#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 1.83 -4.56 1.61 2.88 -1.26 -4.99 113.62 109.13 2d8h n SER 2 Ca 0.00 1.15 -0.24 0.00 -1.33 0.00 0.00 58.87 58.45 2d8h n SER 2 Cb 0.00 -1.31 -0.09 0.00 -0.75 0.00 0.00 64.21 62.07 2d8h n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d8h s SER 3 N -0.03 4.13 0.00 -3.46 1.04 -1.26 -5.10 113.70 109.02 2d8h s SER 3 Ca 0.68 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2d8h s SER 3 Cb -0.75 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 64.75 2d8h s SER 3 CO 0.53 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.40 2d8h n GLY 4 N -0.54 -0.29 2.82 7.32 0.00 -1.26 -5.00 105.19 108.23 2d8h n GLY 4 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2d8h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8h s SER 5 N -0.75 4.12 0.06 1.61 0.01 -1.26 -5.11 113.70 112.38 2d8h s SER 5 Ca 0.00 -1.67 -0.10 0.00 1.31 0.00 0.00 55.95 55.49 2d8h s SER 5 Cb 0.00 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 65.19 2d8h s SER 5 CO 0.00 -0.38 0.21 -0.44 0.41 0.00 0.00 173.24 173.04 2d8h s SER 6 N 1.45 0.03 0.00 2.44 0.01 -1.26 -5.17 113.70 111.20 2d8h s SER 6 Ca 0.08 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2d8h s SER 6 Cb -0.18 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2d8h s SER 6 CO -0.19 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.45 2d8h n GLY 7 N 0.43 -0.96 2.41 3.44 0.00 -1.26 -5.04 105.19 104.21 2d8h n GLY 7 Ca -0.18 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 2d8h n GLY 7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2d8h n HIS 8 N -0.07 2.04 -2.99 1.61 -0.00 -1.26 -5.00 115.22 109.55 2d8h n HIS 8 Ca 0.00 -2.19 -0.44 0.00 0.46 0.00 0.00 57.72 55.55 2d8h n HIS 8 Cb 0.00 -0.29 -0.02 0.00 -0.12 0.00 0.00 29.99 29.56 2d8h n HIS 8 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2d8h s GLU 9 N -3.70 3.62 0.10 1.57 2.02 -1.26 -4.96 118.70 116.09 2d8h s GLU 9 Ca 0.40 -1.91 -0.16 0.00 0.02 0.00 0.00 54.97 53.32 2d8h s GLU 9 Cb 0.37 -4.84 0.03 0.00 0.10 0.00 0.00 34.13 29.78 2d8h s GLU 9 CO 0.00 -1.69 0.38 0.50 0.02 0.00 0.00 175.26 174.46 2d8h s ARG 10 N 2.23 1.00 0.21 1.61 3.52 -1.26 -5.14 118.95 121.12 2d8h s ARG 10 Ca 0.31 -0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 2d8h s ARG 10 Cb -0.06 0.44 -0.10 0.00 -1.56 0.00 0.00 34.95 33.68 2d8h s ARG 10 CO -0.09 -0.37 1.44 0.08 -0.81 0.00 0.00 175.30 175.54 2d8h s VAL 11 N -3.49 2.81 0.00 7.11 1.01 -1.26 -4.84 120.40 121.75 2d8h s VAL 11 Ca 0.01 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2d8h