#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 -0.90 -0.33 1.61 1.04 -1.26 -5.14 113.70 108.73 2d8h s SER 2 Ca 0.00 1.28 -0.04 0.00 0.48 0.00 0.00 55.95 57.66 2d8h s SER 2 Cb 0.00 1.88 0.05 0.00 0.10 0.00 0.00 66.02 68.05 2d8h s SER 2 CO 0.00 -0.18 0.07 -0.44 0.98 0.00 0.00 173.24 173.66 2d8h s SER 3 N 2.43 5.15 0.00 7.02 0.01 -1.26 -5.08 113.70 121.97 2d8h s SER 3 Ca -0.06 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 55.97 2d8h s SER 3 Cb -0.08 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.34 2d8h s SER 3 CO -0.18 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2d8h n GLY 4 N 4.73 3.26 3.36 3.44 0.00 -1.26 -5.16 105.19 113.55 2d8h n GLY 4 Ca -0.12 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 2d8h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8h s SER 5 N -0.46 0.02 -1.24 1.61 0.15 -1.26 -5.08 113.70 107.43 2d8h s SER 5 Ca 0.00 -0.84 -0.17 0.00 0.70 0.00 0.00 55.95 55.64 2d8h s SER 5 Cb 0.00 0.45 0.10 0.00 -1.71 0.00 0.00 66.02 64.86 2d8h s SER 5 CO 0.00 -0.91 1.61 -0.55 1.20 0.00 0.00 173.24 174.58 2d8h s SER 6 N -2.96 6.90 0.00 5.45 0.15 -1.26 -4.96 113.70 117.01 2d8h s SER 6 Ca 0.17 -2.57 0.00 0.00 0.70 0.00 0.00 55.95 54.24 2d8h s SER 6 Cb 0.03 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2d8h s SER 6 CO 0.00 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.01 2d8h n GLY 7 N 5.04 -0.12 3.50 9.45 0.00 -1.26 -4.74 105.19 117.06 2d8h n GLY 7 Ca 0.43 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.04 0.53 -2.72 1.61 -0.00 -1.26 -4.80 115.22 108.53 2d8h n HIS 8 Ca 0.00 0.34 -0.42 0.00 -0.00 0.00 0.00 57.72 57.63 2d8h n HIS 8 Cb 0.00 -2.20 -0.03 0.00 -0.00 0.00 0.00 29.99 27.75 2d8h n HIS 8 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2d8h s GLU 9 N 8.79 3.32 -0.28 -0.41 0.41 -1.26 -4.96 118.70 124.31 2d8h s GLU 9 Ca 1.35 -0.88 -0.34 0.00 -0.41 0.00 0.00 54.97 54.69 2d8h s GLU 9 Cb -1.19 -4.57 -0.15 0.00 -1.78 0.00 0.00 34.13 26.44 2d8h s GLU 9 CO 0.49 -1.99 1.10 2.89 -0.49 0.00 0.00 175.26 177.26 2d8h n ARG 10 N 8.24 0.00 -1.36 1.61 1.85 -1.26 -4.67 116.66 121.07 2d8h n ARG 10 Ca 0.11 0.00 -0.48 0.00 -1.00 0.00 0.00 57.85 56.47 2d8h n ARG 10 Cb 0.48 -1.13 -0.04 0.00 -1.05 0.00 0.00 32.46 30.72 2d8h n ARG 10 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2d8h n VAL 11 N 2.52 1.41 0.00 8.89 0.24 -1.26 -4.87 118.33 125.26 2d8h n VAL 11 Ca 0.21 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2d8h n VAL 11 Cb -0.02 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 2d8h n VAL 11 