#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h95 n LYS 2 N 0.00 -6.16 0.00 0.03 5.02 -1.26 -4.90 118.16 110.89 1h95 n LYS 2 Ca 0.00 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1h95 n LYS 2 Cb 0.00 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 29.61 1h95 n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1h95 n LYS 3 N -3.96 0.58 -3.72 1.97 4.76 -1.10 -4.78 118.16 111.91 1h95 n LYS 3 Ca -0.15 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.16 1h95 n LYS 3 Cb 0.61 -0.36 -0.09 0.00 -1.84 0.00 0.00 35.03 33.35 1h95 n LYS 3 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1h95 s VAL 4 N -0.86 0.01 -0.26 -0.18 0.11 -1.24 -2.13 120.40 115.84 1h95 s VAL 4 Ca 0.00 -0.04 -0.16 0.00 -2.93 0.00 0.00 61.98 58.85 1h95 s VAL 4 Cb 0.00 -0.63 -0.14 0.00 -1.53 0.00 0.00 36.38 34.09 1h95 s VAL 4 CO 0.00 -0.02 -0.22 -0.38 -3.33 0.00 0.00 175.10 171.14 1h95 n ILE 5 N 2.64 1.53 -3.54 7.04 -0.00 -0.02 -4.43 119.36 122.58 1h95 n ILE 5 Ca -0.14 -0.29 -0.11 0.00 -0.00 0.00 0.00 62.75 62.21 1h95 n ILE 5 Cb 0.57 -1.93 -0.03 0.00 -0.00 0.00 0.00 39.64 38.25 1h95 n ILE 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1h95 s ALA 6 N -2.48 -1.36 0.12 -1.39 0.00 -1.08 -5.04 121.76 110.53 1h95 s ALA 6 Ca -0.36 0.23 0.10 0.00 0.00 0.00 0.00 51.96 51.93 1h95 s ALA 6 Cb 0.13 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 1h95 s ALA 6 CO 0.51 -0.78 -0.26 0.95 0.00 0.00 0.00 175.76 176.19 1h95 s THR 7 N -3.79 2.15 -0.65 0.00 -4.23 -1.26 0.48 115.64 108.35 1h95 s THR 7 Ca 0.03 -1.68 -0.05 0.00 -1.18 0.00 0.00 61.69 58.80 1h95 s THR 7 Cb -0.01 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.93 1h95 s THR 7 CO -0.10 0.09 0.67 0.29 -0.54 0.00 0.00 174.62 175.03 1h95 n LYS 8 N 1.03 -1.65 -4.25 3.99 5.02 -1.17 -4.93 118.16 116.19 1h95 n LYS 8 Ca -0.18 1.66 -0.22 0.00 -2.02 0.00 0.00 58.31 57.55 1h95 n LYS 8 Cb 0.53 -5.57 -0.12 0.00 -0.02 0.00 0.00 35.03 29.84 1h95 n LYS 8 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h95 s VAL 9 N -2.86 1.45 0.25 -0.18 1.01 0.10 -4.94 120.40 115.23 1h95 s VAL 9 Ca 0.08 -1.42 0.08 0.00 0.00 0.00 0.00 61.98 60.72 1h95 s VAL 9 Cb -0.02 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1h95 s VAL 9 CO 0.76 -0.12 0.10 -0.76 0.00 0.00 0.00 175.10 175.09 1h95 s LEU 10 N -1.79 3.53 0.00 3.92 2.01 -1.26 -1.41 118.68 123.68 1h95 s LEU 10 Ca 0.03 -0.42 -0.22 0.00 0.01 0.00 0.00 54.13 53.53 1h95 s LEU 10 Cb -0.10 -2.07 0.07 0.00 0.01 0.00 0.00 46.19 44.11 1h95 s LEU 10 CO 0.03 -0.01 1.03 0.61 1.01 0.00 0.00 176.35 179.02 1h95 n GLY 11 N -0.99 0.39 3.29 -3.19 0.00 -1.18 -2.04 105.19 101.46 1h95 n GLY 11 