s VAL 11 Cb 0.02 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2d8h s VAL 11 CO -0.10 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2d8h n GLY 12 N 2.67 3.44 3.62 4.51 0.00 -1.26 -5.09 105.19 113.08 2d8h n GLY 12 Ca 0.09 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 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 6.07 -0.52 1.61 0.01 -1.26 -5.04 114.94 115.81 2d8h s ASN 13 Ca 0.00 0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.24 2d8h s ASN 13 Cb 0.00 -2.12 0.14 0.00 0.41 0.00 0.00 41.25 39.69 2d8h s ASN 13 CO 0.00 -0.00 0.30 -0.22 -1.51 0.00 0.00 177.10 175.67 2d8h s LEU 14 N 1.46 3.59 0.33 0.60 1.98 -1.26 -4.93 118.68 120.45 2d8h s LEU 14 Ca 0.08 -3.04 0.14 0.00 -2.89 0.00 0.00 54.13 48.42 2d8h s LEU 14 Cb -0.15 -1.32 0.55 0.00 0.66 0.00 0.00 46.19 45.93 2d8h s LEU 14 CO 0.08 -0.21 1.70 0.78 -1.89 0.00 0.00 176.35 176.81 2d8h h ASN 15 N 6.30 0.00 -4.45 3.68 2.35 -2.01 -3.45 115.58 118.00 2d8h h ASN 15 Ca 0.02 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 2d8h h ASN 15 Cb 0.88 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.04 2d8h h ASN 15 CO 0.59 0.48 0.11 0.00 -1.65 0.00 0.00 177.43 176.97 2d8h s GLN 16 N -3.70 0.90 1.07 0.81 -2.07 -1.26 -5.18 119.66 110.23 2d8h s GLN 16 Ca -0.01 0.61 -0.18 0.00 -1.82 0.00 0.00 55.36 53.96 2d8h s GLN 16 Cb 0.12 0.43 0.27 0.00 -1.09 0.00 0.00 33.01 32.74 2d8h s GLN 16 CO 0.73 -0.20 0.95 -0.35 -1.32 0.00 0.00 175.29 175.10 2d8h n PRO 17 N 1.90 -2.87 -4.37 9.60 -0.04 -1.26 -5.08 135.00 132.88 2d8h n PRO 17 Ca -0.16 -1.52 -0.27 0.00 -0.04 0.00 0.00 63.50 61.51 2d8h n PRO 17 Cb 0.56 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.72 2.62 -0.21 0.52 1.01 -0.62 -4.93 121.20 116.88 2d8h s ILE 18 Ca 0.62 -1.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.36 2d8h s ILE 18 Cb -0.06 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 2d8h s ILE 18 CO 0.47 -0.08 -0.01 -1.61 0.00 0.00 0.00 174.94 173.71 2d8h s GLU 19 N -2.61 3.53 0.06 2.79 2.02 -1.26 0.13 118.70 123.36 2d8h s GLU 19 Ca 0.21 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.70 2d8h s GLU 19 Cb -0.09 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 31.06 2d8h s GLU 19 CO 0.11 -0.07 -0.16 0.14 0.02 0.00 0.00 175.26 175.30 2d8h s VAL 20 N 1.19 1.30 -0.30 2.63 -7.23 -1.07 -3.85 120.40 113.07 2d8h s VAL 20 Ca 0.03 -1.20 -0.09 0.00 -1.81 0.00 0.00 61.98 58.90 2d8h s VAL 20 Cb -0.15 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 2d8h s VAL 20 CO 0.01 -0.03 0.14 -0.89 -0.31 0.00 0.00 175.10 