#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 0.29 -0.85 7.83 3.32 -2.02 -3.35 116.42 121.64 1ne3 h ASP 2 Ca 0.00 -0.39 0.11 0.00 0.02 0.00 0.00 57.03 56.78 1ne3 h ASP 2 Cb 0.00 -0.09 -0.13 0.00 0.22 0.00 0.00 39.33 39.33 1ne3 h ASP 2 CO 0.00 1.32 -0.47 0.44 -1.72 0.00 0.00 179.24 178.81 1ne3 h ASP 3 N 0.05 -1.67 -3.50 6.45 3.32 -2.05 -3.38 116.42 115.62 1ne3 h ASP 3 Ca -0.20 0.29 -0.67 0.00 0.02 0.00 0.00 57.03 56.47 1ne3 h ASP 3 Cb 1.97 0.79 -0.16 0.00 0.22 0.00 0.00 39.33 42.16 1ne3 h ASP 3 CO 0.15 -0.29 -0.68 0.00 -1.72 0.00 0.00 179.24 176.70 1ne3 s ALA 4 N -5.78 3.12 -0.03 3.45 0.00 -1.26 -4.37 121.76 116.90 1ne3 s ALA 4 Ca -0.13 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 1ne3 s ALA 4 Cb 0.15 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1ne3 s ALA 4 CO 0.67 0.63 0.20 0.99 0.00 0.00 0.00 175.76 178.25 1ne3 s THR 5 N -1.04 5.40 -0.37 0.00 2.01 -0.92 -4.62 115.64 116.10 1ne3 s THR 5 Ca 0.18 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 1ne3 s THR 5 Cb -0.11 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.89 1ne3 s THR 5 CO 0.09 0.43 1.39 -2.16 -0.69 0.00 0.00 174.62 173.68 1ne3 s PRO 6 N -1.60 3.67 0.13 4.92 0.04 -1.26 -2.71 135.00 138.19 1ne3 s PRO 6 Ca 0.24 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.38 1ne3 s PRO 6 Cb -0.13 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 1ne3 s PRO 6 CO 0.14 -1.44 -0.13 0.00 0.04 0.00 0.00 177.00 175.61 1ne3 s ALA 7 N 5.14 1.47 -0.12 8.56 0.00 -1.03 -3.91 121.76 131.88 1ne3 s ALA 7 Ca 0.60 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1ne3 s ALA 7 Cb -0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1ne3 s ALA 7 CO 0.30 0.03 -0.10 -1.21 0.00 0.00 0.00 175.76 174.78 1ne3 s GLU 8 N -3.03 3.28 0.21 0.00 2.02 -1.25 -0.12 118.70 119.81 1ne3 s GLU 8 Ca 0.11 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 54.17 1ne3 s GLU 8 Cb -0.02 -2.67 -0.15 0.00 0.10 0.00 0.00 34.13 31.38 1ne3 s GLU 8 CO 0.02 0.33 1.14 0.28 0.02 0.00 0.00 175.26 177.05 1ne3 n VAL 9 N 3.22 1.22 -0.03 2.63 0.31 0.60 -3.68 118.33 122.60 1ne3 n VAL 9 Ca -0.18 -0.30 -0.04 0.00 -0.01 0.00 0.00 64.34 63.81 1ne3 n VAL 9 Cb 0.53 -0.95 -0.02 0.00 -0.91 0.00 0.00 33.84 32.48 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 1.17 0.29 -4.17 2.52 -6.64 0.07 0.32 119.36 112.93 1ne3 n ILE 10 Ca 0.13 -0.11 -0.18 0.00 -1.77 0.00 0.00 62.75 60.83 1ne3 n ILE 10 Cb 0.27 -0.79 -0.12 0.00 -1.44 0.00 0.00 