#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 3.45 3.70 2.61 0.00 -1.24 -5.04 105.19 108.68 3njf n GLY 6 Ca 0.00 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 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 4.22 -0.46 0.99 2.96 -1.22 -4.92 118.68 120.24 3njf s LEU 7 Ca 0.00 0.65 -0.14 0.00 -0.22 0.00 0.00 54.13 54.42 3njf s LEU 7 Cb 0.00 -2.58 0.08 0.00 0.50 0.00 0.00 46.19 44.19 3njf s LEU 7 CO 0.00 -0.03 0.36 0.00 -1.32 0.00 0.00 176.35 175.37 3njf s ALA 8 N 0.94 3.49 0.01 5.97 0.00 -1.26 -1.80 121.76 129.10 3njf s ALA 8 Ca 0.22 -2.16 -0.08 0.00 0.00 0.00 0.00 51.96 49.94 3njf s ALA 8 Cb -0.15 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 3njf s ALA 8 CO 0.08 -1.73 0.30 -0.65 0.00 0.00 0.00 175.76 173.77 3njf s GLN 9 N 1.58 3.65 -0.21 0.00 -0.21 -0.84 -4.99 119.66 118.63 3njf s GLN 9 Ca 0.04 0.04 0.01 0.00 0.02 0.00 0.00 55.36 55.46 3njf s GLN 9 Cb -0.24 -3.09 0.05 0.00 1.00 0.00 0.00 33.01 30.73 3njf s GLN 9 CO 0.05 0.65 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.73 3njf s PHE 10 N -1.27 2.37 -0.03 0.91 0.08 -1.26 -0.44 117.98 118.34 3njf s PHE 10 Ca 0.27 -1.64 0.06 0.00 0.12 0.00 0.00 56.93 55.74 3njf s PHE 10 Cb -0.14 -1.59 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 3njf s PHE 10 CO 0.15 -0.75 -0.20 0.42 -0.10 0.00 0.00 175.22 174.75 3njf s ILE 11 N 1.41 2.60 -0.14 0.64 -1.09 -0.00 -3.76 121.20 120.86 3njf s ILE 11 Ca -0.03 -0.92 -0.05 0.00 -2.23 0.00 0.00 60.65 57.42 3njf s ILE 11 Cb -0.17 -1.98 -0.04 0.00 -1.58 0.00 0.00 42.46 38.69 3njf s ILE 11 CO -0.07 0.57 0.04 -0.75 -1.23 0.00 0.00 174.94 173.50 3njf s LYS 12 N -0.72 3.55 -0.47 2.79 2.20 -0.39 -1.09 119.74 125.61 3njf s LYS 12 Ca 0.11 -0.35 -0.08 0.00 -0.36 0.00 0.00 55.97 55.29 3njf s LYS 12 Cb -0.10 -3.05 0.12 0.00 -1.51 0.00 0.00 37.83 33.29 3njf s LYS 12 CO 0.00 0.48 0.33 0.08 -0.36 0.00 0.00 175.35 175.88 3njf s VAL 13 N -0.24 4.02 -0.10 4.02 1.01 0.32 -1.59 120.40 127.84 3njf s VAL 13 Ca 0.07 -1.92 -0.17 0.00 0.00 0.00 0.00 61.98 59.96 3njf s VAL 13 Cb -0.12 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3njf s VAL 13 CO 0.02 -0.77 0.44 0.20 0.00 0.00 0.00 175.10 174.98 3njf s ASN 14 N 2.38 6.67 -0.09 3.32 0.01 -0.86 0.26 114.94 126.64 3njf s ASN 14 Ca 0.07 0.79 0.02 0.00 -0.71 0.00 0.00 52.86 53.04 3njf s ASN 14 Cb -0.25 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.16 3njf s ASN 14 CO -0.02 0.07 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.80 3njf s VAL 15 N 0.30 1.43 0.32 1.60 1.01 -0.40 -1.24 120.40 123.43 3njf s VAL 15 Ca 0.24 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3njf s VAL 15 Cb -0.15 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 3njf s VAL 15 CO 0.10 0.42 -0.01 0.42 0.00 0.00 0.00 175.10 176.03 3njf s THR 16 N 0.70 1.62 0.08 3.92 -4.23 -0.83 -0.18 115.64 116.72 3njf s THR 16 Ca -0.13 -2.07 -0.06 0.00 -1.18 0.00 0.00 61.69 58.26 3njf s THR 16 Cb -0.16 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 3njf s THR 16 CO 0.03 -0.14 0.33 -0.76 -0.54 0.00 0.00 174.62 173.54 3njf s LEU 17 N -3.52 4.33 -0.13 4.79 1.43 -1.26 -1.16 118.68 123.15 3njf s LEU 17 Ca 0.33 0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 53.95 3njf s LEU 17 Cb 0.06 -3.00 0.06 0.00 0.03 0.00 0.00 46.19 43.34 3njf s LEU 17 CO 0.15 0.15 0.29 -1.61 0.23 0.00 0.00 176.35 175.56 3njf s GLU 18 N -2.21 0.22 -1.36 1.70 2.02 0.37 -4.86 118.70 114.58 3njf s GLU 18 Ca 0.34 0.70 -0.05 0.00 0.02 0.00 0.00 54.97 55.98 3njf s GLU 18 Cb -0.13 -0.03 0.01 0.00 0.10 0.00 0.00 34.13 34.07 3njf s GLU 18 CO 0.21 -0.22 0.71 0.09 