#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3njf n GLY 6 N 0.00 3.61 3.69 1.08 0.00 -1.25 -5.00 105.19 107.32 3njf n GLY 6 Ca 0.00 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 3njf n GLY 6 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3njf s LEU 7 N 0.00 4.21 -0.52 0.99 2.96 -1.20 -4.95 118.68 120.17 3njf s LEU 7 Ca 0.01 0.86 -0.17 0.00 -0.22 0.00 0.00 54.13 54.61 3njf s LEU 7 Cb -0.00 -2.84 0.08 0.00 0.50 0.00 0.00 46.19 43.94 3njf s LEU 7 CO 0.00 -0.15 0.55 0.00 -1.32 0.00 0.00 176.35 175.43 3njf s ALA 8 N 1.29 3.49 0.18 5.97 0.00 -1.26 -1.40 121.76 130.03 3njf s ALA 8 Ca 0.29 -2.09 -0.10 0.00 0.00 0.00 0.00 51.96 50.06 3njf s ALA 8 Cb -0.16 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3njf s ALA 8 CO 0.12 -2.00 0.51 -0.65 0.00 0.00 0.00 175.76 173.74 3njf s GLN 9 N 2.16 3.81 -0.11 0.00 -0.21 -0.81 -4.99 119.66 119.51 3njf s GLN 9 Ca 0.09 0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.73 3njf s GLN 9 Cb -0.24 -2.77 0.02 0.00 1.00 0.00 0.00 33.01 31.02 3njf s GLN 9 CO 0.08 0.40 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.48 3njf s PHE 10 N -1.67 1.63 0.03 0.91 0.08 -1.26 -0.54 117.98 117.15 3njf s PHE 10 Ca 0.43 -0.78 0.06 0.00 0.12 0.00 0.00 56.93 56.75 3njf s PHE 10 Cb -0.12 -1.27 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 3njf s PHE 10 CO 0.21 -0.48 -0.16 0.42 -0.10 0.00 0.00 175.22 175.11 3njf s ILE 11 N 1.35 1.31 -0.17 0.64 -1.09 0.09 -3.90 121.20 119.43 3njf s ILE 11 Ca -0.01 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.36 3njf s ILE 11 Cb -0.14 -1.15 -0.02 0.00 -1.58 0.00 0.00 42.46 39.57 3njf s ILE 11 CO -0.05 0.12 -0.05 -0.75 -1.23 0.00 0.00 174.94 172.98 3njf s LYS 12 N -1.04 3.56 -0.64 2.79 2.20 -0.49 -1.10 119.74 125.01 3njf s LYS 12 Ca 0.04 -0.57 -0.15 0.00 -0.36 0.00 0.00 55.97 54.93 3njf s LYS 12 Cb -0.08 -2.91 0.16 0.00 -1.51 0.00 0.00 37.83 33.50 3njf s LYS 12 CO 0.01 0.13 0.59 0.08 -0.36 0.00 0.00 175.35 175.80 3njf s VAL 13 N 0.65 5.34 -0.00 4.02 1.01 0.24 -1.75 120.40 129.90 3njf s VAL 13 Ca -0.03 -1.86 -0.20 0.00 0.00 0.00 0.00 61.98 59.89 3njf s VAL 13 Cb -0.15 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 3njf s VAL 13 CO 0.02 -0.93 0.56 0.20 0.00 0.00 0.00 175.10 174.96 3njf s ASN 14 N 3.05 6.94 -0.08 3.32 0.01 -0.69 -0.04 114.94 127.46 3njf s ASN 14 Ca 0.08 1.12 0.02 0.00 -0.71 0.00 0.00 52.86 53.38 3njf s ASN 14 Cb -0.23 -2.34 0.01 0.00 0.41 0.00 0.00 41.25 39.10 3njf s ASN 14 CO -0.01 0.14 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.89 3njf s VAL 15 N -0.32 1.27 0.33 1.60 1.01 -0.17 -1.07 120.40 123.04 3njf s VAL 15 Ca 0.29 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.80 3njf s VAL 15 Cb -0.18 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 3njf s VAL 15 CO 0.16 0.39 -0.03 0.42 0.00 0.00 0.00 175.10 176.04 3njf s THR 16 N 0.72 1.78 -0.11 3.92 -4.23 -0.60 -0.36 115.64 116.76 3njf s THR 16 Ca -0.13 -2.10 -0.06 0.00 -1.18 0.00 0.00 61.69 58.21 3njf s THR 16 Cb -0.16 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 3njf s THR 16 CO 0.03 -0.17 0.13 -0.76 -0.54 0.00 0.00 174.62 173.31 3njf s LEU 17 N -3.54 4.34 -0.15 4.79 1.43 -1.26 -1.01 118.68 123.28 3njf s LEU 17 Ca 0.32 0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 53.81 3njf s LEU 17 Cb 0.05 -2.08 0.07 0.00 0.03 0.00 0.00 46.19 44.27 3njf s LEU 17 CO 0.15 0.40 0.31 -1.61 0.23 0.00 0.00 176.35 175.83 3njf s GLU 18 N -1.06 0.22 -1.36 1.70 2.02 -0.09 -4.82 118.70 115.31 3njf s GLU 18 Ca 0.15 0.82 -0.04 0.00 0.02 0.00 0.00 54.97 55.92 3njf s GLU 18 Cb -0.12 0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.18 3njf s GLU 18 CO 0.04 -0.26 0.48 0.09 0.02 0.00 0.00 175.26 175.64 3njf n ASN 19 N 5.20 -5.48 0.00 -0.19 3.02 -1.26 -2.74 115.26 