39.64 37.57 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 -2.10 0.82 -0.15 6.28 2.12 0.61 -4.71 118.70 121.57 1ne3 s GLU 11 Ca -0.07 -0.99 0.01 0.00 0.36 0.00 0.00 54.97 54.28 1ne3 s GLU 11 Cb 0.02 -0.78 0.02 0.00 0.26 0.00 0.00 34.13 33.65 1ne3 s GLU 11 CO 0.12 0.16 -0.17 0.08 -0.54 0.00 0.00 175.26 174.91 1ne3 s VAL 12 N -1.47 1.75 -0.40 3.70 1.01 -1.26 0.34 120.40 124.06 1ne3 s VAL 12 Ca -0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1ne3 s VAL 12 Cb -0.09 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.76 1ne3 s VAL 12 CO 0.02 0.49 0.23 -0.76 0.00 0.00 0.00 175.10 175.08 1ne3 s LEU 13 N 1.26 5.00 0.12 3.92 1.43 -0.84 -4.87 118.68 124.70 1ne3 s LEU 13 Ca 0.01 -1.44 0.02 0.00 -1.03 0.00 0.00 54.13 51.70 1ne3 s LEU 13 Cb -0.14 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1ne3 s LEU 13 CO -0.09 -0.49 -0.07 -1.59 0.23 0.00 0.00 176.35 174.34 1ne3 s LYS 14 N 1.42 0.92 -0.16 1.70 -2.85 -1.26 -2.43 119.74 117.07 1ne3 s LYS 14 Ca 0.02 -1.38 -0.01 0.00 -1.00 0.00 0.00 55.97 53.60 1ne3 s LYS 14 Cb -0.22 -0.30 0.04 0.00 -2.06 0.00 0.00 37.83 35.29 1ne3 s LYS 14 CO 0.02 -0.01 -0.03 0.50 0.10 0.00 0.00 175.35 175.93 1ne3 s ARG 15 N -3.83 1.17 0.14 1.78 3.52 -1.26 -5.07 118.95 115.41 1ne3 s ARG 15 Ca 0.14 -0.41 0.07 0.00 -0.13 0.00 0.00 55.73 55.40 1ne3 s ARG 15 Cb 0.05 -1.88 -0.04 0.00 -1.56 0.00 0.00 34.95 31.52 1ne3 s ARG 15 CO -0.03 -0.45 -0.02 -0.08 -0.81 0.00 0.00 175.30 173.91 1ne3 s THR 16 N 1.72 3.71 0.00 4.11 -1.32 -1.26 -4.73 115.64 117.87 1ne3 s THR 16 Ca 0.01 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.18 1ne3 s THR 16 Cb -0.15 -2.82 0.00 0.00 -1.51 0.00 0.00 72.50 68.02 1ne3 s THR 16 CO -0.07 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 1ne3 n GLY 17 N 0.17 -1.47 1.73 6.08 0.00 -1.26 -4.99 105.19 105.45 1ne3 n GLY 17 Ca -0.11 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.32 1.61 1.56 -1.26 -5.09 117.12 109.63 1ne3 n MET 18 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.08 1ne3 n MET 18 Cb 0.00 -0.14 -0.09 0.00 2.15 0.00 0.00 33.22 35.14 1ne3 n MET 18 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1ne3 s THR 19 N -2.00 4.40 0.00 1.12 -4.23 -1.26 -5.06 115.64 108.61 1ne3 s THR 19 Ca 0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1ne3 s THR 19 Cb 0.00 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1ne3 s THR 19 CO 0.00 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1ne3 n GLY 20 N 