#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 0.21 -3.79 6.12 3.32 -1.98 -3.34 116.42 116.96 1ne3 h ASP 2 Ca 0.00 -0.13 -0.44 0.00 0.02 0.00 0.00 57.03 56.48 1ne3 h ASP 2 Cb 0.00 -0.06 0.17 0.00 0.22 0.00 0.00 39.33 39.66 1ne3 h ASP 2 CO 0.00 0.80 0.19 -0.62 -1.72 0.00 0.00 179.24 177.89 1ne3 s ASP 3 N -6.89 2.11 0.18 6.45 -1.08 -1.26 -3.94 116.67 112.24 1ne3 s ASP 3 Ca -0.03 0.92 -0.21 0.00 -0.52 0.00 0.00 52.55 52.71 1ne3 s ASP 3 Cb 0.12 -1.40 -0.08 0.00 -1.46 0.00 0.00 42.92 40.10 1ne3 s ASP 3 CO 0.80 -3.42 0.70 0.00 0.52 0.00 0.00 175.17 173.77 1ne3 s ALA 4 N -3.06 3.46 0.01 3.66 0.00 -1.26 -4.08 121.76 120.50 1ne3 s ALA 4 Ca 0.67 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 1ne3 s ALA 4 Cb -0.15 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1ne3 s ALA 4 CO 0.56 0.34 0.17 0.99 0.00 0.00 0.00 175.76 177.82 1ne3 s THR 5 N -1.36 5.32 -0.42 0.00 2.01 0.64 -4.63 115.64 117.20 1ne3 s THR 5 Ca 0.39 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 1ne3 s THR 5 Cb -0.19 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 68.83 1ne3 s THR 5 CO 0.22 0.29 1.42 -2.16 -0.69 0.00 0.00 174.62 173.69 1ne3 s PRO 6 N -2.03 3.55 0.13 4.92 0.04 -1.26 0.12 135.00 140.47 1ne3 s PRO 6 Ca 0.28 0.92 0.05 0.00 0.04 0.00 0.00 61.00 62.29 1ne3 s PRO 6 Cb -0.13 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1ne3 s PRO 6 CO 0.20 -1.59 -0.12 0.00 0.04 0.00 0.00 177.00 175.53 1ne3 s ALA 7 N 5.50 1.43 -0.11 8.56 0.00 0.85 -3.93 121.76 134.05 1ne3 s ALA 7 Ca 0.61 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1ne3 s ALA 7 Cb -0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1ne3 s ALA 7 CO 0.32 -0.00 -0.12 -1.21 0.00 0.00 0.00 175.76 174.76 1ne3 s GLU 8 N -3.14 3.18 0.17 0.00 2.02 -1.25 0.19 118.70 119.86 1ne3 s GLU 8 Ca 0.12 -0.66 -0.33 0.00 0.02 0.00 0.00 54.97 54.12 1ne3 s GLU 8 Cb -0.02 -2.61 -0.15 0.00 0.10 0.00 0.00 34.13 31.45 1ne3 s GLU 8 CO 0.02 0.34 1.22 0.28 0.02 0.00 0.00 175.26 177.14 1ne3 n VAL 9 N 3.15 0.78 -0.02 2.63 0.31 0.64 -3.68 118.33 122.13 1ne3 n VAL 9 Ca -0.18 -0.19 -0.03 0.00 -0.01 0.00 0.00 64.34 63.93 1ne3 n VAL 9 Cb 0.53 -0.93 -0.02 0.00 -0.91 0.00 0.00 33.84 32.50 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 1.71 0.25 -4.18 2.52 -6.64 0.18 0.10 119.36 113.29 1ne3 n ILE 10 Ca 0.15 -0.10 -0.19 0.00 -1.77 0.00 0.00 62.75 60.85 1ne3 n ILE 10 Cb 0.25 -0.66 -0.12 0.00 -1.44 0.00 0.00 