#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 2.04 -4.09 6.12 -0.08 -1.26 -4.79 116.55 114.49 1ne3 n ASP 2 Ca 0.00 -0.05 -0.36 0.00 -1.51 0.00 0.00 54.79 52.87 1ne3 n ASP 2 Cb 0.00 0.28 0.06 0.00 2.34 0.00 0.00 41.12 43.79 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 -2.78 -4.70 -4.83 1.67 8.00 -1.26 -3.98 116.55 108.66 1ne3 n ASP 3 Ca -0.28 0.16 -0.35 0.00 0.71 0.00 0.00 54.79 55.03 1ne3 n ASP 3 Cb 0.90 -0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.08 3.46 -0.07 2.24 0.00 -1.26 -4.66 121.76 119.39 1ne3 s ALA 4 Ca 0.43 0.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 1ne3 s ALA 4 Cb -0.14 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1ne3 s ALA 4 CO 0.77 0.37 0.18 -0.08 0.00 0.00 0.00 175.76 177.01 1ne3 s THR 5 N -1.56 5.43 -0.32 0.00 -1.32 -1.09 -4.82 115.64 111.95 1ne3 s THR 5 Ca 0.43 0.19 -0.29 0.00 -1.21 0.00 0.00 61.69 60.80 1ne3 s THR 5 Cb -0.15 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.37 1ne3 s THR 5 CO 0.20 0.53 1.36 -2.16 -2.21 0.00 0.00 174.62 172.34 1ne3 s PRO 6 N -1.29 3.82 0.09 7.08 0.04 -1.26 -3.15 135.00 140.32 1ne3 s PRO 6 Ca 0.19 1.21 0.03 0.00 0.04 0.00 0.00 61.00 62.47 1ne3 s PRO 6 Cb -0.13 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 1ne3 s PRO 6 CO 0.09 -1.25 -0.08 0.00 0.04 0.00 0.00 177.00 175.79 1ne3 s ALA 7 N 4.73 0.98 -0.10 8.56 0.00 -1.10 -3.72 121.76 131.11 1ne3 s ALA 7 Ca 0.59 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1ne3 s ALA 7 Cb -0.17 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1ne3 s ALA 7 CO 0.26 -0.11 -0.16 -1.21 0.00 0.00 0.00 175.76 174.54 1ne3 s GLU 8 N -3.01 3.08 0.16 0.00 2.02 -1.25 -0.31 118.70 119.39 1ne3 s GLU 8 Ca 0.06 -0.74 -0.34 0.00 0.02 0.00 0.00 54.97 53.97 1ne3 s GLU 8 Cb -0.01 -2.48 -0.15 0.00 0.10 0.00 0.00 34.13 31.59 1ne3 s GLU 8 CO -0.02 0.31 1.34 0.28 0.02 0.00 0.00 175.26 177.19 1ne3 n VAL 9 N 3.22 0.46 -0.03 2.63 0.31 0.58 -3.66 118.33 121.84 1ne3 n VAL 9 Ca -0.18 -0.11 -0.04 0.00 -0.01 0.00 0.00 64.34 64.00 1ne3 n VAL 9 Cb 0.53 -1.08 -0.03 0.00 -0.91 0.00 0.00 33.84 32.34 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 2.25 0.36 -4.23 2.52 -5.35 -0.57 0.95 119.36 115.29 1ne3 n ILE 10 Ca 0.16 -0.16 -0.20 0.00 -0.27 0.00 0.00 62.75 62.28 1ne3 n ILE 10 Cb 0.25 -0.76 -0.12 0.00 -1.74 0.00 0.00 39.64 37.27 1ne3 n ILE 10 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1ne3 s GLU 11 N -2.13 0.92 -0.07 6.28 2.56 -0.61 -4.73 118.70 120.92 1ne3 s GLU 11 Ca -0.07 -0.99 0.05 0.00 0.00 0.00 0.00 54.97 53.95 1ne3 s GLU 11 Cb 0.02 -0.99 -0.00 0.00 2.00 0.00 0.00 34.13 35.15 1ne3 s GLU 11 CO 0.16 0.23 -0.22 0.08 -0.56 0.00 0.00 175.26 174.95 1ne3 s VAL 12 N -1.20 1.85 -0.40 3.70 1.01 -1.26 0.24 120.40 124.34 1ne3 s VAL 12 Ca 0.01 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 1ne3 