2.00 -0.64 0.45 3.99 0.00 -1.26 -4.78 105.19 104.95 1ne3 n GLY 20 Ca -0.18 0.86 -0.18 0.00 0.00 0.00 0.00 46.02 46.52 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 0.37 -5.19 1.61 2.13 -1.26 -5.01 120.64 113.29 1ne3 n GLU 21 Ca 0.00 0.16 -0.31 0.00 0.66 0.00 0.00 57.16 57.67 1ne3 n GLU 21 Cb 0.00 -1.12 -0.15 0.00 0.27 0.00 0.00 31.44 30.44 1ne3 n GLU 21 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ne3 s VAL 22 N -2.35 2.32 0.24 6.31 1.01 -1.26 -4.81 120.40 121.86 1ne3 s VAL 22 Ca -0.24 -1.01 0.10 0.00 0.00 0.00 0.00 61.98 60.83 1ne3 s VAL 22 Cb 0.09 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1ne3 s VAL 22 CO 0.31 0.58 -0.19 0.00 0.00 0.00 0.00 175.10 175.80 1ne3 s MET 23 N -0.65 1.53 0.23 2.72 0.23 -1.18 -4.93 119.30 117.24 1ne3 s MET 23 Ca 0.10 -1.66 0.09 0.00 -1.03 0.00 0.00 55.69 53.20 1ne3 s MET 23 Cb -0.10 -1.57 -0.04 0.00 -1.53 0.00 0.00 34.83 31.59 1ne3 s MET 23 CO -0.01 0.30 -0.06 1.14 -2.03 0.00 0.00 175.02 174.36 1ne3 s GLN 24 N -3.37 2.15 0.06 3.16 -2.07 -1.02 0.20 119.66 118.78 1ne3 s GLN 24 Ca 0.25 -1.38 0.03 0.00 -1.82 0.00 0.00 55.36 52.44 1ne3 s GLN 24 Cb -0.04 -2.13 -0.03 0.00 -1.09 0.00 0.00 33.01 29.72 1ne3 s GLN 24 CO 0.11 0.39 -0.09 0.54 -1.32 0.00 0.00 175.29 174.92 1ne3 s VAL 25 N -2.08 0.71 -0.22 3.63 0.11 -0.92 -1.98 120.40 119.65 1ne3 s VAL 25 Ca 0.29 -1.25 -0.07 0.00 -2.93 0.00 0.00 61.98 58.01 1ne3 s VAL 25 Cb -0.07 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1ne3 s VAL 25 CO 0.18 -0.41 0.06 -0.75 -3.33 0.00 0.00 175.10 170.84 1ne3 s LYS 26 N -1.93 3.74 -0.03 1.54 2.20 1.04 -3.50 119.74 122.80 1ne3 s LYS 26 Ca -0.05 -0.45 0.04 0.00 -0.36 0.00 0.00 55.97 55.15 1ne3 s LYS 26 Cb -0.08 -3.25 -0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1ne3 s LYS 26 CO 0.00 -0.02 -0.14 0.00 -0.36 0.00 0.00 175.35 174.83 1ne3 s ARG 28 N -0.00 3.06 0.30 0.00 3.00 -1.24 -2.46 118.95 121.60 1ne3 s ARG 28 Ca -0.01 -0.44 -0.29 0.00 -1.00 0.00 0.00 55.73 53.99 1ne3 s ARG 28 Cb -0.09 -2.79 -0.13 0.00 0.00 0.00 0.00 34.95 31.94 1ne3 s ARG 28 CO 0.01 0.63 1.31 -0.89 0.00 0.00 0.00 175.30 176.35 1ne3 n ILE 29 N 2.37 1.60 0.02 4.11 5.41 0.62 -3.85 119.36 129.65 1ne3 n ILE 29 Ca -0.18 -0.40 0.07 0.00 1.00 0.00 0.00 62.75 63.24 1ne3 n ILE 29 Cb 0.53 -1.48 -0.11 0.00 -0.71 0.00 0.00 39.64 37.88 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 1.34 0.03 -3.64 1.39 4.77 -1.25 -3.11 117.00 116.52 1ne3 n LEU 30 Ca 0.08 