#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ne3 n ASP 2 N 0.00 1.10 0.17 7.83 -0.08 -1.26 -4.96 116.55 119.35 1ne3 n ASP 2 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ne3 n ASP 2 Cb 0.00 1.23 0.00 0.00 2.34 0.00 0.00 41.12 44.69 1ne3 n ASP 2 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ne3 n ASP 3 N -2.40 -2.93 -4.86 1.67 8.00 -1.26 -5.12 116.55 109.65 1ne3 n ASP 3 Ca -0.17 0.64 -0.34 0.00 0.71 0.00 0.00 54.79 55.63 1ne3 n ASP 3 Cb 0.80 2.86 -0.05 0.00 -0.02 0.00 0.00 41.12 44.70 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 -1.70 3.67 0.15 2.24 0.00 -1.26 -4.05 121.76 120.81 1ne3 s ALA 4 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 1ne3 s ALA 4 Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 1ne3 s ALA 4 CO 0.00 0.54 0.35 0.99 0.00 0.00 0.00 175.76 177.64 1ne3 s THR 5 N -1.49 5.21 -0.50 0.00 2.01 0.38 -4.63 115.64 116.62 1ne3 s THR 5 Ca 0.37 -0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 1ne3 s THR 5 Cb -0.14 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.72 1ne3 s THR 5 CO 0.19 -0.02 1.46 -2.16 -0.69 0.00 0.00 174.62 173.41 1ne3 s PRO 6 N -2.85 3.35 0.17 4.92 0.04 -1.26 -0.96 135.00 138.40 1ne3 s PRO 6 Ca 0.39 0.67 0.06 0.00 0.04 0.00 0.00 61.00 62.17 1ne3 s PRO 6 Cb -0.12 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 1ne3 s PRO 6 CO 0.27 -1.86 -0.13 0.00 0.04 0.00 0.00 177.00 175.32 1ne3 s ALA 7 N 6.09 1.70 -0.07 8.56 0.00 -0.44 -3.14 121.76 134.46 1ne3 s ALA 7 Ca 0.58 -1.53 0.05 0.00 0.00 0.00 0.00 51.96 51.06 1ne3 s ALA 7 Cb -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1ne3 s ALA 7 CO 0.28 0.00 -0.24 -1.21 0.00 0.00 0.00 175.76 174.59 1ne3 s GLU 8 N -3.54 2.61 0.00 0.00 2.02 -1.23 0.86 118.70 119.42 1ne3 s GLU 8 Ca 0.18 -0.87 -0.35 0.00 0.02 0.00 0.00 54.97 53.95 1ne3 s GLU 8 Cb 0.00 -2.13 -0.13 0.00 0.10 0.00 0.00 34.13 31.96 1ne3 s GLU 8 CO 0.04 0.31 1.69 0.28 0.02 0.00 0.00 175.26 177.60 1ne3 n VAL 9 N 3.13 0.27 -0.05 2.63 0.31 0.65 -3.27 118.33 122.01 1ne3 n VAL 9 Ca -0.18 -0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.04 1ne3 n VAL 9 Cb 0.52 -1.57 -0.05 0.00 -0.91 0.00 0.00 33.84 31.84 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 4.16 0.57 -4.05 2.52 -6.64 -0.67 0.18 119.36 115.42 1ne3 n ILE 10 Ca 0.20 -0.24 -0.17 0.00 -1.77 0.00 0.00 62.75 60.78 1ne3 n ILE 10 Cb 0.26 -0.85 -0.15 0.00 -1.44 0.00 0.00 39.64 37.46 