Ca -0.07 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 1h95 n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h95 s THR 12 N -2.06 2.54 0.21 2.61 2.01 -0.58 -2.67 115.64 117.69 1h95 s THR 12 Ca 0.24 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 1h95 s THR 12 Cb -0.01 -2.03 -0.08 0.00 0.01 0.00 0.00 72.50 70.39 1h95 s THR 12 CO 0.01 0.54 1.20 -0.69 -0.69 0.00 0.00 174.62 174.99 1h95 s VAL 13 N 0.39 3.47 0.00 3.82 1.01 -0.43 -0.89 120.40 127.77 1h95 s VAL 13 Ca -0.14 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1h95 s VAL 13 Cb -0.17 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1h95 s VAL 13 CO 0.07 0.22 0.00 0.29 0.00 0.00 0.00 175.10 175.68 1h95 n LYS 14 N 2.26 0.00 -4.25 2.72 4.76 -0.57 -4.38 118.16 118.70 1h95 n LYS 14 Ca 0.04 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.31 1h95 n LYS 14 Cb 0.44 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.53 1h95 n LYS 14 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1h95 s TRP 15 N 0.81 1.36 -0.06 2.13 0.51 -1.26 -4.94 118.94 117.49 1h95 s TRP 15 Ca 0.00 -0.64 -0.03 0.00 -2.12 0.00 0.00 56.10 53.32 1h95 s TRP 15 Cb 0.00 -0.69 -0.04 0.00 -0.81 0.00 0.00 33.47 31.93 1h95 s TRP 15 CO 0.00 0.14 0.07 -0.06 -0.51 0.00 0.00 176.95 176.59 1h95 s PHE 16 N -2.67 3.33 -0.35 -1.98 0.08 -1.26 -2.62 117.98 112.51 1h95 s PHE 16 Ca 0.13 0.29 0.02 0.00 0.12 0.00 0.00 56.93 57.49 1h95 s PHE 16 Cb -0.02 -1.81 0.10 0.00 -0.57 0.00 0.00 43.02 40.72 1h95 s PHE 16 CO 0.02 0.57 0.08 1.21 -0.10 0.00 0.00 175.22 177.01 1h95 s ASN 17 N -1.25 4.89 0.04 1.36 2.47 0.55 -4.96 114.94 118.03 1h95 s ASN 17 Ca 0.17 -2.08 0.10 0.00 0.42 0.00 0.00 52.86 51.47 1h95 s ASN 17 Cb -0.12 -1.68 -0.21 0.00 -1.45 0.00 0.00 41.25 37.79 1h95 s ASN 17 CO 0.07 -0.41 0.97 0.58 -3.72 0.00 0.00 177.10 174.59 1h95 h VAL 18 N 6.55 1.25 0.84 -5.21 2.07 -1.95 0.14 116.25 119.93 1h95 h VAL 18 Ca -0.07 -3.02 -0.04 0.00 0.82 0.00 0.00 66.70 64.39 1h95 h VAL 18 Cb 1.03 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1h95 h VAL 18 CO 0.56 0.71 -0.49 0.03 0.02 0.00 0.00 177.57 178.41 1h95 h ARG 19 N 0.00 -1.19 0.13 1.57 3.08 -1.96 -3.25 114.38 112.76 1h95 h ARG 19 Ca -0.15 0.08 -0.29 0.00 0.07 0.00 0.00 59.98 59.70 1h95 h ARG 19 Cb 1.88 0.27 0.02 0.00 0.08 0.00 0.00 29.97 32.22 1h95 h ARG 19 CO 0.10 -0.79 -1.24 -0.91 -1.07 0.00 0.00 179.97 176.06 1h95 h ASN 20 N -1.23 0.69 0.00 7.04 4.21 -2.03 -3.49 115.58 120.76 1h95 h ASN 20 Ca -0.11 -0.66 0.00 0.00 1.21 0.00 0.00 56.30 56.73 1h95 h ASN 20 Cb 0.98 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 1h95 h ASN 20 CO 0.13 1.49 0.00 0.61 -1.29 0.00 0.00 