0.02 0.00 0.00 175.26 176.07 3njf n ASN 19 N 4.79 -5.80 0.00 -0.19 3.02 -1.26 -2.21 115.26 113.61 3njf n ASN 19 Ca -0.16 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 3njf n ASN 19 Cb 0.52 -4.56 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 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 -1.58 0.52 3.24 7.41 0.00 -1.26 -5.01 105.19 108.51 3njf n GLY 20 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.44 1.02 0.25 1.61 0.41 -0.94 -5.05 118.70 115.57 3njf s GLU 21 Ca 0.00 -1.22 -0.30 0.00 -0.41 0.00 0.00 54.97 53.05 3njf s GLU 21 Cb 0.00 -0.94 -0.09 0.00 -1.78 0.00 0.00 34.13 31.32 3njf s GLU 21 CO 0.00 0.19 1.16 -2.14 -0.49 0.00 0.00 175.26 173.98 3njf s PRO 22 N -2.55 4.55 -0.05 0.39 0.02 -1.26 -0.48 135.00 135.62 3njf s PRO 22 Ca 0.08 1.89 0.04 0.00 0.02 0.00 0.00 61.00 63.03 3njf s PRO 22 Cb -0.06 -3.19 -0.00 0.00 0.02 0.00 0.00 34.50 31.27 3njf s PRO 22 CO 0.03 0.05 -0.18 0.08 -0.33 0.00 0.00 177.00 176.65 3njf s VAL 23 N -0.76 1.47 -0.20 3.83 1.01 -0.31 -4.89 120.40 120.56 3njf s VAL 23 Ca 0.48 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 3njf s VAL 23 Cb -0.33 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3njf s VAL 23 CO 0.41 0.42 0.03 -0.36 0.00 0.00 0.00 175.10 175.60 3njf s PHE 24 N 0.05 3.10 -0.23 5.22 0.08 -1.26 -1.95 117.98 122.98 3njf s PHE 24 Ca -0.04 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.73 3njf s PHE 24 Cb -0.12 -2.10 0.06 0.00 -0.57 0.00 0.00 43.02 40.29 3njf s PHE 24 CO 0.02 -0.13 -0.04 0.42 -0.10 0.00 0.00 175.22 175.40 3njf s ILE 25 N 0.87 1.35 0.21 0.64 1.01 -0.37 -5.00 121.20 119.91 3njf s ILE 25 Ca 0.02 -1.11 -0.22 0.00 0.00 0.00 0.00 60.65 59.34 3njf s ILE 25 Cb -0.14 -1.67 -0.08 0.00 0.01 0.00 0.00 42.46 40.58 3njf s ILE 25 CO 0.02 -0.13 0.75 -0.36 0.00 0.00 0.00 174.94 175.22 3njf s PHE 26 N 1.48 3.73 -0.02 3.97 0.08 -1.26 -2.03 117.98 123.93 3njf s PHE 26 Ca -0.05 1.48 0.03 0.00 0.12 0.00 0.00 56.93 58.52 3njf s PHE 26 Cb -0.19 -2.68 -0.00 0.00 -0.57 0.00 0.00 43.02 39.58 3njf s PHE 26 CO -0.07 0.38 -0.10 0.99 -0.10 0.00 0.00 175.22 176.32 3njf s THR 27 N -1.42 0.84 0.67 0.64 2.01 -0.62 -1.31 115.64 116.44 3njf s THR 27 Ca 0.41 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.01 3njf s THR 27 Cb -0.19 -0.72 0.11 0.00 0.01 0.00 0.00 72.50 71.71 3njf s THR 27 CO 0.22 0.25 0.92 1.51 -0.69 0.00 0.00 174.62 176.84 3njf s ASP 28 N -0.03 4.61 0.30 3.53 1.47 -0.28 -1.26 116.67 125.01 3njf s ASP 28 Ca 0.00 -0.43 0.06 0.00 1.18 0.00 0.00 52.55 53.36 3njf s ASP 28 Cb -0.07 -0.05 0.78 0.00 -0.34 0.00 0.00 42.92 43.25 3njf s ASP 28 CO 0.00 -1.67 1.71 0.00 0.68 0.00 0.00 175.17 175.89 3njf h ALA 29 N -0.31 1.56 0.00 2.11 0.00 -1.89 -1.20 119.26 119.52 3njf h ALA 29 Ca -0.36 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3njf h ALA 29 Cb 1.27 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3njf h ALA 29 CO 0.41 -0.31 0.00 -0.91 0.00 0.00 0.00 179.25 178.44 3njf h ASN 30 N 0.47 0.00 0.00 0.00 -0.26 -1.94 -3.45 115.58 110.39 3njf h ASN 30 Ca 0.59 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.33 3njf h ASN 30 Cb 1.