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 -2.20 0.43 -0.07 6.28 2.56 -0.14 -4.73 118.70 120.82 1ne3 s GLU 11 Ca -0.12 -0.06 0.05 0.00 0.00 0.00 0.00 54.97 54.84 1ne3 s GLU 11 Cb 0.03 -0.49 -0.01 0.00 2.00 0.00 0.00 34.13 35.67 1ne3 s GLU 11 CO 0.25 -0.03 -0.23 0.54 -0.56 0.00 0.00 175.26 175.23 1ne3 s VAL 12 N 0.52 2.17 -0.37 3.70 0.11 -1.26 0.42 120.40 125.70 1ne3 s VAL 12 Ca -0.06 -1.01 -0.08 0.00 -2.93 0.00 0.00 61.98 57.91 1ne3 s VAL 12 Cb -0.09 -1.81 0.05 0.00 -1.53 0.00 0.00 36.38 33.01 1ne3 s VAL 12 CO -0.01 0.57 0.17 -0.76 -3.33 0.00 0.00 175.10 171.74 1ne3 s LEU 13 N -0.01 4.67 -0.04 2.54 2.01 -0.81 -4.87 118.68 122.17 1ne3 s LEU 13 Ca -0.08 -1.28 0.02 0.00 0.01 0.00 0.00 54.13 52.80 1ne3 s LEU 13 Cb -0.15 -1.92 0.01 0.00 0.01 0.00 0.00 46.19 44.14 1ne3 s LEU 13 CO 0.05 -0.41 -0.06 -1.59 1.01 0.00 0.00 176.35 175.35 1ne3 s LYS 14 N 1.41 0.86 0.08 1.70 -2.85 -1.26 -2.83 119.74 116.86 1ne3 s LYS 14 Ca 0.01 -0.18 0.07 0.00 -1.00 0.00 0.00 55.97 54.87 1ne3 s LYS 14 Cb -0.21 -0.83 -0.03 0.00 -2.06 0.00 0.00 37.83 34.70 1ne3 s LYS 14 CO 0.03 -0.00 -0.20 0.50 0.10 0.00 0.00 175.35 175.78 1ne3 s ARG 15 N 0.59 1.14 0.00 1.78 3.52 -1.26 -4.90 118.95 119.82 1ne3 s ARG 15 Ca -0.08 -1.06 0.00 0.00 -0.13 0.00 0.00 55.73 54.46 1ne3 s ARG 15 Cb -0.12 -1.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.95 1ne3 s ARG 15 CO 0.01 0.31 0.00 2.41 -0.81 0.00 0.00 175.30 177.22 1ne3 n THR 16 N 1.34 0.00 -0.22 4.11 -1.04 -1.26 -4.80 114.28 112.40 1ne3 n THR 16 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1ne3 n THR 16 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 1ne3 n THR 16 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ne3 n GLY 17 N 0.00 0.71 1.92 3.41 0.00 -1.26 -5.12 105.19 104.85 1ne3 n GLY 17 Ca 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 1ne3 n GLY 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ne3 n MET 18 N 0.00 -2.04 -2.26 1.61 2.81 -1.26 -4.77 117.12 111.21 1ne3 n MET 18 Ca 0.00 -0.64 0.00 0.00 -1.81 0.00 0.00 57.70 55.25 1ne3 n MET 18 Cb 0.00 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 1ne3 n MET 18 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ne3 n THR 19 N -4.13-12.90 0.00 2.03 -1.04 -1.26 -4.99 114.28 91.98 1ne3 n THR 19 Ca 0.06 3.13 0.00 0.00 -2.04 0.00 0.00 64.05 65.20 1ne3 n THR 19 Cb 0.26 -5.70 0.00 0.00 -1.82 0.00 0.00 70.33 63.08 1ne3 n THR 19 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ne3 