1.37 0.14 0.00 -0.04 0.00 0.00 33.50 32.77 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 3.75 1.97 0.55 0.00 -1.26 -5.06 105.19 105.11 2d8h n GLY 32 Ca 0.09 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.68 1.77 -4.37 1.61 9.92 -1.03 -3.43 116.55 120.35 2d8h n ASP 33 Ca 0.14 -1.94 -0.30 0.00 -0.53 0.00 0.00 54.79 52.16 2d8h n ASP 33 Cb 0.80 -0.05 -0.14 0.00 -0.64 0.00 0.00 41.12 41.09 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 2.25 -0.26 0.64 2.96 -1.05 -4.36 118.68 118.85 2d8h s LEU 34 Ca 0.18 -0.66 -0.06 0.00 -0.22 0.00 0.00 54.13 53.37 2d8h s LEU 34 Cb -0.01 -1.26 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 2d8h s LEU 34 CO 0.12 0.22 0.05 0.20 -1.32 0.00 0.00 176.35 175.62 2d8h s ASN 35 N -1.63 4.97 0.08 3.68 -0.87 -1.26 -3.14 114.94 116.78 2d8h s ASN 35 Ca 0.13 -0.43 -0.02 0.00 -1.57 0.00 0.00 52.86 50.97 2d8h s ASN 35 Cb -0.10 -1.87 -0.03 0.00 -0.02 0.00 0.00 41.25 39.22 2d8h s ASN 35 CO 0.04 -0.09 0.04 0.72 -2.57 0.00 0.00 177.10 175.24 2d8h s PHE 36 N 1.55 0.57 0.26 2.20 -0.71 -1.24 -4.96 117.98 115.65 2d8h s PHE 36 Ca 0.05 -1.05 0.09 0.00 -1.04 0.00 0.00 56.93 54.99 2d8h s PHE 36 Cb -0.16 -0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 41.24 2d8h s PHE 36 CO 0.02 -0.46 -0.15 -0.65 -1.34 0.00 0.00 175.22 172.65 2d8h s GLN 37 N -3.95 1.56 -0.46 1.99 1.11 -1.26 -1.03 119.66 117.61 2d8h s GLN 37 Ca 0.12 -1.73 -0.29 0.00 0.01 0.00 0.00 55.36 53.47 2d8h s GLN 37 Cb 0.07 -1.44 -0.09 0.00 -1.01 0.00 0.00 33.01 30.54 2d8h s GLN 37 CO -0.06 0.21 2.36 0.00 0.01 0.00 0.00 175.29 177.81 2d8h n ALA 38 N -0.55 1.02 0.00 6.09 0.00 -1.25 -0.96 120.51 124.86 2d8h n ALA 38 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2d8h n ALA 38 Cb 0.61 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 6.12 1.73 3.73 0.00 0.00 0.35 -4.91 105.19 112.21 2d8h n GLY 39 Ca 0.40 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 3.97 -4.72 1.61 9.92 -0.14 -4.39 116.55 122.81 2d8h n ASP 40 Ca 0.00 1.09 -0.41 0.00 -0.53 0.00 0.00 54.79 54.93 2d8h n ASP 40 Cb 0.00 -1.58 -0.04 0.00 -0.64 0.00 0.00 41.12 38.86 2d8h n ASP 40 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2d8h s ARG 41 N 0.70 4.52 -0.24 -1.24 3.00 -1.26 -2.21 118.95 122.23 2d8h s ARG 41 Ca 0.72 1.22 -0.04 0.00 0.00 0.00 0.00 55.73 57.63 2d8h s ARG 41 Cb -0.50 -3.44 -0.00 0.00 0.00 0.00 0.00 34.95 31.00 2d8h s ARG 41 CO 0.37 0.02 -0.02 0.42 0.00 0.00 0.00 175.30 176.09 2d8h s ILE 42 N 0.81 3.50 -0.67 1.52 1.01 -0.68 -4.78 121.20 