177.43 178.37 1h95 n GLY 21 N 1.41 0.68 3.58 2.83 0.00 -0.14 -5.06 105.19 108.48 1h95 n GLY 21 Ca -0.12 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 1h95 n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h95 s TYR 22 N -1.01 1.96 0.35 1.61 2.02 -0.20 -3.97 117.35 118.11 1h95 s TYR 22 Ca 0.00 -1.03 -0.16 0.00 -0.37 0.00 0.00 57.07 55.51 1h95 s TYR 22 Cb 0.00 -1.40 0.04 0.00 -0.40 0.00 0.00 41.96 40.20 1h95 s TYR 22 CO 0.00 0.03 0.74 0.20 -1.57 0.00 0.00 175.55 174.95 1h95 s GLY 23 N -3.67 0.34 0.03 0.71 0.00 -0.68 -0.33 107.32 103.72 1h95 s GLY 23 Ca 0.23 -0.70 -0.14 0.00 0.00 0.00 0.00 44.72 44.12 1h95 s GLY 23 CO 0.12 -0.31 0.31 -0.11 0.00 0.00 0.00 173.10 173.10 1h95 s PHE 24 N -2.82 -0.12 0.07 1.90 -0.71 -1.08 -1.55 117.98 113.67 1h95 s PHE 24 Ca 0.16 0.04 0.08 0.00 -1.04 0.00 0.00 56.93 56.16 1h95 s PHE 24 Cb -0.05 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.83 1h95 s PHE 24 CO 0.11 -0.48 -0.21 0.42 -1.34 0.00 0.00 175.22 173.72 1h95 s ILE 25 N -2.27 1.75 -0.73 -4.49 1.01 -0.09 -1.51 121.20 114.87 1h95 s ILE 25 Ca -0.07 -1.39 -0.15 0.00 0.00 0.00 0.00 60.65 59.04 1h95 s ILE 25 Cb -0.02 -1.55 0.18 0.00 0.01 0.00 0.00 42.46 41.08 1h95 s ILE 25 CO -0.02 0.10 0.69 0.21 0.00 0.00 0.00 174.94 175.92 1h95 s ASN 26 N -1.54 6.54 0.15 3.58 2.47 -0.07 -1.23 114.94 124.84 1h95 s ASN 26 Ca 0.08 -2.31 -0.31 0.00 0.42 0.00 0.00 52.86 50.74 1h95 s ASN 26 Cb -0.09 -2.22 -0.09 0.00 -1.45 0.00 0.00 41.25 37.39 1h95 s ASN 26 CO 0.03 -0.71 1.46 -0.60 -3.72 0.00 0.00 177.10 173.55 1h95 s ARG 27 N 0.86 4.28 -1.44 0.43 3.00 -0.19 -1.53 118.95 124.37 1h95 s ARG 27 Ca 0.13 2.20 -0.12 0.00 -1.00 0.00 0.00 55.73 56.94 1h95 s ARG 27 Cb -0.17 -3.20 0.05 0.00 0.00 0.00 0.00 34.95 31.63 1h95 s ARG 27 CO -0.04 -0.49 2.27 -1.71 0.00 0.00 0.00 175.30 175.32 1h95 n ASN 28 N 3.80 5.07 0.00 -2.12 5.15 -0.87 -1.79 115.26 124.50 1h95 n ASN 28 Ca 0.12 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.22 1h95 n ASN 28 Cb 0.41 -1.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.07 1h95 n ASN 28 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1h95 n ASP 29 N 5.00 0.00 -2.32 1.20 2.03 -1.26 -4.91 116.55 116.29 1h95 n ASP 29 Ca 0.54 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.77 1h95 n ASP 29 Cb 0.35 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.80 1h95 n ASP 29 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1h95 n THR 30 N -2.11 1.66 -3.15 5.18 5.66 -1.26 -4.98 114.28 115.27 1h95 n THR 30 Ca 0.00 -3.24 -0.03 0.00 -3.05 0.00 0.00 64.05 57.73 1h95 n THR 30 Cb 0.00 0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 1h95 n THR 