#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 0.92 0.00 3.17 5.02 -1.26 -5.00 118.16 121.02 1h95 n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1h95 n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 0.00 0.00 -3.38 1.97 5.02 -1.26 -4.25 118.16 116.26 1h95 n LYS 3 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 1h95 n LYS 3 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 1h95 n LYS 3 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h95 s VAL 4 N 0.00 5.22 -0.19 -0.18 1.01 -1.26 -2.58 120.40 122.42 1h95 s VAL 4 Ca 0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 1h95 s VAL 4 Cb 0.00 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 1h95 s VAL 4 CO 0.00 -0.57 -0.08 -0.38 0.00 0.00 0.00 175.10 174.06 1h95 n ILE 5 N 5.22 1.49 -3.51 2.22 -0.00 -0.90 -5.02 119.36 118.87 1h95 n ILE 5 Ca -0.12 0.03 -0.16 0.00 -0.00 0.00 0.00 62.75 62.49 1h95 n ILE 5 Cb 0.44 -2.18 -0.05 0.00 -0.00 0.00 0.00 39.64 37.84 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 -2.59 -1.75 0.09 -1.39 0.00 -1.20 -5.04 121.76 109.89 1h95 s ALA 6 Ca -0.25 1.18 0.04 0.00 0.00 0.00 0.00 51.96 52.94 1h95 s ALA 6 Cb 0.06 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1h95 s ALA 6 CO 0.42 -0.44 0.02 0.95 0.00 0.00 0.00 175.76 176.71 1h95 s THR 7 N -1.66 4.13 -0.75 0.00 -4.23 -1.26 0.34 115.64 112.20 1h95 s THR 7 Ca -0.08 -0.94 -0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1h95 s THR 7 Cb -0.00 -2.97 -0.00 0.00 1.34 0.00 0.00 72.50 70.86 1h95 s THR 7 CO 0.05 0.12 0.68 0.29 -0.54 0.00 0.00 174.62 175.23 1h95 n LYS 8 N 0.54 -1.36 -4.84 3.99 5.02 -1.16 -4.96 118.16 115.39 1h95 n LYS 8 Ca -0.10 1.38 -0.28 0.00 -2.02 0.00 0.00 58.31 57.29 1h95 n LYS 8 Cb 0.52 -5.23 -0.15 0.00 -0.02 0.00 0.00 35.03 30.16 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 -3.00 1.87 0.30 -0.18 1.01 0.11 -4.93 120.40 115.58 1h95 s VAL 9 Ca 0.00 -1.23 0.04 0.00 0.00 0.00 0.00 61.98 60.79 1h95 s VAL 9 Cb -0.00 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 1h95 s VAL 9 CO 0.77 0.33 0.04 -0.76 0.00 0.00 0.00 175.10 175.48 1h95 s LEU 10 N -1.07 2.16 0.00 3.92 1.02 -1.26 -1.22 118.68 122.23 1h95 s LEU 10 Ca 0.09 -1.33 0.00 0.00 0.02 0.00 0.00 54.13 52.91 1h95 s LEU 10 Cb -0.09 -0.35 0.00 0.00 0.02 0.00 0.00 46.19 45.77 1h95 s LEU 10 CO 0.01 -0.58 0.00 0.61 0.02 0.00 0.00 176.35 176.42 1h95 n GLY 11 N -0.61 2.83 3.29 -3.19 0.00 -1.26 -4.34 105.19 101.90 1h95 n GLY 11 Ca -0.03 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.70 2.31 -0.20 2.61 2.01 -0.30 -4.72 115.64 116.66 1h95 s THR 12 Ca 0.00 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 60.90 1h95 s THR 12 Cb 0.00 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1h95 s THR 12 CO 0.00 0.56 0.34 -0.69 -0.69 0.00 0.00 174.62 174.14 1h95 s VAL 13 N 0.03 5.25 0.07 3.82 1.01 -1.16 -1.29 120.40 128.13 1h95 s VAL 13 Ca -0.08 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 