#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 0.00 0.12 7.83 5.19 -2.01 -3.33 116.42 124.22 1ne3 h ASP 2 Ca 0.00 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 1ne3 h ASP 2 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1ne3 h ASP 2 CO 0.00 0.98 -1.88 0.44 -3.12 0.00 0.00 179.24 175.66 1ne3 h ASP 3 N 0.00 0.38 -4.13 6.45 3.32 -2.05 -3.47 116.42 116.93 1ne3 h ASP 3 Ca -0.02 -0.90 -0.69 0.00 0.02 0.00 0.00 57.03 55.44 1ne3 h ASP 3 Cb 1.77 -0.13 -0.24 0.00 0.22 0.00 0.00 39.33 40.95 1ne3 h ASP 3 CO 0.13 1.81 -0.85 0.00 -1.72 0.00 0.00 179.24 178.60 1ne3 s ALA 4 N -2.54 2.41 -0.08 3.45 0.00 -1.25 -4.14 121.76 119.61 1ne3 s ALA 4 Ca -0.23 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.41 1ne3 s ALA 4 Cb 0.06 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1ne3 s ALA 4 CO 0.76 0.55 0.18 0.99 0.00 0.00 0.00 175.76 178.24 1ne3 s THR 5 N -0.88 5.44 -0.41 0.00 2.01 -1.02 -2.35 115.64 118.43 1ne3 s THR 5 Ca 0.13 0.20 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 1ne3 s THR 5 Cb -0.10 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1ne3 s THR 5 CO 0.04 0.54 1.41 -2.16 -0.69 0.00 0.00 174.62 173.76 1ne3 s PRO 6 N -1.26 3.58 0.13 4.92 0.04 -1.26 -3.18 135.00 137.97 1ne3 s PRO 6 Ca 0.19 0.94 0.05 0.00 0.04 0.00 0.00 61.00 62.22 1ne3 s PRO 6 Cb -0.13 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1ne3 s PRO 6 CO 0.08 -1.56 -0.12 0.00 0.04 0.00 0.00 177.00 175.44 1ne3 s ALA 7 N 5.43 1.44 -0.08 8.56 0.00 -1.10 -3.75 121.76 132.26 1ne3 s ALA 7 Ca 0.61 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 51.28 1ne3 s ALA 7 Cb -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1ne3 s ALA 7 CO 0.33 0.02 -0.23 -1.21 0.00 0.00 0.00 175.76 174.67 1ne3 s GLU 8 N -3.03 2.78 0.06 0.00 0.41 -1.25 -0.44 118.70 117.23 1ne3 s GLU 8 Ca 0.11 -0.86 -0.36 0.00 -0.41 0.00 0.00 54.97 53.44 1ne3 s GLU 8 Cb -0.02 -2.26 -0.16 0.00 -1.78 0.00 0.00 34.13 29.91 1ne3 s GLU 8 CO 0.02 0.32 1.48 0.28 -0.49 0.00 0.00 175.26 176.87 1ne3 n VAL 9 N 3.13 0.06 -0.07 2.63 0.31 0.61 -3.76 118.33 121.24 1ne3 n VAL 9 Ca -0.18 -0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.05 1ne3 n VAL 9 Cb 0.52 -1.12 -0.07 0.00 -0.91 0.00 0.00 33.84 32.26 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 3.12 0.80 -4.28 2.52 -5.35 -0.92 0.13 119.36 115.38 1ne3 n ILE 10 Ca 0.19 -0.33 -0.18 0.00 -0.27 0.00 0.00 62.75 62.16 1ne3 n ILE 10 Cb 0.22 -0.96 -0.13 0.00 -1.74 0.00 0.00 39.64 37.02 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 -2.28 0.82 -0.03 6.28 2.56 -0.78 -4.72 118.70 120.55 1ne3 s GLU 11 Ca -0.17 -0.72 0.06 0.00 0.00 0.00 0.00 54.97 54.13 1ne3 s GLU 11 Cb 0.05 -0.79 -0.01 0.00 2.00 0.00 0.00 34.13 35.38 1ne3 s GLU 11 CO 0.34 0.19 -0.20 0.54 -0.56 0.00 0.00 175.26 175.57 1ne3 s VAL 12 N -0.90 1.63 -0.30 3.70 0.11 -1.26 0.30 120.40 123.68 1ne3 s VAL 12 Ca -0.00 -0.86 -0.07 0.00 -2.93 0.00 0.00 61.98 58.11 1ne3 s VAL 12 Cb -0.08 -1.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.41 1ne3 s VAL 12 CO 0.01 0.46 0.09 -0.76 -3.33 0.00 0.00 175.10 171.58 1ne3 s LEU 13 N -0.29 3.94 -0.08 2.54 1.02 -0.85 -4.83 118.68 120.13 1ne3 s LEU 13 Ca 0.03 -0.72 0.02 0.00 0.02 0.00 0.00 54.13 53.48 1ne3 s LEU 13 Cb -0.10 -1.90 0.01 0.00 0.02 0.00 0.00 46.19 44.22 1ne3 s LEU 13 CO 0.01 -0.21 -0.15 -0.75 0.02 0.00 0.00 176.35 175.27 1ne3 s LYS 14 N 1.51 2.11 -0.30 1.70 2.47 -1.26 -3.91 119.74 122.06 1ne3 s LYS 14 Ca 0.03 -0.54 0.01 0.00 -1.56 0.00 0.00 55.97 53.90 1ne3 s LYS 14 Cb -0.17 -1.71 0.09 0.00 -1.46 0.00 0.00 37.83 34.58 1ne3 s LYS 14 CO 0.03 0.03 0.06 0.50 0.16 0.00 0.00 175.35 176.14 1ne3 s ARG 15 N 0.69 1.03 0.00 4.03 6.06 -1.26 -4.96 118.95 124.54 1ne3 s ARG 15 Ca -0.13 -1.23 0.00 0.00 -2.50 0.00 0.00 55.73 51.87 1ne3 s ARG 15 Cb -0.16 -2.38 0.00 0.00 0.06 0.00 0.00 34.95 32.47 1ne3 s ARG 15 CO 0.03 -0.90 0.00 2.41 -2.50 0.00 0.00 175.30 174.34 1ne3 n THR 16 N 4.69 -1.67 -1.50 4.11 -1.04 -1.26 -4.42 114.28 113.19 1ne3 n THR 16 Ca -0.02 0.34 -0.14 0.00 -2.04 0.00 0.00 64.05 62.19 1ne3 n THR 16 Cb 0.43 -2.78 -0.11 0.00 -1.82 0.00 0.00 70.33 66.04 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 1.63 -0.28 0.00 3.41 0.00 -1.26 -2.62 105.19 106.07 1ne3 n GLY 17 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 7.63 0.00 -2.62 1.61 0.00 -1.26 -5.12 117.12 117.36 1ne3 n MET 18 Ca 0.46 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.74 1ne3 n MET 18 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.58 1ne3 n MET 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1ne3 s THR 19 N 0.00 4.61 0.00 1.12 2.01 -1.08 -4.86 115.64 117.44 1ne3 s THR 19 Ca 0.00 1.88 0.00 0.00 0.31 0.00 0.00 61.69 63.88 1ne3 s THR 19 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1ne3 s THR 19 CO 0.00 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 1ne3 n GLY 20 N 