#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ne3 h ASP 2 N 0.00 0.02 0.00 6.12 3.32 -2.04 -3.48 116.42 120.36 1ne3 h ASP 2 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ne3 h ASP 2 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1ne3 h ASP 2 CO 0.00 1.01 0.00 0.47 -1.72 0.00 0.00 179.24 179.00 1ne3 n ASP 3 N -3.37 0.00 -4.86 6.45 8.00 -1.26 -5.12 116.55 116.39 1ne3 n ASP 3 Ca -0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 1ne3 n ASP 3 Cb 0.94 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.98 1ne3 n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ne3 s ALA 4 N 0.00 3.67 -0.09 2.24 0.00 -1.26 -4.54 121.76 121.78 1ne3 s ALA 4 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 1ne3 s ALA 4 Cb 0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1ne3 s ALA 4 CO 0.00 0.52 0.15 0.99 0.00 0.00 0.00 175.76 177.42 1ne3 s THR 5 N -1.41 5.49 -0.42 0.00 2.01 -1.08 -4.81 115.64 115.43 1ne3 s THR 5 Ca 0.34 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.17 1ne3 s THR 5 Cb -0.14 -3.44 0.01 0.00 0.01 0.00 0.00 72.50 68.94 1ne3 s THR 5 CO 0.18 0.54 1.41 -2.16 -0.69 0.00 0.00 174.62 173.90 1ne3 s PRO 6 N -1.27 3.57 0.14 4.92 0.04 -1.26 -3.25 135.00 137.89 1ne3 s PRO 6 Ca 0.18 0.92 0.06 0.00 0.04 0.00 0.00 61.00 62.20 1ne3 s PRO 6 Cb -0.12 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1ne3 s PRO 6 CO 0.08 -1.58 -0.13 0.00 0.04 0.00 0.00 177.00 175.42 1ne3 s ALA 7 N 5.45 1.55 -0.08 8.56 0.00 -1.12 -3.80 121.76 132.31 1ne3 s ALA 7 Ca 0.61 -1.40 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1ne3 s ALA 7 Cb -0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1ne3 s ALA 7 CO 0.33 0.04 -0.20 -1.21 0.00 0.00 0.00 175.76 174.71 1ne3 s GLU 8 N -3.12 2.87 -0.16 0.00 2.02 -1.25 -0.74 118.70 118.32 1ne3 s GLU 8 Ca 0.13 -0.81 -0.37 0.00 0.02 0.00 0.00 54.97 53.94 1ne3 s GLU 8 Cb -0.02 -2.35 -0.14 0.00 0.10 0.00 0.00 34.13 31.72 1ne3 s GLU 8 CO 0.03 0.33 1.80 0.28 0.02 0.00 0.00 175.26 177.73 1ne3 n VAL 9 N 3.11 0.44 -0.12 2.63 0.31 0.50 -3.78 118.33 121.42 1ne3 n VAL 9 Ca -0.18 -0.08 -0.17 0.00 -0.01 0.00 0.00 64.34 63.90 1ne3 n VAL 9 Cb 0.52 -1.56 -0.13 0.00 -0.91 0.00 0.00 33.84 31.77 1ne3 n VAL 9 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1ne3 n ILE 10 N 4.81 1.50 -4.26 2.52 -6.64 -0.83 0.24 119.36 116.70 1ne3 n ILE 10 Ca 0.24 -0.61 -0.17 0.00 -1.77 0.00 0.00 62.75 60.44 1ne3 n ILE 10 Cb 0.22 -1.35 -0.15 0.00 -1.44 0.00 0.00 39.64 36.93 1ne3 n ILE 10 CO 0.00 0.00 0.00 -0.70 -1.77 0.00 0.00 