#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 3.82 -4.64 1.61 3.41 -1.26 -4.95 113.62 111.61 2d8h n SER 2 Ca 0.00 1.17 -0.40 0.00 -0.26 0.00 0.00 58.87 59.38 2d8h n SER 2 Cb 0.00 -1.60 -0.06 0.00 -0.26 0.00 0.00 64.21 62.29 2d8h n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d8h s SER 3 N 0.29 6.62 0.00 4.04 1.04 -1.26 -5.02 113.70 119.41 2d8h s SER 3 Ca 0.61 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.80 2d8h s SER 3 Cb -0.49 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.28 2d8h s SER 3 CO 0.53 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2d8h n GLY 4 N 4.02 0.49 2.90 7.32 0.00 -1.26 -5.09 105.19 113.57 2d8h n GLY 4 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.00 1.54 0.34 1.61 1.04 -1.26 -5.13 113.70 110.84 2d8h s SER 5 Ca 0.00 -0.20 -0.27 0.00 0.48 0.00 0.00 55.95 55.97 2d8h s SER 5 Cb 0.00 -0.62 -0.09 0.00 0.10 0.00 0.00 66.02 65.41 2d8h s SER 5 CO 0.00 -0.08 1.09 -0.55 0.98 0.00 0.00 173.24 174.68 2d8h s SER 6 N 1.25 6.95 0.00 7.02 0.15 -1.26 -4.98 113.70 122.83 2d8h s SER 6 Ca -0.05 2.19 0.00 0.00 0.70 0.00 0.00 55.95 58.79 2d8h s SER 6 Cb -0.14 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 2d8h s SER 6 CO -0.02 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2d8h n GLY 7 N 0.77 3.94 0.24 9.45 0.00 -1.26 -5.07 105.19 113.26 2d8h n GLY 7 Ca 0.02 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2d8h n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2d8h n HIS 8 N -1.52 0.00 -3.11 1.61 -0.00 -1.26 -5.03 115.22 105.90 2d8h n HIS 8 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2d8h n HIS 8 Cb 0.00 -0.51 0.05 0.00 -0.00 0.00 0.00 29.99 29.54 2d8h n HIS 8 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2d8h n GLU 9 N -4.27 -4.80 -4.31 -0.41 4.07 -1.26 -5.03 120.64 104.63 2d8h n GLU 9 Ca -0.18 0.52 -0.18 0.00 -0.06 0.00 0.00 57.16 57.26 2d8h n GLU 9 Cb 0.52 -4.63 -0.15 0.00 -0.06 0.00 0.00 31.44 27.12 2d8h n GLU 9 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2d8h s ARG 10 N -5.57 0.71 0.06 5.31 1.81 -1.26 -5.15 118.95 114.86 2d8h s ARG 10 Ca 0.27 -0.27 0.03 0.00 -1.72 0.00 0.00 55.73 54.04 2d8h s ARG 10 Cb -0.12 -0.68 -0.04 0.00 -0.45 0.00 0.00 34.95 33.66 2d8h s ARG 10 CO 0.46 0.14 0.05 0.54 -0.68 0.00 0.00 175.30 175.81 2d8h s VAL 11 N -0.02 4.41 -0.13 3.52 0.11 -1.26 -5.12 120.40 121.91 2d8h s VAL 11 Ca 0.01 -0.75 -0.14 0.00 -2.93 0.00 0.00 61.98 58.17 2d8h s VAL 11 Cb -0.05 -3.09 0.04 0.00 -1.53 0.00 0.00 36.38 31.75 2d8h s VAL 11 CO -0.00 0.18 0.39 -0.83 -3.33 0.00 0.00 175.10 171.51 2d8h s GLY 12 N -2.20 -0.28 -0.14 6.54 0.00 -1.26 -5.04 107.32 104.94 2d8h s GLY 12 Ca 0.27 1.03 -0.04 0.00 0.00 0.00 0.00 44.72 45.98 2d8h s GLY 12 CO 0.19 0.87 2.92 0.70 0.00 0.00 0.00 173.10 177.78 2d8h n ASN 13 N 2.70 5.69 -1.35 1.64 5.03 -1.26 -4.52 115.26 123.20 2d8h n ASN 13 Ca -0.14 -2.70 -0.07 0.00 0.87 0.00 0.00 54.58 52.54 2d8h n ASN 13 Cb 0.57 -1.28 0.06 0.00 -1.02 0.00 0.00 39.78 38.11 2d8h n ASN 13 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2d8h n LEU 14 N 1.67 4.04 -0.30 3.41 0.00 -1.26 -4.57 117.00 119.99 2d8h n LEU 14 Ca 0.34 -2.09 0.27 0.00 0.00 0.00 0.00 56.01 54.54 2d8h n LEU 14 Cb 0.71 -0.60 0.48 0.00 0.00 0.00 0.00 43.42 44.01 2d8h n LEU 14 CO 0.18 0.65 0.86 0.59 0.00 0.00 0.00 177.39 179.66 2d8h n ASN 15 N 0.01 0.20 -3.57 1.96 3.02 -1.26 -4.44 115.26 111.18 2d8h n ASN 15 Ca 0.18 1.12 -0.14 0.00 -0.03 0.00 0.00 54.58 55.71 2d8h n ASN 15 Cb 0.84 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 2d8h n ASN 15 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2d8h s GLN 16 N -4.96 0.81 0.88 3.52 -0.21 -1.26 -5.18 119.66 113.26 2d8h s GLN 16 Ca -0.06 0.35 -0.15 0.00 0.02 0.00 0.00 55.36 55.53 2d8h s GLN 16 Cb 0.24 0.39 0.22 0.00 1.00 0.00 0.00 33.01 34.85 2d8h s GLN 16 CO 0.60 -0.22 0.78 -0.35 -2.12 0.00 0.00 175.29 173.98 2d8h n PRO 17 N 1.23 -2.55 -4.41 2.91 -0.04 -1.26 -5.04 135.00 125.83 2d8h n PRO 17 Ca -0.15 -1.25 -0.23 0.00 -0.04 0.00 0.00 63.50 61.84 2d8h n PRO 17 Cb 0.57 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.75 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 -2.42 2.19 -0.21 0.52 1.01 0.86 -4.91 121.20 118.24 2d8h s ILE 18 Ca 0.51 -2.24 -0.05 0.00 0.00 0.00 0.00 60.65 58.88 2d8h s ILE 18 Cb -0.05 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 2d8h s ILE 18 CO 0.39 -0.39 -0.01 -1.61 0.00 0.00 0.00 174.94 173.32 2d8h s GLU 19 N -3.31 3.51 0.05 2.79 2.02 -1.26 0.13 118.70 122.63 2d8h s GLU 19 Ca 0.25 -0.57 0.05 0.00 0.02 0.00 0.00 54.97 54.72 2d8h s GLU 19 Cb -0.05 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 2d8h s GLU 19 CO 0.11 -0.10 -0.15 0.14 0.02 0.00 0.00 175.26 175.28 2d8h s VAL 20 N 1.27 1.17 -0.21 2.63 -7.23 -0.96 -4.66 120.40 112.40 2d8h s VAL 20 Ca 0.04 -1.11 -0.09 0.00 -1.81 0.00 0.00 61.98 59.00 2d8h s VAL 20 Cb -0.15 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 2d8h s VAL 20 CO 0.00 -0.05 0.11 -0.89 -0.31 0.00 0.00 175.10 173.96 2d8h s THR 21 N -0.97 5.02 -0.28 5.32 2.01 -0.88 -0.75 115.64 125.11 2d8h s THR 21 Ca 0.01 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.78 2d8h s THR 21 Cb -0.09 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 2d8h s THR 21 CO 0.02 0.40 1.68 0.00 -0.69 0.00 0.00 174.62 176.03 2d8h s ALA 22 N 0.77 3.09 0.23 7.40 0.00 -0.95 -0.51 121.76 131.79 2d8h s ALA 22 Ca 0.06 0.35 0.23 0.00 0.00 0.00 0.00 51.96 52.59 2d8h s ALA 22 Cb -0.13 -3.93 0.98 0.00 0.00 0.00 0.00 23.12 20.04 2d8h s ALA 22 CO 0.02 -2.26 1.86 -0.07 0.00 0.00 0.00 175.76 175.31 2d8h h LEU 23 N 12.54 0.00 -8.04 0.00 3.38 -1.54 1.28 115.31 122.93 2d8h h LEU 23 Ca -0.33 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 2d8h h LEU 23 Cb 1.16 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 2d8h h LEU 23 CO 1.02 0.25 -0.50 -0.31 0.09 0.00 0.00 178.44 178.98 2d8h s TYR 24 N -3.81 0.37 0.74 1.13 2.02 -1.24 -4.74 117.35 111.82 2d8h s TYR 24 Ca -0.01 -0.83 -0.11 0.00 -0.37 0.00 0.00 57.07 55.75 2d8h s TYR 24 Cb 0.11 -0.22 0.04 0.00 -0.40 0.00 0.00 41.96 41.49 2d8h s TYR 24 CO 0.64 -0.50 1.08 -1.12 -1.57 0.00 0.00 175.55 174.08 2d8h s SER 25 N -2.91 4.89 0.14 2.29 0.01 -1.26 -3.51 113.70 113.36 2d8h s SER 25 Ca 0.08 1.71 -0.17 0.00 1.31 0.00 0.00 55.95 58.89 2d8h s SER 25 Cb 0.06 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.83 2d8h s SER 25 CO -0.09 -1.77 0.43 0.12 0.41 0.00 0.00 173.24 172.35 2d8h s PHE 26 N -2.98 -0.20 -0.22 2.43 5.36 -0.42 -4.82 117.98 117.13 2d8h s PHE 26 Ca 0.60 -0.12 -0.04 0.00 -0.96 0.00 0.00 56.93 56.41 2d8h s PHE 26 Cb -0.16 0.30 0.10 0.00 -0.34 0.00 0.00 43.02 42.92 2d8h s PHE 26 CO 0.56 -0.75 0.20 -1.21 -1.46 0.00 0.00 175.22 172.56 2d8h s GLU 27 N -3.82 0.19 -0.69 10.12 2.02 -1.26 -3.14 118.70 122.12 2d8h s GLU 27 Ca 0.04 0.02 -0.31 0.00 0.02 0.00 0.00 54.97 54.75 2d8h s GLU 27 Cb 0.01 -1.20 -0.15 0.00 0.10 0.00 0.00 34.13 32.89 2d8h s GLU 27 CO -0.10 -0.76 2.49 0.41 0.02 0.00 0.00 175.26 177.32 2d8h n GLY 28 N 5.30 -0.08 0.25 -1.39 0.00 -1.16 -4.77 105.19 103.34 2d8h n GLY 28 Ca -0.05 0.95 -0.03 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 14.56 0.55 -6.67 1.61 1.08 -1.95 -3.44 115.11 120.85 2d8h h GLN 29 Ca -0.15 -0.18 -0.50 0.00 -1.45 0.00 0.00 58.65 56.37 2d8h h GLN 29 Cb 1.30 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.69 2d8h h GLN 29 CO 1.24 0.69 -0.04 -0.65 -0.95 0.00 0.00 178.83 179.12 2d8h s GLN 30 N -4.68 3.62 0.00 1.46 -1.52 -1.26 -4.96 119.66 112.33 2d8h s GLN 30 Ca -0.07 0.10 0.11 0.00 -1.95 0.00 0.00 55.36 53.55 2d8h s GLN 30 Cb 0.14 -2.53 0.65 0.00 -0.22 0.00 0.00 33.01 31.05 2d8h s GLN 30 CO 0.79 0.06 1.09 -0.35 -0.25 0.00 0.00 175.29 176.62 2d8h n PRO 31 N -1.43 0.49 -0.85 2.91 -0.04 -1.26 -2.44 135.00 132.39 2d8h n PRO 31 Ca -0.01 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 2d8h n PRO 31 Cb 0.54 -1.35 0.10 0.00 -0.04 0.00 0.00 33.50 32.76 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 2.93 2.03 0.55 0.00 -1.26 -5.07 105.19 104.36 2d8h n GLY 32 Ca 0.08 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.41 1.68 -4.32 1.61 9.92 -1.02 -3.83 116.55 120.17 2d8h n ASP 33 Ca 0.11 -1.95 -0.30 0.00 -0.53 0.00 0.00 54.79 52.12 2d8h n ASP 33 Cb 0.85 -0.08 -0.15 0.00 -0.64 0.00 0.00 41.12 41.10 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 2.11 -0.20 0.64 2.96 -1.16 -4.39 118.68 118.64 2d8h s LEU 34 Ca 0.21 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.55 2d8h s LEU 34 Cb -0.02 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 2d8h s LEU 34 CO 0.14 0.28 -0.01 0.20 -1.32 0.00 0.00 176.35 175.64 2d8h s ASN 35 N -0.94 4.77 0.25 3.68 0.01 -1.26 -3.01 114.94 118.44 2d8h s ASN 35 Ca 0.11 -0.21 -0.02 0.00 -0.71 0.00 0.00 52.86 52.02 2d8h s ASN 35 Cb -0.10 -1.81 -0.03 0.00 0.41 0.00 0.00 41.25 39.72 2d8h s ASN 35 CO 0.01 0.07 0.27 0.72 -1.51 0.00 0.00 177.10 176.65 2d8h s PHE 36 N 0.98 1.10 0.11 2.20 -0.71 -1.19 -5.00 117.98 115.48 2d8h s PHE 36 Ca 0.01 -1.30 0.06 0.00 -1.04 0.00 0.00 56.93 54.67 2d8h s PHE 36 Cb -0.14 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.25 2d8h s PHE 36 CO 0.02 -0.81 -0.14 -0.65 -1.34 0.00 0.00 175.22 172.29 2d8h s GLN 37 N -3.86 0.97 -0.65 1.99 1.11 -1.26 -1.30 119.66 116.66 2d8h s GLN 37 Ca 0.35 -1.16 -0.32 0.00 0.01 0.00 0.00 55.36 54.24 2d8h s GLN 37 Cb 0.04 -0.91 -0.15 0.00 -1.01 0.00 0.00 33.01 30.98 2d8h s GLN 37 CO 0.15 0.18 2.44 0.00 0.01 0.00 0.00 175.29 178.07 2d8h n ALA 38 N 0.75 0.61 0.00 6.09 0.00 -1.23 -0.12 120.51 126.62 2d8h n ALA 38 Ca -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2d8h n ALA 38 Cb 0.56 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 6.50 2.27 3.68 0.00 0.00 0.44 -4.90 105.19 113.18 2d8h n GLY 39 Ca 0.51 -0.62 -0.45 0.00 0.00 0.00 0.00 46.02 45.46 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 3.30 -4.72 1.61 8.00 0.83 -4.32 116.55 121.25 2d8h n ASP 40 Ca 0.00 1.08 -0.41 0.00 0.71 0.00 0.00 54.79 56.17 2d8h n ASP 40 Cb 0.00 -1.46 -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 0.89 4.50 -0.16 -1.24 3.00 -1.26 -2.24 118.95 122.44 2d8h s ARG 