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.37 3njf h ASN 30 CO -0.51 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.47 3njf n GLY 31 N -0.74 0.70 3.81 2.83 0.00 -0.45 -5.06 105.19 106.28 3njf n GLY 31 Ca -0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.43 4.14 0.08 1.61 -0.21 -1.26 -4.82 119.66 118.77 3njf s GLN 32 Ca 0.00 0.64 -0.34 0.00 0.02 0.00 0.00 55.36 55.69 3njf s GLN 32 Cb 0.00 -3.25 -0.13 0.00 1.00 0.00 0.00 33.01 30.63 3njf s GLN 32 CO 0.00 0.61 1.71 0.28 -2.12 0.00 0.00 175.29 175.77 3njf n VAL 33 N 1.90 0.23 -4.54 1.09 0.31 -1.26 -1.13 118.33 114.94 3njf n VAL 33 Ca -0.11 -0.04 -0.25 0.00 -0.01 0.00 0.00 64.34 63.93 3njf n VAL 33 Cb 0.51 -1.73 -0.11 0.00 -0.91 0.00 0.00 33.84 31.61 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 2.00 0.00 0.00 0.00 -0.00 -1.94 -3.38 115.11 111.79 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 0.73 0.18 0.00 0.41 0.00 0.00 0.00 178.83 180.15 3njf n GLY 36 N 0.68 3.15 3.68 2.39 0.00 -1.26 -4.92 105.19 108.92 3njf n GLY 36 Ca 0.02 -0.95 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 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 0.70 2.81 -4.30 1.61 9.92 -1.26 -5.03 116.55 121.00 3njf n ASP 37 Ca 0.00 1.16 -0.26 0.00 -0.53 0.00 0.00 54.79 55.16 3njf n ASP 37 Cb 0.00 -1.45 -0.13 0.00 -0.64 0.00 0.00 41.12 38.90 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 -0.28 1.83 -0.16 0.53 1.01 -1.26 -5.13 121.20 117.75 3njf s ILE 38 Ca 0.65 -1.45 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 3njf s ILE 38 Cb -0.62 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3njf s ILE 38 CO 0.52 0.10 -0.01 -0.89 0.00 0.00 0.00 174.94 174.66 3njf s THR 39 N -0.99 4.12 -0.31 2.92 2.01 -1.26 -5.09 115.64 117.04 3njf s THR 39 Ca 0.09 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 3njf s THR 39 Cb -0.10 -2.81 0.04 0.00 0.01 0.00 0.00 72.50 69.65 3njf s THR 39 CO 0.03 0.49 0.04 -0.69 -0.69 0.00 0.00 174.62 173.81 3njf s VAL 40 N 0.27 3.35 -0.22 3.82 1.01 -1.26 -4.95 120.40 122.41 3njf s VAL 40 Ca -0.01 -1.25 0.13 0.00 0.00 0.00 0.00 61.98 60.86 3njf s VAL 40 Cb -0.14 -2.90 0.49 0.00 0.00 0.00 0.00 36.38 33.84 3njf s VAL 40 CO 0.02 -0.12 1.41 0.35 0.00 0.00 0.00 175.10 176.76 3njf n THR 41 N 4.71 2.37 -3.60 3.92 -2.24 -1.26 -4.97 114.28 113.20 3njf n THR 41 Ca -0.13 -2.31 -0.04 0.00 -2.27 0.00 0.00 64.05 59.30 3njf n THR 41 Cb 0.44 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.37 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 -3.02 0.51 0.13 -0.78 -2.07 -1.26 -5.11 119.66 108.06 3njf s GLN 42 Ca 0.42 -0.23 -0.35 0.00 -1.82 0.00 0.00 55.36 53.38 3njf s GLN 42 Cb 0.36 0.21 -0.15 0.00 -1.09 0.00 0.00 33.01 32.34 3njf s GLN 42 CO 0.04 -0.23 1.42 0.00 -1.32 0.00 0.00 175.29 175.20 3njf n ALA 43 N -0.26 0.01 -3.00 2.60 0.00 -1.26 -4.68 120.51 113.93 3njf n ALA 43 Ca -0.04 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3njf n ALA 43 Cb 0.60 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 2.80 1.04 3.00 0.00 0.00 -0.17 -3.37 105.19 108.50 3njf n GLY 44 Ca 0.17 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.14 0.18 -0.20 2.61 -4.23 -0.75 -1.60 115.64 109.51 3njf s THR 45 Ca 0.00 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3njf s THR 45 Cb 0.00 -0.41 0.04 0.00 1.34 0.00 0.00 72.50 73.47 3njf s THR 45 CO 0.00 -0.52 -0.12 -0.63 -0.54 0.00 0.00 174.62 172.80 3njf s ILE 46 N -1.65 1.77 -0.28 2.99 1.01 -0.78 -1.98 121.20 122.28 3njf s ILE 46 Ca -0.13 -1.05 -0.14 0.00 0.00 0.00 0.00 60.65 59.33 3njf s ILE 46 Cb -0.09 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 3njf s ILE 46 CO -0.02 0.22 0.33 -0.89 0.00 0.00 0.00 174.94 174.59 3njf s THR 47 N 1.35 5.20 -0.20 2.92 2.01 0.42 -1.42 115.64 125.92 3njf s THR 47 Ca -0.01 0.41 -0.07 0.00 0.31 0.00 0.00 61.69 62.34 3njf s THR 47 Cb -0.16 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 3njf s THR 47 CO -0.09 0.14 0.05 -0.31 -0.69 0.00 0.00 174.62 173.72 3njf s TYR 48 N 2.00 3.15 -0.15 4.92 2.02 -0.38 -0.82 117.35 128.08 3njf s TYR 48 Ca 