174.01 2d8h s THR 21 N -1.01 4.65 -0.23 5.32 2.01 -1.01 -1.22 115.64 124.15 2d8h s THR 21 Ca 0.02 -0.30 -0.32 0.00 0.31 0.00 0.00 61.69 61.41 2d8h s THR 21 Cb -0.09 -3.32 -0.09 0.00 0.01 0.00 0.00 72.50 69.02 2d8h s THR 21 CO 0.02 0.14 2.15 0.00 -0.69 0.00 0.00 174.62 176.24 2d8h n ALA 22 N 4.98 1.38 0.15 7.40 0.00 -0.99 -2.68 120.51 130.75 2d8h n ALA 22 Ca -0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.22 2d8h n ALA 22 Cb 0.50 -2.71 0.24 0.00 0.00 0.00 0.00 19.45 17.48 2d8h n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2d8h h LEU 23 N 13.00 0.04 -8.04 0.00 3.38 -0.19 0.38 115.31 123.88 2d8h h LEU 23 Ca -0.38 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 2d8h h LEU 23 Cb 1.27 -0.01 -0.16 0.00 0.09 0.00 0.00 40.66 41.85 2d8h h LEU 23 CO 0.98 0.54 -0.58 -0.31 0.09 0.00 0.00 178.44 179.16 2d8h s TYR 24 N -3.90 0.34 0.61 1.13 2.02 -1.15 -4.77 117.35 111.63 2d8h s TYR 24 Ca -0.02 -0.78 -0.16 0.00 -0.37 0.00 0.00 57.07 55.73 2d8h s TYR 24 Cb 0.13 -0.24 -0.03 0.00 -0.40 0.00 0.00 41.96 41.42 2d8h s TYR 24 CO 0.75 -0.40 1.08 -1.12 -1.57 0.00 0.00 175.55 174.29 2d8h s SER 25 N -2.60 5.59 -0.03 2.29 0.01 -1.26 -3.85 113.70 113.85 2d8h s SER 25 Ca 0.02 1.88 -0.14 0.00 1.31 0.00 0.00 55.95 59.02 2d8h s SER 25 Cb 0.04 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.75 2d8h s SER 25 CO -0.08 -1.30 0.31 0.12 0.41 0.00 0.00 173.24 172.70 2d8h s PHE 26 N -2.39 -0.20 -0.29 2.43 5.36 -0.97 -4.87 117.98 117.04 2d8h s PHE 26 Ca 0.65 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 2d8h s PHE 26 Cb -0.18 0.10 0.09 0.00 -0.34 0.00 0.00 43.02 42.69 2d8h s PHE 26 CO 0.38 -0.36 0.06 -1.21 -1.46 0.00 0.00 175.22 172.63 2d8h s GLU 27 N -1.11 0.97 -0.26 10.12 8.01 -1.26 -3.23 118.70 131.93 2d8h s GLU 27 Ca -0.12 -1.15 -0.30 0.00 0.01 0.00 0.00 54.97 53.41 2d8h s GLU 27 Cb -0.05 -2.30 -0.07 0.00 -4.31 0.00 0.00 34.13 27.40 2d8h s GLU 27 CO 0.04 -0.89 2.22 0.41 0.01 0.00 0.00 175.26 177.04 2d8h n GLY 28 N 4.73 0.84 0.23 -1.39 0.00 -1.17 -4.82 105.19 103.62 2d8h n GLY 28 Ca -0.03 0.83 0.05 0.00 0.00 0.00 0.00 46.02 46.87 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 14.28 0.08 -6.19 1.61 1.08 -1.97 -3.43 115.11 120.57 2d8h h GLN 29 Ca -0.36 -0.02 -0.50 0.00 -1.45 0.00 0.00 58.65 56.32 2d8h h GLN 29 Cb 1.27 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.65 2d8h h GLN 29 CO 0.98 0.23 -0.50 -0.65 -0.95 0.00 0.00 178.83 177.94 2d8h s GLN 30 N -4.72 3.11 0.51 1.46 -0.21 -1.26 -5.01 119.66 113.53 2d8h s GLN 30 Ca -0.05 -0.92 0.32 0.00 0.02 0.00 0.00 55.36 