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d8h n GLY 12 N 1.78 -0.51 3.77 7.63 0.00 -1.26 -5.15 105.19 111.45 2d8h n GLY 12 Ca 0.18 0.44 -0.38 0.00 0.00 0.00 0.00 46.02 46.25 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 6.77 -0.73 1.61 0.01 -1.26 -5.00 114.94 116.34 2d8h s ASN 13 Ca 0.00 2.26 0.04 0.00 -0.71 0.00 0.00 52.86 54.46 2d8h s ASN 13 Cb 0.00 -2.61 0.18 0.00 0.41 0.00 0.00 41.25 39.23 2d8h s ASN 13 CO 0.00 -0.49 0.54 -0.11 -1.51 0.00 0.00 177.10 175.52 2d8h n LEU 14 N 0.33 3.19 0.10 0.60 -0.00 -1.26 -4.91 117.00 115.05 2d8h n LEU 14 Ca 0.03 -5.22 0.04 0.00 -0.00 0.00 0.00 56.01 50.87 2d8h n LEU 14 Cb 0.47 -0.79 0.47 0.00 -0.00 0.00 0.00 43.42 43.56 2d8h n LEU 14 CO 0.50 1.75 1.06 0.78 -0.00 0.00 0.00 177.39 181.48 2d8h h ASN 15 N 5.39 0.29 -5.02 1.96 2.35 -2.02 -3.44 115.58 115.10 2d8h h ASN 15 Ca 0.15 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 2d8h h ASN 15 Cb 0.75 -0.07 -0.17 0.00 0.05 0.00 0.00 38.32 38.88 2d8h h ASN 15 CO 0.74 0.27 -0.03 -1.10 -1.65 0.00 0.00 177.43 175.66 2d8h s GLN 16 N -5.16 0.94 1.00 0.81 -0.21 -1.26 -5.17 119.66 110.61 2d8h s GLN 16 Ca -0.07 -0.19 -0.12 0.00 0.02 0.00 0.00 55.36 55.00 2d8h s GLN 16 Cb 0.17 0.43 0.19 0.00 1.00 0.00 0.00 33.01 34.80 2d8h s GLN 16 CO 0.72 -0.32 1.09 -1.25 -2.12 0.00 0.00 175.29 173.41 2d8h s PRO 17 N -2.07 0.38 0.13 2.91 0.04 -1.26 -5.07 135.00 130.06 2d8h s PRO 17 Ca -0.08 0.50 0.07 0.00 0.04 0.00 0.00 61.00 61.54 2d8h s PRO 17 Cb -0.01 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 2d8h s PRO 17 CO 0.01 -2.76 -0.06 0.42 0.04 0.00 0.00 177.00 174.65 2d8h s ILE 18 N -2.97 3.54 -0.16 0.56 1.01 -0.57 -4.93 121.20 117.68 2d8h s ILE 18 Ca 0.65 -1.30 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 2d8h s ILE 18 Cb -0.19 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 2d8h s ILE 18 CO 0.58 0.04 -0.11 -1.61 0.00 0.00 0.00 174.94 173.83 2d8h s GLU 19 N -2.47 3.35 0.07 2.79 2.02 -1.26 0.18 118.70 123.38 2d8h s GLU 19 Ca 0.24 -0.68 0.04 0.00 0.02 0.00 0.00 54.97 54.59 2d8h s GLU 19 Cb -0.10 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 2d8h s GLU 19 CO 0.16 0.04 -0.12 0.14 0.02 0.00 0.00 175.26 175.50 2d8h s VAL 20 N 0.80 0.97 -0.21 2.63 -7.23 -1.15 -4.74 120.40 111.47 2d8h s VAL 20 Ca -0.04 -1.31 -0.09 0.00 -1.81 0.00 0.00 61.98 58.74 2d8h s VAL 20 Cb -0.15 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 2d8h s VAL 20 CO 0.01 -0.31 0.11 -0.89 -0.31 0.00 0.00 175.10 173.71 2d8h s THR 21 N -1.46 5.09 -0.22 5.32 2.01 -0.88 -1.79 115.64 123.70 2d8h s THR 21 Ca -0.03 