3.07 1.13 0.56 4.40 0.00 -1.26 -4.96 105.19 108.13 1ne3 n GLY 20 Ca 0.08 -2.20 -0.07 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.38 0.28 -4.57 1.61 4.07 -1.26 -5.03 120.64 115.35 1ne3 n GLU 21 Ca 0.00 0.11 -0.32 0.00 -0.06 0.00 0.00 57.16 56.90 1ne3 n GLU 21 Cb 0.00 -0.99 -0.11 0.00 -0.06 0.00 0.00 31.44 30.28 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 -2.42 3.26 0.21 6.31 -7.23 -1.26 -4.91 120.40 114.35 1ne3 s VAL 22 Ca -0.16 -0.94 -0.23 0.00 -1.81 0.00 0.00 61.98 58.83 1ne3 s VAL 22 Cb 0.03 -2.39 -0.08 0.00 0.56 0.00 0.00 36.38 34.50 1ne3 s VAL 22 CO 0.23 0.38 0.78 -0.32 -0.31 0.00 0.00 175.10 175.86 1ne3 s MET 23 N -1.39 4.46 -0.13 4.82 1.75 0.79 -4.62 119.30 124.98 1ne3 s MET 23 Ca 0.16 1.08 -0.06 0.00 -1.25 0.00 0.00 55.69 55.61 1ne3 s MET 23 Cb -0.11 -3.06 -0.04 0.00 2.84 0.00 0.00 34.83 34.46 1ne3 s MET 23 CO 0.06 0.47 0.09 1.14 -0.65 0.00 0.00 175.02 176.13 1ne3 s GLN 24 N -1.57 3.54 0.19 4.11 -2.07 -1.25 -0.18 119.66 122.42 1ne3 s GLN 24 Ca 0.40 -0.24 0.06 0.00 -1.82 0.00 0.00 55.36 53.76 1ne3 s GLN 24 Cb -0.20 -3.14 -0.05 0.00 -1.09 0.00 0.00 33.01 28.54 1ne3 s GLN 24 CO 0.24 0.60 -0.12 0.54 -1.32 0.00 0.00 175.29 175.23 1ne3 s VAL 25 N -0.55 1.51 -0.08 3.63 0.11 -1.15 -2.00 120.40 121.86 1ne3 s VAL 25 Ca 0.11 -2.15 0.00 0.00 -2.93 0.00 0.00 61.98 57.01 1ne3 s VAL 25 Cb -0.12 -1.99 -0.03 0.00 -1.53 0.00 0.00 36.38 32.72 1ne3 s VAL 25 CO 0.02 -0.64 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.34 1ne3 s LYS 26 N -3.69 2.92 0.01 1.54 2.20 0.87 -3.44 119.74 120.14 1ne3 s LYS 26 Ca 0.21 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 1ne3 s LYS 26 Cb 0.01 -2.65 -0.01 0.00 -1.51 0.00 0.00 37.83 33.67 1ne3 s LYS 26 CO 0.05 0.58 -0.01 0.00 -0.36 0.00 0.00 175.35 175.61 1ne3 s ARG 28 N -0.53 2.50 0.33 0.00 3.00 -1.25 -2.45 118.95 120.56 1ne3 s ARG 28 Ca -0.05 -0.74 -0.28 0.00 -1.00 0.00 0.00 55.73 53.66 1ne3 s ARG 28 Cb -0.04 -2.33 -0.12 0.00 0.00 0.00 0.00 34.95 32.45 1ne3 s ARG 28 CO -0.00 0.58 1.27 -0.89 0.00 0.00 0.00 175.30 176.26 1ne3 n ILE 29 N 2.44 1.96 0.31 4.11 5.41 0.51 -3.87 119.36 130.23 1ne3 n ILE 29 Ca -0.17 -0.49 0.05 0.00 1.00 0.00 0.00 62.75 63.14 1ne3 n ILE 29 Cb 0.52 -1.53 -0.07 0.00 -0.71 0.00 0.00 39.64 37.85 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 0.85 0.31 -3.54 1.39 4.77 -1.25 -3.38 117.00 116.15 1ne3 n LEU 30 Ca 0.05 -0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 