30 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1h95 n LYS 31 N -0.58 -1.36 -4.08 1.09 4.01 -1.17 -4.99 118.16 111.09 1h95 n LYS 31 Ca 0.21 1.40 -0.35 0.00 -0.51 0.00 0.00 58.31 59.05 1h95 n LYS 31 Cb 0.88 -5.39 -0.07 0.00 -0.51 0.00 0.00 35.03 29.94 1h95 n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1h95 s GLU 32 N -3.26 3.22 -0.52 1.97 2.02 -0.74 -4.82 118.70 116.57 1h95 s GLU 32 Ca 0.01 -0.31 -0.19 0.00 0.02 0.00 0.00 54.97 54.50 1h95 s GLU 32 Cb -0.00 -2.99 0.06 0.00 0.10 0.00 0.00 34.13 31.30 1h95 s GLU 32 CO 0.77 0.72 0.65 0.34 0.02 0.00 0.00 175.26 177.76 1h95 s ASP 33 N -1.25 6.22 -0.27 -0.19 2.15 -1.26 -1.02 116.67 121.05 1h95 s ASP 33 Ca 0.18 -0.96 -0.06 0.00 0.43 0.00 0.00 52.55 52.14 1h95 s ASP 33 Cb -0.12 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1h95 s ASP 33 CO 0.07 -0.94 0.05 -0.69 -0.17 0.00 0.00 175.17 173.49 1h95 s VAL 34 N 2.72 3.86 0.09 1.11 1.01 -0.36 -4.20 120.40 124.63 1h95 s VAL 34 Ca 0.15 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 1h95 s VAL 34 Cb -0.19 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 1h95 s VAL 34 CO 0.11 0.18 0.92 0.12 0.00 0.00 0.00 175.10 176.43 1h95 s PHE 35 N 1.50 3.79 -0.12 5.22 5.36 -0.93 -0.91 117.98 131.89 1h95 s PHE 35 Ca 0.04 1.72 0.01 0.00 -0.96 0.00 0.00 56.93 57.74 1h95 s PHE 35 Cb -0.16 -3.00 0.02 0.00 -0.34 0.00 0.00 43.02 39.53 1h95 s PHE 35 CO 0.01 0.22 -0.13 0.08 -1.46 0.00 0.00 175.22 173.94 1h95 s VAL 36 N 0.01 1.37 0.42 3.12 1.01 -0.60 -2.34 120.40 123.40 1h95 s VAL 36 Ca 0.45 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1h95 s VAL 36 Cb -0.23 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1h95 s VAL 36 CO 0.28 0.42 0.55 -2.28 0.00 0.00 0.00 175.10 174.08 1h95 s HIS 37 N 1.26 2.78 0.22 5.22 2.46 -1.26 -1.68 115.29 124.29 1h95 s HIS 37 Ca -0.01 -0.41 0.30 0.00 0.47 0.00 0.00 55.06 55.40 1h95 s HIS 37 Cb -0.14 -2.36 1.30 0.00 -0.13 0.00 0.00 32.58 31.25 1h95 s HIS 37 CO -0.05 -0.40 1.97 1.96 -2.47 0.00 0.00 174.74 175.75 1h95 h GLN 38 N 0.67 0.00 0.00 2.88 4.20 -1.96 -2.27 115.11 118.63 1h95 h GLN 38 Ca -0.40 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.25 1h95 h GLN 38 Cb 1.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 1h95 h GLN 38 CO 0.46 0.11 -0.29 1.79 -0.67 0.00 0.00 178.83 180.23 1h95 h THR 39 N 0.00 0.72 0.05 -0.54 1.35 -1.95 -3.20 112.91 109.34 1h95 h THR 39 Ca -0.00 -1.25 -0.26 0.00 -0.55 0.00 0.00 66.41 64.35 1h95 h THR 39 Cb 0.52 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.72 1h95 h THR 39 CO 0.01 0.28 -1.27 0.00 -0.25 0.00 0.00 175.52 174.30 1h95 h ALA 40 N 1.71 0.34 -2.83 6.62 0.00 -1.69 -3.46 119.26 119.96 1h95 h ALA 40 Ca -0.00 -1.03 -0.51 0.00 0.00 0.00 0.00 54.91 53.37 1h95 h ALA 40 Cb 0.78 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.66 1h95 h ALA 40 CO 0.04 1.22 0.53 0.42 0.00 0.00 0.00 179.25 181.45 1h95 s ILE 41 N -2.66 3.23 0.17 0.00 1.01 -1.21 -0.80 121.20 120.94 1h95 s ILE 41 Ca -0.03 1.24 -0.19 0.00 0.00 0.00 0.00 60.65 61.67 1h95 s ILE 41 Cb 0.08 -3.79 0.10 0.00 0.01 0.00 0.00 42.46 38.87 1h95 s ILE 41 CO 0.84 0.29 1.63 0.07 0.00 0.00 0.00 174.94 177.77 1h95 h LYS 42 N 3.73 -0.12 -3.88 2.79 2.10 -1.79 -3.44 116.57 115.96 1h95 h LYS 42 Ca -0.47 0.01 -0.24 0.00 -2.00 0.00 0.00 60.65 57.94 1h95 h LYS 42 Cb 1.22 0.03 -0.27 0.00 -0.90 0.00 0.00 32.23 32.30 1h95 h LYS 42 CO 0.67 -0.08 -0.73 0.15 -2.00 0.00 0.00 179.45 177.46 1h95 s LYS 43 N -6.14 0.12 0.02 0.07 -0.14 -1.26 -5.10 119.74 107.32 1h95 s LYS 43 Ca -0.14 -0.11 0.07 0.00 -1.36 0.00 0.00 55.97 54.43 1h95 s LYS 43 Cb 0.15 -0.08 -0.02 0.00 -1.68 0.00 0.00 37.83 36.20 1h95 s LYS 43 CO 0.70 0.02 -0.20 -0.80 -0.76 0.00 0.00 175.35 174.31 1h95 s ASN 44 N -0.18 2.40 -0.29 2.83 0.01 -1.26 -5.13 114.94 113.31 1h95 s ASN 44 Ca -0.01 -0.46 -0.07 0.00 -0.71 0.00 0.00 52.86 51.60 1h95 s ASN 44 Cb -0.01 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.43 1h95 s ASN 44 CO -0.00 0.19 0.09 0.20 -1.51 0.00 0.00 177.10 176.07 1h95 s ASN 45 N -0.92 5.21 0.15 -1.22 0.01 -1.26 -4.99 114.94 111.92 1h95 s ASN 45 Ca 0.07 -0.63 -0.12 0.00 -0.71 0.00 0.00 52.86 51.48 1h95 s ASN 45 Cb -0.08 -1.91 0.01 0.00 0.41 0.00 0.00 41.25 39.68 1h95 s ASN 45 CO 0.01 -0.18 1.58 -0.65 -1.51 0.00 0.00 177.10 176.35 1h95 h PRO 46 N 8.26 0.92 0.00 -0.60 0.11 -2.01 -3.44 132.00 135.24 1h95 h PRO 46 Ca -0.32 -0.32 0.00 0.00 0.11 0.00 0.00 66.00 65.46 1h95 h PRO 46 Cb 1.13 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1h95 h PRO 46 CO 0.61 0.98 0.00 0.54 -0.21 0.00 0.00 178.00 179.91 1h95 n ARG 47 N -4.26 0.00 -1.61 1.05 1.74 -1.26 -5.09 116.66 107.23 1h95 n ARG 47 Ca 0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1h95 n ARG 47 Cb 0.36 0.00 0.17 0.00 -1.02 0.00 0.00 32.46 31.97 1h95 n ARG 47 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1h95 s LYS 48 N 0.00 0.62 0.88 5.56 0.00 -1.26 -5.02 119.74 120.52 1h95 s LYS 48 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 55.97 55.85 1h95 s LYS 48 Cb 0.00 -1.81 0.12 0.00 0.00 0.00 0.00 37.83 36.14 1h95 s LYS 48 CO 0.00 -2.49 1.09 1.52 0.00 0.00 0.00 175.35 175.47 1h95 s TYR 49 N -3.44 2.32 0.56 1.78 -0.85 -1.26 -4.86 117.35 111.60 1h95 s TYR 49 Ca 0.68 1.31 -0.03 0.00 -0.52 0.00 0.00 57.07 58.51 1h95 s TYR 49 Cb -0.10 -3.15 0.02 