176.55 174.08 1ne3 s GLU 11 N -2.52 0.58 -0.11 6.28 2.56 -0.48 -4.75 118.70 120.26 1ne3 s GLU 11 Ca -0.31 -0.26 0.03 0.00 0.00 0.00 0.00 54.97 54.42 1ne3 s GLU 11 Cb 0.09 -0.56 0.01 0.00 2.00 0.00 0.00 34.13 35.66 1ne3 s GLU 11 CO 0.64 0.15 -0.21 0.54 -0.56 0.00 0.00 175.26 175.82 1ne3 s VAL 12 N -0.18 1.86 -0.38 3.70 0.11 -1.26 0.42 120.40 124.67 1ne3 s VAL 12 Ca 0.03 -0.89 -0.09 0.00 -2.93 0.00 0.00 61.98 58.10 1ne3 s VAL 12 Cb -0.03 -1.64 0.05 0.00 -1.53 0.00 0.00 36.38 33.23 1ne3 s VAL 12 CO -0.00 0.51 0.20 -0.76 -3.33 0.00 0.00 175.10 171.72 1ne3 s LEU 13 N 0.61 4.76 -0.05 2.54 1.43 -0.84 -4.85 118.68 122.27 1ne3 s LEU 13 Ca -0.13 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 1ne3 s LEU 13 Cb -0.17 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1ne3 s LEU 13 CO 0.04 -0.42 -0.03 -1.59 0.23 0.00 0.00 176.35 174.58 1ne3 s LYS 14 N 1.48 0.78 -0.04 1.70 -2.85 -1.26 -2.66 119.74 116.89 1ne3 s LYS 14 Ca 0.01 -0.05 0.02 0.00 -1.00 0.00 0.00 55.97 54.96 1ne3 s LYS 14 Cb -0.20 -0.89 0.01 0.00 -2.06 0.00 0.00 37.83 34.68 1ne3 s LYS 14 CO 0.04 -0.15 -0.08 0.50 0.10 0.00 0.00 175.35 175.76 1ne3 s ARG 15 N 1.23 1.06 -0.17 1.78 6.06 -1.26 -5.11 118.95 122.54 1ne3 s ARG 15 Ca -0.06 -0.27 -0.05 0.00 -2.50 0.00 0.00 55.73 52.85 1ne3 s ARG 15 Cb -0.14 -0.97 -0.03 0.00 0.06 0.00 0.00 34.95 33.87 1ne3 s ARG 15 CO -0.02 0.05 0.00 -0.08 -2.50 0.00 0.00 175.30 172.75 1ne3 s THR 16 N 0.46 4.17 0.00 4.11 -1.32 -1.26 -4.80 115.64 117.00 1ne3 s THR 16 Ca -0.08 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 1ne3 s THR 16 Cb -0.11 -2.86 0.00 0.00 -1.51 0.00 0.00 72.50 68.02 1ne3 s THR 16 CO 0.01 0.47 0.00 0.61 -2.21 0.00 0.00 174.62 173.50 1ne3 n GLY 17 N 3.71 4.13 4.85 6.08 0.00 -1.26 -5.00 105.19 117.70 1ne3 n GLY 17 Ca -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1ne3 n GLY 17 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ne3 n MET 18 N 0.00 0.00 -3.87 1.61 0.00 -1.26 -4.61 117.12 108.98 1ne3 n MET 18 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 1ne3 n MET 18 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.08 1ne3 n MET 18 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1ne3 s THR 19 N 0.00 1.98 -0.88 1.12 -4.23 -1.26 -5.03 115.64 107.35 1ne3 s THR 19 Ca 0.00 -2.65 -0.01 0.00 -1.18 0.00 0.00 61.69 57.85 1ne3 s THR 19 Cb 0.00 -2.41 0.22 0.00 1.34 0.00 0.00 72.50 71.65 1ne3 s THR 19 CO 0.00 -0.76 0.76 0.61 -0.54 0.00 0.00 174.62 174.69 1ne3 n GLY 20 N 3.71 4.13 2.00 3.99 0.00 -1.26 -4.73 105.19 113.02 1ne3 n