113.80 3njf n ASN 19 Ca -0.10 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 3njf n ASN 19 Cb 0.50 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 3njf n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3njf n GLY 20 N -1.39 0.37 3.18 7.41 0.00 -1.26 -5.01 105.19 108.50 3njf n GLY 20 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 3njf n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3njf s GLU 21 N -0.66 0.84 0.31 1.61 0.41 -1.11 -5.05 118.70 115.05 3njf s GLU 21 Ca 0.00 -0.96 -0.28 0.00 -0.41 0.00 0.00 54.97 53.32 3njf s GLU 21 Cb 0.00 -0.87 -0.09 0.00 -1.78 0.00 0.00 34.13 31.38 3njf s GLU 21 CO 0.00 0.20 1.14 -1.25 -0.49 0.00 0.00 175.26 174.85 3njf s PRO 22 N -1.72 4.48 -0.02 0.39 0.04 -1.26 -0.91 135.00 136.00 3njf s PRO 22 Ca -0.01 1.85 0.05 0.00 0.04 0.00 0.00 61.00 62.93 3njf s PRO 22 Cb -0.10 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 3njf s PRO 22 CO 0.02 0.05 -0.17 0.08 0.04 0.00 0.00 177.00 177.02 3njf s VAL 23 N -1.23 1.40 -0.19 -0.36 1.01 -0.18 -4.90 120.40 115.95 3njf s VAL 23 Ca 0.48 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3njf s VAL 23 Cb -0.32 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3njf s VAL 23 CO 0.42 0.40 -0.04 -0.36 0.00 0.00 0.00 175.10 175.52 3njf s PHE 24 N -0.29 2.97 -0.18 5.22 0.08 -1.26 -1.55 117.98 122.97 3njf s PHE 24 Ca 0.04 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.43 3njf s PHE 24 Cb -0.08 -2.05 0.04 0.00 -0.57 0.00 0.00 43.02 40.36 3njf s PHE 24 CO 0.00 -0.34 -0.11 0.42 -0.10 0.00 0.00 175.22 175.09 3njf s ILE 25 N 1.05 1.59 0.16 0.64 1.01 -0.23 -4.99 121.20 120.43 3njf s ILE 25 Ca 0.01 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 3njf s ILE 25 Cb -0.15 -1.62 -0.07 0.00 0.01 0.00 0.00 42.46 40.63 3njf s ILE 25 CO 0.00 0.26 0.58 -0.36 0.00 0.00 0.00 174.94 175.42 3njf s PHE 26 N 1.44 3.60 -0.03 3.97 0.08 -1.26 -1.70 117.98 124.07 3njf s PHE 26 Ca 0.01 1.10 0.01 0.00 0.12 0.00 0.00 56.93 58.17 3njf s PHE 26 Cb -0.15 -2.40 0.02 0.00 -0.57 0.00 0.00 43.02 39.92 3njf s PHE 26 CO -0.09 0.40 -0.04 0.99 -0.10 0.00 0.00 175.22 176.38 3njf s THR 27 N -1.50 0.48 0.80 0.64 2.01 -0.72 -0.63 115.64 116.73 3njf s THR 27 Ca 0.39 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 3njf s THR 27 Cb -0.15 -0.49 0.16 0.00 0.01 0.00 0.00 72.50 72.03 3njf s THR 27 CO 0.19 0.19 1.10 1.51 -0.69 0.00 0.00 174.62 176.93 3njf s ASP 28 N 0.63 3.92 0.47 3.53 1.47 -0.02 -1.40 116.67 125.27 3njf s ASP 28 Ca -0.08 -0.24 0.17 0.00 1.18 0.00 0.00 52.55 53.58 3njf s ASP 28 Cb -0.11 -0.00 1.16 0.00 -0.34 0.00 0.00 42.92 43.62 3njf s ASP 28 CO -0.00 -2.17 2.00 0.00 0.68 0.00 0.00 175.17 175.69 3njf h ALA 29 N -0.88 2.15 0.00 2.11 0.00 -1.90 -1.23 119.26 119.51 3njf h ALA 29 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3njf h ALA 29 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3njf h ALA 29 CO 0.38 -0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.45 3njf n ASN 30 N -4.45 0.00 0.00 0.00 3.02 -1.26 -4.90 115.26 107.67 3njf n ASN 30 Ca 0.08 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 3njf n ASN 30 Cb 0.40 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3njf n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3njf n GLY 31 N 1.11 0.69 3.82 7.41 0.00 -0.46 -5.05 105.19 112.71 3njf n GLY 31 Ca 0.12 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3njf n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3njf s GLN 32 N -0.62 4.04 0.19 1.61 -0.21 -1.26 -4.80 119.66 118.61 3njf s GLN 32 Ca 0.00 0.51 -0.33 0.00 0.02 0.00 0.00 55.36 55.56 3njf s GLN 32 Cb 0.00 -3.24 -0.13 0.00 1.00 0.00 0.00 33.01 30.63 3njf s GLN 32 CO 0.00 0.63 1.56 0.28 -2.12 0.00 0.00 175.29 175.64 3njf n VAL 33 N 1.96 0.23 -4.53 1.09 0.31 -1.26 -0.84 118.33 115.28 3njf n VAL 33 Ca -0.12 -0.06 -0.25 0.00 -0.01 0.00 0.00 64.34 63.91 3njf n VAL 33 Cb 0.52 -1.60 -0.11 0.00 -0.91 0.00 0.00 33.84 31.74 3njf n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3njf h GLN 35 N 1.96 0.00 0.00 0.00 -0.00 -1.95 -3.37 115.11 111.75 3njf h GLN 35 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 3njf h GLN 35 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.72 3njf h GLN 35 CO 0.75 0.15 0.00 0.41 0.00 0.00 0.00 178.83 180.13 3njf n GLY 36 N 0.08 3.11 3.61 2.39 0.00 -1.26 -4.93 105.19 108.18 3njf n GLY 36 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 3njf n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3njf n ASP 37 N 0.82 1.26 -4.20 1.61 9.92 -1.26 -5.05 116.55 119.65 3njf n ASP 37 Ca 0.00 1.06 -0.14 0.00 -0.53 0.00 0.00 54.79 55.17 3njf n ASP 37 Cb 0.00 -1.34 -0.11 0.00 -0.64 0.00 0.00 41.12 39.03 3njf n ASP 37 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3njf s ILE 38 N -1.25 1.01 -0.09 0.53 1.01 -1.26 -5.14 121.20 116.02 3njf s ILE 38 Ca 0.62 -1.77 0.02 0.00 0.00 0.00 0.00 60.65 59.52 3njf s ILE 38 Cb -0.58 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3njf s ILE 38 CO 0.57 -0.61 -0.16 -0.89 0.00 0.00 0.00 174.94 173.85 3njf s THR 39 N -2.71 2.86 -0.28 2.92 2.01 -1.26 -5.11 115.64 114.06 3njf s THR 39 Ca 0.09 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 3njf s THR 39 Cb -0.01 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.37 3njf s THR 39 CO 0.00 0.56 0.03 -0.69 -0.69 0.00 0.00 174.62 173.83 3njf s VAL 40 N -0.09 3.55 -0.53 3.82 1.01 -1.26 -4.96 120.40 121.94 3njf s VAL 40 Ca -0.03 -0.87 0.22 0.00 0.00 0.00 0.00 61.98 61.31 3njf s VAL 40 Cb -0.14 -2.85 -0.16 0.00 0.00 0.00 0.00 36.38 33.23 3njf s VAL 40 CO 0.04 0.09 0.91 0.35 0.00 0.00 0.00 175.10 176.48 3njf n THR 41 N 4.79 0.14 -3.93 3.92 -2.24 -1.26 -4.98 114.28 110.71 3njf n THR 41 Ca -0.15 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 3njf n THR 41 Cb 0.47 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 3njf n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njf s GLN 42 N -3.24 1.73 0.21 -0.78 -2.07 -1.26 -5.11 119.66 109.14 3njf s GLN 42 Ca 0.02 -1.20 -0.31 0.00 -1.82 0.00 0.00 55.36 52.05 3njf s GLN 42 Cb 0.14 0.54 -0.15 0.00 -1.09 0.00 0.00 33.01 32.45 3njf s GLN 42 CO 0.83 -0.76 1.11 0.00 -1.32 0.00 0.00 175.29 175.15 3njf n ALA 43 N -0.44 -0.60 0.00 2.60 0.00 -1.26 -4.69 120.51 116.13 3njf n ALA 43 Ca -0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3njf n ALA 43 Cb 0.61 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3njf n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3njf n GLY 44 N 1.78 -0.57 3.02 0.00 0.00 0.32 -3.28 105.19 106.46 3njf n GLY 44 Ca 0.13 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 3njf n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3njf s THR 45 N -3.02 0.45 -0.20 2.61 -4.23 -0.49 -1.12 115.64 109.64 3njf s THR 45 Ca 0.00 -0.74 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 3njf s THR 45 Cb 0.00 -0.48 0.03 0.00 1.34 0.00 0.00 72.50 73.39 3njf s THR 45 CO 0.00 -0.21 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.07 3njf s ILE 46 N -0.91 2.03 -0.26 2.99 1.09 -0.87 -1.92 121.20 123.34 3njf s ILE 46 Ca -0.06 -1.07 -0.11 0.00 -1.10 0.00 0.00 60.65 58.31 3njf s ILE 46 Cb -0.07 -1.92 -0.05 0.00 -1.06 0.00 0.00 42.46 39.36 3njf s ILE 46 CO 0.00 0.39 0.18 -0.89 -0.10 0.00 0.00 174.94 174.52 3njf s THR 47 N 1.27 5.29 -0.20 2.92 2.01 0.30 -1.55 115.64 125.68 3njf s THR 47 Ca 0.02 0.16 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 3njf s THR 47 Cb -0.15 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 3njf s THR 47 CO -0.11 0.29 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.79 