121.91 2d8h s ILE 42 Ca 0.46 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 60.31 2d8h s ILE 42 Cb -0.20 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 2d8h s ILE 42 CO 0.25 0.35 1.76 -0.89 0.00 0.00 0.00 174.94 176.40 2d8h s THR 43 N 1.48 3.44 -0.28 2.92 2.01 0.46 -3.21 115.64 122.46 2d8h s THR 43 Ca 0.05 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 2d8h s THR 43 Cb -0.15 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 2d8h s THR 43 CO -0.02 -1.11 1.79 -0.69 -0.69 0.00 0.00 174.62 173.90 2d8h s VAL 44 N 8.49 3.48 -0.21 3.82 1.01 0.12 0.44 120.40 137.55 2d8h s VAL 44 Ca 0.61 0.50 0.02 0.00 0.00 0.00 0.00 61.98 63.11 2d8h s VAL 44 Cb -0.11 -3.59 -0.21 0.00 0.00 0.00 0.00 36.38 32.48 2d8h s VAL 44 CO 0.17 -0.34 0.00 2.30 0.00 0.00 0.00 175.10 177.23 2d8h n ILE 45 N 7.14 1.57 -3.51 2.22 -5.35 -0.44 -0.65 119.36 120.34 2d8h n ILE 45 Ca 0.22 -0.63 -0.23 0.00 -0.27 0.00 0.00 62.75 61.85 2d8h n ILE 45 Cb 0.46 -1.39 -0.14 0.00 -1.74 0.00 0.00 39.64 36.83 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 -6.54 2.21 0.48 7.28 0.15 -0.45 -4.88 113.70 111.96 2d8h s SER 46 Ca -0.28 -0.69 0.02 0.00 0.70 0.00 0.00 55.95 55.70 2d8h s SER 46 Cb 0.08 0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 2d8h s SER 46 CO 0.68 -0.37 0.02 -1.59 1.20 0.00 0.00 173.24 173.17 2d8h s LYS 47 N 2.23 2.13 0.37 5.44 -2.85 -1.26 -0.38 119.74 125.42 2d8h s LYS 47 Ca 0.07 -2.34 0.04 0.00 -1.00 0.00 0.00 55.97 52.74 2d8h s LYS 47 Cb -0.16 -1.42 -0.05 0.00 -2.06 0.00 0.00 37.83 34.14 2d8h s LYS 47 CO -0.22 -0.34 0.06 0.95 0.10 0.00 0.00 175.35 175.91 2d8h s THR 48 N -2.90 1.13 0.04 3.79 -4.23 -1.26 -5.00 115.64 107.20 2d8h s THR 48 Ca 0.12 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.30 2d8h s THR 48 Cb 0.03 -2.65 -0.18 0.00 1.34 0.00 0.00 72.50 71.04 2d8h s THR 48 CO 0.06 0.00 1.35 -0.78 -0.54 0.00 0.00 174.62 174.72 2d8h h ASP 49 N 1.92 -1.00 -3.62 3.99 1.82 -2.01 -3.43 116.42 114.09 2d8h h ASP 49 Ca -0.40 0.03 -0.56 0.00 -0.39 0.00 0.00 57.03 55.71 2d8h h ASP 49 Cb 1.26 0.26 0.13 0.00 0.68 0.00 0.00 39.33 41.66 2d8h h ASP 49 CO 0.68 -0.65 0.47 -1.20 -1.61 0.00 0.00 179.24 176.94 2d8h n SER 50 N -5.56 2.39 -0.04 2.28 7.64 -1.26 -4.97 113.62 114.11 2d8h n SER 50 Ca -0.15 1.06 -0.01 0.00 1.01 0.00 0.00 58.87 60.78 2d8h n SER 50 Cb 0.47 -1.50 -0.00 0.00 -1.01 0.00 0.00 64.21 62.16 2d8h n SER 50 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2d8h h HIS 51 N 1.83 0.00 -0.79 1.43 3.86 -1.98 -3.36 115.15 116.14 