GLY 20 Ca 0.05 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.47 1ne3 n GLY 20 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ne3 n GLU 21 N 2.22 0.00 -4.45 1.61 4.07 -1.26 -5.07 120.64 117.77 1ne3 n GLU 21 Ca 0.22 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.97 1ne3 n GLU 21 Cb 0.37 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.65 1ne3 n GLU 21 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1ne3 s VAL 22 N -1.36 4.09 0.22 6.31 1.01 -1.26 -4.78 120.40 124.63 1ne3 s VAL 22 Ca 0.00 -0.37 0.10 0.00 0.00 0.00 0.00 61.98 61.71 1ne3 s VAL 22 Cb 0.00 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1ne3 s VAL 22 CO 0.00 0.57 -0.20 0.00 0.00 0.00 0.00 175.10 175.48 1ne3 s MET 23 N -0.95 1.49 0.21 2.72 0.23 -1.16 -4.93 119.30 116.91 1ne3 s MET 23 Ca 0.14 -1.59 0.07 0.00 -1.03 0.00 0.00 55.69 53.28 1ne3 s MET 23 Cb -0.11 -1.58 -0.04 0.00 -1.53 0.00 0.00 34.83 31.56 1ne3 s MET 23 CO 0.03 0.31 0.09 1.14 -2.03 0.00 0.00 175.02 174.56 1ne3 s GLN 24 N -3.14 2.65 0.01 3.16 0.00 -1.09 0.18 119.66 121.44 1ne3 s GLN 24 Ca 0.23 -1.10 0.01 0.00 -0.00 0.00 0.00 55.36 54.49 1ne3 s GLN 24 Cb -0.05 -2.44 -0.01 0.00 0.00 0.00 0.00 33.01 30.50 1ne3 s GLN 24 CO 0.10 0.43 -0.03 0.54 0.00 0.00 0.00 175.29 176.33 1ne3 s VAL 25 N -1.98 0.18 -0.14 3.63 0.11 -0.83 -1.99 120.40 119.37 1ne3 s VAL 25 Ca 0.31 -0.56 -0.06 0.00 -2.93 0.00 0.00 61.98 58.74 1ne3 s VAL 25 Cb -0.08 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1ne3 s VAL 25 CO 0.22 -0.24 0.08 -0.75 -3.33 0.00 0.00 175.10 171.07 1ne3 s LYS 26 N -0.84 3.62 -0.01 1.54 2.20 1.43 -3.12 119.74 124.56 1ne3 s LYS 26 Ca -0.08 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1ne3 s LYS 26 Cb -0.06 -3.14 0.01 0.00 -1.51 0.00 0.00 37.83 33.14 1ne3 s LYS 26 CO -0.00 0.53 0.01 0.00 -0.36 0.00 0.00 175.35 175.52 1ne3 s ARG 28 N 0.36 2.90 0.39 0.00 3.00 -1.25 -2.38 118.95 121.97 1ne3 s ARG 28 Ca -0.03 -0.48 -0.26 0.00 -1.00 0.00 0.00 55.73 53.96 1ne3 s ARG 28 Cb -0.04 -2.70 -0.11 0.00 0.00 0.00 0.00 34.95 32.10 1ne3 s ARG 28 CO -0.01 0.66 1.10 -0.89 0.00 0.00 0.00 175.30 176.16 1ne3 n ILE 29 N 2.25 2.34 0.22 4.11 5.41 0.44 -3.93 119.36 130.20 1ne3 n ILE 29 Ca -0.18 -0.50 0.04 0.00 1.00 0.00 0.00 62.75 63.11 1ne3 n ILE 29 Cb 0.53 -1.27 -0.05 0.00 -0.71 0.00 0.00 39.64 38.13 1ne3 n ILE 29 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1ne3 n LEU 30 N 0.58 0.22 -3.61 1.39 4.77 -1.25 -3.73 117.00 115.38 1ne3 n LEU 30 Ca 0.08 -0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 