0.13 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.68 3njf s TYR 48 Cb -0.16 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 3njf s TYR 48 CO 0.10 -0.06 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.68 3njf s LEU 49 N 0.82 2.35 -0.04 -1.29 2.96 -0.25 -2.15 118.68 121.08 3njf s LEU 49 Ca 0.03 -0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 53.12 3njf s LEU 49 Cb -0.14 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 3njf s LEU 49 CO 0.02 0.07 0.99 -0.22 -1.32 0.00 0.00 176.35 175.90 3njf s LEU 50 N 0.88 4.32 -0.55 -0.68 2.96 0.33 -0.52 118.68 125.43 3njf s LEU 50 Ca -0.05 1.62 0.02 0.00 -0.22 0.00 0.00 54.13 55.51 3njf s LEU 50 Cb -0.15 -3.56 0.14 0.00 0.50 0.00 0.00 46.19 43.11 3njf s LEU 50 CO -0.02 -0.33 0.31 0.21 -1.32 0.00 0.00 176.35 175.19 3njf s ASN 51 N 1.05 4.53 -0.42 3.68 2.47 0.14 -4.91 114.94 121.48 3njf s ASN 51 Ca 0.51 -3.00 -0.25 0.00 0.42 0.00 0.00 52.86 50.54 3njf s ASN 51 Cb -0.20 -1.69 0.02 0.00 -1.45 0.00 0.00 41.25 37.93 3njf s ASN 51 CO 0.24 -0.26 0.88 -0.62 -3.72 0.00 0.00 177.10 173.63 3njf s ASP 52 N -0.10 6.55 -0.16 -4.21 2.15 -1.26 -1.27 116.67 118.36 3njf s ASP 52 Ca 0.17 0.26 0.16 0.00 0.43 0.00 0.00 52.55 53.57 3njf s ASP 52 Cb -0.24 -2.44 0.52 0.00 -0.30 0.00 0.00 42.92 40.46 3njf s ASP 52 CO -0.01 -0.92 1.42 0.00 -0.17 0.00 0.00 175.17 175.49 3njf n GLN 53 N 6.86 3.02 0.00 4.34 6.02 0.74 -4.60 117.38 133.76 3njf n GLN 53 Ca 0.05 -2.78 0.12 0.00 -0.01 0.00 0.00 57.00 54.39 3njf n GLN 53 Cb 0.48 -1.80 0.26 0.00 1.02 0.00 0.00 30.24 30.20 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 -0.33 0.00 -1.21 5.09 -2.24 -1.17 -4.55 114.28 109.86 3njf n THR 54 Ca 0.21 -0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.86 3njf n THR 54 Cb 0.86 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.16 -0.01 -1.24 3.22 4.77 -1.26 -4.84 117.00 116.48 3njf n LEU 55 Ca 0.08 0.18 0.10 0.00 -0.03 0.00 0.00 56.01 56.33 3njf n LEU 55 Cb 0.34 -2.35 0.29 0.00 -2.33 0.00 0.00 43.42 39.38 3njf n LEU 55 CO 0.32 -0.89 0.75 0.29 -1.33 0.00 0.00 177.39 176.53 3njf n LYS 56 N -0.73 3.07 -3.35 3.23 4.01 -1.26 -4.98 118.16 118.15 3njf n LYS 56 Ca -0.07 -2.61 -0.19 0.00 -0.51 0.00 0.00 58.31 54.94 3njf n LYS 56 Cb 0.49 -1.61 0.06 0.00 -0.51 0.00 0.00 35.03 33.47 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 1.14 -0.23 3.77 0.72 0.00 -1.26 -1.00 105.19 108.33 3njf n GLY 57 Ca 0.22 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.94 4.44 -0.02 0.99 1.43 -1.26 -3.76 118.68 114.56 3njf s LEU 58 Ca 0.43 2.63 -0.01 0.00 -1.03 0.00 0.00 54.13 56.15 3njf s LEU 58 Cb -0.19 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.38 3njf s LEU 58 CO 0.58 -0.49 0.04 -0.54 0.23 0.00 0.00 176.35 176.16 3njf s LYS 59 N -1.76 0.03 0.23 1.70 1.02 -0.91 -4.96 119.74 115.09 3njf s LYS 59 Ca 0.49 0.08 -0.31 0.00 0.02 0.00 0.00 55.97 56.25 3njf s LYS 59 Cb -0.39 -0.04 -0.10 0.00 -0.52 0.00 0.00 37.83 36.79 3njf s LYS 59 CO 0.51 -0.04 1.53 -0.06 -0.92 0.00 0.00 175.35 176.37 3njf s PHE 60 N 0.25 2.97 -0.57 3.18 0.08 0.61 -1.10 117.98 123.39 3njf s PHE 60 Ca -0.02 0.82 0.10 0.00 0.12 0.00 0.00 56.93 57.95 3njf s PHE 60 Cb -0.03 -3.92 -0.07 0.00 -0.57 0.00 0.00 43.02 38.43 3njf s PHE 60 CO -0.01 -3.17 0.46 1.33 -0.10 0.00 0.00 175.22 173.73 3njf n VAL 61 N 2.87 0.00 0.00 -0.44 0.24 -0.48 -4.50 118.33 116.02 3njf n VAL 61 Ca 0.10 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3njf n VAL 61 Cb 0.39 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 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 1.13 -0.88 3.03 