41 Ca 0.77 1.13 -0.02 0.00 0.00 0.00 0.00 55.73 57.62 2d8h s ARG 41 Cb -0.64 -3.45 -0.01 0.00 0.00 0.00 0.00 34.95 30.86 2d8h s ARG 41 CO 0.37 0.03 -0.10 0.42 0.00 0.00 0.00 175.30 176.03 2d8h s ILE 42 N 0.82 3.20 -0.91 1.52 1.01 0.07 -4.78 121.20 122.13 2d8h s ILE 42 Ca 0.44 -0.59 -0.25 0.00 0.00 0.00 0.00 60.65 60.25 2d8h s ILE 42 Cb -0.19 -2.38 0.04 0.00 0.01 0.00 0.00 42.46 39.93 2d8h s ILE 42 CO 0.23 0.49 1.39 -0.89 0.00 0.00 0.00 174.94 176.16 2d8h s THR 43 N 0.71 3.83 -0.25 2.92 2.01 0.85 -2.26 115.64 123.46 2d8h s THR 43 Ca -0.05 -0.29 -0.28 0.00 0.31 0.00 0.00 61.69 61.39 2d8h s THR 43 Cb -0.15 -4.99 -0.05 0.00 0.01 0.00 0.00 72.50 67.32 2d8h s THR 43 CO 0.02 -1.89 2.24 -0.69 -0.69 0.00 0.00 174.62 173.60 2d8h s VAL 44 N 5.35 3.01 -0.18 3.82 1.01 0.34 -0.10 120.40 133.65 2d8h s VAL 44 Ca 0.42 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 2d8h s VAL 44 Cb -0.03 -3.02 -0.22 0.00 0.00 0.00 0.00 36.38 33.11 2d8h s VAL 44 CO 0.00 -0.01 0.13 2.30 0.00 0.00 0.00 175.10 177.52 2d8h n ILE 45 N 7.79 1.64 -3.58 2.22 -5.35 -0.35 -0.10 119.36 121.64 2d8h n ILE 45 Ca 0.31 -0.64 -0.24 0.00 -0.27 0.00 0.00 62.75 61.91 2d8h n ILE 45 Cb 0.46 -1.53 -0.16 0.00 -1.74 0.00 0.00 39.64 36.67 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 -6.73 2.09 0.41 7.28 0.15 -0.23 -4.84 113.70 111.83 2d8h s SER 46 Ca -0.26 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 55.91 2d8h s SER 46 Cb 0.08 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.28 2d8h s SER 46 CO 0.71 -0.34 0.09 -1.59 1.20 0.00 0.00 173.24 173.30 2d8h s LYS 47 N 2.19 1.92 0.51 5.44 -2.85 -1.26 0.08 119.74 125.76 2d8h s LYS 47 Ca 0.03 -2.16 0.00 0.00 -1.00 0.00 0.00 55.97 52.85 2d8h s LYS 47 Cb -0.16 -0.87 -0.00 0.00 -2.06 0.00 0.00 37.83 34.74 2d8h s LYS 47 CO -0.10 -0.38 0.00 0.25 0.10 0.00 0.00 175.35 175.23 2d8h n THR 48 N -0.93 0.00 0.61 3.79 -2.24 -1.26 -5.01 114.28 109.24 2d8h n THR 48 Ca -0.08 -2.44 0.02 0.00 -2.27 0.00 0.00 64.05 59.29 2d8h n THR 48 Cb 0.66 0.50 0.12 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.32 2.17 -4.09 3.42 2.03 -1.26 -4.79 116.55 112.72 2d8h n ASP 49 Ca -0.21 -2.22 -0.24 0.00 0.52 0.00 0.00 54.79 52.63 2d8h n ASP 49 Cb 0.65 -0.47 -0.16 0.00 -0.72 0.00 0.00 41.12 40.42 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2d8h s SER 50 N -0.39 1.84 -0.03 1.67 0.01 -1.26 -5.07 113.70 110.48 2d8h s SER 50 Ca 0.16 -0.30 -0.02 0.00 1.31 0.00 0.00 55.95 57.10 2d8h s SER 50 Cb 0.12 -0.53 -0.01 0.00 0.21 0.00 0.00 66.02 65.80 2d8h