55.65 1ne3 n LEU 30 Cb 0.38 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 1ne3 n LEU 30 CO 0.58 0.05 0.58 -0.62 -1.33 0.00 0.00 177.39 176.66 1ne3 s ASP 31 N -2.28 -0.58 0.00 -1.43 2.15 -1.26 -5.00 116.67 108.27 1ne3 s ASP 31 Ca 0.00 0.99 0.00 0.00 0.43 0.00 0.00 52.55 53.97 1ne3 s ASP 31 Cb 0.06 0.96 0.00 0.00 -0.30 0.00 0.00 42.92 43.64 1ne3 s ASP 31 CO 0.34 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.67 1ne3 n GLY 32 N 1.98 3.72 0.24 2.66 0.00 -1.26 -4.69 105.19 107.84 1ne3 n GLY 32 Ca -0.14 -1.73 0.17 0.00 0.00 0.00 0.00 46.02 44.32 1ne3 n GLY 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ne3 h ARG 33 N 0.00 0.00 -0.39 1.61 1.12 -2.04 0.44 114.38 115.12 1ne3 h ARG 33 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ne3 h ARG 33 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1ne3 h ARG 33 CO 0.00 0.00 0.00 -0.25 -3.11 0.00 0.00 179.97 176.61 1ne3 n ASP 34 N -2.68 2.75 -1.01 -3.80 8.00 -1.26 -5.00 116.55 113.56 1ne3 n ASP 34 Ca -0.01 -1.92 -0.12 0.00 0.71 0.00 0.00 54.79 53.45 1ne3 n ASP 34 Cb 0.10 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 40.94 1ne3 n ASP 34 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1ne3 n LYS 35 N 1.01 0.00 -0.03 -1.24 3.00 0.15 0.52 118.16 121.58 1ne3 n LYS 35 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1ne3 n LYS 35 Cb 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 35.03 35.22 1ne3 n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ne3 n GLY 36 N 0.39 1.73 3.70 3.14 0.00 -1.24 -4.99 105.19 107.92 1ne3 n GLY 36 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1ne3 n GLY 36 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ne3 s ARG 37 N -0.41 4.18 -0.11 1.61 3.52 0.19 -4.56 118.95 123.37 1ne3 s ARG 37 Ca 0.00 2.43 0.03 0.00 -0.13 0.00 0.00 55.73 58.06 1ne3 s ARG 37 Cb 0.00 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1ne3 s ARG 37 CO 0.00 -0.73 -0.22 0.42 -0.81 0.00 0.00 175.30 173.96 1ne3 s ILE 38 N 2.13 1.94 -0.07 4.11 1.09 -1.26 0.17 121.20 129.31 1ne3 s ILE 38 Ca 0.75 -0.93 -0.00 0.00 -1.10 0.00 0.00 60.65 59.37 1ne3 s ILE 38 Cb -0.43 -1.70 0.02 0.00 -1.06 0.00 0.00 42.46 39.29 1ne3 s ILE 38 CO 0.33 0.53 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.90 1ne3 s LEU 39 N 0.60 1.03 -0.12 2.97 1.02 -1.00 -5.00 118.68 118.18 1ne3 s LEU 39 Ca -0.13 -0.15 -0.06 0.00 0.02 0.00 0.00 54.13 53.81 1ne3 s LEU 39 Cb -0.17 -0.53 -0.04 0.00 0.02 0.00 0.00 46.19 45.47 1ne3 s LEU 39 CO 0.04 -0.12 0.11 -0.89 0.02 0.00 0.00 176.35 