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 2d8h s THR 21 Cb -0.09 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 2d8h s THR 21 CO 0.02 0.41 1.74 0.00 -0.69 0.00 0.00 174.62 176.10 2d8h s ALA 22 N 0.64 3.16 0.32 7.40 0.00 -1.08 -1.47 121.76 130.73 2d8h s ALA 22 Ca 0.06 0.52 0.12 0.00 0.00 0.00 0.00 51.96 52.66 2d8h s ALA 22 Cb -0.12 -3.91 0.56 0.00 0.00 0.00 0.00 23.12 19.65 2d8h s ALA 22 CO 0.01 -2.14 1.73 -0.07 0.00 0.00 0.00 175.76 175.29 2d8h h LEU 23 N 12.33 0.00 -8.13 0.00 3.38 -0.39 0.96 115.31 123.47 2d8h h LEU 23 Ca -0.36 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 2d8h h LEU 23 Cb 1.17 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 2d8h h LEU 23 CO 1.00 0.48 -0.58 -0.31 0.09 0.00 0.00 178.44 179.12 2d8h s TYR 24 N -3.91 0.44 0.58 1.13 2.02 -1.15 -4.76 117.35 111.70 2d8h s TYR 24 Ca -0.02 -0.94 -0.16 0.00 -0.37 0.00 0.00 57.07 55.59 2d8h s TYR 24 Cb 0.13 -0.29 -0.04 0.00 -0.40 0.00 0.00 41.96 41.36 2d8h s TYR 24 CO 0.74 -0.44 1.05 -1.12 -1.57 0.00 0.00 175.55 174.20 2d8h s SER 25 N -2.91 5.88 0.07 2.29 0.01 -1.26 -3.60 113.70 114.18 2d8h s SER 25 Ca 0.08 1.79 -0.16 0.00 1.31 0.00 0.00 55.95 58.96 2d8h s SER 25 Cb 0.07 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.80 2d8h s SER 25 CO -0.09 -1.10 0.38 0.12 0.41 0.00 0.00 173.24 172.96 2d8h s PHE 26 N -2.47 -0.20 -0.21 2.43 5.36 -0.45 -4.85 117.98 117.59 2d8h s PHE 26 Ca 0.63 0.03 -0.04 0.00 -0.96 0.00 0.00 56.93 56.59 2d8h s PHE 26 Cb -0.15 0.20 0.08 0.00 -0.34 0.00 0.00 43.02 42.81 2d8h s PHE 26 CO 0.36 -0.61 0.16 -1.21 -1.46 0.00 0.00 175.22 172.47 2d8h s GLU 27 N -3.01 0.15 -0.74 10.12 2.02 -1.26 -2.26 118.70 123.71 2d8h s GLU 27 Ca -0.02 -0.04 -0.31 0.00 0.02 0.00 0.00 54.97 54.62 2d8h s GLU 27 Cb 0.00 -1.41 -0.16 0.00 0.10 0.00 0.00 34.13 32.66 2d8h s GLU 27 CO -0.06 -0.74 2.52 0.41 0.02 0.00 0.00 175.26 177.41 2d8h n GLY 28 N 5.29 -0.16 0.13 -1.39 0.00 -1.22 -4.76 105.19 103.09 2d8h n GLY 28 Ca -0.06 0.99 -0.01 0.00 0.00 0.00 0.00 46.02 46.94 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 13.92 0.00 -6.12 1.61 1.08 -1.96 -3.45 115.11 120.19 2d8h h GLN 29 Ca -0.13 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.56 2d8h h GLN 29 Cb 1.31 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.72 2d8h h GLN 29 CO 1.26 0.63 -0.46 -0.65 -0.95 0.00 0.00 178.83 178.66 2d8h s GLN 30 N -3.45 3.40 -0.28 1.46 -0.21 -1.26 -5.05 119.66 114.27 2d8h s GLN 30 Ca -0.01 -0.69 -0.29 0.00 0.02 0.00 0.00 55.36 54.39 2d8h s GLN 30 Cb 0.12 -2.91 -0.02 0.00 1.00 0.00 0.00 33.01 31.20 2d8h s GLN 30 