n GLY 20 N 1.90 0.63 0.55 3.41 0.00 -1.26 -5.08 105.19 105.34 1ne3 n GLY 20 Ca 0.00 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 -1.27 -3.13 1.61 4.07 -1.26 -5.01 120.64 115.65 1ne3 n GLU 21 Ca 0.00 -0.28 -0.36 0.00 -0.06 0.00 0.00 57.16 56.46 1ne3 n GLU 21 Cb 0.00 -0.25 -0.06 0.00 -0.06 0.00 0.00 31.44 31.07 1ne3 n GLU 21 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1ne3 s VAL 22 N -1.32 4.60 0.52 6.31 -7.23 -1.26 -5.00 120.40 117.01 1ne3 s VAL 22 Ca 0.11 1.26 -0.08 0.00 -1.81 0.00 0.00 61.98 61.45 1ne3 s VAL 22 Cb -0.01 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.02 1ne3 s VAL 22 CO 0.09 0.25 0.87 0.00 -0.31 0.00 0.00 175.10 176.00 1ne3 s MET 23 N -1.88 3.62 0.20 4.82 0.23 -0.99 -4.62 119.30 120.68 1ne3 s MET 23 Ca 0.41 0.46 0.06 0.00 -1.03 0.00 0.00 55.69 55.59 1ne3 s MET 23 Cb -0.17 -2.27 -0.04 0.00 -1.53 0.00 0.00 34.83 30.83 1ne3 s MET 23 CO 0.21 -0.30 0.19 1.14 -2.03 0.00 0.00 175.02 174.23 1ne3 s GLN 24 N -4.72 3.01 0.09 3.16 -2.07 -1.13 0.14 119.66 118.14 1ne3 s GLN 24 Ca 0.51 -0.90 -0.01 0.00 -1.82 0.00 0.00 55.36 53.14 1ne3 s GLN 24 Cb -0.10 -2.67 -0.04 0.00 -1.09 0.00 0.00 33.01 29.11 1ne3 s GLN 24 CO 0.45 0.45 0.01 0.54 -1.32 0.00 0.00 175.29 175.42 1ne3 s VAL 25 N -1.91 0.23 -0.06 3.63 0.11 -0.78 -1.93 120.40 119.69 1ne3 s VAL 25 Ca 0.32 -1.87 0.04 0.00 -2.93 0.00 0.00 61.98 57.54 1ne3 s VAL 25 Cb -0.09 -1.79 0.00 0.00 -1.53 0.00 0.00 36.38 32.97 1ne3 s VAL 25 CO 0.25 -0.73 -0.18 -0.75 -3.33 0.00 0.00 175.10 170.36 1ne3 s LYS 26 N -3.97 2.09 -0.02 1.54 2.20 1.44 -3.02 119.74 119.99 1ne3 s LYS 26 Ca 0.16 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1ne3 s LYS 26 Cb 0.07 -1.71 0.02 0.00 -1.51 0.00 0.00 37.83 34.71 1ne3 s LYS 26 CO -0.04 0.17 0.01 0.00 -0.36 0.00 0.00 175.35 175.13 1ne3 s ARG 28 N 0.92 3.91 0.31 0.00 3.52 -1.20 -3.09 118.95 123.32 1ne3 s ARG 28 Ca -0.09 0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 55.57 1ne3 s ARG 28 Cb -0.12 -3.24 -0.13 0.00 -1.56 0.00 0.00 34.95 29.90 1ne3 s ARG 28 CO -0.02 0.64 1.26 -0.89 -0.81 0.00 0.00 175.30 175.48 1ne3 n ILE 29 N 2.05 1.79 0.38 4.11 5.41 0.53 -3.50 119.36 130.13 1ne3 n ILE 29 Ca -0.14 -0.45 0.06 0.00 1.00 0.00 0.00 62.75 63.22 1ne3 n ILE 29 Cb 0.53 -1.43 -0.08 0.00 -0.71 0.00 0.00 39.64 37.95 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 1.12 0.38 -3.56 1.39 4.77 -1.19 -3.17 117.00 116.75 1ne3 n LEU 30 Ca 