1h95 s VAL 13 Cb -0.15 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1h95 s VAL 13 CO 0.05 0.29 -0.03 1.17 0.00 0.00 0.00 175.10 176.59 1h95 n LYS 14 N 4.27 0.05 -2.85 2.72 3.00 -1.26 -4.35 118.16 119.73 1h95 n LYS 14 Ca -0.10 0.02 -0.43 0.00 -0.00 0.00 0.00 58.31 57.80 1h95 n LYS 14 Cb 0.51 -0.57 -0.04 0.00 0.00 0.00 0.00 35.03 34.93 1h95 n LYS 14 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1h95 s TRP 15 N -2.06 2.92 -0.18 5.64 0.52 -1.25 -4.99 118.94 119.54 1h95 s TRP 15 Ca -0.02 0.28 -0.09 0.00 0.02 0.00 0.00 56.10 56.28 1h95 s TRP 15 Cb 0.00 -3.92 0.06 0.00 -1.15 0.00 0.00 33.47 28.46 1h95 s TRP 15 CO 0.04 -1.12 0.42 0.12 0.02 0.00 0.00 176.95 176.43 1h95 s PHE 16 N 3.69 -0.63 -0.46 -1.98 5.36 -1.26 -2.08 117.98 120.61 1h95 s PHE 16 Ca 0.35 1.33 -0.17 0.00 -0.96 0.00 0.00 56.93 57.48 1h95 s PHE 16 Cb -0.11 0.28 0.05 0.00 -0.34 0.00 0.00 43.02 42.90 1h95 s PHE 16 CO 0.25 -0.36 0.45 1.21 -1.46 0.00 0.00 175.22 175.31 1h95 s ASN 17 N 1.50 6.18 -0.09 6.13 2.47 0.77 -4.98 114.94 126.91 1h95 s ASN 17 Ca -0.09 -0.99 -0.21 0.00 0.42 0.00 0.00 52.86 52.00 1h95 s ASN 17 Cb -0.09 -2.22 -0.28 0.00 -1.45 0.00 0.00 41.25 37.22 1h95 s ASN 17 CO -0.13 -0.66 0.70 0.58 -3.72 0.00 0.00 177.10 173.86 1h95 h VAL 18 N 5.76 1.33 0.46 -5.21 2.07 -1.96 0.48 116.25 119.18 1h95 h VAL 18 Ca -0.27 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 64.80 1h95 h VAL 18 Cb 1.11 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.83 1h95 h VAL 18 CO 0.86 0.66 -0.45 -0.09 0.02 0.00 0.00 177.57 178.57 1h95 h ARG 19 N -0.49 -0.88 -0.32 1.57 2.43 -1.97 -3.16 114.38 111.56 1h95 h ARG 19 Ca -0.20 0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 1h95 h ARG 19 Cb 1.56 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.30 1h95 h ARG 19 CO 0.07 -0.59 0.00 -0.97 -1.51 0.00 0.00 179.97 176.97 1h95 h ASN 20 N -0.91 0.55 -0.42 -3.80 -0.73 -2.02 -3.49 115.58 104.76 1h95 h ASN 20 Ca -0.06 -0.30 0.00 0.00 1.87 0.00 0.00 56.30 57.81 1h95 h ASN 20 Cb 0.79 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.23 1h95 h ASN 20 CO -0.05 0.72 0.00 0.61 -0.37 0.00 0.00 177.43 178.34 1h95 n GLY 21 N -0.35 0.86 3.24 1.57 0.00 0.10 -4.84 105.19 105.77 1h95 n GLY 21 Ca -0.02 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 1h95 n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h95 s TYR 22 N -2.14 0.03 -3.19 1.61 1.13 -0.81 -2.80 117.35 111.18 1h95 s TYR 22 Ca 0.00 -0.40 0.00 0.00 -1.41 0.00 0.00 57.07 55.26 1h95 s TYR 22 Cb 0.00 0.05 0.00 0.00 -1.10 0.00 0.00 41.96 40.91 1h95 s TYR 22 CO 0.00 -0.59 0.00 0.41 -2.51 0.00 0.00 175.55 172.86 1h95 n GLY 23 N -0.06 -0.57 3.18 5.49 0.00 -0.92 -0.16 105.19 112.14 1h95 n GLY 23 Ca -0.16 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1h95 n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1h95 s PHE 24 N -3.63 -0.05 0.24 1.61 -0.71 -0.88 -1.23 117.98 113.33 1h95 s PHE 24 Ca 0.00 