55.58 1ne3 n LEU 30 Cb 0.36 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.39 1ne3 n LEU 30 CO 0.62 0.08 0.56 1.51 -1.33 0.00 0.00 177.39 178.83 1ne3 s ASP 31 N -2.51 -0.55 0.00 -1.43 1.47 -1.26 -4.96 116.67 107.44 1ne3 s ASP 31 Ca 0.01 0.57 0.00 0.00 1.18 0.00 0.00 52.55 54.31 1ne3 s ASP 31 Cb 0.08 0.45 0.00 0.00 -0.34 0.00 0.00 42.92 43.11 1ne3 s ASP 31 CO 0.45 -0.52 0.00 0.61 0.68 0.00 0.00 175.17 176.39 1ne3 n GLY 32 N 0.78 3.30 0.25 2.12 0.00 -1.26 -4.61 105.19 105.78 1ne3 n GLY 32 Ca -0.16 -1.88 0.17 0.00 0.00 0.00 0.00 46.02 44.16 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 9.65 -2.04 0.39 114.38 123.32 1ne3 h ARG 33 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1ne3 h ARG 33 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1ne3 h ARG 33 CO 0.00 0.00 0.00 -0.25 2.80 0.00 0.00 179.97 182.52 1ne3 n ASP 34 N -2.70 3.80 -1.08 -3.80 8.00 -1.26 -5.01 116.55 114.49 1ne3 n ASP 34 Ca -0.01 -2.00 -0.13 0.00 0.71 0.00 0.00 54.79 53.36 1ne3 n ASP 34 Cb 0.11 -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 1.60 0.00 -0.07 -1.24 4.81 0.14 0.46 118.16 123.86 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 -0.32 0.00 0.00 0.02 0.00 0.00 35.03 35.34 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 0.41 1.47 3.70 3.14 0.00 -1.22 -5.00 105.19 107.69 1ne3 n GLY 36 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.47 4.17 -0.14 1.61 3.52 0.17 -4.52 118.95 123.29 1ne3 s ARG 37 Ca 0.00 2.47 0.02 0.00 -0.13 0.00 0.00 55.73 58.09 1ne3 s ARG 37 Cb 0.00 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 1ne3 s ARG 37 CO 0.00 -0.74 -0.21 0.42 -0.81 0.00 0.00 175.30 173.96 1ne3 s ILE 38 N 2.10 2.20 -0.02 4.11 1.09 -1.26 0.19 121.20 129.61 1ne3 s ILE 38 Ca 0.75 -0.93 0.02 0.00 -1.10 0.00 0.00 60.65 59.39 1ne3 s ILE 38 Cb -0.44 -1.89 0.00 0.00 -1.06 0.00 0.00 42.46 39.07 1ne3 s ILE 38 CO 0.33 0.54 -0.08 -0.76 -0.10 0.00 0.00 174.94 174.88 1ne3 s LEU 39 N 0.77 1.79 -0.12 2.97 1.02 -1.03 -5.02 118.68 119.07 1ne3 s LEU 39 Ca -0.08 -0.16 -0.04 0.00 0.02 0.00 0.00 54.13 53.87 1ne3 s LEU 39 Cb -0.16 -0.48 -0.04 0.00 0.02 0.00 0.00 46.19 45.54 1ne3 s LEU 39 CO -0.01 0.05 0.04 -0.89 0.02 0.00 0.00 176.35 175.56 1ne3 s THR 40 N 0.18 4.59 0.04 5.49 2.01 -1.26 -3.63 115.64 123.06 1ne3 s THR 40 Ca -0.03 -0.13 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1ne3 s THR 40 Cb -0.08 