0.07 -0.34 -0.14 0.00 -0.03 0.00 0.00 56.01 55.57 1ne3 n LEU 30 Cb 0.34 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1ne3 n LEU 30 CO 0.62 0.10 0.59 -0.62 -1.33 0.00 0.00 177.39 176.74 1ne3 s ASP 31 N -2.55 -0.54 0.00 -1.43 2.15 -1.24 -4.95 116.67 108.11 1ne3 s ASP 31 Ca 0.02 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.66 1ne3 s ASP 31 Cb 0.09 0.54 0.00 0.00 -0.30 0.00 0.00 42.92 43.25 1ne3 s ASP 31 CO 0.50 -0.44 0.00 0.61 -0.17 0.00 0.00 175.17 175.66 1ne3 n GLY 32 N 1.07 3.48 0.25 2.66 0.00 -1.26 -4.62 105.19 106.77 1ne3 n GLY 32 Ca -0.15 -1.80 0.17 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.67 1.61 1.12 -2.04 0.47 114.38 114.87 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 -2.71 3.82 -0.82 -3.80 8.00 -1.26 -5.02 116.55 114.76 1ne3 n ASP 34 Ca -0.02 -2.00 -0.10 0.00 0.71 0.00 0.00 54.79 53.38 1ne3 n ASP 34 Cb 0.09 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.73 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 1.51 0.00 -0.02 -1.24 4.81 0.17 0.44 118.16 123.82 1ne3 n LYS 35 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1ne3 n LYS 35 Cb 0.60 -0.26 0.00 0.00 0.02 0.00 0.00 35.03 35.39 1ne3 n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ne3 n GLY 36 N 0.29 1.25 3.71 3.14 0.00 -1.19 -4.99 105.19 107.40 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 -0.57 4.20 -0.07 1.61 3.52 0.17 -4.46 118.95 123.34 1ne3 s ARG 37 Ca 0.00 2.40 0.05 0.00 -0.13 0.00 0.00 55.73 58.05 1ne3 s ARG 37 Cb 0.00 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 1ne3 s ARG 37 CO 0.00 -0.65 -0.23 0.42 -0.81 0.00 0.00 175.30 174.03 1ne3 s ILE 38 N 1.42 2.25 0.11 4.11 1.09 -1.26 0.20 121.20 129.12 1ne3 s ILE 38 Ca 0.72 -0.98 0.04 0.00 -1.10 0.00 0.00 60.65 59.32 1ne3 s ILE 38 Cb -0.44 -1.85 -0.04 0.00 -1.06 0.00 0.00 42.46 39.07 1ne3 s ILE 38 CO 0.32 0.56 -0.10 -0.76 -0.10 0.00 0.00 174.94 174.86 1ne3 s LEU 39 N -0.04 2.44 -0.07 2.97 2.01 -1.18 -5.02 118.68 119.79 1ne3 s LEU 39 Ca -0.07 -0.86 0.05 0.00 0.01 0.00 0.00 54.13 53.26 1ne3 s LEU 39 Cb -0.15 -0.30 -0.00 0.00 0.01 0.00 0.00 46.19 45.75 1ne3 s LEU 39 CO 0.05 -0.29 -0.22 -0.89 1.01 0.00 0.00 176.35 176.01 1ne3 s THR 40 N -2.68 1.83 0.04 5.49 2.01 -1.26 -3.28 115.64 117.78 1ne3 s THR 40 Ca 0.08 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.12 1ne3 s THR 40 Cb -0.01 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1ne3 s THR 40 CO -0.00 