3njf s TYR 48 N 1.50 3.03 -0.14 4.92 2.02 -0.33 -0.73 117.35 127.62 3njf s TYR 48 Ca 0.07 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.30 3njf s TYR 48 Cb -0.15 -2.07 -0.01 0.00 -0.40 0.00 0.00 41.96 39.32 3njf s TYR 48 CO 0.08 -0.24 -0.12 -1.17 -1.57 0.00 0.00 175.55 172.53 3njf s LEU 49 N 0.97 2.70 -0.07 -1.29 2.96 -0.26 -2.25 118.68 121.45 3njf s LEU 49 Ca 0.01 -0.35 -0.25 0.00 -0.22 0.00 0.00 54.13 53.32 3njf s LEU 49 Cb -0.14 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 3njf s LEU 49 CO 0.02 0.13 0.76 -0.22 -1.32 0.00 0.00 176.35 175.72 3njf s LEU 50 N 0.53 4.31 -0.53 -0.68 2.96 0.75 -0.59 118.68 125.44 3njf s LEU 50 Ca -0.08 1.27 0.04 0.00 -0.22 0.00 0.00 54.13 55.13 3njf s LEU 50 Cb -0.16 -3.18 0.13 0.00 0.50 0.00 0.00 46.19 43.48 3njf s LEU 50 CO 0.04 -0.17 0.27 0.21 -1.32 0.00 0.00 176.35 175.38 3njf s ASN 51 N 0.87 4.33 -0.37 3.68 2.47 0.94 -4.91 114.94 121.96 3njf s ASN 51 Ca 0.40 -3.05 -0.25 0.00 0.42 0.00 0.00 52.86 50.38 3njf s ASN 51 Cb -0.18 -1.63 0.01 0.00 -1.45 0.00 0.00 41.25 38.00 3njf s ASN 51 CO 0.19 -0.22 0.87 -0.62 -3.72 0.00 0.00 177.10 173.59 3njf s ASP 52 N -0.34 6.63 -0.19 -4.21 2.15 -1.26 -1.00 116.67 118.45 3njf s ASP 52 Ca 0.17 0.49 0.16 0.00 0.43 0.00 0.00 52.55 53.80 3njf s ASP 52 Cb -0.25 -2.44 0.44 0.00 -0.30 0.00 0.00 42.92 40.38 3njf s ASP 52 CO -0.01 -0.80 1.33 0.00 -0.17 0.00 0.00 175.17 175.52 3njf n GLN 53 N 6.62 2.11 0.00 4.34 6.02 0.52 -4.63 117.38 132.36 3njf n GLN 53 Ca 0.05 -2.86 0.12 0.00 -0.01 0.00 0.00 57.00 54.30 3njf n GLN 53 Cb 0.48 -1.72 0.14 0.00 1.02 0.00 0.00 30.24 30.16 3njf n GLN 53 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3njf n THR 54 N -0.96 0.00 -1.34 5.09 -2.24 -1.16 -4.50 114.28 109.16 3njf n THR 54 Ca 0.22 -0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.78 3njf n THR 54 Cb 0.82 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 3njf n THR 54 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3njf n LEU 55 N -0.90 -0.50 -1.00 3.22 4.77 -1.26 -4.83 117.00 116.49 3njf n LEU 55 Ca 0.08 0.29 0.09 0.00 -0.03 0.00 0.00 56.01 56.44 3njf n LEU 55 Cb 0.37 -2.54 0.21 0.00 -2.33 0.00 0.00 43.42 39.14 3njf n LEU 55 CO 0.33 -0.97 0.68 0.29 -1.33 0.00 0.00 177.39 176.39 3njf n LYS 56 N -1.24 2.49 -2.53 3.23 4.01 -1.26 -4.98 118.16 117.89 3njf n LYS 56 Ca -0.12 -2.23 -0.09 0.00 -0.51 0.00 0.00 58.31 55.36 3njf n LYS 56 Cb 0.56 -1.43 0.01 0.00 -0.51 0.00 0.00 35.03 33.66 3njf n LYS 56 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3njf n GLY 57 N 1.18 0.19 3.77 0.72 0.00 -1.26 -0.84 105.19 108.95 3njf n GLY 57 Ca 0.17 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 3njf n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3njf s LEU 58 N -2.92 4.42 -0.00 0.99 1.43 -1.26 -3.92 118.68 117.42 3njf s LEU 58 Ca 0.11 2.70 0.01 0.00 -1.03 0.00 0.00 54.13 55.92 3njf s LEU 58 Cb -0.05 -3.65 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 3njf s LEU 58 CO 0.14 -0.56 -0.03 -0.54 0.23 0.00 0.00 176.35 175.59 3njf s LYS 59 N -1.66 0.24 0.25 1.70 1.02 -0.88 -4.95 119.74 115.45 3njf s LYS 59 Ca 0.50 -0.09 -0.31 0.00 0.02 0.00 0.00 55.97 56.09 3njf s LYS 59 Cb -0.40 -0.24 -0.12 0.00 -0.52 0.00 0.00 37.83 36.55 3njf s LYS 59 CO 0.52 0.05 1.67 -0.06 -0.92 0.00 0.00 175.35 176.61 3njf s PHE 60 N 0.00 2.83 -0.40 3.18 0.08 0.77 -0.99 117.98 123.46 3njf s PHE 60 Ca 0.00 0.54 0.11 0.00 0.12 0.00 0.00 56.93 57.70 3njf s PHE 60 Cb -0.02 -4.11 -0.13 0.00 -0.57 0.00 0.00 43.02 38.19 3njf s PHE 60 CO -0.00 -4.01 0.41 1.33 -0.10 0.00 0.00 175.22 172.85 3njf n VAL 61 N 3.18 0.00 -0.80 -0.44 0.24 -0.53 -4.52 118.33 115.46 3njf n VAL 61 Ca 0.12 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3njf n VAL 61 Cb 0.36 