CO 0.76 0.48 1.66 -1.25 -2.12 0.00 0.00 175.29 174.81 2d8h s PRO 31 N -3.58 3.60 0.00 2.91 0.04 -1.26 -2.75 135.00 133.96 2d8h s PRO 31 Ca 0.34 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2d8h s PRO 31 Cb -0.10 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2d8h s PRO 31 CO 0.28 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 176.20 2d8h n GLY 32 N 5.00 0.88 2.91 0.56 0.00 -1.26 -5.11 105.19 108.16 2d8h n GLY 32 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -4.01 -4.27 1.61 9.92 -1.11 -3.69 116.55 115.00 2d8h n ASP 33 Ca 0.00 -0.80 -0.29 0.00 -0.53 0.00 0.00 54.79 53.17 2d8h n ASP 33 Cb 0.00 -0.91 -0.16 0.00 -0.64 0.00 0.00 41.12 39.41 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 2.04 -0.24 0.64 2.96 -0.88 -4.43 118.68 118.77 2d8h s LEU 34 Ca 0.61 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 2d8h s LEU 34 Cb -0.11 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 2d8h s LEU 34 CO 0.51 0.28 0.06 0.20 -1.32 0.00 0.00 176.35 176.08 2d8h s ASN 35 N -0.49 5.13 0.35 3.68 0.01 -1.26 -3.38 114.94 118.99 2d8h s ASN 35 Ca 0.07 -0.18 0.05 0.00 -0.71 0.00 0.00 52.86 52.09 2d8h s ASN 35 Cb -0.10 -1.91 -0.03 0.00 0.41 0.00 0.00 41.25 39.62 2d8h s ASN 35 CO -0.00 -0.00 0.20 0.72 -1.51 0.00 0.00 177.10 176.50 2d8h s PHE 36 N 1.42 1.72 0.06 2.20 -0.71 -0.96 -4.97 117.98 116.74 2d8h s PHE 36 Ca 0.05 -1.46 0.03 0.00 -1.04 0.00 0.00 56.93 54.51 2d8h s PHE 36 Cb -0.15 -0.91 -0.03 0.00 -1.21 0.00 0.00 43.02 40.72 2d8h s PHE 36 CO 0.03 -0.58 -0.10 -0.65 -1.34 0.00 0.00 175.22 172.58 2d8h s GLN 37 N -3.63 0.69 -0.65 1.99 -0.21 -1.26 -1.34 119.66 115.26 2d8h s GLN 37 Ca 0.33 -0.92 -0.33 0.00 0.02 0.00 0.00 55.36 54.46 2d8h s GLN 37 Cb 0.03 -0.50 -0.15 0.00 1.00 0.00 0.00 33.01 33.39 2d8h s GLN 37 CO 0.20 0.09 2.43 0.00 -2.12 0.00 0.00 175.29 175.89 2d8h n ALA 38 N 1.17 0.60 0.00 6.09 0.00 -1.24 0.13 120.51 127.27 2d8h n ALA 38 Ca -0.21 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2d8h n ALA 38 Cb 0.55 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.48 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 6.54 1.95 3.66 0.00 0.00 0.33 -4.92 105.19 112.76 2d8h n GLY 39 Ca 0.52 -0.61 -0.48 0.00 0.00 0.00 0.00 46.02 45.44 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 2.91 -4.68 1.61 9.92 0.12 -4.27 116.55 122.17 2d8h n ASP 40 Ca 0.00 1.06 -0.42 0.00 -0.53 0.00 0.00 54.79 54.90 2d8h n ASP 40 Cb 0.00 -1.36 -0.03 0.00 -0.64 0.00 0.00 41.12 39.09 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 1.79 4.35 -0.22 -1.24 3.00 -1.26 -2.64 