175.51 1ne3 s THR 40 N 1.46 5.27 0.05 5.49 2.01 -1.26 -3.79 115.64 124.86 1ne3 s THR 40 Ca -0.02 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 1ne3 s THR 40 Cb -0.13 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1ne3 s THR 40 CO -0.03 0.61 0.09 -0.13 -0.69 0.00 0.00 174.62 174.47 1ne3 s ARG 41 N -0.94 0.62 -0.25 4.92 3.00 -1.18 -4.99 118.95 120.14 1ne3 s ARG 41 Ca 0.14 -0.84 -0.23 0.00 0.00 0.00 0.00 55.73 54.80 1ne3 s ARG 41 Cb -0.12 0.24 -0.01 0.00 0.00 0.00 0.00 34.95 35.06 1ne3 s ARG 41 CO 0.03 -0.16 0.76 -0.80 0.00 0.00 0.00 175.30 175.14 1ne3 s ASN 42 N -2.32 6.75 -0.03 0.23 -0.87 -1.26 -1.96 114.94 115.48 1ne3 s ASN 42 Ca -0.02 0.93 0.01 0.00 -1.57 0.00 0.00 52.86 52.21 1ne3 s ASN 42 Cb 0.01 -2.40 0.02 0.00 -0.02 0.00 0.00 41.25 38.85 1ne3 s ASN 42 CO -0.06 -0.47 -0.03 0.54 -2.57 0.00 0.00 177.10 174.51 1ne3 s VAL 43 N 2.73 0.40 -0.14 1.60 0.11 0.49 -4.92 120.40 120.65 1ne3 s VAL 43 Ca 0.32 -0.09 -0.23 0.00 -2.93 0.00 0.00 61.98 59.05 1ne3 s VAL 43 Cb -0.15 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1ne3 s VAL 43 CO 0.08 0.17 0.69 -0.32 -3.33 0.00 0.00 175.10 172.38 1ne3 s MET 44 N 0.63 4.32 0.00 1.54 1.75 -1.26 -2.97 119.30 123.31 1ne3 s MET 44 Ca -0.07 0.79 0.00 0.00 -1.25 0.00 0.00 55.69 55.15 1ne3 s MET 44 Cb -0.11 -3.52 0.00 0.00 2.84 0.00 0.00 34.83 34.04 1ne3 s MET 44 CO -0.00 -0.13 0.00 0.41 -0.65 0.00 0.00 175.02 174.65 1ne3 n GLY 45 N 3.45 4.38 3.57 2.11 0.00 -1.26 -5.00 105.19 112.43 1ne3 n GLY 45 Ca -0.00 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 1ne3 n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ne3 s PRO 46 N -3.29 3.15 -0.11 1.61 0.04 -1.26 -4.91 135.00 130.22 1ne3 s PRO 46 Ca 0.00 -1.02 0.01 0.00 0.04 0.00 0.00 61.00 60.03 1ne3 s PRO 46 Cb 0.00 -5.28 0.02 0.00 0.04 0.00 0.00 34.50 29.28 1ne3 s PRO 46 CO 0.00 -2.89 -0.13 -1.50 0.04 0.00 0.00 177.00 172.51 1ne3 s ILE 47 N 7.50 1.38 0.15 0.56 -1.16 -1.26 -5.13 121.20 123.24 1ne3 s ILE 47 Ca 0.59 -0.56 0.07 0.00 -0.51 0.00 0.00 60.65 60.24 1ne3 s ILE 47 Cb -0.02 -1.28 -0.04 0.00 0.61 0.00 0.00 42.46 41.73 1ne3 s ILE 47 CO 0.00 0.42 -0.14 0.00 -2.81 0.00 0.00 174.94 172.41 1ne3 s ARG 48 N 1.13 1.15 0.04 3.50 3.03 -1.26 -4.93 118.95 121.61 1ne3 s ARG 48 Ca -0.04 -1.38 -0.18 0.00 2.03 0.00 0.00 55.73 56.16 1ne3 s ARG 48 Cb -0.14 -1.01 -0.09 0.00 -1.03 0.00 0.00 34.95 32.68 1ne3 s ARG 48 CO -0.03 0.18 0.43 -0.85 -1.13 0.00 0.00 175.30 173.90 1ne3 n GLU 49 N 0.18 0.00 0.00 3.89 0.28 -1.26 -2.73 120.64 121.00 1ne3 n GLU 49 