0.00 0.07 0.00 -1.04 0.00 0.00 56.93 55.96 1h95 s PHE 24 Cb 0.00 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1h95 s PHE 24 CO 0.00 -0.36 0.20 0.42 -1.34 0.00 0.00 175.22 174.14 1h95 s ILE 25 N -1.62 4.50 -0.52 -4.49 1.01 0.22 -3.93 121.20 116.36 1h95 s ILE 25 Ca -0.12 -1.35 0.01 0.00 0.00 0.00 0.00 60.65 59.19 1h95 s ILE 25 Cb -0.05 -3.42 0.13 0.00 0.01 0.00 0.00 42.46 39.13 1h95 s ILE 25 CO 0.02 -0.33 0.29 0.21 0.00 0.00 0.00 174.94 175.13 1h95 s ASN 26 N -3.78 4.74 0.59 3.58 3.04 -0.41 -3.64 114.94 119.06 1h95 s ASN 26 Ca 0.33 -2.78 -0.19 0.00 0.04 0.00 0.00 52.86 50.26 1h95 s ASN 26 Cb -0.08 -1.72 -0.03 0.00 -1.54 0.00 0.00 41.25 37.87 1h95 s ASN 26 CO 0.25 -0.32 1.25 -0.60 -3.04 0.00 0.00 177.10 174.64 1h95 s ARG 27 N 0.04 2.92 0.52 0.43 3.52 -1.26 -1.15 118.95 123.97 1h95 s ARG 27 Ca 0.16 1.95 0.31 0.00 -0.13 0.00 0.00 55.73 58.01 1h95 s ARG 27 Cb -0.23 -1.97 1.18 0.00 -1.56 0.00 0.00 34.95 32.37 1h95 s ARG 27 CO -0.02 -1.28 1.91 -0.91 -0.81 0.00 0.00 175.30 174.19 1h95 h ASN 28 N 0.93 0.00 0.00 -2.12 2.35 -1.93 -3.35 115.58 111.46 1h95 h ASN 28 Ca -0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1h95 h ASN 28 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1h95 h ASN 28 CO 0.55 0.00 0.00 -0.67 -1.65 0.00 0.00 177.43 175.66 1h95 n ASP 29 N -3.04 0.00 -0.24 5.81 -0.08 -1.26 -4.63 116.55 113.12 1h95 n ASP 29 Ca 0.01 0.08 0.03 0.00 -1.51 0.00 0.00 54.79 53.41 1h95 n ASP 29 Cb 0.34 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.82 1h95 n ASP 29 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1h95 n THR 30 N -0.43 0.00 -1.71 5.18 5.66 -1.26 -4.99 114.28 116.73 1h95 n THR 30 Ca 0.00 -0.48 -0.01 0.00 -3.05 0.00 0.00 64.05 60.51 1h95 n THR 30 Cb 0.00 1.12 0.01 0.00 -1.55 0.00 0.00 70.33 69.91 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 0.16 -0.25 -3.96 1.09 4.01 -1.26 -5.04 118.16 112.92 1h95 n LYS 31 Ca 0.04 0.22 -0.35 0.00 -0.51 0.00 0.00 58.31 57.71 1h95 n LYS 31 Cb 0.16 -2.02 -0.09 0.00 -0.51 0.00 0.00 35.03 32.57 1h95 n LYS 31 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1h95 s GLU 32 N -3.13 3.90 -0.47 1.97 1.03 -1.26 -4.97 118.70 115.77 1h95 s GLU 32 Ca 0.04 -0.30 -0.25 0.00 0.03 0.00 0.00 54.97 54.49 1h95 s GLU 32 Cb -0.01 -3.22 0.03 0.00 -0.80 0.00 0.00 34.13 30.13 1h95 s GLU 32 CO 0.09 0.36 0.91 -0.51 -1.33 0.00 0.00 175.26 174.78 1h95 s ASP 33 N 0.14 6.46 -0.35 0.83 1.01 -1.26 -4.35 116.67 119.15 1h95 s ASP 33 Ca 0.06 0.02 -0.10 0.00 0.71 0.00 0.00 52.55 53.24 1h95 s ASP 33 Cb -0.12 -2.44 0.02 0.00 1.01 0.00 0.00 42.92 41.39 1h95 s ASP 33 CO 0.00 -1.06 0.17 -0.69 0.21 0.00 0.00 175.17 173.81 1h95 s VAL 34 N 3.72 4.39 0.15 -1.27 1.01 -1.24 -3.81 120.40 123.36 1h95 s VAL 34 Ca 0.35 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1h95 s VAL 34 Cb -0.11 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 1h95 s VAL 34 CO 0.25 -0.16 0.53 -0.36 0.00 0.00 0.00 175.10 