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 3njf n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3njf n GLY 62 N 1.40 -2.14 3.00 7.63 0.00 -1.14 -5.03 105.19 108.90 3njf n GLY 62 Ca 0.01 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 3njf n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3njf s VAL 63 N -2.22 1.47 0.01 1.61 1.01 -1.26 -1.84 120.40 119.18 3njf s VAL 63 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3njf s VAL 63 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3njf s VAL 63 CO 0.00 0.43 0.22 -0.83 0.00 0.00 0.00 175.10 174.92 3njf s GLY 64 N 1.53 2.20 -0.02 4.51 0.00 0.19 -4.90 107.32 110.83 3njf s GLY 64 Ca 0.05 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.10 3njf s GLY 64 CO -0.10 -0.57 -0.10 -1.36 0.00 0.00 0.00 173.10 170.97 3njf s PHE 65 N -1.35 0.98 0.17 1.90 0.08 -1.26 -0.44 117.98 118.05 3njf s PHE 65 Ca 0.29 -0.23 0.05 0.00 0.12 0.00 0.00 56.93 57.15 3njf s PHE 65 Cb -0.13 -0.68 -0.01 0.00 -0.57 0.00 0.00 43.02 41.63 3njf s PHE 65 CO 0.19 -0.08 1.38 0.28 -0.10 0.00 0.00 175.22 176.88 3njf h VAL 66 N 5.27 1.55 -2.35 -0.44 2.07 -1.99 -3.32 116.25 117.03 3njf h VAL 66 Ca -0.33 -2.78 -0.63 0.00 0.82 0.00 0.00 66.70 63.78 3njf h VAL 66 Cb 1.17 2.54 -0.40 0.00 -1.52 0.00 0.00 31.29 33.08 3njf h VAL 66 CO 0.49 0.80 -0.40 0.35 0.02 0.00 0.00 177.57 178.83 3njf n THR 67 N -3.59 2.74 0.34 2.57 -2.24 -1.26 -4.91 114.28 107.93 3njf n THR 67 Ca -0.02 -5.30 0.14 0.00 -2.27 0.00 0.00 64.05 56.59 3njf n THR 67 Cb 0.82 -2.11 0.59 0.00 -2.10 0.00 0.00 70.33 67.54 3njf n THR 67 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3njf h PRO 68 N 4.42 0.00 -0.44 -0.78 0.13 -1.96 -2.67 132.00 130.70 3njf h PRO 68 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3njf h PRO 68 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3njf h PRO 68 CO 0.90 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.86 3njf n PHE 69 N -2.50 1.23 1.09 1.56 3.72 -1.26 -4.48 117.46 116.81 3njf n PHE 69 Ca 0.01 -0.71 0.12 0.00 -0.05 0.00 0.00 57.45 56.82 3njf n PHE 69 Cb 0.22 -0.28 0.59 0.00 -0.94 0.00 0.00 39.48 39.07 3njf n PHE 69 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3njf n ASP 70 N 0.34 0.00 0.00 4.37 5.68 -1.01 -4.90 116.55 121.03 3njf n ASP 70 Ca 0.22 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.55 3njf n ASP 70 Cb 0.87 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 3njf n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3njf n GLY 71 N 0.81 0.86 0.13 6.12 0.00 -1.26 -4.87 105.19 106.97 3njf n GLY 71 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 3njf n GLY 71 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3njf h ILE 72 N 0.00 0.85 -3.40 -0.61 1.08 -1.91 -3.40 117.51 110.13 3njf h ILE 72 Ca 0.00 -0.18 -0.61 0.00 -0.39 0.00 0.00 64.86 63.67 3njf h ILE 72 Cb 0.00 0.97 -0.14 0.00 -3.07 0.00 0.00 36.82 34.57 3njf h ILE 72 CO 0.00 0.04 -0.52 -0.63 -0.69 0.00 0.00 178.15 176.35 3njf s ILE 73 N -5.79 5.20 -0.05 -0.67 -1.09 -1.26 -4.64 121.20 112.90 3njf s ILE 73 Ca -0.14 0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.41 3njf s ILE 73 Cb 0.05 -3.39 -0.25 0.00 -1.58 0.00 0.00 42.46 37.28 3njf s ILE 73 CO 0.64 0.41 0.63 0.44 -1.23 0.00 0.00 174.94 175.83 3njf h ASP 74 N 7.02 0.26 -5.05 3.58 5.19 -1.31 -3.49 116.42 122.62 3njf h ASP 74 Ca -0.39 -0.48 -0.04 0.00 -0.62 0.00 0.00 57.03 55.50 3njf h ASP 74 Cb 1.16 -0.08 -0.13 0.00 0.18 0.00 0.00 39.33 40.46 3njf h ASP 74 CO 0.70 1.42 0.01 0.00 -3.12 0.00 0.00 179.24 178.26 3njf s ALA 75 N -2.59 -1.13 -0.07 3.45 0.00 -1.16 -4.99 121.76 115.27 3njf s ALA 75 Ca -0.12 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.00 3njf s ALA 75 Cb 0.07 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.93 3njf s ALA 75 CO 0.81 -0.67 -0.16 0.08 0.00 0.00 0.00 175.76 175.82 3njf s VAL 76 N -3.73 1.44 0.23 0.00 1.01 -1.26 -0.65 120.40 117.44 3njf s VAL 76 Ca 0.02 -0.68 0.11 0.00 0.00 0.00 0.00 61.98 61.43 3njf s VAL 76 Cb 0.01 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 3njf s VAL 76 CO -0.12 0.42 -0.19 0.42 0.00 0.00 0.00 175.10 175.63 3njf s THR 77 N 0.40 2.60 0.05 3.92 -4.23 0.75 -4.97 115.64 114.16 3njf s THR 77 Ca -0.13 -2.09 -0.08 0.00 -1.18 0.00 0.00 61.69 58.21 3njf s THR 77 Cb -0.15 -2.30 -0.00 0.00 1.34 0.00 0.00 72.50 71.38 3njf s THR 77 CO 0.05 -0.23 0.16 -0.51 -0.54 0.00 0.00 174.62 173.55 3njf s ILE 78 N -2.00 0.12 0.31 2.99 2.07 -1.26 -0.62 121.20 122.81 3njf s ILE 78 Ca 0.25 -1.02 -0.01 0.00 -1.41 0.00 0.00 60.65 58.45 3njf s ILE 78 Cb -0.07 -1.01 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 3njf s ILE 78 CO 0.13 -0.56 0.53 -0.94 -1.91 0.00 0.00 174.94 172.18 3njf s SER 79 N -2.27 6.35 0.58 4.50 1.04 -0.67 -4.97 113.70 118.27 3njf s SER 79 Ca -0.03 0.53 0.37 0.00 0.48 0.00 0.00 55.95 57.30 3njf s SER 79 Cb 0.00 -2.07 1.68 0.00 0.10 0.00 0.00 66.02 65.74 3njf s SER 79 CO -0.06 -0.23 2.10 0.77 0.98 0.00 0.00 173.24 176.81 3njf h SER 80 N 1.22 0.00 -0.02 7.02 4.64 -1.99 -1.61 113.55 122.80 3njf h SER 80 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3njf h SER 80 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3njf h SER 80 CO 0.64 0.01 -0.03 -0.90 -0.87 0.00 0.00 176.83 175.68 3njf n ASP 81 N -3.12 2.54 -0.07 4.97 5.68 -1.26 -4.96 116.55 120.32 3njf n ASP 81 Ca -0.01 -1.83 -0.01 0.00 -0.50 0.00 0.00 54.79 52.44 3njf n ASP 81 Cb 0.24 0.03 -0.00 0.00 -1.14 0.00 0.00 41.12 40.24 3njf n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3njf n GLY 82 N 1.31 0.38 0.12 6.12 0.00 -0.61 -4.85 105.19 107.66 3njf n GLY 82 Ca 0.15 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3njf n GLY 82 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3njf h MET 83 N 0.52 0.00 -4.62 1.61 2.86 -1.88 0.22 114.93 113.64 3njf h MET 83 Ca -0.02 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.18 3njf h MET 83 Cb 0.43 0.00 -0.31 0.00 0.06 0.00 0.00 31.60 31.78 3njf h MET 83 CO 0.03 0.00 -0.79 -0.51 1.06 0.00 0.00 176.91 176.70 3njf s LEU 84 N -4.94 1.77 -0.02 1.22 1.43 -1.26 -0.18 118.68 116.70 3njf s LEU 84 Ca 0.06 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3njf s LEU 84 Cb 0.11 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 3njf s LEU 84 CO 0.69 0.07 -0.15 0.68 0.23 0.00 0.00 176.35 177.87 3njf s VAL 85 N 0.24 1.17 0.02 -1.59 -7.23 -0.95 -1.66 120.40 110.39 3njf s VAL 85 Ca -0.04 -0.62 0.08 0.00 -1.81 0.00 0.00 61.98 59.60 3njf s VAL 85 Cb -0.09 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 3njf s VAL 85 CO 0.01 0.34 -0.25 -1.10 -0.31 0.00 0.00 175.10 173.79 3njf s GLN 86 N -0.22 1.78 -0.12 4.82 -0.21 0.21 -1.19 119.66 124.73 3njf s GLN 86 Ca 0.03 -1.00 -0.04 0.00 0.02 0.00 0.00 55.36 54.37 3njf s GLN 86 Cb -0.07 -1.87 -0.04 0.00 1.00 0.00 0.00 33.01 32.04 3njf s GLN 86 CO 0.00 0.49 0.03 -0.51 -2.12 0.00 0.00 175.29 173.18 3njf s LEU 87 N -1.01 3.71 -0.23 2.90 1.43 -0.60 -0.18 118.68 124.70 3njf s LEU 87 Ca 0.10 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 3njf s LEU 87 Cb -0.10 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 3njf s LEU 87 CO 0.01 0.31 0.23 -0.69 0.23 0.00 0.00 176.35 176.44 3njf s VAL 88 N -0.48 5.31 -0.30 -1.59 1.01 0.17 -2.05 120.40 122.47 3njf s VAL 88 Ca 0.09 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.42 3njf s VAL 88 Cb -0.12 -3.56 0.09 0.00 0.00 0.00 0.00 36.38 32.78 3njf s VAL 88 CO 0.02 0.32 0.01 -0.62 0.00 0.00 0.00 175.10 174.83 3njf s ASP 89 N 1.08 4.35 0.00 3.32 -1.08 -0.28 -1.06 116.67 123.00 3njf s ASP 89 Ca 0.11 -1.71 0.27 0.00 -0.52 0.00 0.00 