s VAL 12 Cb -0.10 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.78 1ne3 s VAL 12 CO 0.03 0.52 0.20 -0.76 0.00 0.00 0.00 175.10 175.08 1ne3 s LEU 13 N 0.10 4.99 0.10 3.92 2.01 -0.95 -4.85 118.68 124.00 1ne3 s LEU 13 Ca -0.09 -1.66 0.01 0.00 0.01 0.00 0.00 54.13 52.40 1ne3 s LEU 13 Cb -0.15 -1.89 -0.04 0.00 0.01 0.00 0.00 46.19 44.13 1ne3 s LEU 13 CO 0.05 -0.50 -0.04 -1.59 1.01 0.00 0.00 176.35 175.28 1ne3 s LYS 14 N 1.29 0.84 -0.16 1.70 -2.85 -1.26 -3.49 119.74 115.82 1ne3 s LYS 14 Ca 0.03 -1.35 0.00 0.00 -1.00 0.00 0.00 55.97 53.66 1ne3 s LYS 14 Cb -0.22 -0.12 0.03 0.00 -2.06 0.00 0.00 37.83 35.46 1ne3 s LYS 14 CO -0.01 -0.06 -0.10 0.50 0.10 0.00 0.00 175.35 175.78 1ne3 s ARG 15 N -3.87 1.88 0.39 1.78 3.52 -1.26 -5.08 118.95 116.30 1ne3 s ARG 15 Ca 0.13 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1ne3 s ARG 15 Cb 0.06 -2.05 0.00 0.00 -1.56 0.00 0.00 34.95 31.40 1ne3 s ARG 15 CO -0.04 -0.33 0.00 0.25 -0.81 0.00 0.00 175.30 174.37 1ne3 n THR 16 N 4.81 0.00 -0.09 4.11 -2.24 -1.26 -4.47 114.28 115.14 1ne3 n THR 16 Ca -0.14 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.56 1ne3 n THR 16 Cb 0.49 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.79 1ne3 n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ne3 n GLY 17 N 0.00 -3.09 3.55 3.38 0.00 -1.26 -4.68 105.19 103.09 1ne3 n GLY 17 Ca 0.00 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.37 1.05 -4.19 1.61 0.00 -1.26 -4.90 117.12 107.06 1ne3 n MET 18 Ca 0.03 0.02 -0.11 0.00 -0.00 0.00 0.00 57.70 57.64 1ne3 n MET 18 Cb 0.14 -3.37 -0.10 0.00 0.00 0.00 0.00 33.22 29.89 1ne3 n MET 18 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1ne3 s THR 19 N 11.95 0.63 0.00 1.12 -1.32 -1.26 -5.06 115.64 121.70 1ne3 s THR 19 Ca 1.00 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 59.53 1ne3 s THR 19 Cb -0.22 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 68.91 1ne3 s THR 19 CO 0.27 -0.71 0.00 0.61 -2.21 0.00 0.00 174.62 172.59 1ne3 n GLY 20 N -0.11 1.17 2.03 6.08 0.00 -1.26 -4.72 105.19 108.38 1ne3 n GLY 20 Ca -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 9.29 0.00 -5.00 1.61 2.13 -1.26 -5.11 120.64 122.29 1ne3 n GLU 21 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 1ne3 n GLU 21 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 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 -1.77 2.53 -0.05 6.31 1.01 -1.26 -4.88 120.40 122.28 1ne3 s VAL 22 Ca 0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 60.88 1ne3 s VAL 22 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1ne3 s VAL 22 CO 0.00 0.51 0.21 -0.32 0.00 0.00 0.00 175.10 175.50 1ne3 s MET 23 N -0.88 3.53 0.03 2.72 1.75 -0.97 -4.84 119.30 120.63 1ne3 s MET 23 Ca 0.12 -0.10 0.01 0.00 -1.25 0.00 0.00 55.69 54.47 1ne3 s MET 23 Cb -0.10 -3.14 -0.04 0.00 2.84 0.00 