s SER 50 CO 0.06 0.12 0.17 0.45 0.41 0.00 0.00 173.24 174.45 2d8h h HIS 51 N 6.34 -0.07 -1.06 2.43 3.86 -1.99 -3.32 115.15 121.33 2d8h h HIS 51 Ca -0.33 -0.00 0.41 0.00 -1.16 0.00 0.00 60.37 59.30 2d8h h HIS 51 Cb 1.17 0.02 -0.16 0.00 1.06 0.00 0.00 27.41 29.51 2d8h h HIS 51 CO 0.44 -0.04 0.62 0.34 0.86 0.00 0.00 177.93 180.15 2d8h n PHE 52 N -3.11 0.95 -0.54 2.45 7.35 -1.26 -3.63 117.46 119.66 2d8h n PHE 52 Ca -0.01 0.95 -0.29 0.00 -0.76 0.00 0.00 57.45 57.34 2d8h n PHE 52 Cb 0.03 -1.37 0.23 0.00 0.35 0.00 0.00 39.48 38.72 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 -4.94 -1.29 -4.79 -2.13 9.92 -1.25 -4.56 116.55 107.51 2d8h n ASP 53 Ca 0.36 -0.01 -0.37 0.00 -0.53 0.00 0.00 54.79 54.25 2d8h n ASP 53 Cb 1.30 -1.29 -0.07 0.00 -0.64 0.00 0.00 41.12 40.42 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 -2.45 3.55 0.46 1.24 0.52 -1.26 -2.87 118.94 118.13 2d8h s TRP 54 Ca 0.67 0.64 0.07 0.00 0.02 0.00 0.00 56.10 57.50 2d8h s TRP 54 Cb -0.24 -2.21 -0.01 0.00 -1.15 0.00 0.00 33.47 29.86 2d8h s TRP 54 CO 0.64 0.46 0.35 -1.58 0.02 0.00 0.00 176.95 176.84 2d8h s TRP 55 N -0.27 2.34 -0.19 -1.98 0.51 0.13 -4.81 118.94 114.66 2d8h s TRP 55 Ca 0.17 -0.62 0.00 0.00 -2.12 0.00 0.00 56.10 53.53 2d8h s TRP 55 Cb -0.13 -2.05 0.02 0.00 -0.81 0.00 0.00 33.47 30.50 2d8h s TRP 55 CO 0.05 -0.18 -0.17 -2.00 -0.51 0.00 0.00 176.95 174.15 2d8h s GLU 56 N -4.13 3.01 0.38 4.98 2.12 0.11 0.18 118.70 125.35 2d8h s GLU 56 Ca 0.43 -0.83 0.04 0.00 0.36 0.00 0.00 54.97 54.97 2d8h s GLU 56 Cb -0.01 -2.66 -0.03 0.00 0.26 0.00 0.00 34.13 31.68 2d8h s GLU 56 CO 0.25 -0.23 0.14 0.20 -0.54 0.00 0.00 175.26 175.08 2d8h s GLY 57 N 1.31 2.48 -0.05 -1.50 0.00 -0.85 -1.07 107.32 107.65 2d8h s GLY 57 Ca 0.04 -1.42 0.05 0.00 0.00 0.00 0.00 44.72 43.40 2d8h s GLY 57 CO -0.11 -1.77 -0.22 0.54 0.00 0.00 0.00 173.10 171.54 2d8h s LYS 58 N -3.72 2.28 -0.04 2.90 1.02 0.85 -2.87 119.74 120.18 2d8h s LYS 58 Ca 0.27 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2d8h s LYS 58 Cb 0.03 -1.93 0.03 0.00 -0.52 0.00 0.00 37.83 35.43 2d8h s LYS 58 CO 0.16 0.32 0.00 -1.17 -0.92 0.00 0.00 175.35 173.74 2d8h s LEU 59 N -0.05 1.03 -1.54 3.17 2.96 0.43 -0.11 118.68 124.57 2d8h s LEU 59 Ca -0.05 -0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.66 2d8h s LEU 59 Cb -0.13 -0.25 0.16 0.00 0.50 0.00 0.00 46.19 46.47 2d8h s LEU 59 CO 0.03 -0.12 0.60 0.54 -1.32 0.00 0.00 176.35 176.08 2d8h n ARG 60 N 4.34 -2.33 0.00 1.98 5.12 -1.26 0.16 116.66 124.66 2d8h n ARG 60 Ca -0.22 