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1ne3 s THR 40 CO 0.00 0.57 0.07 -0.13 -0.69 0.00 0.00 174.62 174.45 1ne3 s ARG 41 N -0.58 0.58 -0.08 4.92 3.00 -1.22 -5.04 118.95 120.52 1ne3 s ARG 41 Ca 0.10 -0.81 -0.21 0.00 0.00 0.00 0.00 55.73 54.81 1ne3 s ARG 41 Cb -0.12 0.22 -0.04 0.00 0.00 0.00 0.00 34.95 35.01 1ne3 s ARG 41 CO 0.02 -0.14 0.61 -0.80 0.00 0.00 0.00 175.30 174.99 1ne3 s ASN 42 N -2.21 6.87 -0.02 0.23 0.01 -1.26 -2.93 114.94 115.63 1ne3 s ASN 42 Ca -0.04 1.05 -0.03 0.00 -0.71 0.00 0.00 52.86 53.12 1ne3 s ASN 42 Cb -0.00 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.30 1ne3 s ASN 42 CO -0.05 -0.06 0.08 0.54 -1.51 0.00 0.00 177.10 176.10 1ne3 s VAL 43 N 0.67 0.03 -0.20 1.60 0.11 0.74 -4.97 120.40 118.39 1ne3 s VAL 43 Ca 0.33 -0.29 -0.17 0.00 -2.93 0.00 0.00 61.98 58.92 1ne3 s VAL 43 Cb -0.17 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1ne3 s VAL 43 CO 0.15 -0.16 0.44 -0.32 -3.33 0.00 0.00 175.10 171.89 1ne3 s MET 44 N -0.48 4.19 0.00 1.54 1.75 -1.26 -0.15 119.30 124.88 1ne3 s MET 44 Ca -0.06 0.29 0.00 0.00 -1.25 0.00 0.00 55.69 54.67 1ne3 s MET 44 Cb -0.04 -3.54 0.00 0.00 2.84 0.00 0.00 34.83 34.09 1ne3 s MET 44 CO 0.00 -0.07 0.00 0.41 -0.65 0.00 0.00 175.02 174.72 1ne3 n GLY 45 N 3.88 3.97 3.56 2.11 0.00 -1.26 -4.95 105.19 112.50 1ne3 n GLY 45 Ca -0.07 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.33 3.09 -0.12 1.61 0.04 -1.26 -4.73 135.00 130.30 1ne3 s PRO 46 Ca 0.00 -0.78 0.01 0.00 0.04 0.00 0.00 61.00 60.27 1ne3 s PRO 46 Cb 0.00 -5.23 0.02 0.00 0.04 0.00 0.00 34.50 29.33 1ne3 s PRO 46 CO 0.00 -2.81 -0.14 -1.50 0.04 0.00 0.00 177.00 172.59 1ne3 s ILE 47 N 7.49 1.45 0.25 0.56 2.07 -1.26 -5.13 121.20 126.63 1ne3 s ILE 47 Ca 0.58 -0.59 0.05 0.00 -1.41 0.00 0.00 60.65 59.28 1ne3 s ILE 47 Cb -0.03 -1.35 -0.05 0.00 0.13 0.00 0.00 42.46 41.16 1ne3 s ILE 47 CO -0.04 0.43 -0.03 0.00 -1.91 0.00 0.00 174.94 173.39 1ne3 s ARG 48 N 1.24 1.41 0.03 3.50 3.03 -1.26 -4.83 118.95 122.07 1ne3 s ARG 48 Ca -0.01 -1.71 -0.27 0.00 2.03 0.00 0.00 55.73 55.76 1ne3 s ARG 48 Cb -0.14 -0.82 -0.14 0.00 -1.03 0.00 0.00 34.95 32.82 1ne3 s ARG 48 CO -0.05 -0.04 0.69 -0.85 -1.13 0.00 0.00 175.30 173.92 1ne3 n GLU 49 N -0.47 0.00 0.00 3.89 0.28 -1.26 -2.44 120.64 120.63 1ne3 n GLU 49 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1ne3 n GLU 49 Cb 0.64 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 32.49 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 