39.64 37.67 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 -2.09 0.85 -0.02 6.28 2.12 -0.03 -4.76 118.70 121.05 1ne3 s GLU 11 Ca -0.06 -0.98 0.08 0.00 0.36 0.00 0.00 54.97 54.37 1ne3 s GLU 11 Cb 0.02 -0.87 -0.02 0.00 0.26 0.00 0.00 34.13 33.52 1ne3 s GLU 11 CO 0.10 0.19 -0.26 0.08 -0.54 0.00 0.00 175.26 174.84 1ne3 s VAL 12 N -1.31 2.09 -0.38 3.70 1.01 -1.26 0.27 120.40 124.52 1ne3 s VAL 12 Ca -0.01 -1.11 -0.10 0.00 0.00 0.00 0.00 61.98 60.76 1ne3 s VAL 12 Cb -0.10 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.60 1ne3 s VAL 12 CO 0.02 0.57 0.21 -0.76 0.00 0.00 0.00 175.10 175.14 1ne3 s LEU 13 N -0.64 4.79 0.11 3.92 2.01 -1.21 -4.85 118.68 122.81 1ne3 s LEU 13 Ca 0.10 -1.16 0.04 0.00 0.01 0.00 0.00 54.13 53.12 1ne3 s LEU 13 Cb -0.10 -1.99 -0.04 0.00 0.01 0.00 0.00 46.19 44.07 1ne3 s LEU 13 CO -0.01 -0.42 -0.11 -0.54 1.01 0.00 0.00 176.35 176.28 1ne3 s LYS 14 N 1.50 0.91 -0.27 1.70 1.02 -1.26 -4.37 119.74 118.96 1ne3 s LYS 14 Ca 0.02 -1.21 0.01 0.00 0.02 0.00 0.00 55.97 54.80 1ne3 s LYS 14 Cb -0.20 -0.62 0.08 0.00 -0.52 0.00 0.00 37.83 36.56 1ne3 s LYS 14 CO 0.05 0.10 -0.01 0.50 -0.92 0.00 0.00 175.35 175.07 1ne3 s ARG 15 N -2.90 1.48 0.00 1.68 3.52 -1.26 -4.95 118.95 116.52 1ne3 s ARG 15 Ca 0.08 -1.22 0.00 0.00 -0.13 0.00 0.00 55.73 54.46 1ne3 s ARG 15 Cb -0.03 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1ne3 s ARG 15 CO 0.01 -0.73 0.00 2.41 -0.81 0.00 0.00 175.30 176.17 1ne3 n THR 16 N 4.59 0.00 0.00 4.11 -1.04 -1.26 -3.86 114.28 116.82 1ne3 n THR 16 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1ne3 n THR 16 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 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 0.25 3.51 3.41 0.00 -1.26 -5.15 105.19 105.95 1ne3 n GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ne3 n GLY 17 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ne3 s MET 18 N 0.00 0.31 -0.25 1.61 0.23 -1.25 -5.00 119.30 114.95 1ne3 s MET 18 Ca 0.00 0.65 -0.20 0.00 -1.03 0.00 0.00 55.69 55.10 1ne3 s MET 18 Cb 0.00 0.25 0.07 0.00 -1.53 0.00 0.00 34.83 33.62 1ne3 s MET 18 CO 0.00 -0.08 0.64 0.99 -2.03 0.00 0.00 175.02 174.54 1ne3 s THR 19 N 1.90 -0.00 0.00 3.16 2.01 -1.26 -5.10 115.64 116.35 1ne3 s THR 19 Ca -0.05 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1ne3 s THR 19 Cb -0.05 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1ne3 s THR 19 CO -0.16 