0.51 0.06 -0.13 -0.69 0.00 0.00 174.62 174.37 1ne3 s ARG 41 N 0.10 0.56 -0.07 4.92 3.00 -1.17 -5.01 118.95 121.28 1ne3 s ARG 41 Ca -0.09 -0.81 -0.21 0.00 0.00 0.00 0.00 55.73 54.63 1ne3 s ARG 41 Cb -0.15 0.21 -0.04 0.00 0.00 0.00 0.00 34.95 34.97 1ne3 s ARG 41 CO 0.05 -0.13 0.59 0.54 0.00 0.00 0.00 175.30 176.35 1ne3 s ASN 42 N -2.16 6.87 -0.10 0.23 4.22 -1.26 -1.86 114.94 120.87 1ne3 s ASN 42 Ca -0.05 1.04 -0.07 0.00 -2.14 0.00 0.00 52.86 51.65 1ne3 s ASN 42 Cb -0.01 -2.35 0.04 0.00 1.28 0.00 0.00 41.25 40.20 1ne3 s ASN 42 CO -0.05 -0.02 0.24 0.54 -2.04 0.00 0.00 177.10 175.77 1ne3 s VAL 43 N 0.51 -0.02 -0.18 3.54 0.11 0.37 -4.95 120.40 119.78 1ne3 s VAL 43 Ca 0.32 0.08 -0.18 0.00 -2.93 0.00 0.00 61.98 59.26 1ne3 s VAL 43 Cb -0.17 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1ne3 s VAL 43 CO 0.15 0.03 0.50 -0.32 -3.33 0.00 0.00 175.10 172.13 1ne3 s MET 44 N 0.72 4.23 0.00 1.54 1.75 -1.26 -2.33 119.30 123.95 1ne3 s MET 44 Ca -0.05 0.40 0.00 0.00 -1.25 0.00 0.00 55.69 54.80 1ne3 s MET 44 Cb -0.06 -3.52 0.00 0.00 2.84 0.00 0.00 34.83 34.09 1ne3 s MET 44 CO -0.04 -0.05 0.00 0.41 -0.65 0.00 0.00 175.02 174.69 1ne3 n GLY 45 N 3.71 4.12 3.56 2.11 0.00 -1.26 -4.99 105.19 112.44 1ne3 n GLY 45 Ca -0.06 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.90 3.12 -0.12 1.61 0.04 -1.26 -4.88 135.00 130.60 1ne3 s PRO 46 Ca 0.00 -0.89 0.01 0.00 0.04 0.00 0.00 61.00 60.16 1ne3 s PRO 46 Cb 0.00 -5.25 0.02 0.00 0.04 0.00 0.00 34.50 29.31 1ne3 s PRO 46 CO 0.00 -2.84 -0.13 -1.50 0.04 0.00 0.00 177.00 172.56 1ne3 s ILE 47 N 7.49 1.41 0.17 0.56 2.07 -1.26 -5.13 121.20 126.51 1ne3 s ILE 47 Ca 0.58 -0.57 0.06 0.00 -1.41 0.00 0.00 60.65 59.32 1ne3 s ILE 47 Cb -0.02 -1.32 -0.04 0.00 0.13 0.00 0.00 42.46 41.20 1ne3 s ILE 47 CO -0.02 0.43 -0.13 0.00 -1.91 0.00 0.00 174.94 173.30 1ne3 s ARG 48 N 1.25 1.19 0.21 3.50 3.03 -1.26 -4.95 118.95 121.91 1ne3 s ARG 48 Ca -0.01 -1.47 -0.29 0.00 2.03 0.00 0.00 55.73 55.98 1ne3 s ARG 48 Cb -0.14 -0.93 -0.16 0.00 -1.03 0.00 0.00 34.95 32.68 1ne3 s ARG 48 CO -0.05 0.15 0.68 -0.85 -1.13 0.00 0.00 175.30 174.10 1ne3 n GLU 49 N -0.12 0.33 0.00 3.89 0.28 -1.26 -2.86 120.64 120.89 1ne3 n GLU 49 Ca -0.10 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1ne3 n GLU 49 Cb 0.60 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 32.22 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 1.81 2.31 3.92 -1.84 0.00 0.46 -4.91 105.19 