52.55 50.70 3njf s ASP 89 Cb -0.14 -1.35 1.34 0.00 -1.46 0.00 0.00 42.92 41.32 3njf s ASP 89 CO 0.06 -0.33 1.93 0.18 0.52 0.00 0.00 175.17 177.53 3njf n LEU 90 N 4.50 0.00 -2.07 -1.34 4.77 -1.26 -0.52 117.00 121.08 3njf n LEU 90 Ca -0.03 0.33 -0.17 0.00 -0.03 0.00 0.00 56.01 56.10 3njf n LEU 90 Cb 0.43 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3njf n LEU 90 CO 0.19 -0.03 -0.20 -0.67 -1.33 0.00 0.00 177.39 175.35 3njf n ASP 91 N -1.33 -4.86 -0.03 -1.43 2.03 -1.26 -4.08 116.55 105.59 3njf n ASP 91 Ca 0.12 0.21 -0.15 0.00 0.52 0.00 0.00 54.79 55.49 3njf n ASP 91 Cb 0.24 -4.18 -0.12 0.00 -0.72 0.00 0.00 41.12 36.34 3njf n ASP 91 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3njf h LYS 92 N 0.00 0.11 -5.56 -0.67 6.56 -1.91 -3.45 116.57 111.65 3njf h LYS 92 Ca -0.39 -0.12 -0.62 0.00 -1.06 0.00 0.00 60.65 58.47 3njf h LYS 92 Cb 1.23 0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 32.80 3njf h LYS 92 CO 0.50 0.87 0.20 0.99 -2.06 0.00 0.00 179.45 179.95 3njf s THR 93 N -3.09 4.88 0.68 -0.16 2.01 -1.26 -5.06 115.64 113.64 3njf s THR 93 Ca -0.17 0.80 -0.11 0.00 0.31 0.00 0.00 61.69 62.52 3njf s THR 93 Cb 0.00 -4.07 -0.00 0.00 0.01 0.00 0.00 72.50 68.44 3njf s THR 93 CO 0.72 -0.25 1.07 -2.16 -0.69 0.00 0.00 174.62 173.31 3njf s PRO 94 N 2.75 3.07 0.00 4.92 0.04 -1.26 -4.66 135.00 139.85 3njf s PRO 94 Ca 0.26 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.90 3njf s PRO 94 Cb -0.14 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3njf s PRO 94 CO 0.14 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.67 3njf n GLY 95 N -2.82 0.62 3.00 0.56 0.00 -1.26 -4.97 105.19 100.32 3njf n GLY 95 Ca 0.07 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 3njf n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3njf s THR 96 N -1.06 0.38 0.05 2.61 2.01 -1.26 -5.05 115.64 113.32 3njf s THR 96 Ca 0.00 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.36 3njf s THR 96 Cb 0.00 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 3njf s THR 96 CO 0.00 -0.21 -0.11 0.28 -0.69 0.00 0.00 174.62 173.89 3njf s THR 97 N -0.87 0.87 -0.07 -0.82 -1.32 -1.26 -5.04 115.64 107.14 3njf s THR 97 Ca -0.06 -1.09 0.03 0.00 -1.21 0.00 0.00 61.69 59.35 3njf s THR 97 Cb -0.07 -0.85 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 3njf s THR 97 CO -0.00 -0.21 -0.15 -0.75 -2.21 0.00 0.00 174.62 171.30 3njf s LYS 98 N -1.46 2.71 0.23 7.08 2.20 -1.26 -5.10 119.74 124.15 3njf s LYS 98 Ca -0.04 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 3njf s LYS 98 Cb -0.09 -2.42 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 3njf s LYS 98 CO 0.01 0.51 0.15 -0.59 -0.36 0.00 0.00 175.35 175.07 3njf s PHE 99 N -0.44 1.30 0.00 4.03 -0.12 -1.26 -4.26 117.98 117.23 3njf s PHE 99 Ca 0.05 -1.40 0.00 0.00 -0.05 0.00 0.00 56.93 55.54 3njf s PHE 99 Cb -0.12 -0.63 -0.00 0.00 -0.63 0.00 0.00 43.02 41.64 3njf s PHE 99 CO 0.02 -0.63 -0.01 -0.65 -0.05 0.00 0.00 175.22 173.90 3njf s GLN 100 N -4.04 0.06 0.21 1.99 -0.21 0.41 -4.86 119.66 113.23 3njf s GLN 100 Ca 0.39 -0.08 -0.30 0.00 0.02 0.00 0.00 55.36 55.39 3njf s GLN 100 Cb 0.06 -0.02 -0.08 0.00 1.00 0.00 0.00 33.01 33.97 3njf s GLN 100 CO 0.14 0.00 1.15 -0.06 -2.12 0.00 0.00 175.29 174.41 3njf s PHE 101 N -0.16 3.50 -0.13 0.91 0.08 -1.26 0.56 117.98 121.48 3njf s PHE 101 Ca -0.01 1.54 -0.01 0.00 0.12 0.00 0.00 56.93 58.57 3njf s PHE 101 Cb -0.01 -3.