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2d8h n ARG 60 Cb 0.50 -4.93 0.00 0.00 -1.16 0.00 0.00 32.46 26.87 2d8h n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2d8h n GLY 61 N -1.15 2.81 3.76 -0.13 0.00 -1.26 -5.02 105.19 104.20 2d8h n GLY 61 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.06 2.96 0.02 1.61 1.11 0.41 -5.05 119.66 120.66 2d8h s GLN 62 Ca 0.00 1.69 0.03 0.00 0.01 0.00 0.00 55.36 57.09 2d8h s GLN 62 Cb 0.00 -1.94 -0.01 0.00 -1.01 0.00 0.00 33.01 30.04 2d8h s GLN 62 CO 0.00 -1.18 -0.09 0.99 0.01 0.00 0.00 175.29 175.02 2d8h s THR 63 N -1.80 0.71 -1.88 -0.19 2.01 -1.26 -0.42 115.64 112.80 2d8h s THR 63 Ca 0.74 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2d8h s THR 63 Cb -0.27 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.59 2d8h s THR 63 CO 0.34 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 2d8h n GLY 64 N 2.31 -1.77 3.96 4.40 0.00 -1.14 -4.53 105.19 108.42 2d8h n GLY 64 Ca -0.17 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.04 5.25 -0.07 -0.61 -4.36 -1.25 -2.00 121.20 116.12 2d8h s ILE 65 Ca 0.00 -0.92 -0.30 0.00 -0.26 0.00 0.00 60.65 59.18 2d8h s ILE 65 Cb 0.00 -3.81 0.10 0.00 1.25 0.00 0.00 42.46 40.00 2d8h s ILE 65 CO 0.00 -0.26 0.85 0.72 0.24 0.00 0.00 174.94 176.49 2d8h s PHE 66 N -1.91 -0.47 -0.05 1.37 -0.71 0.13 -3.00 117.98 113.33 2d8h s PHE 66 Ca 0.34 0.68 -0.30 0.00 -1.04 0.00 0.00 56.93 56.62 2d8h s PHE 66 Cb -0.10 0.46 -0.05 0.00 -1.21 0.00 0.00 43.02 42.13 2d8h s PHE 66 CO 0.29 -0.50 1.49 -1.25 -1.34 0.00 0.00 175.22 173.90 2d8h s PRO 67 N -1.71 4.23 0.45 1.99 0.04 -1.26 0.17 135.00 138.91 2d8h s PRO 67 Ca -0.03 2.01 0.18 0.00 0.04 0.00 0.00 61.00 63.21 2d8h s PRO 67 Cb -0.00 -3.78 1.14 0.00 0.04 0.00 0.00 34.50 31.90 2d8h s PRO 67 CO 0.01 -0.72 1.94 0.00 0.04 0.00 0.00 177.00 178.27 2d8h h ALA 68 N 8.61 2.22 0.00 8.56 0.00 -1.59 0.19 119.26 137.25 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 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2d8h h ALA 68 CO 0.94 -0.41 0.11 -2.95 0.00 0.00 0.00 179.25 176.93 2d8h h ASN 69 N 0.31 0.00 -0.53 0.00 7.08 -1.83 0.42 115.58 121.03 2d8h h ASN 69 Ca 0.34 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.56 2d8h h ASN 69 Cb 0.91 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.15 2d8h h ASN 69 CO -0.09 0.00 0.00 -1.22 -2.08 0.00 0.00 177.43 174.04 2d8h n TYR 70 N -2.40 0.91 -4.10 4.14 4.02 0.66 -4.87 117.16 115.52 2d8h n TYR 70 Ca -0.02 -0.41 -0.11 0.00 -0.01 0.00 0.00 57.90 57.36 2d8h n