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 1ne3 n GLY 20 N 3.19 0.64 0.89 4.40 0.00 -1.26 -4.91 105.19 108.15 1ne3 n GLY 20 Ca -0.16 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1ne3 n GLY 20 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ne3 n GLU 21 N 0.00 0.00 -4.93 1.61 0.28 -1.26 -5.12 120.64 111.22 1ne3 n GLU 21 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 1ne3 n GLU 21 Cb 0.00 -0.04 -0.14 0.00 1.43 0.00 0.00 31.44 32.69 1ne3 n GLU 21 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1ne3 s VAL 22 N -1.44 2.42 -0.02 3.84 1.01 -1.26 -4.77 120.40 120.17 1ne3 s VAL 22 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1ne3 s VAL 22 Cb 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1ne3 s VAL 22 CO 0.00 0.44 0.02 -0.32 0.00 0.00 0.00 175.10 175.24 1ne3 s MET 23 N -1.09 2.89 0.13 2.72 1.75 -0.66 -4.83 119.30 120.21 1ne3 s MET 23 Ca 0.12 -0.54 0.04 0.00 -1.25 0.00 0.00 55.69 54.07 1ne3 s MET 23 Cb -0.10 -2.74 -0.04 0.00 2.84 0.00 0.00 34.83 34.79 1ne3 s MET 23 CO 0.02 0.65 0.09 1.14 -0.65 0.00 0.00 175.02 176.27 1ne3 s GLN 24 N -1.46 2.82 0.04 4.11 -2.07 -1.26 0.23 119.66 122.07 1ne3 s GLN 24 Ca 0.19 -0.82 -0.02 0.00 -1.82 0.00 0.00 55.36 52.90 1ne3 s GLN 24 Cb -0.12 -2.64 -0.03 0.00 -1.09 0.00 0.00 33.01 29.13 1ne3 s GLN 24 CO 0.09 0.52 -0.01 0.54 -1.32 0.00 0.00 175.29 175.11 1ne3 s VAL 25 N -1.57 0.19 -0.16 3.63 0.11 -0.88 -3.32 120.40 118.39 1ne3 s VAL 25 Ca 0.30 -1.54 -0.04 0.00 -2.93 0.00 0.00 61.98 57.77 1ne3 s VAL 25 Cb -0.11 -1.21 -0.03 0.00 -1.53 0.00 0.00 36.38 33.51 1ne3 s VAL 25 CO 0.22 -0.85 -0.04 -0.75 -3.33 0.00 0.00 175.10 170.35 1ne3 s LYS 26 N -3.31 3.64 -0.03 1.54 2.20 0.76 -3.10 119.74 121.43 1ne3 s LYS 26 Ca 0.01 -0.53 0.01 0.00 -0.36 0.00 0.00 55.97 55.10 1ne3 s LYS 26 Cb 0.03 -2.92 0.03 0.00 -1.51 0.00 0.00 37.83 33.46 1ne3 s LYS 26 CO -0.08 0.20 -0.01 0.00 -0.36 0.00 0.00 175.35 175.09 1ne3 s ARG 28 N 0.97 3.71 0.24 0.00 3.00 -1.24 -2.88 118.95 122.74 1ne3 s ARG 28 Ca -0.10 0.15 -0.31 0.00 -1.00 0.00 0.00 55.73 54.47 1ne3 s ARG 28 Cb -0.14 -3.21 -0.14 0.00 0.00 0.00 0.00 34.95 31.46 1ne3 s ARG 28 CO -0.01 0.72 1.35 -0.89 0.00 0.00 0.00 175.30 176.46 1ne3 n ILE 29 N 1.95 1.05 -0.03 4.11 5.41 0.64 -3.94 119.36 128.55 1ne3 n ILE 29 Ca -0.17 -0.26 0.03 0.00 1.00 0.00 0.00 62.75 63.35 1ne3 n ILE 29 Cb 0.54 -1.37 -0.15 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 2.01 0.11 -3.57 1.39 