2d8h h HIS 51 Ca -0.48 0.00 0.33 0.00 -1.16 0.00 0.00 60.37 59.06 2d8h h HIS 51 Cb 1.30 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.63 2d8h h HIS 51 CO 0.46 0.00 0.43 1.19 0.86 0.00 0.00 177.93 180.87 2d8h n PHE 52 N -3.75 0.92 -0.74 2.45 3.72 -1.26 -3.91 117.46 114.88 2d8h n PHE 52 Ca -0.02 0.92 -0.32 0.00 -0.05 0.00 0.00 57.45 57.99 2d8h n PHE 52 Cb 0.06 -1.35 0.14 0.00 -0.94 0.00 0.00 39.48 37.40 2d8h n PHE 52 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2d8h n ASP 53 N -4.77 -1.51 -4.82 4.37 9.92 -1.26 -4.52 116.55 113.95 2d8h n ASP 53 Ca 0.30 0.29 -0.38 0.00 -0.53 0.00 0.00 54.79 54.47 2d8h n ASP 53 Cb 1.01 -1.25 -0.06 0.00 -0.64 0.00 0.00 41.12 40.18 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 -2.44 3.77 0.48 1.24 0.52 -1.26 -3.09 118.94 118.15 2d8h s TRP 54 Ca 0.60 1.13 0.06 0.00 0.02 0.00 0.00 56.10 57.90 2d8h s TRP 54 Cb -0.21 -2.39 -0.01 0.00 -1.15 0.00 0.00 33.47 29.71 2d8h s TRP 54 CO 0.65 0.61 0.27 -1.58 0.02 0.00 0.00 176.95 176.93 2d8h s TRP 55 N -1.07 2.14 -0.24 -1.98 0.51 0.66 -4.78 118.94 114.19 2d8h s TRP 55 Ca 0.26 -0.72 0.02 0.00 -2.12 0.00 0.00 56.10 53.55 2d8h s TRP 55 Cb -0.18 -1.93 0.05 0.00 -0.81 0.00 0.00 33.47 30.60 2d8h s TRP 55 CO 0.16 -0.11 -0.12 -2.00 -0.51 0.00 0.00 176.95 174.37 2d8h s GLU 56 N -4.08 2.32 0.40 4.98 2.12 0.49 -1.28 118.70 123.65 2d8h s GLU 56 Ca 0.35 -1.17 0.02 0.00 0.36 0.00 0.00 54.97 54.53 2d8h s GLU 56 Cb 0.00 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.63 2d8h s GLU 56 CO 0.20 -0.49 0.05 0.41 -0.54 0.00 0.00 175.26 174.90 2d8h n GLY 57 N 4.51 3.52 3.01 -1.50 0.00 -1.03 -1.33 105.19 112.38 2d8h n GLY 57 Ca -0.15 -2.24 -0.23 0.00 0.00 0.00 0.00 46.02 43.40 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 -3.48 1.38 -0.01 1.61 1.02 0.17 -2.73 119.74 117.70 2d8h s LYS 58 Ca 0.08 -0.37 -0.03 0.00 0.02 0.00 0.00 55.97 55.67 2d8h s LYS 58 Cb 0.00 -1.20 -0.00 0.00 -0.52 0.00 0.00 37.83 36.11 2d8h s LYS 58 CO 0.05 0.07 0.06 -1.17 -0.92 0.00 0.00 175.35 173.44 2d8h s LEU 59 N 0.48 1.83 -1.55 3.17 2.96 -0.82 -0.40 118.68 124.35 2d8h s LEU 59 Ca -0.10 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 2d8h s LEU 59 Cb -0.13 0.28 0.04 0.00 0.50 0.00 0.00 46.19 46.89 2d8h s LEU 59 CO 0.02 -0.16 0.32 0.54 -1.32 0.00 0.00 176.35 175.76 2d8h n ARG 60 N 2.39 -2.10 -3.39 1.98 1.74 -1.26 0.44 116.66 116.45 2d8h n ARG 60 Ca -0.17 0.25 -0.24 0.00 -0.77 0.00 0.00 57.85 56.92 2d8h n ARG 60 Cb 0.58 -4.25 0.06 0.00 -1.02 0.00 0.00 32.46 27.82 