118.95 122.73 2d8h s ARG 41 Ca 0.84 1.30 -0.06 0.00 0.00 0.00 0.00 55.73 57.81 2d8h s ARG 41 Cb -0.75 -3.58 -0.03 0.00 0.00 0.00 0.00 34.95 30.60 2d8h s ARG 41 CO 0.44 -0.41 0.04 0.42 0.00 0.00 0.00 175.30 175.79 2d8h s ILE 42 N 2.37 4.22 -0.78 1.52 1.01 -0.74 -4.76 121.20 124.05 2d8h s ILE 42 Ca 0.45 -0.21 -0.26 0.00 0.00 0.00 0.00 60.65 60.62 2d8h s ILE 42 Cb -0.17 -2.93 0.04 0.00 0.01 0.00 0.00 42.46 39.40 2d8h s ILE 42 CO 0.13 0.40 1.29 -0.89 0.00 0.00 0.00 174.94 175.87 2d8h s THR 43 N 1.14 3.79 -0.12 2.92 2.01 0.67 -2.95 115.64 123.10 2d8h s THR 43 Ca 0.04 0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 2d8h s THR 43 Cb -0.14 -4.93 -0.05 0.00 0.01 0.00 0.00 72.50 67.39 2d8h s THR 43 CO 0.02 -1.85 1.74 -0.69 -0.69 0.00 0.00 174.62 173.16 2d8h s VAL 44 N 5.53 3.49 -0.19 3.82 1.01 0.13 0.39 120.40 134.57 2d8h s VAL 44 Ca 0.36 0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.96 2d8h s VAL 44 Cb -0.07 -3.44 -0.16 0.00 0.00 0.00 0.00 36.38 32.71 2d8h s VAL 44 CO 0.11 -0.13 -0.11 2.30 0.00 0.00 0.00 175.10 177.27 2d8h n ILE 45 N 6.06 1.17 -3.61 2.22 -5.35 -0.28 -1.52 119.36 118.06 2d8h n ILE 45 Ca 0.19 -0.53 -0.28 0.00 -0.27 0.00 0.00 62.75 61.87 2d8h n ILE 45 Cb 0.44 -1.04 -0.16 0.00 -1.74 0.00 0.00 39.64 37.14 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 -5.72 3.04 0.26 7.28 0.15 -0.54 -4.96 113.70 113.22 2d8h s SER 46 Ca -0.22 -1.00 0.02 0.00 0.70 0.00 0.00 55.95 55.45 2d8h s SER 46 Cb 0.07 -0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 63.93 2d8h s SER 46 CO 0.54 -0.38 0.08 -1.59 1.20 0.00 0.00 173.24 173.09 2d8h s LYS 47 N 2.04 1.43 0.49 5.44 -2.85 -1.26 -0.63 119.74 124.40 2d8h s LYS 47 Ca 0.05 -1.77 0.05 0.00 -1.00 0.00 0.00 55.97 53.30 2d8h s LYS 47 Cb -0.16 -0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 35.25 2d8h s LYS 47 CO -0.21 -0.27 0.21 0.95 0.10 0.00 0.00 175.35 176.13 2d8h s THR 48 N -3.68 1.69 0.11 3.79 -4.23 -1.26 -5.04 115.64 107.02 2d8h s THR 48 Ca 0.37 -1.71 -0.17 0.00 -1.18 0.00 0.00 61.69 59.00 2d8h s THR 48 Cb 0.08 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 2d8h s THR 48 CO 0.13 0.00 1.62 0.44 -0.54 0.00 0.00 174.62 176.27 2d8h h ASP 49 N 1.14 0.50 -4.07 3.99 5.19 -2.01 -3.43 116.42 117.72 2d8h h ASP 49 Ca -0.41 -0.22 -0.50 0.00 -0.62 0.00 0.00 57.03 55.28 2d8h h ASP 49 Cb 1.29 -0.13 0.07 0.00 0.18 0.00 0.00 39.33 40.74 2d8h h ASP 49 CO 0.66 0.59 0.44 -0.94 -3.12 0.00 0.00 179.24 176.87 2d8h s SER 50 N -5.89 5.86 -0.17 6.45 1.04 -1.26 -5.00 113.70 114.74 2d8h s SER 50 Ca -0.13 2.18 -0.14 0.00 0.48 0.00 