4.77 -1.25 -3.18 117.00 117.27 1ne3 n LEU 30 Ca 0.12 0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 1ne3 n LEU 30 Cb 0.31 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1ne3 n LEU 30 CO 0.62 0.17 0.66 1.51 -1.33 0.00 0.00 177.39 179.02 1ne3 s ASP 31 N -4.99 -0.49 0.00 -1.43 1.47 -1.26 -4.87 116.67 105.11 1ne3 s ASP 31 Ca -0.08 0.62 0.00 0.00 1.18 0.00 0.00 52.55 54.27 1ne3 s ASP 31 Cb 0.11 0.52 0.00 0.00 -0.34 0.00 0.00 42.92 43.21 1ne3 s ASP 31 CO 0.87 -0.38 0.00 0.61 0.68 0.00 0.00 175.17 176.95 1ne3 n GLY 32 N 1.12 1.70 0.29 2.12 0.00 -1.26 -4.66 105.19 104.50 1ne3 n GLY 32 Ca -0.13 -1.64 0.19 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.21 1.61 9.65 -2.02 0.32 114.38 123.72 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 -2.87 2.53 0.00 -3.80 8.00 -1.26 -5.03 116.55 114.12 1ne3 n ASP 34 Ca -0.02 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1ne3 n ASP 34 Cb 0.09 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 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 0.60 0.00 0.00 -1.24 4.81 0.11 -0.79 118.16 121.66 1ne3 n LYS 35 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1ne3 n LYS 35 Cb 0.37 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.42 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 1.18 3.73 3.14 0.00 -1.19 -4.96 105.19 107.09 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 -0.21 4.18 -0.10 1.61 3.52 0.03 -4.42 118.95 123.56 1ne3 s ARG 37 Ca 0.00 2.46 0.02 0.00 -0.13 0.00 0.00 55.73 58.09 1ne3 s ARG 37 Cb 0.00 -3.10 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1ne3 s ARG 37 CO 0.00 -0.61 -0.18 0.42 -0.81 0.00 0.00 175.30 174.11 1ne3 s ILE 38 N 0.66 2.59 0.05 4.11 1.09 -1.26 0.23 121.20 128.67 1ne3 s ILE 38 Ca 0.67 -0.84 -0.00 0.00 -1.10 0.00 0.00 60.65 59.38 1ne3 s ILE 38 Cb -0.46 -2.03 -0.04 0.00 -1.06 0.00 0.00 42.46 38.87 1ne3 s ILE 38 CO 0.38 0.55 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.96 1ne3 s LEU 39 N 0.18 2.43 -0.03 2.97 2.01 -1.14 -5.01 118.68 120.09 1ne3 s LEU 39 Ca -0.11 -0.88 0.06 0.00 0.01 0.00 0.00 54.13 53.21 1ne3 s LEU 39 Cb -0.16 0.10 -0.02 0.00 0.01 0.00 0.00 46.19 46.12 1ne3 s LEU 39 CO 0.06 -0.49 -0.19 -0.89 1.01 0.00 0.00 176.35 175.85 1ne3 s THR 40 N -3.24 2.63 0.02 5.49 2.01 -1.26 -3.15 115.64 118.14 1ne3 s THR 40 Ca 0.03 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1ne3 s THR 40 Cb 0.03 