0.00 34.83 34.38 1ne3 s MET 23 CO 0.01 0.72 0.09 1.14 -0.65 0.00 0.00 175.02 176.33 1ne3 s GLN 24 N -1.40 3.05 0.14 4.11 -2.07 -1.23 0.21 119.66 122.46 1ne3 s GLN 24 Ca 0.22 -0.54 0.05 0.00 -1.82 0.00 0.00 55.36 53.27 1ne3 s GLN 24 Cb -0.13 -2.84 -0.04 0.00 -1.09 0.00 0.00 33.01 28.91 1ne3 s GLN 24 CO 0.11 0.62 -0.12 0.54 -1.32 0.00 0.00 175.29 175.12 1ne3 s VAL 25 N -1.28 1.26 -0.11 3.63 0.11 -0.51 -2.23 120.40 121.27 1ne3 s VAL 25 Ca 0.26 -1.95 -0.01 0.00 -2.93 0.00 0.00 61.98 57.35 1ne3 s VAL 25 Cb -0.12 -1.74 -0.03 0.00 -1.53 0.00 0.00 36.38 32.97 1ne3 s VAL 25 CO 0.17 -0.62 -0.07 -0.75 -3.33 0.00 0.00 175.10 170.50 1ne3 s LYS 26 N -3.35 3.20 -0.02 1.54 2.20 0.65 -2.78 119.74 121.18 1ne3 s LYS 26 Ca 0.14 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1ne3 s LYS 26 Cb -0.00 -2.70 0.02 0.00 -1.51 0.00 0.00 37.83 33.63 1ne3 s LYS 26 CO 0.02 0.42 0.00 0.00 -0.36 0.00 0.00 175.35 175.43 1ne3 s ARG 28 N 0.63 3.50 0.29 0.00 3.00 -1.24 -2.48 118.95 122.65 1ne3 s ARG 28 Ca -0.06 -0.15 -0.30 0.00 -1.00 0.00 0.00 55.73 54.23 1ne3 s ARG 28 Cb -0.09 -3.20 -0.13 0.00 0.00 0.00 0.00 34.95 31.53 1ne3 s ARG 28 CO -0.01 0.73 1.36 -0.89 0.00 0.00 0.00 175.30 176.49 1ne3 n ILE 29 N 2.14 1.46 0.37 4.11 5.41 0.55 -3.87 119.36 129.52 1ne3 n ILE 29 Ca -0.20 -0.37 0.07 0.00 1.00 0.00 0.00 62.75 63.26 1ne3 n ILE 29 Cb 0.55 -1.55 -0.09 0.00 -0.71 0.00 0.00 39.64 37.83 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 1.49 0.37 -3.53 1.39 4.77 -1.24 -3.40 117.00 116.84 1ne3 n LEU 30 Ca 0.08 -0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 55.65 1ne3 n LEU 30 Cb 0.34 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 1ne3 n LEU 30 CO 0.63 0.09 0.61 -1.81 -1.33 0.00 0.00 177.39 175.58 1ne3 s ASP 31 N -2.88 -0.49 0.00 -1.43 1.11 -1.26 -4.96 116.67 106.77 1ne3 s ASP 31 Ca 0.01 0.41 0.00 0.00 0.18 0.00 0.00 52.55 53.15 1ne3 s ASP 31 Cb 0.10 0.42 0.00 0.00 1.07 0.00 0.00 42.92 44.51 1ne3 s ASP 31 CO 0.58 -0.53 0.00 0.61 1.18 0.00 0.00 175.17 177.00 1ne3 n GLY 32 N 0.54 3.29 0.28 0.21 0.00 -1.26 -4.60 105.19 103.65 1ne3 n GLY 32 Ca -0.14 -1.87 0.19 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.66 1.61 -0.00 -2.02 0.44 114.38 113.74 1ne3 h ARG 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1ne3 h ARG 33 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1ne3 h ARG 33 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 179.97 179.72 1ne3 n ASP 34 N -2.84 3.79 -0.72 0.08 8.00 -1.26 -5.01 116.55 118.59 1ne3 n ASP 34 Ca -0.02 -2.00 -0.09 0.00 0.71 0.00 0.00 54.79 53.39 1ne3 n ASP 34 Cb 0.10 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.75 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 1.59 0.00 0.00 -1.24 4.81 0.15 0.51 118.16 123.98 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 0.61 -0.23 0.00 0.00 