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1ne3 n LEU 30 Cb 0.34 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1ne3 n LEU 30 CO 0.62 0.01 0.60 1.51 -1.33 0.00 0.00 177.39 178.80 1ne3 s ASP 31 N -3.57 -0.59 0.00 -1.43 -4.77 -1.26 -4.89 116.67 100.16 1ne3 s ASP 31 Ca -0.05 1.10 0.00 0.00 -3.30 0.00 0.00 52.55 50.30 1ne3 s ASP 31 Cb 0.09 1.14 0.00 0.00 -1.09 0.00 0.00 42.92 43.06 1ne3 s ASP 31 CO 0.59 -0.19 0.00 0.61 0.70 0.00 0.00 175.17 176.88 1ne3 n GLY 32 N 2.73 1.70 0.28 2.12 0.00 -1.26 -4.59 105.19 106.18 1ne3 n GLY 32 Ca -0.14 -1.43 0.19 0.00 0.00 0.00 0.00 46.02 44.64 1ne3 n GLY 32 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ne3 h ARG 33 N 0.00 0.00 -0.33 1.61 0.11 -2.02 0.28 114.38 114.04 1ne3 h ARG 33 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ne3 h ARG 33 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1ne3 h ARG 33 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 1ne3 n ASP 34 N -2.85 2.88 0.00 0.08 8.00 -1.26 -5.04 116.55 118.36 1ne3 n ASP 34 Ca -0.02 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.56 1ne3 n ASP 34 Cb 0.10 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 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 0.64 0.00 0.00 -1.24 4.81 0.99 -0.42 118.16 122.94 1ne3 n LYS 35 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1ne3 n LYS 35 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 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 0.00 0.76 3.72 3.14 0.00 -1.18 -4.98 105.19 106.66 1ne3 n GLY 36 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.49 4.18 -0.05 1.61 3.52 0.44 -4.41 118.95 123.76 1ne3 s ARG 37 Ca 0.00 2.45 0.06 0.00 -0.13 0.00 0.00 55.73 58.11 1ne3 s ARG 37 Cb 0.00 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 30.26 1ne3 s ARG 37 CO 0.00 -0.64 -0.22 0.42 -0.81 0.00 0.00 175.30 174.04 1ne3 s ILE 38 N 0.99 2.33 0.06 4.11 1.09 -1.26 0.23 121.20 128.75 1ne3 s ILE 38 Ca 0.70 -0.99 0.01 0.00 -1.10 0.00 0.00 60.65 59.28 1ne3 s ILE 38 Cb -0.46 -1.85 -0.03 0.00 -1.06 0.00 0.00 42.46 39.05 1ne3 s ILE 38 CO 0.33 0.58 -0.05 -0.76 -0.10 0.00 0.00 174.94 174.94 1ne3 s LEU 39 N -0.43 2.39 -0.05 2.97 2.01 -1.03 -5.01 118.68 119.53 1ne3 s LEU 39 Ca 0.04 -0.80 0.05 0.00 0.01 0.00 0.00 54.13 53.44 1ne3 s LEU 39 Cb -0.12 -0.01 -0.01 0.00 0.01 0.00 0.00 46.19 46.07 1ne3 s LEU 39 CO 0.01 -0.40 -0.21 -0.89 1.01 0.00 0.00 176.35 175.87 1ne3 s THR 40 N -2.74 1.78 0.01 5.49 2.01 -1.26 -3.15 115.64 117.78 1ne3 s THR 40 Ca 0.00 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 1ne3 s THR 40 Cb -0.01 -1.52 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 1ne3 s THR 40 CO -0.04 0.50 0.11 -0.13 -0.69 0.00 0.00 174.62 174.37 1ne3 s ARG 41 N -0.02 0.48 -0.23 4.92 3.00 -1.23 -5.03 118.95 120.84 1ne3 s ARG 41 Ca -0.05 -0.50 -0.19 0.00 0.00 0.00 0.00 55.73 54.99 1ne3 s ARG 41 Cb -0.13 0.19 -0.03 0.00 0.00 0.00 0.00 34.95 34.99 1ne3 s ARG 41 CO 0.03 -0.11 0.56 -0.80 0.00 0.00 0.00 175.30 174.98 1ne3 s ASN 42 N -1.54 6.54 -0.02 0.23 0.01 -1.26 -2.16 114.94 116.73 1ne3 s ASN 42 Ca -0.13 0.65 0.01 0.00 -0.71 0.00 0.00 52.86 52.68 1ne3 s ASN 42 Cb -0.07 -2.31 0.02 0.00 0.41 0.00 0.00 41.25 39.31 1ne3 s ASN 42 CO 0.00 -0.28 -0.01 0.54 -1.51 0.00 0.00 177.10 175.84 1ne3 s VAL 43 N 2.12 0.22 -0.14 1.60 0.11 0.54 -4.92 120.40 119.94 1ne3 s VAL 43 Ca 0.24 0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 59.07 1ne3 s VAL 43 Cb -0.16 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1ne3 s VAL 43 CO 0.09 0.13 0.75 -0.32 -3.33 0.00 0.00 175.10 172.42 1ne3 s MET 44 N 0.76 4.33 0.00 1.54 1.75 -1.26 -3.13 119.30 123.30 1ne3 s MET 44 Ca -0.08 0.89 0.00 0.00 -1.25 0.00 0.00 55.69 55.26 1ne3 s MET 44 Cb -0.11 -3.53 0.00 0.00 2.84 0.00 0.00 34.83 34.03 1ne3 s MET 44 CO -0.01 -0.17 0.00 0.41 -0.65 0.00 0.00 175.02 174.60 1ne3 n GLY 45 N 3.40 4.38 3.56 2.11 0.00 -1.26 -5.00 105.19 112.39 1ne3 n GLY 45 Ca 0.01 -1.49 -0.34 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 -3.15 3.12 -0.11 1.61 0.04 -1.26 -4.91 135.00 130.33 1ne3 s PRO 46 Ca 0.00 -0.88 0.01 0.00 0.04 0.00 0.00 61.00 60.17 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 -0.14 -1.50 0.04 0.00 0.00 177.00 172.56 1ne3 s ILE 47 N 7.48 1.41 0.25 0.56 2.07 -1.26 -5.13 121.20 126.58 1ne3 s ILE 47 Ca 0.58 -0.58 0.06 0.00 -1.41 0.00 0.00 60.65 59.30 1ne3 s ILE 47 Cb -0.02 -1.31 -0.05 0.00 0.13 0.00 0.00 42.46 41.21 1ne3 s ILE 47 CO -0.02 0.42 -0.06 0.00 -1.91 0.00 0.00 174.94 173.37 1ne3 s ARG 48 N 1.10 1.43 0.10 3.50 3.03 -1.26 -4.93 118.95 121.93 1ne3 s ARG 48 Ca -0.05 -1.71 -0.34 0.00 2.03 0.00 0.00 55.73 55.67 1ne3 s ARG 48 Cb -0.14 -0.97 -0.18 0.00 -1.03 0.00 0.00 34.95 32.62 1ne3 s ARG 48 CO -0.03 0.02 0.78 -0.85 -1.13 0.00 0.00 175.30 174.09 1ne3 n GLU 49 N -0.49 0.00 0.00 3.89 0.28 -1.26 -2.40 120.64 120.66 1ne3 n GLU 49 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1ne3 n GLU 49 