54.73 2d8h s GLN 30 Cb 0.16 -2.69 1.35 0.00 1.00 0.00 0.00 33.01 32.83 2d8h s GLN 30 CO 0.71 0.42 1.95 -1.00 -2.12 0.00 0.00 175.29 175.25 2d8h h PRO 31 N 1.51 0.00 0.00 2.91 0.13 -2.03 -2.65 132.00 131.87 2d8h h PRO 31 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2d8h h PRO 31 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2d8h h PRO 31 CO 0.61 0.00 -0.39 0.41 -0.23 0.00 0.00 178.00 178.41 2d8h n GLY 32 N -0.02 -1.51 2.06 1.56 0.00 -1.26 -4.89 105.19 101.13 2d8h n GLY 32 Ca 0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.12 -0.13 -4.41 1.61 8.00 -1.00 -3.14 116.55 115.36 2d8h n ASP 33 Ca 0.04 -1.21 -0.27 0.00 0.71 0.00 0.00 54.79 54.06 2d8h n ASP 33 Cb 0.43 -0.55 -0.12 0.00 -0.02 0.00 0.00 41.12 40.86 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 2.40 -0.21 0.64 2.96 -1.10 -4.33 118.68 119.04 2d8h s LEU 34 Ca 0.40 -0.84 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 2d8h s LEU 34 Cb -0.01 -1.16 0.02 0.00 0.50 0.00 0.00 46.19 45.54 2d8h s LEU 34 CO 0.29 0.13 -0.14 0.20 -1.32 0.00 0.00 176.35 175.50 2d8h s ASN 35 N -2.51 3.70 0.29 3.68 -0.87 -1.26 -3.05 114.94 114.92 2d8h s ASN 35 Ca 0.19 -0.77 0.03 0.00 -1.57 0.00 0.00 52.86 50.74 2d8h s ASN 35 Cb -0.08 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.25 39.56 2d8h s ASN 35 CO 0.09 -0.05 0.26 0.72 -2.57 0.00 0.00 177.10 175.54 2d8h s PHE 36 N 1.29 1.46 0.04 2.20 -0.71 -1.20 -4.98 117.98 116.08 2d8h s PHE 36 Ca 0.02 -1.51 0.01 0.00 -1.04 0.00 0.00 56.93 54.41 2d8h s PHE 36 Cb -0.15 -0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 41.07 2d8h s PHE 36 CO -0.09 -0.84 -0.05 -0.65 -1.34 0.00 0.00 175.22 172.26 2d8h s GLN 37 N -3.63 0.46 -0.65 1.99 -0.21 -1.26 -2.30 119.66 114.06 2d8h s GLN 37 Ca 0.39 -0.80 -0.35 0.00 0.02 0.00 0.00 55.36 54.62 2d8h s GLN 37 Cb 0.03 -0.02 -0.17 0.00 1.00 0.00 0.00 33.01 33.85 2d8h s GLN 37 CO 0.22 -0.03 2.39 0.00 -2.12 0.00 0.00 175.29 175.75 2d8h n ALA 38 N 1.22 0.52 0.00 6.09 0.00 -1.25 0.11 120.51 127.20 2d8h n ALA 38 Ca -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2d8h n ALA 38 Cb 0.56 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 6.72 2.22 3.69 0.00 0.00 0.13 -4.93 105.19 113.03 2d8h n GLY 39 Ca 0.54 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 3.78 -4.71 1.61 9.92 0.12 -4.44 116.55 122.83 2d8h n ASP 40 Ca 0.00 1.03 -0.42 0.00 -0.53 0.00 0.00 54.79 54.88 2d8h n ASP 40 Cb 0.00 -1.52 -0.03 0.00 -0.64 0.00 0.00 41.12 38.93 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 1.92 4.50 -0.16 -1.24 1.81 -1.26 -2.34 118.95 122.19 2d8h s ARG 41 Ca 0.80 1.28 -0.03 0.00 -1.72 0.00 0.00 55.73 56.06 2d8h s ARG 41 Cb -0.55 -3.47 -0.02 0.00 -0.45 0.00 0.00 34.95 30.46 2d8h s ARG 41 CO 0.37 -0.07 -0.07 0.42 -0.68 0.00 0.00 175.30 175.27 2d8h s ILE 42 N 1.15 3.56 -0.67 1.52 1.01 -0.36 -4.77 121.20 122.64 2d8h s ILE 42 Ca 0.48 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 2d8h s ILE 42 Cb -0.20 -2.55 0.04 0.00 0.01 0.00 0.00 42.46 39.76 2d8h s ILE 42 CO 0.24 0.49 1.17 -0.89 0.00 0.00 0.00 174.94 175.95 2d8h s THR 43 N 0.49 3.97 -0.40 2.92 2.01 0.28 -2.59 115.64 122.32 2d8h s THR 43 Ca -0.05 0.36 -0.28 0.00 0.31 0.00 0.00 61.69 62.03 2d8h s THR 43 Cb -0.15 -4.80 -0.02 0.00 0.01 0.00 0.00 72.50 67.54 2d8h s THR 43 CO 0.03 -1.60 1.87 -0.69 -0.69 0.00 0.00 174.62 173.54 2d8h s VAL 44 N 5.07 3.40 -0.17 3.82 1.01 0.12 -0.00 120.40 133.65 2d8h s VAL 44 Ca 0.34 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2d8h s VAL 44 Cb -0.10 -3.65 -0.22 0.00 0.00 0.00 0.00 36.38 32.41 2d8h s VAL 44 CO 0.17 -0.49 0.14 2.30 0.00 0.00 0.00 175.10 177.22 2d8h n ILE 45 N 7.42 1.62 -3.51 2.22 -5.35 -0.63 -1.59 119.36 119.54 2d8h n ILE 45 Ca 0.23 -0.65 -0.22 0.00 -0.27 0.00 0.00 62.75 61.84 2d8h n ILE 45 Cb 0.48 -1.43 -0.14 0.00 -1.74 0.00 0.00 39.64 36.81 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 -6.61 2.19 0.30 7.28 0.15 -0.43 -4.95 113.70 111.62 2d8h s SER 46 Ca -0.24 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 55.75 2d8h s SER 46 Cb 0.08 0.10 -0.06 0.00 -1.71 0.00 0.00 66.02 64.42 2d8h s SER 46 CO 0.72 -0.37 0.07 -1.59 1.20 0.00 0.00 173.24 173.27 2d8h s LYS 47 N 2.24 1.56 0.50 5.44 -2.85 -1.26 -0.50 119.74 124.86 2d8h s LYS 47 Ca 0.07 -1.86 0.05 0.00 -1.00 0.00 0.00 55.97 53.23 2d8h s LYS 47 Cb -0.15 -0.63 0.00 0.00 -2.06 0.00 0.00 37.83 34.99 2d8h s LYS 47 CO -0.22 -0.23 0.26 0.95 0.10 0.00 0.00 175.35 176.20 2d8h s THR 48 N -3.48 1.76 -0.35 3.79 -4.23 -1.26 -5.02 115.64 106.85 2d8h s THR 48 Ca 0.37 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.21 2d8h s THR 48 Cb 0.08 -2.41 0.13 0.00 1.34 0.00 0.00 72.50 71.65 2d8h s THR 48 CO 0.15 0.00 2.39 0.47 -0.54 0.00 0.00 174.62 177.09 2d8h n ASP 49 N -1.51 6.40 -3.74 3.99 8.00 -1.26 -4.83 116.55 123.61 2d8h n ASP 49 Ca -0.05 -3.09 -0.12 0.00 0.71 0.00 0.00 54.79 52.24 2d8h n ASP 49 Cb 0.65 -1.14 -0.13 0.00 -0.02 0.00 0.00 41.12 40.48 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2d8h s SER 50 N 0.35 -0.26 0.19 -2.24 0.01 -1.26 -5.03 113.70 105.46 2d8h s SER 50 Ca 0.43 0.52 0.11 0.00 1.31 0.00 0.00 55.95 58.32 