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 1ne3 s THR 40 CO -0.07 0.58 -0.04 0.00 -0.69 0.00 0.00 174.62 174.41 1ne3 s ARG 41 N -0.70 0.32 -0.26 4.92 1.70 -1.18 -5.01 118.95 118.74 1ne3 s ARG 41 Ca 0.11 -0.54 -0.14 0.00 -0.47 0.00 0.00 55.73 54.68 1ne3 s ARG 41 Cb -0.10 -0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.22 1ne3 s ARG 41 CO -0.00 -0.01 0.34 0.54 -1.08 0.00 0.00 175.30 175.09 1ne3 s ASN 42 N -1.23 6.25 -0.02 -2.89 2.20 -1.26 -2.07 114.94 115.92 1ne3 s ASN 42 Ca -0.12 0.28 0.00 0.00 -0.94 0.00 0.00 52.86 52.09 1ne3 s ASN 42 Cb -0.08 -2.20 0.02 0.00 -2.00 0.00 0.00 41.25 36.99 1ne3 s ASN 42 CO -0.01 -0.14 0.01 0.54 -2.94 0.00 0.00 177.10 174.57 1ne3 s VAL 43 N 1.86 0.07 -0.11 3.54 0.11 0.61 -4.90 120.40 121.58 1ne3 s VAL 43 Ca 0.14 0.10 -0.27 0.00 -2.93 0.00 0.00 61.98 59.03 1ne3 s VAL 43 Cb -0.15 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1ne3 s VAL 43 CO 0.09 0.10 0.89 -0.32 -3.33 0.00 0.00 175.10 172.53 1ne3 s MET 44 N 0.79 4.39 0.00 1.54 1.75 -1.26 -1.66 119.30 124.85 1ne3 s MET 44 Ca -0.07 1.17 0.00 0.00 -1.25 0.00 0.00 55.69 55.54 1ne3 s MET 44 Cb -0.10 -3.53 0.00 0.00 2.84 0.00 0.00 34.83 34.03 1ne3 s MET 44 CO -0.02 -0.24 0.00 0.41 -0.65 0.00 0.00 175.02 174.52 1ne3 n GLY 45 N 3.22 3.85 3.56 2.11 0.00 -1.26 -4.93 105.19 111.74 1ne3 n GLY 45 Ca 0.05 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.78 3.08 -0.12 1.61 0.04 -1.26 -4.80 135.00 130.77 1ne3 s PRO 46 Ca 0.00 -0.70 0.01 0.00 0.04 0.00 0.00 61.00 60.35 1ne3 s PRO 46 Cb 0.00 -5.20 0.02 0.00 0.04 0.00 0.00 34.50 29.36 1ne3 s PRO 46 CO 0.00 -2.77 -0.14 -1.50 0.04 0.00 0.00 177.00 172.63 1ne3 s ILE 47 N 7.47 1.43 0.24 0.56 2.07 -1.26 -5.13 121.20 126.59 1ne3 s ILE 47 Ca 0.58 -0.58 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 1ne3 s ILE 47 Cb -0.03 -1.34 -0.05 0.00 0.13 0.00 0.00 42.46 41.16 1ne3 s ILE 47 CO -0.05 0.43 -0.03 0.00 -1.91 0.00 0.00 174.94 173.38 1ne3 s ARG 48 N 1.26 1.39 0.06 3.50 3.03 -1.26 -4.89 118.95 122.04 1ne3 s ARG 48 Ca -0.01 -1.70 -0.28 0.00 2.03 0.00 0.00 55.73 55.77 1ne3 s ARG 48 Cb -0.14 -0.81 -0.15 0.00 -1.03 0.00 0.00 34.95 32.83 1ne3 s ARG 48 CO -0.06 -0.04 0.68 -0.85 -1.13 0.00 0.00 175.30 173.91 1ne3 n GLU 49 N -0.46 0.00 0.00 3.89 0.28 -1.26 -2.51 120.64 120.58 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 -1.04 0.00 0.00 1.43 0.00 0.00 31.44 32.46 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 