Cb 0.63 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.27 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 1.75 2.29 3.84 -1.84 0.00 0.15 -4.91 105.19 106.47 1ne3 n GLY 50 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.79 6.81 0.10 1.61 1.11 -1.01 -4.57 116.67 118.92 1ne3 s ASP 51 Ca 0.00 1.53 -0.24 0.00 0.18 0.00 0.00 52.55 54.03 1ne3 s ASP 51 Cb 0.00 -2.48 -0.07 0.00 1.07 0.00 0.00 42.92 41.44 1ne3 s ASP 51 CO 0.00 -0.37 0.71 -0.63 1.18 0.00 0.00 175.17 176.06 1ne3 s ILE 52 N -2.24 4.58 0.11 0.77 1.09 -1.26 0.22 121.20 124.47 1ne3 s ILE 52 Ca 0.59 1.54 0.02 0.00 -1.10 0.00 0.00 60.65 61.70 1ne3 s ILE 52 Cb -0.10 -4.06 -0.04 0.00 -1.06 0.00 0.00 42.46 37.20 1ne3 s ILE 52 CO 0.19 0.48 -0.05 -0.76 -0.10 0.00 0.00 174.94 174.70 1ne3 s LEU 53 N -0.79 2.44 -0.22 2.97 1.02 0.82 -4.90 118.68 120.02 1ne3 s LEU 53 Ca 0.35 -1.03 -0.08 0.00 0.02 0.00 0.00 54.13 53.38 1ne3 s LEU 53 Cb -0.21 -0.05 -0.04 0.00 0.02 0.00 0.00 46.19 45.91 1ne3 s LEU 53 CO 0.23 -0.49 0.08 -0.04 0.02 0.00 0.00 176.35 176.15 1ne3 s MET 54 N -3.85 3.84 -0.41 1.70 -1.94 -1.26 -2.46 119.30 114.92 1ne3 s MET 54 Ca 0.14 -0.40 -0.14 0.00 -1.71 0.00 0.00 55.69 53.58 1ne3 s MET 54 Cb 0.06 -3.32 0.03 0.00 2.01 0.00 0.00 34.83 33.60 1ne3 s MET 54 CO -0.04 0.02 0.28 -0.51 -0.01 0.00 0.00 175.02 174.77 1ne3 s LEU 55 N 1.08 5.06 -0.10 -0.03 2.01 -1.10 -4.88 118.68 120.72 1ne3 s LEU 55 Ca 0.05 -1.00 -0.03 0.00 0.01 0.00 0.00 54.13 53.15 1ne3 s LEU 55 Cb -0.14 -2.12 -0.03 0.00 0.01 0.00 0.00 46.19 43.91 1ne3 s LEU 55 CO 0.03 -0.46 0.04 -0.22 1.01 0.00 0.00 176.35 176.75 1ne3 s LEU 56 N 1.63 3.78 0.02 1.79 2.96 -1.26 -2.16 118.68 125.44 1ne3 s LEU 56 Ca 0.04 0.22 -0.33 0.00 -0.22 0.00 0.00 54.13 53.84 1ne3 s LEU 56 Cb -0.20 -1.88 -0.12 0.00 0.50 0.00 0.00 46.19 44.50 1ne3 s LEU 56 CO 0.08 0.38 1.83 -0.67 -1.32 0.00 0.00 176.35 176.66 1ne3 n ASP 57 N 2.12 3.60 -4.77 3.68 2.03 -1.26 -4.92 116.55 117.03 1ne3 n ASP 57 Ca -0.19 0.99 -0.39 0.00 0.52 0.00 0.00 54.79 55.71 1ne3 n ASP 57 Cb 0.54 -1.44 -0.04 0.00 -0.72 0.00 0.00 41.12 39.47 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 3.27 3.42 -0.32 5.18 -1.32 -1.26 -5.00 115.64 119.61 1ne3 s THR 58 Ca 0.88 1.32 -0.19 0.00 -1.21 0.00 0.00 61.69 62.49 1ne3 s THR 58 Cb -0.61 -3.80 -0.01 0.00 -1.51 0.00 0.00 72.50 66.57 1ne3 s THR 58 CO 0.45 0.23 0.55 -0.63 -2.21 0.00 0.00 174.62 173.01 1ne3 s ILE 59 N -1.30 5.00 -0.17 5.08 1.01 -1.26 -5.04 121.20 124.52 