TYR 70 Cb 0.15 -0.09 -0.07 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 -1.48 0.00 0.02 -0.72 -7.23 0.15 -1.47 120.40 109.66 2d8h s VAL 71 Ca 0.38 -1.71 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 2d8h s VAL 71 Cb 0.22 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 2d8h s VAL 71 CO 0.22 0.00 -0.07 0.28 -0.31 0.00 0.00 175.10 175.23 2d8h s THR 72 N -4.03 0.48 -0.40 5.32 -1.32 0.33 -4.72 115.64 111.31 2d8h s THR 72 Ca 0.31 -0.60 -0.03 0.00 -1.21 0.00 0.00 61.69 60.16 2d8h s THR 72 Cb 0.03 -0.47 0.10 0.00 -1.51 0.00 0.00 72.50 70.65 2d8h s THR 72 CO 0.11 -0.09 0.19 -0.32 -2.21 0.00 0.00 174.62 172.30 2d8h s MET 73 N -0.75 2.06 -0.09 7.08 1.75 -1.26 -2.06 119.30 126.03 2d8h s MET 73 Ca -0.03 -1.76 -0.30 0.00 -1.25 0.00 0.00 55.69 52.35 2d8h s MET 73 Cb -0.05 -3.56 0.10 0.00 2.84 0.00 0.00 34.83 34.16 2d8h s MET 73 CO 0.00 -1.03 0.84 1.21 -0.65 0.00 0.00 175.02 175.39 2d8h s ASN 74 N 1.79 -0.50 -0.05 1.11 3.84 -1.26 -5.11 114.94 114.75 2d8h s ASN 74 Ca 0.07 0.51 -0.25 0.00 0.21 0.00 0.00 52.86 53.40 2d8h s ASN 74 Cb -0.23 0.42 0.05 0.00 -0.55 0.00 0.00 41.25 40.95 2d8h s ASN 74 CO -0.04 -0.49 0.55 -0.94 -2.79 0.00 0.00 177.10 173.39 2d8h s SER 75 N -1.26 -0.51 0.00 -4.21 1.04 -1.26 -4.96 113.70 102.54 2d8h s SER 75 Ca -0.05 0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.93 2d8h s SER 75 Cb -0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2d8h s SER 75 CO 0.04 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2d8h n GLY 76 N 1.17 -0.58 0.00 7.32 0.00 -1.26 -4.97 105.19 106.87 2d8h n GLY 76 Ca -0.19 -0.65 0.07 0.00 0.00 0.00 0.00 46.02 45.25 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 0.17 -1.39 1.61 -0.04 -1.26 -4.87 135.00 129.23 2d8h n PRO 77 Ca 0.00 0.16 -0.52 0.00 -0.04 0.00 0.00 63.50 63.11 2d8h n PRO 77 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2d8h n PRO 77 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d8h n SER 78 N -1.32 -0.51 -3.74 3.54 7.64 -1.26 -4.96 113.62 113.00 2d8h n SER 78 Ca 0.06 1.09 -0.12 0.00 1.01 0.00 0.00 58.87 60.91 2d8h n SER 78 Cb 0.13 -0.89 -0.13 0.00 -1.01 0.00 0.00 64.21 62.31 2d8h n SER 78 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d8h s SER 79 N -0.41 -0.25 0.00 6.43 0.15 -1.26 -5.19 113.70 113.17 2d8h s SER 79 Ca 0.76 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2d8h s SER 79 Cb -1.07 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 2d8h s SER 79 CO 0.54 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.44