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 1ne3 n GLU 49 Cb 0.58 -0.65 0.00 0.00 1.43 0.00 0.00 31.44 32.80 1ne3 n GLU 49 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ne3 n GLY 50 N 0.86 2.06 3.75 -1.84 0.00 0.65 -4.91 105.19 105.76 1ne3 n GLY 50 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1ne3 n GLY 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ne3 s ASP 51 N -1.72 3.48 -0.04 1.61 2.15 -1.10 -4.50 116.67 116.54 1ne3 s ASP 51 Ca 0.00 1.17 -0.03 0.00 0.43 0.00 0.00 52.55 54.11 1ne3 s ASP 51 Cb 0.00 -1.82 -0.04 0.00 -0.30 0.00 0.00 42.92 40.76 1ne3 s ASP 51 CO 0.00 -2.59 0.14 -0.63 -0.17 0.00 0.00 175.17 171.92 1ne3 s ILE 52 N -3.12 5.25 0.10 4.11 1.01 -1.26 0.19 121.20 127.48 1ne3 s ILE 52 Ca 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1ne3 s ILE 52 Cb -0.16 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1ne3 s ILE 52 CO 0.55 0.42 -0.01 -0.76 0.00 0.00 0.00 174.94 175.14 1ne3 s LEU 53 N -1.61 2.25 -0.17 2.97 2.01 0.08 -4.88 118.68 119.34 1ne3 s LEU 53 Ca 0.22 -1.08 -0.01 0.00 0.01 0.00 0.00 54.13 53.27 1ne3 s LEU 53 Cb -0.12 0.11 -0.00 0.00 0.01 0.00 0.00 46.19 46.18 1ne3 s LEU 53 CO 0.13 -0.59 -0.13 -0.04 1.01 0.00 0.00 176.35 176.73 1ne3 s MET 54 N -3.93 3.25 -0.40 1.70 -1.94 -1.26 -2.79 119.30 113.93 1ne3 s MET 54 Ca 0.15 -0.72 -0.14 0.00 -1.71 0.00 0.00 55.69 53.27 1ne3 s MET 54 Cb 0.07 -2.71 0.02 0.00 2.01 0.00 0.00 34.83 34.23 1ne3 s MET 54 CO -0.03 -0.03 0.28 -0.51 -0.01 0.00 0.00 175.02 174.71 1ne3 s LEU 55 N 0.95 5.02 -0.10 -0.03 2.01 -1.20 -4.87 118.68 120.46 1ne3 s LEU 55 Ca -0.02 -0.93 -0.03 0.00 0.01 0.00 0.00 54.13 53.15 1ne3 s LEU 55 Cb -0.15 -2.12 -0.03 0.00 0.01 0.00 0.00 46.19 43.89 1ne3 s LEU 55 CO -0.02 -0.44 0.03 -0.22 1.01 0.00 0.00 176.35 176.72 1ne3 s LEU 56 N 1.65 3.76 0.01 1.79 1.98 -1.26 -2.62 118.68 123.99 1ne3 s LEU 56 Ca 0.04 0.20 -0.33 0.00 -2.89 0.00 0.00 54.13 51.16 1ne3 s LEU 56 Cb -0.19 -1.88 -0.11 0.00 0.66 0.00 0.00 46.19 44.66 1ne3 s LEU 56 CO 0.09 0.37 1.84 -0.67 -1.89 0.00 0.00 176.35 176.08 1ne3 n ASP 57 N 2.24 3.61 -4.78 3.68 2.03 -1.26 -4.94 116.55 117.12 1ne3 n ASP 57 Ca -0.19 0.98 -0.38 0.00 0.52 0.00 0.00 54.79 55.73 1ne3 n ASP 57 Cb 0.54 -1.44 -0.06 0.00 -0.72 0.00 0.00 41.12 39.44 1ne3 n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1ne3 s THR 58 N 3.34 5.04 -0.21 5.18 -1.32 -1.26 -5.05 115.64 121.36 1ne3 s THR 58 Ca 0.88 0.96 -0.18 0.00 -1.21 0.00 0.00 61.69 62.14 1ne3 s THR 58 Cb -0.61 -3.79 -0.03 0.00 -1.51 0.00 0.00 72.50 66.56 1ne3 s THR 58 CO 