0.00 55.95 58.34 2d8h s SER 50 Cb 0.09 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.54 2d8h s SER 50 CO 0.75 -1.12 -0.08 1.41 0.98 0.00 0.00 173.24 175.17 2d8h n HIS 51 N -1.11 0.83 -0.28 5.02 8.25 -1.26 -4.32 115.22 122.36 2d8h n HIS 51 Ca 0.11 0.36 0.20 0.00 -0.26 0.00 0.00 57.72 58.13 2d8h n HIS 51 Cb 0.51 -0.86 0.38 0.00 1.12 0.00 0.00 29.99 31.13 2d8h n HIS 51 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2d8h n PHE 52 N -4.53 0.77 -0.67 4.41 7.35 -1.26 -4.01 117.46 119.52 2d8h n PHE 52 Ca -0.18 0.99 -0.31 0.00 -0.76 0.00 0.00 57.45 57.19 2d8h n PHE 52 Cb 0.45 -1.27 0.17 0.00 0.35 0.00 0.00 39.48 39.18 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 -5.02 -0.85 -4.77 -2.13 9.92 -1.26 -4.56 116.55 107.89 2d8h n ASP 53 Ca 0.26 0.26 -0.39 0.00 -0.53 0.00 0.00 54.79 54.39 2d8h n ASP 53 Cb 0.87 -1.33 -0.06 0.00 -0.64 0.00 0.00 41.12 39.96 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 -2.51 3.74 0.43 1.24 0.52 -1.26 -3.51 118.94 117.59 2d8h s TRP 54 Ca 0.64 1.28 0.07 0.00 0.02 0.00 0.00 56.10 58.11 2d8h s TRP 54 Cb -0.22 -2.61 -0.03 0.00 -1.15 0.00 0.00 33.47 29.46 2d8h s TRP 54 CO 0.62 0.42 0.30 -1.58 0.02 0.00 0.00 176.95 176.73 2d8h s TRP 55 N -0.49 2.53 -0.17 -1.98 0.51 -0.12 -4.82 118.94 114.39 2d8h s TRP 55 Ca 0.32 -0.58 0.01 0.00 -2.12 0.00 0.00 56.10 53.73 2d8h s TRP 55 Cb -0.19 -2.05 0.02 0.00 -0.81 0.00 0.00 33.47 30.44 2d8h s TRP 55 CO 0.19 -0.04 -0.17 -2.00 -0.51 0.00 0.00 176.95 174.42 2d8h s GLU 56 N -4.06 2.66 0.08 4.98 2.12 0.20 -1.01 118.70 123.68 2d8h s GLU 56 Ca 0.43 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 55.02 2d8h s GLU 56 Cb -0.00 -2.41 -0.00 0.00 0.26 0.00 0.00 34.13 31.98 2d8h s GLU 56 CO 0.25 -0.25 0.03 0.41 -0.54 0.00 0.00 175.26 175.16 2d8h n GLY 57 N 4.67 3.93 3.09 -1.50 0.00 -1.06 -1.12 105.19 113.20 2d8h n GLY 57 Ca -0.19 -1.96 -0.22 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.32 1.10 -0.09 1.61 1.02 0.16 -3.00 119.74 118.22 2d8h s LYS 58 Ca 0.04 -0.47 -0.04 0.00 0.02 0.00 0.00 55.97 55.52 2d8h s LYS 58 Cb 0.00 -1.05 0.04 0.00 -0.52 0.00 0.00 37.83 36.30 2d8h s LYS 58 CO 0.03 0.28 0.21 -1.17 -0.92 0.00 0.00 175.35 173.78 2d8h s LEU 59 N -0.27 0.45 -1.32 3.17 2.96 -0.93 -0.23 118.68 122.51 2d8h s LEU 59 Ca 0.04 0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 54.30 2d8h s LEU 59 Cb -0.06 0.59 0.00 0.00 0.50 0.00 0.00 46.19 47.23 2d8h s LEU 59 CO -0.00 -0.17 0.52 0.54 -1.32 0.00 0.00 176.35 175.92 2d8h n ARG 60 N 4.33 -2.10 -3.63 1.98 5.12 -1.26 -1.10 116.66 120.00 2d8h n ARG 60 Ca -0.24 