7.63 0.00 -1.13 -5.02 105.19 109.95 3njf n GLY 62 Ca 0.02 -1.21 -0.30 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 -2.00 1.54 0.05 1.61 1.01 -1.26 -1.96 120.40 119.39 3njf s VAL 63 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3njf s VAL 63 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3njf s VAL 63 CO 0.00 0.45 0.15 -0.83 0.00 0.00 0.00 175.10 174.87 3njf s GLY 64 N 1.34 2.11 -0.03 4.51 0.00 0.85 -4.92 107.32 111.18 3njf s GLY 64 Ca 0.01 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3njf s GLY 64 CO -0.08 -0.86 -0.02 -1.36 0.00 0.00 0.00 173.10 170.78 3njf s PHE 65 N -1.41 0.47 0.23 1.90 0.08 -1.26 -0.76 117.98 117.23 3njf s PHE 65 Ca 0.31 -0.08 0.11 0.00 0.12 0.00 0.00 56.93 57.39 3njf s PHE 65 Cb -0.13 -0.46 0.31 0.00 -0.57 0.00 0.00 43.02 42.17 3njf s PHE 65 CO 0.23 -0.13 1.58 0.28 -0.10 0.00 0.00 175.22 177.09 3njf h VAL 66 N 6.00 1.41 -2.24 -0.44 2.07 -1.99 -3.29 116.25 117.77 3njf h VAL 66 Ca -0.39 -2.23 -0.60 0.00 0.82 0.00 0.00 66.70 64.30 3njf h VAL 66 Cb 1.15 2.22 -0.42 0.00 -1.52 0.00 0.00 31.29 32.72 3njf h VAL 66 CO 0.48 0.63 -0.56 0.35 0.02 0.00 0.00 177.57 178.49 3njf n THR 67 N -3.71 2.70 0.30 2.57 -2.24 -1.26 -4.93 114.28 107.72 3njf n THR 67 Ca -0.01 -5.37 0.19 0.00 -2.27 0.00 0.00 64.05 56.60 3njf n THR 67 Cb 0.65 -1.87 0.95 0.00 -2.10 0.00 0.00 70.33 67.95 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 3.82 0.00 -0.52 -0.78 0.13 -1.96 -2.49 132.00 130.20 3njf h PRO 68 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3njf h PRO 68 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 3njf h PRO 68 CO 0.85 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.81 3njf n PHE 69 N -2.91 0.71 0.31 1.56 3.72 -1.26 -4.41 117.46 115.18 3njf n PHE 69 Ca -0.01 -0.51 0.03 0.00 -0.05 0.00 0.00 57.45 56.91 3njf n PHE 69 Cb 0.14 -0.02 0.17 0.00 -0.94 0.00 0.00 39.48 38.82 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 1.01 0.00 0.00 4.37 5.68 -0.94 -4.88 116.55 121.79 3njf n ASP 70 Ca 0.18 0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.62 3njf n ASP 70 Cb 0.52 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.73 0.12 0.13 6.12 0.00 -1.26 -4.86 105.19 104.72 3njf n GLY 71 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 1.29 -3.31 -0.61 1.08 -1.89 -3.42 117.51 110.66 3njf h ILE 72 Ca 0.00 -1.03 -0.61 0.00 -0.39 0.00 0.00 64.86 62.83 3njf h ILE 72 Cb 0.71 1.62 -0.14 0.00 -3.07 0.00 0.00 36.82 35.93 3njf h ILE 72 CO 0.00 0.31 -0.53 -0.63 -0.69 0.00 0.00 178.15 176.61 3njf s ILE 73 N -4.71 5.07 -0.09 -0.67 -1.09 -1.26 -4.64 121.20 113.80 3njf s ILE 73 Ca -0.14 0.07 0.15 0.00 -2.23 0.00 0.00 60.65 58.50 3njf s ILE 73 Cb 0.06 -3.30 -0.22 0.00 -1.58 0.00 0.00 42.46 37.42 3njf s ILE 73 CO 0.74 0.44 0.57 0.47 -1.23 0.00 0.00 174.94 175.93 3njf n ASP 74 N 3.60 0.67 -3.49 3.58 8.00 -0.31 -4.99 116.55 123.62 3njf n ASP 74 Ca -0.16 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.52 3njf n ASP 74 Cb 0.52 0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.84 3njf n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3njf s ALA 75 N -2.67 -1.49 -0.06 2.24 0.00 -1.14 -5.00 121.76 113.64 3njf s ALA 75 Ca -0.05 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.53 3njf s ALA 75 Cb 0.08 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 3njf s ALA 75 CO 0.83 -0.65 -0.23 0.08 0.00 0.00 0.00 175.76 175.79 3njf s VAL 76 N -3.14 1.93 0.19 0.00 1.01 -1.26 -0.95 120.40 118.18 3njf s VAL 76 Ca -0.02 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.09 3njf s VAL 76 Cb -0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3njf s VAL 76 CO -0.07 0.54 -0.24 0.42 0.00 0.00 0.00 175.10 175.74 3njf s THR 77 N -0.05 2.35 0.03 3.92 -4.23 0.12 -4.96 115.64 112.83 3njf s THR 77 Ca -0.06 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.41 3njf s THR 77 Cb -0.14 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.55 3njf s THR 77 CO 0.04 -0.11 -0.01 -0.51 -0.54 0.00 0.00 174.62 173.49 3njf s ILE 78 N -1.66 0.14 0.35 2.99 2.07 -1.26 -0.17 121.20 123.66 3njf s ILE 78 Ca 0.21 -1.19 -0.03 0.00 -1.41 0.00 0.00 60.65 58.23 3njf s ILE 78 Cb -0.08 -0.71 -0.04 0.00 0.13 0.00 0.00 42.46 41.76 3njf s ILE 78 CO 0.10 -0.66 0.60 -0.94 -1.91 0.00 0.00 174.94 172.13 3njf s SER 79 N -1.97 6.34 0.56 4.50 1.04 -0.50 -4.97 113.70 118.70 3njf s SER 79 Ca -0.08 0.64 0.33 0.00 0.48 0.00 0.00 55.95 57.32 3njf s SER 79 Cb -0.04 -2.11 1.56 0.00 0.10 0.00 0.00 66.02 65.53 3njf s SER 79 CO -0.04 -0.31 2.07 0.77 0.98 0.00 0.00 173.24 176.71 3njf h SER 80 N 0.99 0.00 -0.09 7.02 4.64 -1.99 -0.99 113.55 123.13 3njf h SER 80 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 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 0.63 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.75 3njf n ASP 81 N -3.28 2.37 -0.36 4.97 5.68 -1.26 -4.96 116.55 119.72 3njf n ASP 81 Ca -0.01 -1.79 -0.05 0.00 -0.50 0.00 0.00 54.79 52.44 3njf n ASP 81 Cb 0.25 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.16 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 1.28 0.62 0.03 6.12 0.00 -0.38 -4.83 105.19 108.03 3njf n GLY 82 Ca 0.17 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3njf n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3njf n MET 83 N -1.26 0.10 -3.80 1.61 2.81 -1.26 -0.29 117.12 115.04 3njf n MET 83 Ca -0.05 0.04 -0.14 0.00 -1.81 0.00 0.00 57.70 55.74 3njf n MET 83 Cb 0.36 -1.58 -0.15 0.00 -0.71 0.00 0.00 33.22 31.14 3njf n MET 83 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3njf s LEU 84 N -3.47 1.31 -0.01 4.03 1.43 -1.26 -0.51 118.68 120.20 3njf s LEU 84 Ca 0.10 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 3njf s LEU 84 Cb 0.16 -0.05 -0.01 0.00 0.03 0.00 0.00 46.19 46.32 3njf s LEU 84 CO 0.66 -0.10 -0.16 0.68 0.23 0.00 0.00 176.35 177.66 3njf s VAL 85 N 0.80 1.28 0.03 -1.59 -7.23 -0.91 -1.40 120.40 111.37 3njf s VAL 85 Ca -0.07 -0.71 0.06 0.00 -1.81 0.00 0.00 61.98 59.45 3njf s VAL 85 Cb -0.10 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.76 3njf s VAL 85 CO -0.02 0.34 -0.18 -1.10 -0.31 0.00 0.00 175.10 173.84 3njf s GLN 86 N -0.42 1.22 -0.12 4.82 -0.21 0.75 -1.25 119.66 124.45 3njf s GLN 86 Ca 0.06 -0.81 -0.02 0.00 0.02 0.00 0.00 55.36 54.61 3njf s GLN 86 Cb -0.06 -1.27 -0.03 0.00 1.00 0.00 0.00 33.01 32.64 3njf s GLN 86 CO -0.00 0.33 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.94 3njf s LEU 87 N -1.01 3.28 -0.18 2.90 1.43 -0.51 0.10 118.68 124.69 3njf s LEU 87 Ca 0.05 -0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 3njf s LEU 87 Cb -0.08 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 3njf s LEU 87 CO 0.01 0.26 0.25 -0.69 0.23 0.00 0.00 176.35 176.42 3njf s VAL 88 N -0.21 5.32 -0.30 -1.59 1.01 -0.12 -1.86 120.40 122.65 3njf s VAL 88 Ca 0.04 0.44 -0.00 0.00 0.00 0.00 0.00 61.98 62.46 3njf s VAL 88 Cb -0.13 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.75 3njf s VAL 88 CO 0.02 0.38 0.07 -0.62 0.00 0.00 0.00 175.10 174.96 3njf s ASP 89 N 0.58 4.02 0.00 3.32 -1.08 -0.63 -1.16 116.67 121.72 3njf s ASP 89 Ca 0.14 -1.60 0.25 0.00 -0.52 0.00 0.00 52.55 50.82 3njf s ASP 89 Cb -0.13 -0.96 1.32 0.00 -1.46 0.00 0.00 