0.00 0.38 0.00 0.00 41.96 39.11 1h95 s TYR 49 CO 0.53 -2.34 0.84 -1.17 -1.52 0.00 0.00 175.55 171.88 1h95 s LEU 50 N -6.20 3.29 0.75 -3.49 2.96 -1.26 -5.05 118.68 109.68 1h95 s LEU 50 Ca 0.63 0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 54.89 1h95 s LEU 50 Cb -0.18 -3.28 0.04 0.00 0.50 0.00 0.00 46.19 43.27 1h95 s LEU 50 CO 0.57 -1.05 1.08 -0.13 -1.32 0.00 0.00 176.35 175.50 1h95 s ARG 51 N -4.87 2.46 0.45 1.98 0.52 -1.26 -5.02 118.95 113.21 1h95 s ARG 51 Ca 0.54 1.03 -0.23 0.00 -0.52 0.00 0.00 55.73 56.55 1h95 s ARG 51 Cb -0.10 -1.93 -0.08 0.00 0.52 0.00 0.00 34.95 33.36 1h95 s ARG 51 CO 0.42 -1.46 1.11 -1.12 0.02 0.00 0.00 175.30 174.27 1h95 s SER 52 N -3.59 6.35 0.27 0.23 0.01 -1.26 -5.06 113.70 110.65 1h95 s SER 52 Ca 0.60 2.15 0.09 0.00 1.31 0.00 0.00 55.95 60.10 1h95 s SER 52 Cb -0.16 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 1h95 s SER 52 CO 0.56 -0.78 0.08 0.68 0.41 0.00 0.00 173.24 174.19 1h95 s VAL 53 N -1.66 3.75 0.12 3.43 -7.23 -1.26 -5.14 120.40 112.40 1h95 s VAL 53 Ca 0.63 -1.71 0.10 0.00 -1.81 0.00 0.00 61.98 59.19 1h95 s VAL 53 Cb -0.24 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 1h95 s VAL 53 CO 0.30 -0.34 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.66 1h95 s GLY 54 N -3.75 1.49 -0.61 2.32 0.00 -1.26 -5.09 107.32 100.41 1h95 s GLY 54 Ca 0.33 -1.40 -0.23 0.00 0.00 0.00 0.00 44.72 43.41 1h95 s GLY 54 CO 0.22 -1.38 0.97 -0.35 0.00 0.00 0.00 173.10 172.55 1h95 s ASP 55 N -1.97 6.25 0.00 1.64 2.15 -1.26 -3.30 116.67 120.18 1h95 s ASP 55 Ca 0.12 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.45 1h95 s ASP 55 Cb -0.10 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1h95 s ASP 55 CO 0.05 -1.35 0.00 0.61 -0.17 0.00 0.00 175.17 174.31 1h95 n GLY 56 N 5.23 1.02 3.83 2.66 0.00 -1.26 -5.10 105.19 111.57 1h95 n GLY 56 Ca -0.01 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1h95 n GLY 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1h95 s GLU 57 N -0.41 3.23 0.25 1.61 -1.05 -1.21 -4.83 118.70 116.29 1h95 s GLU 57 Ca 0.00 0.97 0.06 0.00 -0.15 0.00 0.00 54.97 55.85 1h95 s GLU 57 Cb 0.00 -2.03 -0.03 0.00 -0.44 0.00 0.00 34.13 31.63 1h95 s GLU 57 CO 0.00 -0.87 0.28 0.95 0.95 0.00 0.00 175.26 176.57 1h95 s THR 58 N -2.91 4.81 -0.18 1.83 -4.23 -1.26 -1.31 115.64 112.39 1h95 s THR 58 Ca 0.59 -1.21 -0.19 0.00 -1.18 0.00 0.00 61.69 59.69 1h95 s THR 58 Cb -0.13 -3.61 0.05 0.00 1.34 0.00 0.00 72.50 70.14 1h95 s THR 58 CO 0.49 -0.34 0.53 0.54 -0.54 0.00 0.00 174.62 175.30 1h95 s VAL 59 N -2.07 0.00 0.06 2.29 0.11 -1.09 -3.83 120.40 115.87 1h95 s VAL 59 Ca 0.34 -0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 