1.18 2.25 3.86 -1.84 0.00 0.35 -4.92 105.19 106.08 1ne3 n GLY 50 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.86 4.23 0.01 1.61 -1.08 -1.02 -4.58 116.67 113.98 1ne3 s ASP 51 Ca 0.00 0.86 -0.01 0.00 -0.52 0.00 0.00 52.55 52.88 1ne3 s ASP 51 Cb 0.00 -1.39 -0.04 0.00 -1.46 0.00 0.00 42.92 40.04 1ne3 s ASP 51 CO 0.00 -2.08 0.11 -0.63 0.52 0.00 0.00 175.17 173.09 1ne3 s ILE 52 N -3.48 4.92 0.10 4.11 1.09 -1.26 0.22 121.20 126.91 1ne3 s ILE 52 Ca 0.62 -0.39 -0.01 0.00 -1.10 0.00 0.00 60.65 59.78 1ne3 s ILE 52 Cb -0.12 -3.29 -0.04 0.00 -1.06 0.00 0.00 42.46 37.95 1ne3 s ILE 52 CO 0.50 0.30 0.01 -0.76 -0.10 0.00 0.00 174.94 174.90 1ne3 s LEU 53 N -1.91 2.11 -0.17 2.97 2.01 0.42 -4.86 118.68 119.24 1ne3 s LEU 53 Ca 0.25 -1.12 -0.00 0.00 0.01 0.00 0.00 54.13 53.27 1ne3 s LEU 53 Cb -0.12 0.21 0.00 0.00 0.01 0.00 0.00 46.19 46.29 1ne3 s LEU 53 CO 0.17 -0.65 -0.14 -0.04 1.01 0.00 0.00 176.35 176.69 1ne3 s MET 54 N -3.98 3.20 -0.40 1.70 -1.94 -1.26 -2.72 119.30 113.91 1ne3 s MET 54 Ca 0.17 -0.74 -0.14 0.00 -1.71 0.00 0.00 55.69 53.27 1ne3 s MET 54 Cb 0.07 -2.69 0.02 0.00 2.01 0.00 0.00 34.83 34.25 1ne3 s MET 54 CO -0.03 -0.07 0.28 -0.51 -0.01 0.00 0.00 175.02 174.69 1ne3 s LEU 55 N 1.03 5.00 -0.11 -0.03 2.01 -1.19 -4.86 118.68 120.53 1ne3 s LEU 55 Ca -0.01 -0.86 -0.04 0.00 0.01 0.00 0.00 54.13 53.23 1ne3 s LEU 55 Cb -0.15 -2.14 -0.04 0.00 0.01 0.00 0.00 46.19 43.88 1ne3 s LEU 55 CO -0.03 -0.42 0.06 -0.22 1.01 0.00 0.00 176.35 176.74 1ne3 s LEU 56 N 1.67 3.88 0.02 1.79 1.98 -1.26 -2.43 118.68 124.33 1ne3 s LEU 56 Ca 0.05 0.25 -0.33 0.00 -2.89 0.00 0.00 54.13 51.21 1ne3 s LEU 56 Cb -0.19 -1.92 -0.11 0.00 0.66 0.00 0.00 46.19 44.63 1ne3 s LEU 56 CO 0.10 0.37 1.85 -0.90 -1.89 0.00 0.00 176.35 175.88 1ne3 n ASP 57 N 2.21 3.69 -4.64 3.68 5.75 -1.26 -4.93 116.55 121.05 1ne3 n ASP 57 Ca -0.19 0.98 -0.39 0.00 -0.01 0.00 0.00 54.79 55.18 1ne3 n ASP 57 Cb 0.54 -1.45 -0.08 0.00 -1.03 0.00 0.00 41.12 39.10 1ne3 n ASP 57 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1ne3 s THR 58 N 3.41 5.17 0.13 2.12 -1.32 -1.26 -5.06 115.64 118.84 1ne3 s THR 58 Ca 0.88 0.69 -0.25 0.00 -1.21 0.00 0.00 61.69 61.79 1ne3 s THR 58 Cb -0.59 -3.73 -0.07 0.00 -1.51 0.00 0.00 72.50 66.60 1ne3 s THR 58 CO 0.44 0.20 0.78 -0.51 -2.21 0.00 0.00 174.62 173.32 1ne3 s ILE 59 N 1.68 4.47 0.36 5.08 1.10 -1.26 -5.05 121.20 127.58 1ne3 s ILE 59 Ca 0.18 1.69 -0.18 