175.36 1h95 s PHE 35 N 1.53 3.57 -0.03 5.22 0.08 -1.23 -0.61 117.98 126.51 1h95 s PHE 35 Ca 0.02 1.00 0.02 0.00 0.12 0.00 0.00 56.93 58.08 1h95 s PHE 35 Cb -0.19 -2.33 0.01 0.00 -0.57 0.00 0.00 43.02 39.95 1h95 s PHE 35 CO 0.06 0.41 -0.06 0.54 -0.10 0.00 0.00 175.22 176.07 1h95 s VAL 36 N -1.52 0.56 0.31 -0.44 0.11 -0.36 -1.57 120.40 117.48 1h95 s VAL 36 Ca 0.39 -0.20 0.11 0.00 -2.93 0.00 0.00 61.98 59.35 1h95 s VAL 36 Cb -0.14 -0.53 -0.06 0.00 -1.53 0.00 0.00 36.38 34.12 1h95 s VAL 36 CO 0.19 0.20 -0.14 -2.28 -3.33 0.00 0.00 175.10 169.75 1h95 s HIS 37 N 0.47 2.37 0.19 1.54 2.46 -1.26 -2.18 115.29 118.88 1h95 s HIS 37 Ca -0.06 -0.41 -0.23 0.00 0.47 0.00 0.00 55.06 54.83 1h95 s HIS 37 Cb -0.10 -1.20 0.10 0.00 -0.13 0.00 0.00 32.58 31.26 1h95 s HIS 37 CO 0.00 0.64 1.56 1.96 -2.47 0.00 0.00 174.74 176.44 1h95 h GLN 38 N 2.12 -0.12 -0.00 2.88 4.20 -1.84 -2.31 115.11 120.03 1h95 h GLN 38 Ca -0.41 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1h95 h GLN 38 Cb 1.25 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1h95 h GLN 38 CO 0.65 -0.08 -0.05 -2.37 -0.67 0.00 0.00 178.83 176.31 1h95 n THR 39 N -5.42 0.00 0.21 -0.54 5.66 -1.26 -2.80 114.28 110.14 1h95 n THR 39 Ca 0.05 -0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.15 1h95 n THR 39 Cb 0.36 -0.43 0.18 0.00 -1.55 0.00 0.00 70.33 68.89 1h95 n THR 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1h95 h ALA 40 N 3.03 0.95 -2.23 1.79 0.00 -1.73 -3.44 119.26 117.62 1h95 h ALA 40 Ca 0.00 -0.07 -0.56 0.00 0.00 0.00 0.00 54.91 54.28 1h95 h ALA 40 Cb 0.49 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1h95 h ALA 40 CO 0.00 0.10 0.65 0.42 0.00 0.00 0.00 179.25 180.41 1h95 s ILE 41 N -3.20 4.65 -0.11 0.00 1.01 -1.12 -0.89 121.20 121.54 1h95 s ILE 41 Ca 0.06 1.94 -0.15 0.00 0.00 0.00 0.00 60.65 62.51 1h95 s ILE 41 Cb 0.06 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1h95 s ILE 41 CO 0.67 -0.04 0.35 -0.54 0.00 0.00 0.00 174.94 175.39 1h95 s LYS 42 N 2.33 4.14 -0.09 2.79 -0.14 -0.25 -4.87 119.74 123.65 1h95 s LYS 42 Ca 0.49 0.24 -0.06 0.00 -1.36 0.00 0.00 55.97 55.29 1h95 s LYS 42 Cb -0.19 -3.36 0.04 0.00 -1.68 0.00 0.00 37.83 32.64 1h95 s LYS 42 CO 0.16 0.36 0.22 0.15 -0.76 0.00 0.00 175.35 175.49 1h95 s LYS 43 N 0.04 0.20 0.00 1.68 1.02 -1.26 -4.72 119.74 116.70 1h95 s LYS 43 Ca 0.20 0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.63 1h95 s LYS 43 Cb -0.14 -0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.11 1h95 s LYS 43 CO 0.08 -0.13 0.08 -1.71 -0.92 0.00 0.00 175.35 172.75 1h95 n ASN 44 N 3.86 0.00 -4.42 2.83 2.85 -1.26 -4.85 115.26 114.27 1h95 n ASN 44 Ca -0.22 0.08 -0.37 0.00 -0.11 0.00 0.00 54.58 53.96 1h95 n ASN 44 Cb 0.54 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.44 1h95 n ASN 44 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1h95 s ASN 45 N -1.16 5.20 -1.01 1.20 3.84 -1.26 -5.04 114.94 116.71 1h95 s ASN 45 Ca 0.00 -0.39 -0.23 0.00 0.21 0.00 0.00 52.86 52.45 1h95 s ASN 45 Cb 0.00 -1.93 0.02 0.00 -0.55 0.00 0.00 41.25 38.79 1h95 s ASN 45 CO 0.00 -0.10 1.63 -2.16 -2.79 0.00 0.00 177.10 173.68 1h95 s PRO 46 N 1.59 3.27 0.48 0.43 0.04 -1.26 -4.96 135.00 134.59 1h95 s PRO 46 Ca 0.05 -0.93 0.07 0.00 0.04 0.00 0.00 61.00 60.23 1h95 s PRO 46 Cb -0.16 -5.28 0.01 0.00 0.04 0.00 0.00 34.50 29.11 1h95 s PRO 46 CO 0.04 -2.62 0.42 1.03 0.04 0.00 0.00 177.00 175.90 1h95 s ARG 47 N 5.59 2.38 0.06 4.56 0.52 -1.26 -5.07 118.95 125.74 1h95 s ARG 47 Ca 0.54 -1.75 -0.27 0.00 -0.52 0.00 0.00 55.73 53.73 1h95 s ARG 47 Cb -0.02 -2.27 -0.17 0.00 0.52 0.00 0.00 34.95 33.01 1h95 s ARG 47 CO -0.05 -0.42 1.58 -0.22 0.02 0.00 0.00 175.30 176.20 1h95 h LYS 48 N 0.86 -0.40 -2.49 3.54 1.63 -2.09 -3.50 116.57 114.13 1h95 h LYS 48 Ca -0.39 0.03 0.24 0.00 -0.85 0.00 0.00 60.65 59.68 1h95 h LYS 48 Cb 1.28 0.09 -0.13 0.00 -0.60 0.00 0.00 32.23 32.87 1h95 h LYS 48 CO 0.56 -0.21 -0.90 0.66 -3.45 0.00 0.00 179.45 176.11 1h95 n TYR 49 N -5.23 -2.75 -3.29 1.91 4.02 -1.26 -4.93 117.16 105.63 1h95 n TYR 49 Ca -0.10 1.52 -0.34 0.00 -0.01 0.00 0.00 57.90 58.97 1h95 n TYR 49 Cb 0.21 -2.50 -0.06 0.00 -0.02 0.00 0.00 39.34 36.97 1h95 n TYR 49 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1h95 s LEU 50 N -6.26 4.23 -0.52 7.72 2.96 -1.26 -5.04 118.68 120.51 1h95 s LEU 50 Ca 0.00 1.12 -0.25 0.00 -0.22 0.00 0.00 54.13 54.78 1h95 s LEU 50 Cb 0.00 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 43.11 1h95 s LEU 50 CO 0.00 -0.03 0.96 -0.13 -1.32 0.00 0.00 176.35 175.84 1h95 s ARG 51 N -2.43 3.43 -0.20 1.98 1.81 -1.26 -4.85 118.95 117.42 1h95 s ARG 51 Ca 0.45 -0.04 -0.16 0.00 -1.72 0.00 0.00 55.73 54.26 1h95 s ARG 51 Cb -0.13 -4.00 -0.09 0.00 -0.45 0.00 0.00 34.95 30.28 1h95 s ARG 51 CO 0.20 -1.40 -0.23 0.45 -0.68 0.00 0.00 175.30 173.64 1h95 n SER 52 N 7.45 1.90 -4.72 0.23 2.88 -1.26 -4.99 113.62 115.12 1h95 n SER 52 Ca 0.04 0.41 -0.27 0.00 -1.33 0.00 0.00 58.87 57.73 1h95 n SER 52 Cb 0.48 -0.83 -0.07 0.00 -0.75 0.00 0.00 64.21 63.05 1h95 n SER 52 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1h95 s VAL 53 N -2.57 4.06 0.00 2.46 -7.23 -1.26 -5.00 120.40 110.86 1h95 s VAL 53 Ca -0.29 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1h95 s VAL 53 Cb 0.07 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1h95 s VAL 53 CO 0.42 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 1h95 n GLY 54 N -0.11 -1.92 3.59 2.32 0.00 -1.26 -4.94 105.19 102.87 1h95 n GLY 54 Ca -0.09 0.52 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 1h95 n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h95 s ASP 55 N -0.93 6.09 -0.27 1.61 2.15 -1.26 -2.33 116.67 121.73 1h95 s ASP 55 Ca 0.00 0.63 -0.02 0.00 0.43 0.00 0.00 52.55 53.59 1h95 s ASP 55 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1h95 s ASP 55 CO 0.00 -1.67 0.23 0.61 -0.17 0.00 0.00 175.17 174.17 1h95 n GLY 56 N 5.26 