1.36 1.57 3.78 -1.84 0.00 0.11 -4.92 105.19 105.24 1ne3 n GLY 50 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.46 6.55 -0.19 1.61 1.11 -1.04 -4.56 116.67 118.69 1ne3 s ASP 51 Ca 0.00 2.07 -0.16 0.00 0.18 0.00 0.00 52.55 54.64 1ne3 s ASP 51 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1ne3 s ASP 51 CO 0.00 -0.64 0.41 -0.63 1.18 0.00 0.00 175.17 175.50 1ne3 s ILE 52 N -1.69 5.19 0.19 0.77 1.01 -1.26 0.23 121.20 125.64 1ne3 s ILE 52 Ca 0.61 0.75 0.05 0.00 0.00 0.00 0.00 60.65 62.06 1ne3 s ILE 52 Cb -0.22 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1ne3 s ILE 52 CO 0.28 0.26 -0.09 -0.76 0.00 0.00 0.00 174.94 174.62 1ne3 s LEU 53 N 1.24 2.47 -0.24 2.97 1.43 0.50 -4.94 118.68 122.11 1ne3 s LEU 53 Ca 0.20 -1.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.11 1ne3 s LEU 53 Cb -0.15 -0.44 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 1ne3 s LEU 53 CO 0.08 -0.32 0.26 -0.04 0.23 0.00 0.00 176.35 176.55 1ne3 s MET 54 N -3.74 4.08 -0.39 1.70 -1.94 -1.25 -0.11 119.30 117.65 1ne3 s MET 54 Ca 0.21 -0.10 -0.14 0.00 -1.71 0.00 0.00 55.69 53.96 1ne3 s MET 54 Cb 0.02 -3.56 0.02 0.00 2.01 0.00 0.00 34.83 33.32 1ne3 s MET 54 CO 0.04 -0.03 0.27 -0.51 -0.01 0.00 0.00 175.02 174.78 1ne3 s LEU 55 N 1.32 4.93 -0.00 -0.03 2.01 0.32 -4.67 118.68 122.55 1ne3 s LEU 55 Ca 0.12 -0.88 0.00 0.00 0.01 0.00 0.00 54.13 53.38 1ne3 s LEU 55 Cb -0.14 -2.12 -0.04 0.00 0.01 0.00 0.00 46.19 43.90 1ne3 s LEU 55 CO 0.07 -0.41 0.05 -1.48 1.01 0.00 0.00 176.35 175.59 1ne3 s LEU 56 N 1.65 3.76 -0.08 1.79 2.34 -1.26 0.23 118.68 127.11 1ne3 s LEU 56 Ca 0.04 0.09 -0.36 0.00 0.06 0.00 0.00 54.13 53.97 1ne3 s LEU 56 Cb -0.19 -2.18 -0.13 0.00 -0.56 0.00 0.00 46.19 43.13 1ne3 s LEU 56 CO 0.09 0.27 1.77 -0.67 -1.06 0.00 0.00 176.35 176.76 1ne3 n ASP 57 N 1.26 3.06 -4.65 1.48 -0.08 -1.25 -4.90 116.55 111.46 1ne3 n ASP 57 Ca -0.14 1.02 -0.42 0.00 -1.51 0.00 0.00 54.79 53.75 1ne3 n ASP 57 Cb 0.53 -1.32 -0.04 0.00 2.34 0.00 0.00 41.12 42.63 1ne3 n ASP 57 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1ne3 s THR 58 N 3.24 4.81 -0.17 5.18 -4.23 -1.26 -5.01 115.64 118.20 1ne3 s THR 58 Ca 0.91 1.69 -0.26 0.00 -1.18 0.00 0.00 61.69 62.85 1ne3 s THR 58 Cb -0.79 -4.17 -0.01 0.00 1.34 0.00 0.00 72.50 68.88 1ne3 s THR 58 CO 0.52 -0.07 0.88 -0.63 -0.54 0.00 0.00 174.62 174.79 1ne3 s ILE 59 N 2.71 4.84 0.51 2.99 1.01 -1.26 -5.02 121.20 126.97 1ne3 s ILE 59 