0.45 0.47 0.49 -0.63 -2.21 0.00 0.00 174.62 173.19 1ne3 s ILE 59 N -0.36 5.12 0.55 5.08 1.09 -1.26 -5.05 121.20 126.37 1ne3 s ILE 59 Ca 0.26 0.88 -0.19 0.00 -1.10 0.00 0.00 60.65 60.49 1ne3 s ILE 59 Cb -0.17 -3.81 -0.06 0.00 -1.06 0.00 0.00 42.46 37.37 1ne3 s ILE 59 CO 0.13 0.18 1.14 0.00 -0.10 0.00 0.00 174.94 176.28 1ne3 s ARG 60 N 1.69 3.31 0.01 2.79 3.03 -1.26 -5.03 118.95 123.48 1ne3 s ARG 60 Ca 0.22 1.63 -0.00 0.00 2.03 0.00 0.00 55.73 59.60 1ne3 s ARG 60 Cb -0.15 -2.00 -0.04 0.00 -1.03 0.00 0.00 34.95 31.73 1ne3 s ARG 60 CO 0.09 -0.89 0.10 -1.83 -1.13 0.00 0.00 175.30 171.65 1ne3 s GLU 61 N -3.31 3.12 0.29 3.89 -1.05 -1.26 -5.08 118.70 115.30 1ne3 s GLU 61 Ca 0.73 -0.48 -0.29 0.00 -0.15 0.00 0.00 54.97 54.77 1ne3 s GLU 61 Cb -0.24 -2.89 -0.10 0.00 -0.44 0.00 0.00 34.13 30.46 1ne3 s GLU 61 CO 0.28 0.64 1.13 0.00 0.95 0.00 0.00 175.26 178.25 1ne3 s ALA 62 N -1.26 3.42 0.03 -0.84 0.00 -1.26 -5.01 121.76 116.84 1ne3 s ALA 62 Ca 0.25 0.94 -0.20 0.00 0.00 0.00 0.00 51.96 52.96 1ne3 s ALA 62 Cb -0.12 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 1ne3 s ALA 62 CO 0.16 -0.22 0.58 -1.59 0.00 0.00 0.00 175.76 174.69 1ne3 s LYS 63 N -1.48 4.25 0.06 0.00 -2.85 -1.26 -5.07 119.74 113.39 1ne3 s LYS 63 Ca 0.45 0.72 0.02 0.00 -1.00 0.00 0.00 55.97 56.16 1ne3 s LYS 63 Cb -0.33 -3.29 -0.04 0.00 -2.06 0.00 0.00 37.83 32.11 1ne3 s LYS 63 CO 0.42 0.51 0.09 -1.83 0.10 0.00 0.00 175.35 174.64 1ne3 s GLU 64 N -0.67 2.96 -0.12 1.78 1.03 -1.26 -5.10 118.70 117.32 1ne3 s GLU 64 Ca 0.30 -0.62 -0.12 0.00 0.03 0.00 0.00 54.97 54.55 1ne3 s GLU 64 Cb -0.19 -2.78 -0.05 0.00 -0.80 0.00 0.00 34.13 30.32 1ne3 s GLU 64 CO 0.18 0.59 0.27 0.96 -1.33 0.00 0.00 175.26 175.93 1ne3 s ILE 65 N -1.34 5.30 -0.17 1.83 -4.36 -1.26 -5.08 121.20 116.12 1ne3 s ILE 65 Ca 0.28 0.51 -0.05 0.00 -0.26 0.00 0.00 60.65 61.13 1ne3 s ILE 65 Cb -0.12 -3.59 -0.03 0.00 1.25 0.00 0.00 42.46 39.97 1ne3 s ILE 65 CO 0.20 0.49 -0.01 -0.60 0.24 0.00 0.00 174.94 175.25 1ne3 s ARG 66 N -0.21 3.73 0.04 0.37 3.00 -1.26 -5.11 118.95 119.51 1ne3 s ARG 66 Ca 0.17 -0.48 0.02 0.00 -1.00 0.00 0.00 55.73 54.44 1ne3 s ARG 66 Cb -0.13 -2.99 -0.04 0.00 0.00 0.00 0.00 34.95 31.78 1ne3 s ARG 66 CO 0.05 0.22 0.03 0.95 0.00 0.00 0.00 175.30 176.56 1ne3 s THR 67 N 0.44 4.31 -2.00 4.11 -4.23 -1.26 -5.37 115.64 111.65 1ne3 s THR 67 Ca -0.02 -0.70 0.24 0.00 -1.18 0.00 0.00 61.69 60.03 1ne3 s THR 67 Cb -0.14 -3.00 0.68 0.00 1.34 0.00 0.00 72.50 71.38 1ne3 s THR 67 CO 0.02 0.25 1.80 -0.81 -0.54 0.00 0.00 174.62 175.34