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.06 3njf s PHE 101 CO -0.00 -0.89 -0.10 0.08 -0.10 0.00 0.00 175.22 174.20 3njf s VAL 102 N -0.42 3.31 0.02 -0.44 1.01 -0.76 -1.30 120.40 121.82 3njf s VAL 102 Ca 0.50 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 3njf s VAL 102 Cb -0.32 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3njf s VAL 102 CO 0.38 0.52 0.00 -0.76 0.00 0.00 0.00 175.10 175.24 3njf s LEU 103 N 0.29 2.13 0.45 3.92 1.02 0.07 -1.45 118.68 125.10 3njf s LEU 103 Ca -0.08 -0.50 -0.00 0.00 0.02 0.00 0.00 54.13 53.57 3njf s LEU 103 Cb -0.15 0.23 -0.01 0.00 0.02 0.00 0.00 46.19 46.28 3njf s LEU 103 CO 0.05 -0.35 0.68 -0.94 0.02 0.00 0.00 176.35 175.81 3njf s SER 104 N -1.62 5.87 0.14 2.29 1.04 -0.16 0.30 113.70 121.57 3njf s SER 104 Ca -0.13 0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.58 3njf s SER 104 Cb -0.08 -1.61 -0.02 0.00 0.10 0.00 0.00 66.02 64.42 3njf s SER 104 CO -0.02 -0.69 0.20 0.54 0.98 0.00 0.00 173.24 174.26 3njf s ASN 105 N -4.20 0.14 0.00 7.02 2.20 -1.26 -2.07 114.94 116.77 3njf s ASN 105 Ca 0.48 -0.95 0.22 0.00 -0.94 0.00 0.00 52.86 51.67 3njf s ASN 105 Cb -0.10 0.38 -0.05 0.00 -2.00 0.00 0.00 41.25 39.47 3njf s ASN 105 CO 0.38 -0.82 1.03 0.35 -2.94 0.00 0.00 177.10 175.11 3njf n THR 106 N -0.15 0.00 -0.00 0.54 -2.24 -0.02 -4.18 114.28 108.23 3njf n THR 106 Ca -0.08 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 3njf n THR 106 Cb 0.63 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3njf n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njf h ALA 107 N 3.26 0.54 -3.02 6.98 0.00 -1.95 -3.48 119.26 121.59 3njf h ALA 107 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 3njf h ALA 107 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3njf h ALA 107 CO 0.00 0.70 0.08 0.27 0.00 0.00 0.00 179.25 180.30 3njf n ASN 108 N -3.93 -1.34 -1.18 0.00 0.23 -1.26 -5.06 115.26 102.71 3njf n ASN 108 Ca -0.05 -2.18 0.11 0.00 -0.53 0.00 0.00 54.58 51.94 3njf n ASN 108 Cb 0.67 2.31 0.24 0.00 -2.08 0.00 0.00 39.78 40.92 3njf n ASN 108 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3njf n THR 109 N -0.38 0.68 -3.13 5.53 -2.24 -1.26 -4.47 114.28 109.01 3njf n THR 109 Ca -0.04 -0.84 -0.33 0.00 -2.27 0.00 0.00 64.05 60.57 3njf n THR 109 Cb 0.41 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 3njf n THR 109 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3njf s LEU 110 N -1.29 4.13 0.29 3.22 1.02 -1.26 -5.06 118.68 119.73 3njf s LEU 110 Ca 0.41 1.32 -0.17 0.00 0.02 0.00 0.00 54.13 55.70 3njf s LEU 110 Cb 0.23 -3.96 -0.09 0.00 0.02 0.00 0.00 46.19 42.39 3njf s LEU 110 CO 0.31 -0.15 0.74 -0.76 0.02 0.00 0.00 176.35 176.51 3njf s LEU 111 N -2.73 4.17 -0.13 1.79 1.43 -1.26 -4.50 118.68 117.44 3njf s LEU 111 Ca 0.51 1.35 -0.09 0.00 -1.03 0.00 0.00 54.13 54.88 3njf s LEU 111 Cb -0.12 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 3njf s LEU 111 CO 0.18 -0.12 0.17 -0.69 0.23 0.00 0.00 176.35 176.12 3njf s VAL 112 N -1.81 5.44 -0.05 -1.59 1.01 0.15 -4.92 120.40 118.62 3njf s VAL 112 Ca 0.50 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.80 3njf s VAL 112 Cb -0.13 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 3njf s VAL 112 CO 0.19 0.56 -0.22 -0.76 0.00 0.00 0.00 175.10 174.87 3njf s LEU 113 N -0.62 2.01 0.81 3.92 1.43 -1.26 -0.75 118.68 124.22 3njf s LEU 113 Ca 0.14 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 3njf s LEU 113 Cb -0.12 -1.22 0.08 0.00 0.03 0.00 0.00 46.19 44.96 3njf s LEU 113 CO 0.03 0.21 1.09 -0.94 0.23 0.00 0.00 176.35 176.97 3njf s SER 114 N -0.07 4.16 0.59 2.29 1.04 -0.42 -4.96 113.70 116.33 3njf s SER 114 Ca -0.04 1.72 -0.19 0.00 0.48 0.00 0.00 55.95 57.92 3njf s SER 114 Cb -0.13 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 3njf s SER 114 CO 0.03 -2.24 1.27 -2.84 0.98 0.00 0.00 173.24 170.44 3njf s PRO 115 N -4.91 2.90 0.00 4.02 0.02 -1.26 -4.65 135.00 131.12 3njf s PRO 115 Ca 0.62 2.00 0.15 0.00 0.02 0.00 0.00 61.00 63.80 3njf s PRO 115 Cb -0.17 -2.00 0.91 0.00 0.02 0.00 0.00 34.50 33.26 3njf s PRO 115 CO 0.56 -1.31 1.32 -0.40 -0.33 0.00 0.00 177.00 176.85