0.02 0.00 0.00 35.03 35.43 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 0.25 1.34 3.71 3.14 0.00 -1.22 -5.01 105.19 107.40 1ne3 n GLY 36 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.59 4.19 -0.17 1.61 3.52 0.18 -4.49 118.95 123.20 1ne3 s ARG 37 Ca 0.00 2.42 -0.00 0.00 -0.13 0.00 0.00 55.73 58.02 1ne3 s ARG 37 Cb 0.00 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1ne3 s ARG 37 CO 0.00 -0.68 -0.15 0.42 -0.81 0.00 0.00 175.30 174.08 1ne3 s ILE 38 N 1.65 2.57 0.21 4.11 1.01 -1.26 0.21 121.20 129.69 1ne3 s ILE 38 Ca 0.73 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 60.69 1ne3 s ILE 38 Cb -0.44 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1ne3 s ILE 38 CO 0.32 0.51 -0.19 -0.76 0.00 0.00 0.00 174.94 174.82 1ne3 s LEU 39 N 1.09 2.51 -0.04 2.97 1.02 -1.03 -5.01 118.68 120.18 1ne3 s LEU 39 Ca -0.00 -0.95 0.03 0.00 0.02 0.00 0.00 54.13 53.24 1ne3 s LEU 39 Cb -0.14 -0.91 -0.03 0.00 0.02 0.00 0.00 46.19 45.13 1ne3 s LEU 39 CO -0.05 -0.03 -0.13 -0.89 0.02 0.00 0.00 176.35 175.27 1ne3 s THR 40 N -2.34 3.16 0.02 5.49 2.01 -1.26 -3.01 115.64 119.70 1ne3 s THR 40 Ca 0.22 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1ne3 s THR 40 Cb -0.05 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1ne3 s THR 40 CO 0.09 0.57 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.44 1ne3 s ARG 41 N -0.81 0.25 -0.25 4.92 3.00 -1.12 -5.01 118.95 119.92 1ne3 s ARG 41 Ca 0.12 -0.45 -0.17 0.00 0.00 0.00 0.00 55.73 55.23 1ne3 s ARG 41 Cb -0.11 0.05 -0.03 0.00 0.00 0.00 0.00 34.95 34.86 1ne3 s ARG 41 CO 0.01 -0.03 0.46 -0.80 0.00 0.00 0.00 175.30 174.95 1ne3 s ASN 42 N -1.06 6.39 -0.03 0.23 -0.87 -1.26 -1.43 114.94 116.91 1ne3 s ASN 42 Ca -0.11 0.46 0.01 0.00 -1.57 0.00 0.00 52.86 51.65 1ne3 s ASN 42 Cb -0.07 -2.26 0.02 0.00 -0.02 0.00 0.00 41.25 38.93 1ne3 s ASN 42 CO -0.01 -0.23 -0.02 0.54 -2.57 0.00 0.00 177.10 174.82 1ne3 s VAL 43 N 2.10 0.31 -0.02 1.60 0.11 0.55 -4.93 120.40 120.12 1ne3 s VAL 43 Ca 0.19 -0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.00 1ne3 s VAL 43 Cb -0.16 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1ne3 s VAL 43 CO 0.09 0.17 0.72 0.00 -3.33 0.00 0.00 175.10 172.75 1ne3 s MET 44 N 0.92 4.45 0.00 1.54 0.23 -1.26 -2.28 119.30 122.90 1ne3 s MET 44 Ca -0.10 0.95 0.00 0.00 -1.03 0.00 0.00 55.69 55.50 1ne3 s MET 44 Cb -0.14 -3.41 0.00 0.00 -1.53 0.00 0.00 34.83 29.76 1ne3 s MET 44 CO -0.01 0.17 0.00 0.41 -2.03 0.00 0.00 175.02 173.56 1ne3 n GLY 45 N 2.77 2.86 3.56 3.16 0.00 -1.26 -4.95 105.19 111.33 1ne3 n GLY 45 Ca -0.02 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.30 3.06 -0.12 1.61 0.04 -1.26 -4.85 135.00 131.19 1ne3 s PRO 46 Ca 0.00 -0.61 0.02 0.00 0.04 0.00 0.00 61.00 60.45 1ne3 s PRO 46 Cb 0.00 -5.11 0.01 0.00 0.04 0.00 0.00 34.50 29.45 1ne3 s PRO 46 CO 0.00 -2.75 -0.16 -1.50 0.04 0.00 0.00 177.00 172.63 1ne3 s ILE 47 N 7.50 1.60 0.25 0.56 1.10 -1.26 -5.13 121.20 125.82 1ne3 s ILE 47 Ca 0.57 -0.70 0.06 0.00 -0.51 0.00 0.00 60.65 60.07 1ne3 s ILE 47 Cb -0.04 -1.46 -0.05 0.00 0.15 0.00 0.00 42.46 41.06 1ne3 s ILE 47 CO -0.03 0.46 -0.05 0.00 -2.11 0.00 0.00 174.94 173.21 1ne3 s ARG 48 N 1.02 1.43 0.16 3.50 3.03 -1.26 -4.93 118.95 121.91 1ne3 s ARG 48 Ca -0.05 -1.71 -0.25 0.00 2.03 0.00 0.00 55.73 55.75 1ne3 s ARG 48 Cb -0.15 -0.95 -0.15 0.00 -1.03 0.00 0.00 34.95 32.67 1ne3 s ARG 48 CO -0.03 0.01 0.48 -0.85 -1.13 0.00 0.00 175.30 173.78 1ne3 n GLU 49 N -0.49 0.00 0.00 3.89 0.28 -1.26 -2.94 120.64 120.12 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 -0.89 0.00 0.00 1.43 0.00 0.00 31.44 32.61 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 1.71 2.25 3.82 -1.84 0.00 0.27 -4.91 105.19 106.50 1ne3 n GLY 50 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.74 5.82 -0.19 1.61 2.15 -1.15 -4.54 116.67 118.62 1ne3 s ASP 51 Ca 0.00 1.66 -0.15 0.00 0.43 0.00 0.00 52.55 54.49 1ne3 s ASP 51 Cb 0.00 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 1ne3 s ASP 51 CO 0.00 -1.14 0.38 -0.63 -0.17 0.00 0.00 175.17 173.61 1ne3 s ILE 52 N -2.77 5.22 0.30 4.11 1.01 -1.26 0.22 121.20 128.03 1ne3 s ILE 52 Ca 0.60 0.68 0.11 0.00 0.00 0.00 0.00 60.65 62.03 1ne3 s ILE 52 Cb -0.14 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1ne3 s ILE 52 CO 0.44 0.28 -0.15 -0.76 0.00 0.00 0.00 174.94 174.75 1ne3 s LEU 53 N 1.16 2.69 -0.17 2.97 1.02 0.58 -4.94 118.68 122.00 1ne3 s LEU 53 Ca 0.19 -1.05 -0.02 0.00 0.02 0.00 0.00 54.13 53.27 1ne3 s LEU 53 Cb -0.14 -1.13 -0.01 0.00 0.02 0.00 0.00 46.19 44.93 1ne3 s LEU 53 CO 0.07 -0.04 -0.09 -0.04 0.02 0.00 0.00 176.35 176.27 1ne3 s MET 54 N -3.56 3.41 -0.42 1.70 -1.94 -1.26 -2.70 119.30 114.53 1ne3 s MET 54 Ca 0.31 -0.65 -0.15 0.00 -1.71 0.00 0.00 55.69 53.49 1ne3 s MET 54 Cb -0.03 -2.79 0.03 0.00 2.01 0.00 0.00 34.83 34.05 1ne3 s MET 54 CO 0.16 0.07 0.31 -0.51 -0.01 0.00 0.00 175.02 175.04 1ne3 s LEU 55 N 0.76 5.17 -0.16 -0.03 2.01 -1.19 -4.89 118.68 120.36 1ne3 s LEU 55 Ca -0.04 -0.97 -0.06 0.00 0.01 0.00 0.00 54.13 53.07 1ne3 s LEU 55 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.86 1ne3 s LEU 55 CO 0.02 -0.48 0.03 -0.22 1.01 0.00 0.00 176.35 176.71 1ne3 s LEU 56 N 1.67 3.64 -0.01 1.79 1.98 -1.26 -2.68 118.68 123.81 1ne3 s LEU 56 Ca 0.05 0.04 -0.33 0.00 -2.89 0.00 0.00 54.13 50.99 1ne3 s LEU 56 Cb -0.20 -1.90 -0.12 0.00 0.66 0.00 0.00 46.19 44.64 1ne3 s LEU 56 CO 0.09 0.20 1.84 -0.67 -1.89 0.00 0.00 176.35 175.92 1ne3 n ASP 57 N 3.34 3.54 -4.75 3.68 2.03 -1.26 -4.93 116.55 118.20 1ne3 n ASP 57 Ca -0.17 0.98 -0.39 0.00 0.52 0.00 0.00 54.79 55.73 1ne3 n ASP 57 Cb 0.52 -1.42 -0.05 0.00 -0.72 0.00 0.00 41.12 39.45 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 