Ca 0.38 1.75 -0.20 0.00 0.00 0.00 0.00 60.65 62.57 1ne3 s ILE 59 Cb -0.16 -4.19 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 1ne3 s ILE 59 CO 0.09 -0.00 1.09 0.00 0.00 0.00 0.00 174.94 176.12 1ne3 s ARG 60 N 2.25 3.60 0.38 2.79 1.04 -1.26 -5.02 118.95 122.72 1ne3 s ARG 60 Ca 0.41 1.51 -0.18 0.00 -1.04 0.00 0.00 55.73 56.43 1ne3 s ARG 60 Cb -0.17 -2.09 -0.10 0.00 -2.04 0.00 0.00 34.95 30.56 1ne3 s ARG 60 CO 0.13 -0.63 0.85 -1.21 -0.04 0.00 0.00 175.30 174.40 1ne3 s GLU 61 N -3.20 4.11 0.11 3.89 8.01 -1.26 -5.02 118.70 125.34 1ne3 s GLU 61 Ca 0.69 0.90 -0.30 0.00 0.01 0.00 0.00 54.97 56.27 1ne3 s GLU 61 Cb -0.21 -2.30 -0.06 0.00 -4.31 0.00 0.00 34.13 27.25 1ne3 s GLU 61 CO 0.24 0.05 1.15 0.00 0.01 0.00 0.00 175.26 176.71 1ne3 s ALA 62 N -2.10 3.37 -0.26 5.21 0.00 -1.26 -5.01 121.76 121.71 1ne3 s ALA 62 Ca 0.58 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 1ne3 s ALA 62 Cb -0.10 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1ne3 s ALA 62 CO 0.16 -0.34 0.18 0.21 0.00 0.00 0.00 175.76 175.96 1ne3 s LYS 63 N 0.46 4.01 0.10 0.00 2.20 -1.26 -5.08 119.74 120.17 1ne3 s LYS 63 Ca 0.55 -0.29 -0.09 0.00 -0.36 0.00 0.00 55.97 55.77 1ne3 s LYS 63 Cb -0.29 -3.60 -0.06 0.00 -1.51 0.00 0.00 37.83 32.37 1ne3 s LYS 63 CO 0.32 -0.07 0.41 -1.83 -0.36 0.00 0.00 175.35 173.82 1ne3 s GLU 64 N 1.44 3.74 -0.11 4.03 1.03 -1.26 -5.07 118.70 122.49 1ne3 s GLU 64 Ca 0.07 0.14 -0.15 0.00 0.03 0.00 0.00 54.97 55.06 1ne3 s GLU 64 Cb -0.15 -2.94 -0.05 0.00 -0.80 0.00 0.00 34.13 30.19 1ne3 s GLU 64 CO 0.08 0.52 0.38 0.42 -1.33 0.00 0.00 175.26 175.33 1ne3 s ILE 65 N -1.48 5.21 0.09 1.83 1.01 -1.26 -5.07 121.20 121.53 1ne3 s ILE 65 Ca 0.36 0.74 -0.13 0.00 0.00 0.00 0.00 60.65 61.62 1ne3 s ILE 65 Cb -0.13 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 1ne3 s ILE 65 CO 0.19 0.42 0.46 -0.60 0.00 0.00 0.00 174.94 175.41 1ne3 s ARG 66 N 0.14 3.89 0.04 2.79 3.00 -1.26 -5.09 118.95 122.45 1ne3 s ARG 66 Ca 0.21 0.35 0.02 0.00 -1.00 0.00 0.00 55.73 55.32 1ne3 s ARG 66 Cb -0.14 -3.02 -0.04 0.00 0.00 0.00 0.00 34.95 31.74 1ne3 s ARG 66 CO 0.08 0.56 0.05 0.95 0.00 0.00 0.00 175.30 176.94 1ne3 s THR 67 N -1.35 4.42 -2.00 4.11 -4.23 -1.26 -5.36 115.64 109.96 1ne3 s THR 67 Ca 0.33 -0.67 0.24 0.00 -1.18 0.00 0.00 61.69 60.41 1ne3 s THR 67 Cb -0.15 -3.06 0.68 0.00 1.34 0.00 0.00 72.50 71.31 1ne3 s THR 67 CO 0.18 0.24 1.80 -0.81 -0.54 0.00 0.00 174.62 175.49