59.23 1h95 s VAL 59 Cb -0.08 -0.76 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 1h95 s VAL 59 CO 0.27 -0.02 0.43 -1.61 -3.33 0.00 0.00 175.10 170.84 1h95 s GLU 60 N 0.08 3.87 0.29 1.54 2.02 -0.74 -3.12 118.70 122.63 1h95 s GLU 60 Ca -0.02 0.34 -0.15 0.00 0.02 0.00 0.00 54.97 55.16 1h95 s GLU 60 Cb -0.04 -3.08 0.01 0.00 0.10 0.00 0.00 34.13 31.13 1h95 s GLU 60 CO 0.02 0.60 0.61 -0.59 0.02 0.00 0.00 175.26 175.92 1h95 s PHE 61 N -1.28 0.20 -0.12 1.61 -0.71 -0.50 -1.30 117.98 115.88 1h95 s PHE 61 Ca 0.30 -0.63 -0.05 0.00 -1.04 0.00 0.00 56.93 55.51 1h95 s PHE 61 Cb -0.15 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 1h95 s PHE 61 CO 0.16 -1.18 0.08 -0.51 -1.34 0.00 0.00 175.22 172.43 1h95 s ASP 62 N -3.01 5.88 -0.81 1.98 1.01 -0.55 0.00 116.67 121.18 1h95 s ASP 62 Ca 0.18 0.30 -0.16 0.00 0.71 0.00 0.00 52.55 53.58 1h95 s ASP 62 Cb -0.03 -1.85 0.17 0.00 1.01 0.00 0.00 42.92 42.22 1h95 s ASP 62 CO 0.10 0.36 0.85 -0.69 0.21 0.00 0.00 175.17 176.00 1h95 s VAL 63 N -0.74 5.23 -0.45 -1.27 1.01 0.18 -2.93 120.40 121.43 1h95 s VAL 63 Ca 0.13 -1.96 0.02 0.00 0.00 0.00 0.00 61.98 60.17 1h95 s VAL 63 Cb -0.12 -4.56 0.13 0.00 0.00 0.00 0.00 36.38 31.84 1h95 s VAL 63 CO 0.03 -1.17 0.23 0.68 0.00 0.00 0.00 175.10 174.87 1h95 s VAL 64 N 1.32 1.59 0.34 2.92 -7.23 -0.72 -0.84 120.40 117.78 1h95 s VAL 64 Ca 0.21 -2.63 0.00 0.00 -1.81 0.00 0.00 61.98 57.74 1h95 s VAL 64 Cb -0.12 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.71 1h95 s VAL 64 CO -0.06 -0.87 0.00 1.21 -0.31 0.00 0.00 175.10 175.07 1h95 n GLU 65 N 3.53 0.00 0.00 4.82 2.13 -0.90 -4.35 120.64 125.87 1h95 n GLU 65 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1h95 n GLU 65 Cb 0.34 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.05 1h95 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1h95 n GLY 66 N 0.78 2.85 0.00 8.31 0.00 -1.25 -2.70 105.19 113.18 1h95 n GLY 66 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1h95 n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h95 n GLU 67 N 0.00 0.00 0.01 1.61 -0.58 -1.26 -4.79 120.64 115.63 1h95 n GLU 67 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1h95 n GLU 67 Cb 0.00 -0.24 -0.13 0.00 -0.57 0.00 0.00 31.44 30.50 1h95 n GLU 67 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1h95 h LYS 68 N 0.00 0.02 0.00 3.49 2.10 -2.02 -3.49 116.57 116.67 1h95 h LYS 68 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1h95 h LYS 68 Cb 0.00 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1h95 h LYS 68 CO 0.00 0.72 0.00 0.41 -2.00 0.00 0.00 179.45 178.58 1h95 n GLY 69 N 1.49 2.43 3.02 0.07 