106.95 1ne3 n GLY 50 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1ne3 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ne3 s ASP 51 N -1.84 4.49 -0.23 1.61 1.11 -1.14 -4.68 116.67 115.99 1ne3 s ASP 51 Ca 0.00 0.50 -0.09 0.00 0.18 0.00 0.00 52.55 53.13 1ne3 s ASP 51 Cb 0.00 -1.01 -0.05 0.00 1.07 0.00 0.00 42.92 42.93 1ne3 s ASP 51 CO 0.00 -1.85 0.13 -0.63 1.18 0.00 0.00 175.17 174.00 1ne3 s ILE 52 N -3.42 5.12 -0.01 0.77 1.09 -1.26 0.24 121.20 123.72 1ne3 s ILE 52 Ca 0.63 0.09 0.03 0.00 -1.10 0.00 0.00 60.65 60.30 1ne3 s ILE 52 Cb -0.10 -3.37 -0.01 0.00 -1.06 0.00 0.00 42.46 37.93 1ne3 s ILE 52 CO 0.47 0.37 -0.11 -0.76 -0.10 0.00 0.00 174.94 174.81 1ne3 s LEU 53 N 0.97 1.99 0.03 2.97 1.02 0.25 -4.87 118.68 121.04 1ne3 s LEU 53 Ca 0.06 -0.20 -0.19 0.00 0.02 0.00 0.00 54.13 53.83 1ne3 s LEU 53 Cb -0.13 -0.56 -0.06 0.00 0.02 0.00 0.00 46.19 45.46 1ne3 s LEU 53 CO 0.03 0.13 0.54 -0.04 0.02 0.00 0.00 176.35 177.03 1ne3 s MET 54 N -0.20 4.19 -0.38 1.70 -1.94 -1.26 -1.33 119.30 120.08 1ne3 s MET 54 Ca 0.03 0.67 -0.13 0.00 -1.71 0.00 0.00 55.69 54.55 1ne3 s MET 54 Cb -0.05 -3.27 0.02 0.00 2.01 0.00 0.00 34.83 33.54 1ne3 s MET 54 CO -0.00 0.56 0.25 -0.51 -0.01 0.00 0.00 175.02 175.31 1ne3 s LEU 55 N -0.81 4.84 0.05 -0.03 2.01 -0.14 -4.76 118.68 119.84 1ne3 s LEU 55 Ca 0.28 -0.86 -0.18 0.00 0.01 0.00 0.00 54.13 53.39 1ne3 s LEU 55 Cb -0.19 -2.10 -0.06 0.00 0.01 0.00 0.00 46.19 43.85 1ne3 s LEU 55 CO 0.17 -0.39 0.52 -0.22 1.01 0.00 0.00 176.35 177.45 1ne3 s LEU 56 N 1.64 4.51 -0.01 1.79 1.98 -1.26 -0.47 118.68 126.85 1ne3 s LEU 56 Ca 0.04 1.17 -0.34 0.00 -2.89 0.00 0.00 54.13 52.12 1ne3 s LEU 56 Cb -0.19 -2.81 -0.12 0.00 0.66 0.00 0.00 46.19 43.74 1ne3 s LEU 56 CO 0.09 0.28 1.82 -0.67 -1.89 0.00 0.00 176.35 175.98 1ne3 n ASP 57 N 1.79 3.45 -4.64 3.68 -0.08 -1.26 -4.93 116.55 114.55 1ne3 n ASP 57 Ca -0.11 0.99 -0.38 0.00 -1.51 0.00 0.00 54.79 53.78 1ne3 n ASP 57 Cb 0.51 -1.40 -0.09 0.00 2.34 0.00 0.00 41.12 42.48 1ne3 n ASP 57 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1ne3 s THR 58 N 3.29 5.27 -0.22 5.18 2.01 -1.26 -5.05 115.64 124.86 1ne3 s THR 58 Ca 0.89 0.41 -0.28 0.00 0.31 0.00 0.00 61.69 63.01 1ne3 s THR 58 Cb -0.66 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.24 1ne3 s THR 58 CO 0.47 0.27 1.00 -0.51 -0.69 0.00 0.00 174.62 175.16 1ne3 s ILE 59 N 1.44 4.71 -0.19 1.82 -1.16 -1.26 -5.02 121.20 121.55 1ne3 s ILE 59 Ca 