0.35 -0.23 0.00 -1.93 0.00 0.00 57.85 55.80 2d8h n ARG 60 Cb 0.52 -4.07 0.07 0.00 -1.16 0.00 0.00 32.46 27.82 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 -1.97 -0.46 3.22 -0.13 0.00 -1.26 -5.00 105.19 99.59 2d8h n GLY 61 Ca -0.23 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -6.11 1.12 -0.03 1.61 -1.52 -0.25 -5.17 119.66 109.30 2d8h s GLN 62 Ca 0.39 -1.56 -0.03 0.00 -1.95 0.00 0.00 55.36 52.22 2d8h s GLN 62 Cb -0.18 -0.02 0.01 0.00 -0.22 0.00 0.00 33.01 32.60 2d8h s GLN 62 CO 0.76 -0.24 0.08 0.99 -0.25 0.00 0.00 175.29 176.63 2d8h s THR 63 N -3.88 -0.01 -0.08 -0.19 2.01 -1.26 -2.19 115.64 110.04 2d8h s THR 63 Ca 0.29 0.03 -0.31 0.00 0.31 0.00 0.00 61.69 62.01 2d8h s THR 63 Cb 0.07 -0.13 0.12 0.00 0.01 0.00 0.00 72.50 72.57 2d8h s THR 63 CO 0.06 0.01 1.39 -0.83 -0.69 0.00 0.00 174.62 174.56 2d8h s GLY 64 N 0.23 -0.33 0.07 4.40 0.00 -1.16 -4.73 107.32 105.80 2d8h s GLY 64 Ca -0.02 0.49 -0.00 0.00 0.00 0.00 0.00 44.72 45.20 2d8h s GLY 64 CO -0.01 3.83 0.23 -0.26 0.00 0.00 0.00 173.10 176.89 2d8h s ILE 65 N -2.03 5.37 0.00 0.90 -4.36 -1.24 -2.58 121.20 117.26 2d8h s ILE 65 Ca 0.24 -0.39 -0.29 0.00 -0.26 0.00 0.00 60.65 59.95 2d8h s ILE 65 Cb 0.03 -3.64 0.07 0.00 1.25 0.00 0.00 42.46 40.17 2d8h s ILE 65 CO -0.04 0.11 0.66 0.72 0.24 0.00 0.00 174.94 176.62 2d8h s PHE 66 N -1.54 -0.63 -0.06 1.37 -0.71 -0.18 -2.07 117.98 114.16 2d8h s PHE 66 Ca 0.35 0.92 -0.30 0.00 -1.04 0.00 0.00 56.93 56.87 2d8h s PHE 66 Cb -0.13 0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 42.08 2d8h s PHE 66 CO 0.28 -0.67 1.50 -1.25 -1.34 0.00 0.00 175.22 173.74 2d8h s PRO 67 N -1.84 4.22 0.57 1.99 0.04 -1.26 -0.95 135.00 137.77 2d8h s PRO 67 Ca -0.08 2.02 0.26 0.00 0.04 0.00 0.00 61.00 63.24 2d8h s PRO 67 Cb -0.00 -3.81 1.69 0.00 0.04 0.00 0.00 34.50 32.42 2d8h s PRO 67 CO 0.04 -0.74 2.23 0.00 0.04 0.00 0.00 177.00 178.57 2d8h h ALA 68 N 8.73 1.63 0.00 8.56 0.00 -1.69 -0.37 119.26 136.12 2d8h h ALA 68 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2d8h h ALA 68 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2d8h h ALA 68 CO 0.94 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 178.49 2d8h n ASN 69 N -4.01 0.14 -0.29 0.00 5.15 -1.26 -0.74 115.26 114.26 2d8h n ASN 69 Ca -0.03 0.55 0.12 0.00 -0.60 0.00 0.00 54.58 54.62 2d8h n ASN 69 Cb 0.09 -0.58 0.13 0.00 -0.53 0.00 0.00 39.78 38.89 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 -1.67 0.00 -4.65 1.20 4.02 -0.15 -4.95 117.16 110.95 2d8h n TYR 70 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.60 2d8h n TYR 70 