0.65 3.85 2.66 0.00 -1.26 -5.04 105.19 111.31 1h95 n GLY 56 Ca 0.16 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -5.23 3.70 0.06 1.61 -1.05 -0.98 -4.83 118.70 111.97 1h95 s GLU 57 Ca 0.11 0.91 0.04 0.00 -0.15 0.00 0.00 54.97 55.88 1h95 s GLU 57 Cb -0.05 -2.10 -0.04 0.00 -0.44 0.00 0.00 34.13 31.51 1h95 s GLU 57 CO 0.14 -0.48 -0.02 0.95 0.95 0.00 0.00 175.26 176.79 1h95 s THR 58 N -2.83 3.91 -0.11 1.83 -4.23 -1.26 -2.98 115.64 109.96 1h95 s THR 58 Ca 0.58 -0.92 -0.21 0.00 -1.18 0.00 0.00 61.69 59.96 1h95 s THR 58 Cb -0.11 -2.81 0.05 0.00 1.34 0.00 0.00 72.50 70.97 1h95 s THR 58 CO 0.41 0.21 0.53 0.54 -0.54 0.00 0.00 174.62 175.77 1h95 s VAL 59 N -1.21 0.01 0.11 2.29 0.11 -1.26 -4.76 120.40 115.70 1h95 s VAL 59 Ca 0.23 -0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 59.03 1h95 s VAL 59 Cb -0.11 -0.79 -0.06 0.00 -1.53 0.00 0.00 36.38 33.88 1h95 s VAL 59 CO 0.15 -0.07 0.49 -1.61 -3.33 0.00 0.00 175.10 170.73 1h95 s GLU 60 N -0.54 3.91 0.24 1.54 2.02 0.28 -4.49 118.70 121.66 1h95 s GLU 60 Ca -0.07 0.39 -0.12 0.00 0.02 0.00 0.00 54.97 55.19 1h95 s GLU 60 Cb -0.03 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.21 1h95 s GLU 60 CO 0.04 0.53 0.45 -0.59 0.02 0.00 0.00 175.26 175.72 1h95 s PHE 61 N -1.40 0.40 -0.11 1.61 -0.71 -0.36 -1.56 117.98 115.86 1h95 s PHE 61 Ca 0.35 -0.76 0.00 0.00 -1.04 0.00 0.00 56.93 55.48 1h95 s PHE 61 Cb -0.15 0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.78 1h95 s PHE 61 CO 0.18 -0.97 -0.11 -0.51 -1.34 0.00 0.00 175.22 172.47 1h95 s ASP 62 N -3.02 4.20 -1.01 1.98 1.01 -0.17 0.09 116.67 119.75 1h95 s ASP 62 Ca 0.23 -0.24 -0.17 0.00 0.71 0.00 0.00 52.55 53.08 1h95 s ASP 62 Cb -0.00 -1.43 0.14 0.00 1.01 0.00 0.00 42.92 42.64 1h95 s ASP 62 CO 0.09 0.23 1.22 -0.69 0.21 0.00 0.00 175.17 176.23 1h95 s VAL 63 N -0.00 4.80 -0.24 -1.27 1.01 0.15 -1.96 120.40 122.88 1h95 s VAL 63 Ca -0.03 -1.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.07 1h95 s VAL 63 Cb -0.14 -4.83 0.07 0.00 0.00 0.00 0.00 36.38 31.49 1h95 s VAL 63 CO 0.04 -1.55 0.02 0.68 0.00 0.00 0.00 175.10 174.28 1h95 s VAL 64 N 2.42 1.05 0.00 2.92 -7.23 -1.09 -2.11 120.40 116.36 1h95 s VAL 64 Ca 0.36 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1h95 s VAL 64 Cb -0.04 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.37 1h95 s VAL 64 CO -0.07 -0.29 0.00 1.21 -0.31 0.00 0.00 175.10 175.64 1h95 n GLU 65 N 4.83 0.00 0.00 4.82 4.07 -1.07 -4.23 120.64 129.06 1h95 n GLU 65 Ca -0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 1h95 n GLU 65 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 1h95 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1h95 n GLY 66 N 0.01 3.43 0.09 8.31 0.00 -1.07 -4.57 105.19 111.39 1h95 n GLY 66 Ca 0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.01 -1.66 1.61 1.02 -1.26 -4.68 120.64 115.68 1h95 n GLU 67 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 1h95 n GLU 67 Cb 0.00 -0.