0.12 1.96 -0.14 0.00 -0.51 0.00 0.00 60.65 62.09 1ne3 s ILE 59 Cb -0.15 -4.28 -0.05 0.00 0.61 0.00 0.00 42.46 38.60 1ne3 s ILE 59 CO 0.08 -0.15 0.29 0.00 -2.81 0.00 0.00 174.94 172.35 1ne3 s ARG 60 N 3.02 4.19 0.11 3.50 1.04 -1.26 -5.05 118.95 124.51 1ne3 s ARG 60 Ca 0.43 0.03 -0.31 0.00 -1.04 0.00 0.00 55.73 54.84 1ne3 s ARG 60 Cb -0.15 -3.48 -0.08 0.00 -2.04 0.00 0.00 34.95 29.20 1ne3 s ARG 60 CO 0.07 0.12 1.35 -1.83 -0.04 0.00 0.00 175.30 174.97 1ne3 s GLU 61 N 0.84 4.34 -0.15 3.89 -1.05 -1.26 -5.01 118.70 120.31 1ne3 s GLU 61 Ca 0.15 2.02 -0.08 0.00 -0.15 0.00 0.00 54.97 56.91 1ne3 s GLU 61 Cb -0.13 -3.26 -0.04 0.00 -0.44 0.00 0.00 34.13 30.25 1ne3 s GLU 61 CO 0.05 -0.39 0.12 0.00 0.95 0.00 0.00 175.26 175.99 1ne3 s ALA 62 N 1.01 3.74 -0.20 -0.84 0.00 -1.26 -5.08 121.76 119.13 1ne3 s ALA 62 Ca 0.63 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.78 1ne3 s ALA 62 Cb -0.36 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 1ne3 s ALA 62 CO 0.31 0.43 0.27 0.21 0.00 0.00 0.00 175.76 176.98 1ne3 s LYS 63 N -0.45 4.17 0.15 0.00 2.47 -1.26 -5.08 119.74 119.74 1ne3 s LYS 63 Ca 0.12 -0.02 0.01 0.00 -1.56 0.00 0.00 55.97 54.52 1ne3 s LYS 63 Cb -0.12 -3.50 -0.04 0.00 -1.46 0.00 0.00 37.83 32.72 1ne3 s LYS 63 CO 0.02 0.10 0.31 -2.00 0.16 0.00 0.00 175.35 173.94 1ne3 s GLU 64 N 0.91 3.47 -0.04 4.03 2.12 -1.26 -5.08 118.70 122.85 1ne3 s GLU 64 Ca 0.14 -0.48 -0.26 0.00 0.36 0.00 0.00 54.97 54.73 1ne3 s GLU 64 Cb -0.13 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 1ne3 s GLU 64 CO 0.05 0.49 0.79 0.42 -0.54 0.00 0.00 175.26 176.47 1ne3 s ILE 65 N -1.75 4.99 -0.18 -3.70 1.01 -1.26 -5.03 121.20 115.29 1ne3 s ILE 65 Ca 0.36 1.65 -0.21 0.00 0.00 0.00 0.00 60.65 62.45 1ne3 s ILE 65 Cb -0.11 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1ne3 s ILE 65 CO 0.28 0.22 0.66 -0.60 0.00 0.00 0.00 174.94 175.50 1ne3 s ARG 66 N 0.87 4.25 0.09 2.79 3.52 -1.26 -5.06 118.95 124.15 1ne3 s ARG 66 Ca 0.42 0.69 0.09 0.00 -0.13 0.00 0.00 55.73 56.80 1ne3 s ARG 66 Cb -0.19 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 1ne3 s ARG 66 CO 0.21 -0.20 -0.24 0.95 -0.81 0.00 0.00 175.30 175.21 1ne3 s THR 67 N 1.77 2.43 -2.00 4.11 -4.23 -1.26 -5.36 115.64 111.10 1ne3 s THR 67 Ca 0.31 -1.52 0.24 0.00 -1.18 0.00 0.00 61.69 59.54 1ne3 s THR 67 Cb -0.16 -2.04 0.68 0.00 1.34 0.00 0.00 72.50 72.32 1ne3 s THR 67 CO 0.11 0.21 1.80 -0.81 -0.54 0.00 0.00 174.62 175.39