42.92 41.69 3njf s ASP 89 CO 0.03 -0.39 1.85 0.18 0.52 0.00 0.00 175.17 177.36 3njf n LEU 90 N 4.77 0.00 -2.41 -1.34 4.77 -1.26 -1.00 117.00 120.53 3njf n LEU 90 Ca -0.03 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 56.04 3njf n LEU 90 Cb 0.43 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3njf n LEU 90 CO 0.13 -0.04 -0.18 -0.67 -1.33 0.00 0.00 177.39 175.30 3njf n ASP 91 N -1.23 -4.37 0.04 -1.43 2.03 -1.26 -4.07 116.55 106.25 3njf n ASP 91 Ca 0.13 0.15 -0.21 0.00 0.52 0.00 0.00 54.79 55.38 3njf n ASP 91 Cb 0.18 -3.70 -0.14 0.00 -0.72 0.00 0.00 41.12 36.73 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 0.30 -5.70 -0.67 1.57 -1.91 -3.45 116.57 106.71 3njf h LYS 92 Ca -0.34 -0.51 -0.60 0.00 -1.87 0.00 0.00 60.65 57.33 3njf h LYS 92 Cb 1.25 0.19 -0.10 0.00 0.08 0.00 0.00 32.23 33.65 3njf h LYS 92 CO 0.40 1.24 0.37 0.99 -0.57 0.00 0.00 179.45 181.89 3njf s THR 93 N -2.46 4.89 0.69 -0.16 2.01 -1.26 -5.05 115.64 114.30 3njf s THR 93 Ca -0.16 1.43 -0.11 0.00 0.31 0.00 0.00 61.69 63.16 3njf s THR 93 Cb 0.02 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.48 3njf s THR 93 CO 0.82 -0.04 1.06 -2.16 -0.69 0.00 0.00 174.62 173.61 3njf s PRO 94 N 2.72 3.01 0.00 4.92 0.05 -1.26 -4.77 135.00 139.67 3njf s PRO 94 Ca 0.32 0.81 0.00 0.00 0.05 0.00 0.00 61.00 62.18 3njf s PRO 94 Cb -0.15 -2.01 0.00 0.00 0.05 0.00 0.00 34.50 32.39 3njf s PRO 94 CO 0.08 -1.01 0.00 0.41 0.05 0.00 0.00 177.00 176.53 3njf n GLY 95 N -2.32 0.68 3.14 0.56 0.00 -1.26 -4.96 105.19 101.03 3njf n GLY 95 Ca 0.07 -2.08 -0.16 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 -1.25 0.92 0.00 2.61 2.01 -1.26 -5.05 115.64 113.62 3njf s THR 96 Ca 0.00 -1.27 -0.02 0.00 0.31 0.00 0.00 61.69 60.71 3njf s THR 96 Cb 0.00 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 3njf s THR 96 CO 0.00 -0.31 0.03 0.28 -0.69 0.00 0.00 174.62 173.93 3njf s THR 97 N -1.43 0.06 -0.08 -0.82 -1.32 -1.26 -5.02 115.64 105.77 3njf s THR 97 Ca -0.04 -0.48 0.02 0.00 -1.21 0.00 0.00 61.69 59.99 3njf s THR 97 Cb -0.09 -0.20 -0.02 0.00 -1.51 0.00 0.00 72.50 70.68 3njf s THR 97 CO 0.01 -0.26 -0.12 -0.75 -2.21 0.00 0.00 174.62 171.29 3njf s LYS 98 N -0.79 2.85 0.22 7.08 2.20 -1.26 -5.09 119.74 124.95 3njf s LYS 98 Ca -0.09 -0.66 -0.00 0.00 -0.36 0.00 0.00 55.97 54.86 3njf s LYS 98 Cb -0.05 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 3njf s LYS 98 CO -0.00 0.50 0.12 -0.59 -0.36 0.00 0.00 175.35 175.01 3njf s PHE 99 N -0.39 1.26 0.01 4.03 -0.12 -1.26 -4.29 117.98 117.23 3njf s PHE 99 Ca 0.05 -1.32 0.00 0.00 -0.05 0.00 0.00 56.93 55.61 3njf s PHE 99 Cb -0.12 -0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 41.60 3njf s PHE 99 CO 0.02 -0.55 -0.03 -0.65 -0.05 0.00 0.00 175.22 173.97 3njf s GLN 100 N -4.12 0.25 0.21 1.99 -0.21 0.06 -4.90 119.66 112.95 3njf s GLN 100 Ca 0.38 -0.38 -0.29 0.00 0.02 0.00 0.00 55.36 55.09 3njf s GLN 100 Cb 0.07 -0.04 -0.08 0.00 1.00 0.00 0.00 33.01 33.96 3njf s GLN 100 CO 0.12 -0.00 0.91 -0.06 -2.12 0.00 0.00 175.29 174.14 3njf s PHE 101 N -0.82 3.96 -0.14 0.91 0.08 -1.26 -0.10 117.98 120.60 3njf s PHE 101 Ca -0.08 1.85 -0.02 0.00 0.12 0.00 0.00 56.93 58.80 3njf s PHE 101 Cb -0.06 -2.94 -0.02 0.00 -0.57 0.00 0.00 43.02 39.42 3njf s PHE 101 CO -0.00 0.45 -0.08 0.08 -0.10 0.00 0.00 175.22 175.56 3njf s VAL 102 N -1.05 3.53 0.02 -0.44 1.01 -0.83 -1.52 120.40 121.12 3njf s VAL 102 Ca 0.40 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 3njf s VAL 102 Cb -0.25 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 3njf s VAL 102 CO 0.31 0.51 0.03 -0.76 0.00 0.00 0.00 