1ne3 s ILE 59 Ca 0.49 0.58 -0.21 0.00 0.00 0.00 0.00 60.65 61.52 1ne3 s ILE 59 Cb -0.30 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1ne3 s ILE 59 CO 0.39 -0.15 0.64 -0.60 0.00 0.00 0.00 174.94 175.22 1ne3 s ARG 60 N 2.46 4.26 0.19 2.79 3.00 -1.26 -5.06 118.95 125.33 1ne3 s ARG 60 Ca 0.21 0.66 0.05 0.00 -1.00 0.00 0.00 55.73 55.65 1ne3 s ARG 60 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 34.95 31.22 1ne3 s ARG 60 CO 0.12 -0.16 0.21 -2.00 0.00 0.00 0.00 175.30 173.47 1ne3 s GLU 61 N 1.62 3.08 0.44 5.12 2.56 -1.26 -5.08 118.70 125.18 1ne3 s GLU 61 Ca 0.30 -0.84 -0.24 0.00 0.00 0.00 0.00 54.97 54.19 1ne3 s GLU 61 Cb -0.16 -2.72 -0.08 0.00 2.00 0.00 0.00 34.13 33.17 1ne3 s GLU 61 CO 0.12 0.47 1.27 0.00 -0.56 0.00 0.00 175.26 176.56 1ne3 s ALA 62 N -1.85 3.10 -0.24 6.30 0.00 -1.26 -4.97 121.76 122.83 1ne3 s ALA 62 Ca 0.32 1.16 -0.21 0.00 0.00 0.00 0.00 51.96 53.24 1ne3 s ALA 62 Cb -0.10 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 1ne3 s ALA 62 CO 0.25 -0.87 0.64 0.21 0.00 0.00 0.00 175.76 176.00 1ne3 s LYS 63 N -2.48 4.14 0.17 0.00 2.36 -1.26 -5.05 119.74 117.61 1ne3 s LYS 63 Ca 0.61 0.59 0.05 0.00 -2.55 0.00 0.00 55.97 54.67 1ne3 s LYS 63 Cb -0.36 -3.63 -0.04 0.00 -1.05 0.00 0.00 37.83 32.75 1ne3 s LYS 63 CO 0.44 -0.38 0.17 -1.83 1.55 0.00 0.00 175.35 175.30 1ne3 s GLU 64 N 2.40 3.00 -0.25 4.03 1.03 -1.26 -5.07 118.70 122.58 1ne3 s GLU 64 Ca 0.27 -0.83 -0.29 0.00 0.03 0.00 0.00 54.97 54.15 1ne3 s GLU 64 Cb -0.16 -2.70 0.00 0.00 -0.80 0.00 0.00 34.13 30.48 1ne3 s GLU 64 CO 0.09 0.49 1.18 0.42 -1.33 0.00 0.00 175.26 176.11 1ne3 s ILE 65 N -1.77 4.38 -0.19 1.83 1.01 -1.26 -4.98 121.20 120.22 1ne3 s ILE 65 Ca 0.32 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 62.30 1ne3 s ILE 65 Cb -0.10 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.16 1ne3 s ILE 65 CO 0.24 -0.32 1.23 -0.60 0.00 0.00 0.00 174.94 175.50 1ne3 s ARG 66 N 3.65 4.21 0.16 2.79 3.52 -1.26 -5.02 118.95 127.00 1ne3 s ARG 66 Ca 0.51 1.58 -0.10 0.00 -0.13 0.00 0.00 55.73 57.59 1ne3 s ARG 66 Cb -0.17 -3.76 -0.06 0.00 -1.56 0.00 0.00 34.95 29.40 1ne3 s ARG 66 CO 0.15 -0.73 0.48 0.95 -0.81 0.00 0.00 175.30 175.34 1ne3 s THR 67 N 3.53 4.99 -2.00 4.11 -4.23 -1.26 -5.36 115.64 115.43 1ne3 s THR 67 Ca 0.53 0.48 0.24 0.00 -1.18 0.00 0.00 61.69 61.76 1ne3 s THR 67 Cb -0.20 -3.65 0.68 0.00 1.34 0.00 0.00 72.50 70.67 1ne3 s THR 67 CO 0.14 0.11 1.80 -0.81 -0.54 0.00 0.00 174.62 175.32