3.45 4.77 -0.12 5.18 -1.32 -1.26 -5.06 115.64 121.29 1ne3 s THR 58 Ca 0.89 1.50 -0.04 0.00 -1.21 0.00 0.00 61.69 62.82 1ne3 s THR 58 Cb -0.64 -4.05 -0.04 0.00 -1.51 0.00 0.00 72.50 66.27 1ne3 s THR 58 CO 0.47 0.39 0.04 -0.63 -2.21 0.00 0.00 174.62 172.68 1ne3 s ILE 59 N -0.18 4.62 0.14 5.08 1.09 -1.26 -5.07 121.20 125.61 1ne3 s ILE 59 Ca 0.36 -0.12 -0.30 0.00 -1.10 0.00 0.00 60.65 59.48 1ne3 s ILE 59 Cb -0.20 -2.99 -0.08 0.00 -1.06 0.00 0.00 42.46 38.13 1ne3 s ILE 59 CO 0.21 0.57 1.27 -0.60 -0.10 0.00 0.00 174.94 176.29 1ne3 s ARG 60 N -0.53 4.41 0.36 2.79 3.00 -1.26 -4.99 118.95 122.72 1ne3 s ARG 60 Ca 0.10 1.94 -0.26 0.00 -1.00 0.00 0.00 55.73 56.51 1ne3 s ARG 60 Cb -0.12 -3.26 -0.09 0.00 0.00 0.00 0.00 34.95 31.48 1ne3 s ARG 60 CO 0.02 -0.25 1.06 -2.00 0.00 0.00 0.00 175.30 174.13 1ne3 s GLU 61 N 0.43 4.34 0.04 5.12 2.12 -1.26 -4.99 118.70 124.50 1ne3 s GLU 61 Ca 0.58 1.59 -0.30 0.00 0.36 0.00 0.00 54.97 57.20 1ne3 s GLU 61 Cb -0.34 -2.77 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 1ne3 s GLU 61 CO 0.34 -0.00 1.18 0.00 -0.54 0.00 0.00 175.26 176.23 1ne3 s ALA 62 N -1.49 3.38 -0.22 6.30 0.00 -1.26 -5.00 121.76 123.46 1ne3 s ALA 62 Ca 0.53 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 53.14 1ne3 s ALA 62 Cb -0.25 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1ne3 s ALA 62 CO 0.32 -0.45 0.36 0.21 0.00 0.00 0.00 175.76 176.19 1ne3 s LYS 63 N 1.20 4.13 -0.17 0.00 2.20 -1.26 -5.05 119.74 120.78 1ne3 s LYS 63 Ca 0.58 0.10 -0.23 0.00 -0.36 0.00 0.00 55.97 56.06 1ne3 s LYS 63 Cb -0.28 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 1ne3 s LYS 63 CO 0.28 -0.07 0.72 -1.83 -0.36 0.00 0.00 175.35 174.09 1ne3 s GLU 64 N 1.43 4.27 0.21 4.03 -1.05 -1.26 -5.04 118.70 121.29 1ne3 s GLU 64 Ca 0.17 0.82 -0.19 0.00 -0.15 0.00 0.00 54.97 55.61 1ne3 s GLU 64 Cb -0.15 -3.56 -0.08 0.00 -0.44 0.00 0.00 34.13 29.90 1ne3 s GLU 64 CO 0.08 -0.25 0.70 0.96 0.95 0.00 0.00 175.26 177.70 1ne3 s ILE 65 N 1.90 4.61 0.28 1.83 -4.36 -1.26 -5.03 121.20 119.16 1ne3 s ILE 65 Ca 0.34 1.22 -0.29 0.00 -0.26 0.00 0.00 60.65 61.65 1ne3 s ILE 65 Cb -0.16 -3.84 -0.10 0.00 1.25 0.00 0.00 42.46 39.61 1ne3 s ILE 65 CO 0.12 0.21 1.18 -0.60 0.24 0.00 0.00 174.94 176.08 1ne3 s ARG 66 N -1.99 4.53 0.03 0.37 3.52 -1.26 -5.03 118.95 119.12 1ne3 s ARG 66 Ca 0.42 1.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.97 1ne3 s ARG 66 Cb -0.16 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1ne3 s ARG 66 CO 0.21 0.05 0.11 0.95 -0.81 0.00 0.00 175.30 175.81 1ne3 s THR 67 N -0.97 4.85 -2.00 4.11 -4.23 -1.26 -5.35 115.64 110.80 1ne3 s THR 67 Ca 0.47 -0.49 0.24 0.00 -1.18 0.00 0.00 61.69 60.73 1ne3 s THR 67 Cb -0.34 -3.28 0.68 0.00 1.34 0.00 0.00 72.50 70.89 1ne3 s THR 67 CO 0.44 0.25 1.79 -0.81 -0.54 0.00 0.00 174.62 175.75