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.91 1h95 n GLU 67 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1h95 n LYS 68 N -2.54 3.77 0.00 3.49 2.85 -1.26 -4.92 118.16 119.55 1h95 n LYS 68 Ca -0.00 -2.75 0.00 0.00 -1.05 0.00 0.00 58.31 54.50 1h95 n LYS 68 Cb 0.01 -2.52 0.00 0.00 -0.65 0.00 0.00 35.03 31.87 1h95 n LYS 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1h95 n GLY 69 N 2.05 2.12 3.46 2.58 0.00 -1.26 -4.80 105.19 109.34 1h95 n GLY 69 Ca 0.62 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.71 2.41 0.34 4.61 0.00 -1.25 -4.17 121.76 121.99 1h95 s ALA 70 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.90 1h95 s ALA 70 Cb 0.00 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1h95 s ALA 70 CO 0.00 -0.28 0.42 -2.00 0.00 0.00 0.00 175.76 173.90 1h95 s GLU 71 N -3.87 1.88 -0.12 0.00 2.12 -1.26 -3.56 118.70 113.89 1h95 s GLU 71 Ca 0.36 -1.84 -0.05 0.00 0.36 0.00 0.00 54.97 53.80 1h95 s GLU 71 Cb 0.09 0.41 0.06 0.00 0.26 0.00 0.00 34.13 34.94 1h95 s GLU 71 CO 0.15 -0.76 0.27 0.00 -0.54 0.00 0.00 175.26 174.39 1h95 s ALA 72 N -3.14 -0.60 0.18 6.30 0.00 -0.61 -2.67 121.76 121.22 1h95 s ALA 72 Ca 0.33 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.37 1h95 s ALA 72 Cb 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 1h95 s ALA 72 CO 0.22 -0.41 -0.12 0.00 0.00 0.00 0.00 175.76 175.45 1h95 s ALA 73 N 1.81 1.78 -1.26 0.00 0.00 -0.83 -4.58 121.76 118.68 1h95 s ALA 73 Ca -0.05 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 1h95 s ALA 73 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1h95 s ALA 73 CO -0.09 -0.01 1.08 0.09 0.00 0.00 0.00 175.76 176.83 1h95 n ASN 74 N -0.31 -3.89 -4.50 0.00 3.02 -1.10 -0.99 115.26 107.50 1h95 n ASN 74 Ca -0.09 -0.58 -0.43 0.00 -0.03 0.00 0.00 54.58 53.45 1h95 n ASN 74 Cb 0.61 -5.07 -0.04 0.00 -0.61 0.00 0.00 39.78 34.66 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 -3.34 4.42 0.04 2.41 1.01 -0.07 -4.52 120.40 120.35 1h95 s VAL 75 Ca 0.25 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1h95 s VAL 75 Cb -0.11 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 1h95 s VAL 75 CO 0.73 -1.18 -0.09 -0.89 0.00 0.00 0.00 175.10 173.67 1h95 s THR 76 N 3.85 0.65 0.10 3.92 2.01 -0.60 -1.09 115.64 124.48 1h95 s THR 76 Ca 0.27 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1h95 s THR 76 Cb -0.14 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.68 1h95 s THR 76 CO 0.16 -0.28 0.07 0.61 -0.69 0.00 0.00 174.62 174.49 1h95 n GLY 77 N 1.62 3.75 3.85 4.40 0.00 -1.26 -0.56 105.19 117.00 1h95 n GLY 77 Ca -0.21 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.41 3.38 0.00 1.61 0.04 -1.26 -5.00 135.00 131.36 1h95 s PRO 78 Ca 0.10 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1h95 s PRO 78 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1h95 s PRO 78 CO 0.07 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.77