0.00 -0.51 0.00 0.00 60.65 61.83 1ne3 s ILE 59 Cb -0.15 -4.14 -0.10 0.00 0.15 0.00 0.00 42.46 38.23 1ne3 s ILE 59 CO 0.09 0.48 0.83 -0.13 -2.11 0.00 0.00 174.94 174.09 1ne3 s ARG 60 N -0.83 4.13 -0.01 3.50 3.00 -1.26 -5.07 118.95 122.42 1ne3 s ARG 60 Ca 0.37 0.89 -0.00 0.00 0.00 0.00 0.00 55.73 56.98 1ne3 s ARG 60 Cb -0.22 -2.38 -0.04 0.00 0.00 0.00 0.00 34.95 32.31 1ne3 s ARG 60 CO 0.25 0.10 0.06 -1.83 0.00 0.00 0.00 175.30 173.88 1ne3 s GLU 61 N -2.96 2.99 0.43 3.54 -1.05 -1.26 -5.08 118.70 115.31 1ne3 s GLU 61 Ca 0.56 -0.51 -0.25 0.00 -0.15 0.00 0.00 54.97 54.62 1ne3 s GLU 61 Cb -0.10 -2.81 -0.08 0.00 -0.44 0.00 0.00 34.13 30.70 1ne3 s GLU 61 CO 0.16 0.65 1.27 0.00 0.95 0.00 0.00 175.26 178.29 1ne3 s ALA 62 N -1.15 3.14 -0.08 -0.84 0.00 -1.26 -4.96 121.76 116.61 1ne3 s ALA 62 Ca 0.21 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 1ne3 s ALA 62 Cb -0.12 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1ne3 s ALA 62 CO 0.12 -0.83 0.95 0.21 0.00 0.00 0.00 175.76 176.21 1ne3 s LYS 63 N -2.41 4.44 -0.17 0.00 2.20 -1.26 -5.03 119.74 117.51 1ne3 s LYS 63 Ca 0.60 1.30 -0.10 0.00 -0.36 0.00 0.00 55.97 57.41 1ne3 s LYS 63 Cb -0.36 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.40 1ne3 s LYS 63 CO 0.45 -0.21 0.15 -2.00 -0.36 0.00 0.00 175.35 173.38 1ne3 s GLU 64 N 1.67 4.00 -0.01 4.03 2.12 -1.26 -5.08 118.70 124.16 1ne3 s GLU 64 Ca 0.47 -0.16 -0.20 0.00 0.36 0.00 0.00 54.97 55.44 1ne3 s GLU 64 Cb -0.19 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 1ne3 s GLU 64 CO 0.20 0.43 0.57 0.96 -0.54 0.00 0.00 175.26 176.87 1ne3 s ILE 65 N -0.02 4.94 0.20 -3.70 -4.36 -1.26 -5.04 121.20 111.96 1ne3 s ILE 65 Ca 0.11 1.18 -0.30 0.00 -0.26 0.00 0.00 60.65 61.38 1ne3 s ILE 65 Cb -0.12 -3.90 -0.08 0.00 1.25 0.00 0.00 42.46 39.61 1ne3 s ILE 65 CO 0.00 0.43 1.23 -0.13 0.24 0.00 0.00 174.94 176.71 1ne3 s ARG 66 N -0.23 4.46 0.12 0.37 0.52 -1.26 -5.02 118.95 117.91 1ne3 s ARG 66 Ca 0.30 1.94 -0.07 0.00 -0.52 0.00 0.00 55.73 57.37 1ne3 s ARG 66 Cb -0.18 -3.22 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 1ne3 s ARG 66 CO 0.16 -0.13 0.40 0.95 0.02 0.00 0.00 175.30 176.70 1ne3 s THR 67 N -0.08 5.12 -2.00 0.02 -4.23 -1.26 -5.36 115.64 107.85 1ne3 s THR 67 Ca 0.54 0.26 0.24 0.00 -1.18 0.00 0.00 61.69 61.54 1ne3 s THR 67 Cb -0.34 -3.63 0.68 0.00 1.34 0.00 0.00 72.50 70.55 1ne3 s THR 67 CO 0.38 0.15 1.80 -0.81 -0.54 0.00 0.00 174.62 175.60