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 -2.06 -0.53 3.35 -0.13 0.00 -1.26 -4.99 105.19 99.57 2d8h n GLY 61 Ca -0.22 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -6.10 1.55 -0.04 1.61 -1.52 0.17 -5.17 119.66 110.16 2d8h s GLN 62 Ca 0.48 -1.87 -0.03 0.00 -1.95 0.00 0.00 55.36 51.99 2d8h s GLN 62 Cb -0.22 -0.26 0.01 0.00 -0.22 0.00 0.00 33.01 32.32 2d8h s GLN 62 CO 0.59 -0.37 0.10 0.99 -0.25 0.00 0.00 175.29 176.36 2d8h s THR 63 N -3.62 -0.00 -0.02 -0.19 2.01 -1.26 -1.94 115.64 110.61 2d8h s THR 63 Ca 0.36 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 2d8h s THR 63 Cb 0.06 -0.15 0.11 0.00 0.01 0.00 0.00 72.50 72.53 2d8h s THR 63 CO 0.15 0.01 1.30 -0.83 -0.69 0.00 0.00 174.62 174.56 2d8h s GLY 64 N 0.13 -0.23 0.18 4.40 0.00 -1.11 -4.68 107.32 106.01 2d8h s GLY 64 Ca -0.01 0.28 0.02 0.00 0.00 0.00 0.00 44.72 45.01 2d8h s GLY 64 CO -0.00 3.73 0.34 -0.26 0.00 0.00 0.00 173.10 176.91 2d8h s ILE 65 N -2.13 5.27 -0.12 0.90 -4.36 -1.22 -2.48 121.20 117.06 2d8h s ILE 65 Ca 0.24 -0.61 -0.30 0.00 -0.26 0.00 0.00 60.65 59.73 2d8h s ILE 65 Cb 0.02 -3.76 0.12 0.00 1.25 0.00 0.00 42.46 40.09 2d8h s ILE 65 CO -0.02 -0.17 0.96 0.72 0.24 0.00 0.00 174.94 176.67 2d8h s PHE 66 N -1.84 -0.38 -0.06 1.37 -0.71 -0.40 -2.54 117.98 113.43 2d8h s PHE 66 Ca 0.36 0.57 -0.30 0.00 -1.04 0.00 0.00 56.93 56.53 2d8h s PHE 66 Cb -0.11 0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 42.12 2d8h s PHE 66 CO 0.29 -0.39 1.50 -1.25 -1.34 0.00 0.00 175.22 174.02 2d8h s PRO 67 N -1.52 4.22 0.08 1.99 0.04 -1.26 -0.24 135.00 138.31 2d8h s PRO 67 Ca -0.01 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.12 2d8h s PRO 67 Cb -0.01 -3.82 0.39 0.00 0.04 0.00 0.00 34.50 31.11 2d8h s PRO 67 CO 0.00 -0.74 1.24 0.00 0.04 0.00 0.00 177.00 177.54 2d8h n ALA 68 N 6.51 1.14 0.23 8.56 0.00 -1.18 -1.32 120.51 134.45 2d8h n ALA 68 Ca 0.15 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.75 2d8h n ALA 68 Cb 0.43 -1.12 0.49 0.00 0.00 0.00 0.00 19.45 19.25 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 0.33 0.00 -0.73 -1.84 -2.49 115.58 110.85 2d8h h ASN 69 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2d8h h ASN 69 Cb 0.05 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.64 2d8h h ASN 69 CO 0.00 0.17 -0.20 -1.22 -0.37 0.00 0.00 177.43 175.81 2d8h n TYR 70 N -3.31 0.00 -4.55 0.67 4.02 -0.43 -4.89 117.16 108.67 2d8h n TYR 70 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 2d8h n TYR 70 Cb 0.41 -0.17 -0.11 0.00 -0.02 0.00 