175.10 175.19 3njf s LEU 103 N 0.29 1.99 0.53 3.92 1.02 0.29 -1.38 118.68 125.35 3njf s LEU 103 Ca -0.06 -0.42 0.02 0.00 0.02 0.00 0.00 54.13 53.69 3njf s LEU 103 Cb -0.15 0.32 0.03 0.00 0.02 0.00 0.00 46.19 46.41 3njf s LEU 103 CO 0.04 -0.34 0.75 -0.94 0.02 0.00 0.00 176.35 175.88 3njf s SER 104 N -1.50 5.34 0.12 2.29 1.04 -0.26 0.45 113.70 121.18 3njf s SER 104 Ca -0.15 -0.04 -0.17 0.00 0.48 0.00 0.00 55.95 56.08 3njf s SER 104 Cb -0.08 -0.89 0.04 0.00 0.10 0.00 0.00 66.02 65.19 3njf s SER 104 CO -0.00 -1.08 0.42 0.54 0.98 0.00 0.00 173.24 174.10 3njf s ASN 105 N -4.41 -0.28 0.00 7.02 2.20 -1.26 -2.13 114.94 116.09 3njf s ASN 105 Ca 0.57 -0.23 0.23 0.00 -0.94 0.00 0.00 52.86 52.48 3njf s ASN 105 Cb -0.10 0.48 0.18 0.00 -2.00 0.00 0.00 41.25 39.80 3njf s ASN 105 CO 0.38 -0.83 1.18 0.35 -2.94 0.00 0.00 177.10 175.24 3njf n THR 106 N -0.13 0.01 0.02 0.54 -2.24 -0.17 -4.15 114.28 108.16 3njf n THR 106 Ca -0.16 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 3njf n THR 106 Cb 0.63 0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 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 2.98 0.47 -3.49 6.98 0.00 -1.94 -3.48 119.26 120.78 3njf h ALA 107 Ca 0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 54.91 54.13 3njf h ALA 107 Cb 0.51 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3njf h ALA 107 CO 0.00 0.73 -0.04 0.27 0.00 0.00 0.00 179.25 180.21 3njf n ASN 108 N -3.87 -1.23 -1.32 0.00 0.23 -1.26 -5.07 115.26 102.73 3njf n ASN 108 Ca -0.06 -2.42 0.09 0.00 -0.53 0.00 0.00 54.58 51.66 3njf n ASN 108 Cb 0.73 2.22 0.31 0.00 -2.08 0.00 0.00 39.78 40.95 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 -0.44 1.60 -3.35 5.53 -2.24 -1.26 -4.51 114.28 109.61 3njf n THR 109 Ca -0.01 -1.20 -0.34 0.00 -2.27 0.00 0.00 64.05 60.23 3njf n THR 109 Cb 0.46 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.65 4.26 0.36 3.22 1.02 -1.26 -5.07 118.68 119.56 3njf s LEU 110 Ca 0.45 1.06 -0.20 0.00 0.02 0.00 0.00 54.13 55.46 3njf s LEU 110 Cb 0.28 -3.48 -0.10 0.00 0.02 0.00 0.00 46.19 42.91 3njf s LEU 110 CO 0.23 0.02 0.86 -0.76 0.02 0.00 0.00 176.35 176.72 3njf s LEU 111 N -2.32 4.09 -0.13 1.79 1.43 -1.26 -4.52 118.68 117.75 3njf s LEU 111 Ca 0.42 1.57 -0.08 0.00 -1.03 0.00 0.00 54.13 55.01 3njf s LEU 111 Cb -0.13 -4.22 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 3njf s LEU 111 CO 0.20 -0.22 0.15 -0.69 0.23 0.00 0.00 176.35 176.02 3njf s VAL 112 N -1.96 5.46 -0.05 -1.59 1.01 0.17 -4.92 120.40 118.52 3njf s VAL 112 Ca 0.56 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.82 3njf s VAL 112 Cb -0.12 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3njf s VAL 112 CO 0.17 0.57 -0.21 -0.76 0.00 0.00 0.00 175.10 174.88 3njf s LEU 113 N -0.68 1.98 0.80 3.92 1.43 -1.26 -0.55 118.68 124.32 3njf s LEU 113 Ca 0.14 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 3njf s LEU 113 Cb -0.12 -1.15 0.07 0.00 0.03 0.00 0.00 46.19 45.02 3njf s LEU 113 CO 0.03 0.19 1.09 -0.94 0.23 0.00 0.00 176.35 176.94 3njf s SER 114 N 0.00 4.30 0.58 2.29 1.04 -0.57 -4.94 113.70 116.40 3njf s SER 114 Ca -0.05 1.61 -0.20 0.00 0.48 0.00 0.00 55.95 57.78 3njf s SER 114 Cb -0.13 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 3njf s SER 114 CO 0.03 -2.13 1.28 -2.65 0.98 0.00 0.00 173.24 170.75 3njf n PRO 115 N -3.57 1.43 0.00 4.02 -0.02 -1.26 -4.62 135.00 130.98 3njf n PRO 115 Ca 0.08 0.53 0.05 0.00 -2.02 0.00 0.00 63.50 62.15 3njf n PRO 115 Cb 0.54 -2.49 0.32 0.00 -0.02 0.00 0.00 33.50 31.85 3njf n PRO 115 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08