0.00 -1.26 -5.17 105.19 105.78 1h95 n GLY 69 Ca -0.11 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1h95 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h95 s ALA 70 N -1.00 -0.39 0.00 4.61 0.00 -1.26 -3.89 121.76 119.83 1h95 s ALA 70 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1h95 s ALA 70 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1h95 s ALA 70 CO 0.00 -0.10 0.00 -0.85 0.00 0.00 0.00 175.76 174.81 1h95 n GLU 71 N 3.31 2.53 -3.94 0.00 0.28 -1.26 -2.20 120.64 119.37 1h95 n GLU 71 Ca -0.16 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.74 1h95 n GLU 71 Cb 0.57 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.34 1h95 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1h95 s ALA 72 N -2.00 -0.04 0.06 -1.84 0.00 -0.99 -1.76 121.76 115.19 1h95 s ALA 72 Ca 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1h95 s ALA 72 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1h95 s ALA 72 CO 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 175.76 175.57 1h95 s ALA 73 N -2.28 0.07 -1.14 0.00 0.00 -1.15 -4.71 121.76 112.54 1h95 s ALA 73 Ca -0.08 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 1h95 s ALA 73 Cb -0.03 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1h95 s ALA 73 CO -0.03 -0.38 0.79 0.09 0.00 0.00 0.00 175.76 176.22 1h95 n ASN 74 N 0.35 -5.14 -4.39 0.00 3.02 -1.15 -1.48 115.26 106.48 1h95 n ASN 74 Ca -0.16 -0.99 -0.44 0.00 -0.03 0.00 0.00 54.58 52.95 1h95 n ASN 74 Cb 0.60 -3.53 -0.04 0.00 -0.61 0.00 0.00 39.78 36.20 1h95 n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h95 s VAL 75 N -3.48 4.77 0.00 2.41 1.01 0.02 -4.17 120.40 120.95 1h95 s VAL 75 Ca 0.45 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1h95 s VAL 75 Cb -0.15 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.72 1h95 s VAL 75 CO 0.85 -1.15 0.00 0.35 0.00 0.00 0.00 175.10 175.15 1h95 n THR 76 N 5.59 0.00 -3.35 3.92 -2.24 -0.42 -2.35 114.28 115.44 1h95 n THR 76 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1h95 n THR 76 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1h95 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h95 n GLY 77 N 4.34 1.34 3.71 3.38 0.00 -1.26 -4.74 105.19 111.96 1h95 n GLY 77 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 1h95 n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h95 s PRO 78 N -1.68 0.76 0.00 1.61 0.04 -1.25 -1.79 135.00 132.68 1h95 s PRO 78 Ca 0.00 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1h95 s PRO 78 Cb 0.00 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1h95 s PRO 78 CO 0.00 -2.50 0.00 0.41 0.04 0.00 0.00 177.00 174.95