0.00 39.34 39.45 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 -2.54 1.62 0.11 -0.72 -7.23 -0.94 0.14 120.40 110.84 2d8h s VAL 71 Ca 0.25 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.48 2d8h s VAL 71 Cb 0.19 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2d8h s VAL 71 CO 0.51 0.00 -0.14 0.28 -0.31 0.00 0.00 175.10 175.45 2d8h s THR 72 N -2.98 1.27 -0.43 5.32 -1.32 -0.98 -4.79 115.64 111.72 2d8h s THR 72 Ca 0.35 -1.67 0.01 0.00 -1.21 0.00 0.00 61.69 59.17 2d8h s THR 72 Cb 0.09 -1.47 0.12 0.00 -1.51 0.00 0.00 72.50 69.72 2d8h s THR 72 CO 0.17 -0.42 0.19 -0.32 -2.21 0.00 0.00 174.62 172.03 2d8h s MET 73 N -2.61 1.88 -0.25 7.08 1.75 -1.26 -3.21 119.30 122.68 2d8h s MET 73 Ca 0.08 -2.08 -0.02 0.00 -1.25 0.00 0.00 55.69 52.42 2d8h s MET 73 Cb -0.05 -3.42 0.08 0.00 2.84 0.00 0.00 34.83 34.28 2d8h s MET 73 CO 0.03 -1.04 0.07 -0.80 -0.65 0.00 0.00 175.02 172.62 2d8h s ASN 74 N 0.97 3.41 -0.40 1.11 0.01 -1.26 -5.09 114.94 113.68 2d8h s ASN 74 Ca 0.12 -1.18 -0.04 0.00 -0.71 0.00 0.00 52.86 51.05 2d8h s ASN 74 Cb -0.22 -0.67 0.10 0.00 0.41 0.00 0.00 41.25 40.87 2d8h s ASN 74 CO -0.05 -0.36 0.19 -0.44 -1.51 0.00 0.00 177.10 174.93 2d8h s SER 75 N 1.80 5.30 -0.20 -1.22 0.01 -1.26 -5.01 113.70 113.12 2d8h s SER 75 Ca 0.04 -1.82 -0.32 0.00 1.31 0.00 0.00 55.95 55.16 2d8h s SER 75 Cb -0.17 -1.85 0.15 0.00 0.21 0.00 0.00 66.02 64.36 2d8h s SER 75 CO -0.18 -0.51 1.18 -0.83 0.41 0.00 0.00 173.24 173.31 2d8h s GLY 76 N 1.85 -0.19 0.31 3.44 0.00 -1.26 -5.01 107.32 106.46 2d8h s GLY 76 Ca 0.05 2.01 0.25 0.00 0.00 0.00 0.00 44.72 47.04 2d8h s GLY 76 CO -0.02 0.81 1.76 -0.56 0.00 0.00 0.00 173.10 175.08 2d8h h PRO 77 N 2.16 0.00 -6.20 2.90 0.13 -2.09 -3.43 132.00 125.46 2d8h h PRO 77 Ca -0.12 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.38 2d8h h PRO 77 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 2d8h h PRO 77 CO 0.25 0.00 -0.60 0.45 -0.23 0.00 0.00 178.00 177.87 2d8h s SER 78 N -4.50 5.47 -0.18 1.44 0.15 -1.26 -5.05 113.70 109.77 2d8h s SER 78 Ca 0.03 -0.05 -0.16 0.00 0.70 0.00 0.00 55.95 56.48 2d8h s SER 78 Cb 0.09 -1.44 -0.06 0.00 -1.71 0.00 0.00 66.02 62.90 2d8h s SER 78 CO 0.42 0.15 -0.29 -0.24 1.20 0.00 0.00 173.24 174.47 2d8h n SER 79 N 0.30 1.91 0.00 5.45 2.88 -1.26 -5.03 113.62 117.87 2d8h n SER 79 Ca -0.09 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2d8h n SER 79 Cb 0.52 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2d8h n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42