Cb 0.08 -0.07 -0.08 0.00 -0.02 0.00 0.00 39.34 39.26 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 -2.62 0.87 0.10 -0.72 -7.23 0.09 0.36 120.40 111.24 2d8h s VAL 71 Ca 0.18 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.28 2d8h s VAL 71 Cb 0.18 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 2d8h s VAL 71 CO 0.62 0.00 0.17 0.28 -0.31 0.00 0.00 175.10 175.85 2d8h s THR 72 N -3.03 0.14 -0.72 5.32 -1.32 -0.54 -4.74 115.64 110.75 2d8h s THR 72 Ca 0.13 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.25 2d8h s THR 72 Cb 0.02 -1.52 0.37 0.00 -1.51 0.00 0.00 72.50 69.86 2d8h s THR 72 CO 0.08 -0.62 1.72 0.80 -2.21 0.00 0.00 174.62 174.39 2d8h n MET 73 N -0.07 3.02 -4.55 7.08 1.56 -1.26 -2.07 117.12 120.83 2d8h n MET 73 Ca -0.13 -3.87 -0.33 0.00 -0.27 0.00 0.00 57.70 53.10 2d8h n MET 73 Cb 0.62 -2.27 -0.15 0.00 2.15 0.00 0.00 33.22 33.58 2d8h n MET 73 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 2d8h s ASN 74 N -1.90 3.91 -1.30 6.12 2.47 -1.26 -5.04 114.94 117.93 2d8h s ASN 74 Ca 0.50 -0.39 -0.16 0.00 0.42 0.00 0.00 52.86 53.23 2d8h s ASN 74 Cb 0.42 -1.61 0.10 0.00 -1.45 0.00 0.00 41.25 38.71 2d8h s ASN 74 CO -0.34 0.11 1.73 -1.54 -3.72 0.00 0.00 177.10 173.34 2d8h n SER 75 N 3.92 4.89 -4.77 -4.21 3.41 -1.26 -4.64 113.62 110.96 2d8h n SER 75 Ca -0.19 -2.94 -0.37 0.00 -0.26 0.00 0.00 58.87 55.12 2d8h n SER 75 Cb 0.52 -1.67 -0.02 0.00 -0.26 0.00 0.00 64.21 62.78 2d8h n SER 75 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2d8h s GLY 76 N 3.50 2.76 0.31 5.00 0.00 -1.26 -5.00 107.32 112.64 2d8h s GLY 76 Ca 0.49 0.86 -0.29 0.00 0.00 0.00 0.00 44.72 45.79 2d8h s GLY 76 CO 0.03 1.31 1.23 2.56 0.00 0.00 0.00 173.10 178.23 2d8h s PRO 77 N -2.63 4.46 0.76 2.90 0.04 -1.26 -4.98 135.00 134.29 2d8h s PRO 77 Ca 0.62 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 63.56 2d8h s PRO 77 Cb -0.27 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2d8h s PRO 77 CO 0.33 -0.04 0.41 0.43 0.04 0.00 0.00 177.00 178.17 2d8h n SER 78 N 0.94 -1.69 -3.56 6.66 7.64 -1.26 -2.90 113.62 119.44 2d8h n SER 78 Ca -0.00 0.53 -0.22 0.00 1.01 0.00 0.00 58.87 60.19 2d8h n SER 78 Cb 0.43 -1.18 0.08 0.00 -1.01 0.00 0.00 64.21 62.53 2d8h n SER 78 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d8h n SER 79 N -0.14 -5.07 0.00 6.43 2.88 -1.26 -5.33 113.62 111.13 2d8h n SER 79 Ca 0.09 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 2d8h n SER 79 Cb 0.51 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 58.95 2d8h n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42