2d8h s SER 50 Cb 0.30 0.43 -0.09 0.00 0.21 0.00 0.00 66.02 66.87 2d8h s SER 50 CO -0.09 -0.15 1.33 0.45 0.41 0.00 0.00 173.24 175.19 2d8h h HIS 51 N 6.90 0.00 -0.80 2.43 3.86 -1.98 -3.31 115.15 122.24 2d8h h HIS 51 Ca -0.38 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 58.41 2d8h h HIS 51 Cb 1.16 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.48 2d8h h HIS 51 CO 0.37 0.77 0.34 0.34 0.86 0.00 0.00 177.93 180.61 2d8h n PHE 52 N -3.28 1.46 -3.90 2.45 -0.00 -1.26 -3.58 117.46 109.35 2d8h n PHE 52 Ca 0.00 -1.92 -0.10 0.00 -0.00 0.00 0.00 57.45 55.44 2d8h n PHE 52 Cb 0.85 -1.26 -0.06 0.00 -0.00 0.00 0.00 39.48 39.01 2d8h n PHE 52 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2d8h s ASP 53 N 0.42 -0.05 -0.07 -2.13 1.11 -1.25 -5.06 116.67 109.65 2d8h s ASP 53 Ca 0.51 -0.76 -0.18 0.00 0.18 0.00 0.00 52.55 52.30 2d8h s ASP 53 Cb 0.33 0.48 -0.05 0.00 1.07 0.00 0.00 42.92 44.76 2d8h s ASP 53 CO -0.14 -0.95 0.48 0.26 1.18 0.00 0.00 175.17 176.01 2d8h s TRP 54 N -3.94 3.60 0.48 4.23 0.52 -1.26 -2.10 118.94 120.46 2d8h s TRP 54 Ca 0.15 0.97 0.06 0.00 0.02 0.00 0.00 56.10 57.31 2d8h s TRP 54 Cb 0.02 -2.50 -0.00 0.00 -1.15 0.00 0.00 33.47 29.84 2d8h s TRP 54 CO -0.01 0.32 0.33 -1.58 0.02 0.00 0.00 176.95 176.03 2d8h s TRP 55 N 0.06 2.17 -0.24 -1.98 0.51 0.11 -4.83 118.94 114.74 2d8h s TRP 55 Ca 0.26 -0.69 0.03 0.00 -2.12 0.00 0.00 56.10 53.58 2d8h s TRP 55 Cb -0.16 -1.99 0.05 0.00 -0.81 0.00 0.00 33.47 30.56 2d8h s TRP 55 CO 0.12 -0.19 -0.13 -2.00 -0.51 0.00 0.00 176.95 174.24 2d8h s GLU 56 N -4.13 2.37 0.30 4.98 2.12 0.34 -0.97 118.70 123.71 2d8h s GLU 56 Ca 0.39 -1.23 0.01 0.00 0.36 0.00 0.00 54.97 54.50 2d8h s GLU 56 Cb -0.01 -2.81 -0.00 0.00 0.26 0.00 0.00 34.13 31.56 2d8h s GLU 56 CO 0.23 -0.50 0.04 0.41 -0.54 0.00 0.00 175.26 174.90 2d8h n GLY 57 N 4.48 3.68 3.03 -1.50 0.00 -1.05 -1.32 105.19 112.52 2d8h n GLY 57 Ca -0.15 -2.20 -0.23 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 -3.10 1.32 -0.02 1.61 1.02 1.00 -2.84 119.74 118.72 2d8h s LYS 58 Ca 0.06 -0.39 -0.05 0.00 0.02 0.00 0.00 55.97 55.61 2d8h s LYS 58 Cb 0.00 -1.17 0.00 0.00 -0.52 0.00 0.00 37.83 36.15 2d8h s LYS 58 CO 0.04 0.11 0.11 -1.17 -0.92 0.00 0.00 175.35 173.52 2d8h s LEU 59 N 0.31 1.65 -1.68 3.17 2.96 -0.89 -0.55 118.68 123.65 2d8h s LEU 59 Ca -0.06 -0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.69 2d8h s LEU 59 Cb -0.11 0.47 0.11 0.00 0.50 0.00 0.00 46.19 47.15 2d8h s LEU 59 CO 0.02 -0.21 0.36 0.54 -1.32 0.00 0.00 176.35 175.73 2d8h n ARG 60 N 2.20 -1.33 -3.17 1.98 1.74 -1.26 0.12 116.66 116.93 2d8h n ARG 60 Ca -0.18 0.17 -0.20 0.00 -0.77 0.00 0.00 57.85 56.87 2d8h n ARG 60 Cb 0.57 -4.27 0.05 0.00 -1.02 0.00 0.00 32.46 27.79 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 -1.82 -0.37 3.43 -0.13 0.00 -1.26 -5.00 105.19 100.03 2d8h n GLY 61 Ca -0.11 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.83 1.76 -0.09 1.61 -0.21 0.32 -5.17 119.66 112.05 2d8h s GLN 62 Ca 0.38 -2.04 -0.09 0.00 0.02 0.00 0.00 55.36 53.63 2d8h s GLN 62 Cb -0.17 -0.40 0.03 0.00 1.00 0.00 0.00 33.01 33.47 2d8h s GLN 62 CO 0.47 -0.44 0.27 0.99 -2.12 0.00 0.00 175.29 174.45 2d8h s THR 63 N -3.38 0.01 -0.08 -0.19 2.01 -1.26 -2.09 115.64 110.65 2d8h s THR 63 Ca 0.31 -0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.95 2d8h s THR 63 Cb 0.04 -0.39 0.11 0.00 0.01 0.00 0.00 72.50 72.27 2d8h s THR 63 CO 0.16 -0.02 1.37 -0.83 -0.69 0.00 0.00 174.62 174.61 2d8h s GLY 64 N 0.03 -0.28 0.04 4.40 0.00 -1.13 -4.68 107.32 105.70 2d8h s GLY 64 Ca -0.01 0.35 -0.01 0.00 0.00 0.00 0.00 44.72 45.05 2d8h s GLY 64 CO 0.01 4.85 0.21 -0.26 0.00 0.00 0.00 173.10 177.91 2d8h s ILE 65 N -2.03 5.39 0.00 0.90 -4.36 -1.19 -2.52 121.20 117.40 2d8h s ILE 65 Ca 0.27 -0.28 -0.28 0.00 -0.26 0.00 0.00 60.65 60.10 2d8h s ILE 65 Cb 0.02 -3.60 0.07 0.00 1.25 0.00 0.00 42.46 40.20 2d8h s ILE 65 CO -0.04 0.20 0.64 0.72 0.24 0.00 0.00 174.94 176.71 2d8h s PHE 66 N -1.45 -0.60 -0.03 1.37 -0.71 -0.14 -2.71 117.98 113.71 2d8h s PHE 66 Ca 0.33 0.89 -0.30 0.00 -1.04 0.00 0.00 56.93 56.80 2d8h s PHE 66 Cb -0.13 0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 42.05 2d8h s PHE 66 CO 0.25 -0.65 1.48 -1.25 -1.34 0.00 0.00 175.22 173.70 2d8h s PRO 67 N -1.82 4.24 0.59 1.99 0.04 -1.26 0.04 135.00 138.82 2d8h s PRO 67 Ca -0.08 2.02 0.29 0.00 0.04 0.00 0.00 61.00 63.26 2d8h s PRO 67 Cb -0.00 -3.72 1.73 0.00 0.04 0.00 0.00 34.50 32.54 2d8h s PRO 67 CO 0.04 -0.69 2.18 0.00 0.04 0.00 0.00 177.00 178.58 2d8h h ALA 68 N 8.41 1.67 0.00 8.56 0.00 -1.61 0.29 119.26 136.58 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 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2d8h h ALA 68 CO 0.93 -0.13 0.00 -1.71 0.00 0.00 0.00 179.25 178.34 2d8h n ASN 69 N -3.86 0.18 -0.89 0.00 5.15 -1.23 -0.77 115.26 113.84 2d8h n ASN 69 Ca -0.01 0.57 0.12 0.00 -0.60 0.00 0.00 54.58 54.66 2d8h n ASN 69 Cb 0.19 -0.60 0.24 0.00 -0.53 0.00 0.00 39.78 39.08 2d8h n ASN 69 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2d8h n TYR 70 N -1.72 0.17 -4.43 1.20 4.02 0.09 -4.92 117.16 111.57 2d8h n TYR 70 Ca 0.01 -0.09 -0.23 0.00 -0.01 0.00 0.00 57.90 57.58 2d8h n TYR 70 Cb 0.09 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.34 2d8h n TYR 70 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2d8h n VAL 71 N 1.07 0.00 -3.72 -0.72 0.24 0.05 0.54 118.33 115.79 2d8h n VAL 71 Ca 0.17 -2.36 -0.13 0.00 -2.04 0.00 0.00 64.34 59.97 2d8h n VAL 71 Cb 0.53 0.95 -0.08 0.00 -1.47 0.00 0.00 33.84 33.77 2d8h n VAL 71 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2d8h s THR 72 N -3.15 0.06 -0.36 3.34 -1.32 -1.09 -4.71 115.64 108.41 2d8h s THR 72 Ca 0.26 -0.50 -0.23 0.00 -1.21 0.00 0.00 61.69 60.01 2d8h s THR 72 Cb 0.01 -0.80 0.01 0.00 -1.51 0.00 0.00 72.50 70.21 2d8h s THR 72 CO 0.18 -0.27 0.80 -0.04 -2.21 0.00 0.00 174.62 173.08 2d8h s MET 73 N -1.89 3.76 -0.25 7.08 -1.94 -1.26 -2.41 119.30 122.39 2d8h s MET 73 Ca -0.09 0.33 -0.04 0.00 -1.71 0.00 0.00 55.69 54.17 2d8h s MET 73 Cb -0.03 -3.81 0.00 0.00 2.01 0.00 0.00 34.83 33.00 2d8h s MET 73 CO 0.01 -0.86 -0.01 1.21 -0.01 0.00 0.00 175.02 175.36 2d8h s ASN 74 N 1.85 4.58 0.10 3.03 2.47 -1.25 -5.03 114.94 120.68 2d8h s ASN 74 Ca 0.32 -0.54 0.03 0.00 0.42 0.00 0.00 52.86 53.09 2d8h s ASN 74 Cb -0.13 -1.78 -0.04 0.00 -1.45 0.00 0.00 41.25 37.86 2d8h s ASN 74 CO 0.17 -0.08 -0.09 -0.94 -3.72 0.00 0.00 177.10 172.44 2d8h s SER 75 N 1.47 1.35 0.00 -4.21 1.04 -1.26 -4.88 113.70 107.20 2d8h s SER 75 Ca 0.04 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2d8h s SER 75 Cb -0.15 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2d8h s SER 75 CO -0.02 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2d8h n GLY 76 N 0.41 -2.11 3.67 7.32 0.00 -1.26 -4.91 105.19 108.31 2d8h n GLY 76 Ca -0.15 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 4.23 0.05 1.61 0.04 -1.26 -4.91 135.00 134.75 2d8h s PRO 77 Ca 0.00 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.12 2d8h s PRO 77 Cb 0.00 -3.78 -0.23 0.00 0.04 0.00 0.00 34.50 30.52 2d8h s PRO 77 CO 0.00 -0.72 1.01 0.66 0.04 0.00 0.00 177.00 177.98 2d8h h SER 78 N 8.64 0.10 0.01 6.66 4.64 -2.07 -3.37 113.55 128.16 2d8h h SER 78 Ca -0.36 -0.13 -0.40 0.00 -0.47 0.00 0.00 61.79 60.42 2d8h h SER 78 Cb 1.16 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 63.16 2d8h h SER 78 CO 0.94 1.11 -2.42 -0.24 -0.87 0.00 0.00 176.83 175.35 2d8h n SER 79 N -3.29 1.98 0.00 4.97 2.88 -1.26 -5.32 113.62 113.58 2d8h n SER 79 Ca -0.09 0.04 0.05 0.00 -1.33 0.00 0.00 58.87 57.54 2d8h n SER 79 Cb 1.00 -0.57 0.30 0.00 -0.75 0.00 0.00 64.21 64.18 2d8h n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42