#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 1.17 0.00 6.12 8.00 -1.26 -4.92 116.55 125.66 1ne3 n ASP 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ne3 n ASP 2 Cb 0.00 1.75 0.00 0.00 -0.02 0.00 0.00 41.12 42.85 1ne3 n ASP 2 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ne3 n ASP 3 N -2.09 0.00 -4.83 -2.24 8.00 -1.26 -5.08 116.55 109.05 1ne3 n ASP 3 Ca -0.04 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.12 1ne3 n ASP 3 Cb 0.45 0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.67 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 -1.61 3.33 -0.11 2.24 0.00 -1.26 -3.56 121.76 120.79 1ne3 s ALA 4 Ca 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 51.96 52.00 1ne3 s ALA 4 Cb 0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 1ne3 s ALA 4 CO 0.00 0.31 0.21 -0.08 0.00 0.00 0.00 175.76 176.20 1ne3 s THR 5 N -1.79 5.38 -0.54 0.00 -1.32 0.70 -4.48 115.64 113.59 1ne3 s THR 5 Ca 0.50 0.37 -0.28 0.00 -1.21 0.00 0.00 61.69 61.07 1ne3 s THR 5 Cb -0.13 -3.50 0.01 0.00 -1.51 0.00 0.00 72.50 67.37 1ne3 s THR 5 CO 0.19 0.56 1.48 -2.16 -2.21 0.00 0.00 174.62 172.48 1ne3 s PRO 6 N -0.69 3.26 0.16 7.08 0.04 -1.26 -2.33 135.00 141.25 1ne3 s PRO 6 Ca 0.16 0.58 0.06 0.00 0.04 0.00 0.00 61.00 61.84 1ne3 s PRO 6 Cb -0.13 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 1ne3 s PRO 6 CO 0.05 -1.98 -0.13 0.00 0.04 0.00 0.00 177.00 174.99 1ne3 s ALA 7 N 6.34 1.66 -0.09 8.56 0.00 -1.14 -4.10 121.76 132.98 1ne3 s ALA 7 Ca 0.56 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1ne3 s ALA 7 Cb -0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1ne3 s ALA 7 CO 0.26 0.02 -0.16 -1.21 0.00 0.00 0.00 175.76 174.67 1ne3 s GLU 8 N -3.37 2.98 0.13 0.00 2.02 -1.26 -0.65 118.70 118.55 1ne3 s GLU 8 Ca 0.16 -0.74 -0.35 0.00 0.02 0.00 0.00 54.97 54.06 1ne3 s GLU 8 Cb -0.01 -2.46 -0.15 0.00 0.10 0.00 0.00 34.13 31.61 1ne3 s GLU 8 CO 0.03 0.35 1.48 0.28 0.02 0.00 0.00 175.26 177.43 1ne3 n VAL 9 N 3.10 0.00 -0.07 2.63 0.31 0.50 -3.93 118.33 120.87 1ne3 n VAL 9 Ca -0.18 -0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.05 1ne3 n VAL 9 Cb 0.52 -1.25 -0.07 0.00 -0.91 0.00 0.00 33.84 32.14 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 3.07 0.86 -4.32 2.52 -5.35 -0.83 0.23 119.36 115.53 1ne3 n ILE 10 Ca 0.18 -0.32 -0.18 0.00 -0.27 0.00 0.00 62.75 62.15 1ne3 n ILE 10 Cb 0.25 -1.05 -0.15 0.00 -1.74 0.00 0.00 39.64 36.95 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 -2.30 0.71 -0.07 6.28 2.56 -0.60 -4.71 118.70 120.57 1ne3 s GLU 11 Ca -0.20 -0.28 0.04 0.00 0.00 0.00 0.00 54.97 54.53 1ne3 s GLU 11 Cb 0.05 -0.69 -0.00 0.00 2.00 0.00 0.00 34.13 35.49 1ne3 s GLU 11 CO 0.34 0.15 -0.21 0.54 -0.56 0.00 0.00 175.26 175.53 1ne3 s VAL 12 N -0.07 1.77 -0.39 3.70 0.11 -1.26 0.42 120.40 124.68 1ne3 s VAL 12 Ca 0.01 -0.88 -0.10 0.00 -2.93 0.00 0.00 61.98 58.09 1ne3 s VAL 12 Cb -0.05 -1.53 0.05 0.00 -1.53 0.00 0.00 36.38 33.32 1ne3 s VAL 12 CO -0.00 0.50 0.21 -0.76 -3.33 0.00 0.00 175.10 171.72 1ne3 s LEU 13 N 0.23 4.82 -0.00 2.54 2.01 -0.85 -4.86 118.68 122.57 1ne3 s LEU 13 Ca -0.12 -1.21 0.02 0.00 0.01 0.00 0.00 54.13 52.83 1ne3 s LEU 13 Cb -0.15 -1.98 -0.01 0.00 0.01 0.00 0.00 46.19 44.06 1ne3 s LEU 13 CO 0.06 -0.43 -0.07 -1.59 1.01 0.00 0.00 176.35 175.32 1ne3 s LYS 14 N 1.48 0.56 -0.04 1.70 -2.85 -1.26 -2.95 119.74 116.38 1ne3 s LYS 14 Ca 0.02 -0.29 -0.02 0.00 -1.00 0.00 0.00 55.97 54.68 1ne3 s LYS 14 Cb -0.21 -0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 34.99 1ne3 s LYS 14 CO 0.04 0.14 0.10 1.03 0.10 0.00 0.00 175.35 176.77 1ne3 s ARG 15 N -0.27 3.19 0.15 1.78 0.52 -1.26 -5.01 118.95 118.04 1ne3 s ARG 15 Ca 0.02 -0.38 -0.28 0.00 -0.52 0.00 0.00 55.73 54.57 1ne3 s ARG 15 Cb -0.03 -2.95 -0.06 0.00 0.52 0.00 0.00 34.95 32.42 1ne3 s ARG 15 CO -0.00 0.69 1.42 2.41 0.02 0.00 0.00 175.30 179.84 1ne3 n THR 16 N 1.43 -0.62 0.00 0.02 -1.04 -1.26 -4.91 114.28 107.90 1ne3 n THR 16 Ca -0.15 2.23 0.00 0.00 -2.04 0.00 0.00 64.05 64.10 1ne3 n THR 16 Cb 0.53 -2.76 0.00 0.00 -1.82 0.00 0.00 70.33 66.28 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 -1.23 -0.62 2.81 3.41 0.00 -1.26 -5.11 105.19 103.19 1ne3 n GLY 17 Ca 0.02 0.28 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.98 -2.67 1.61 0.00 -1.26 -4.66 117.12 107.16 1ne3 n MET 18 Ca 0.00 2.46 -0.05 0.00 -0.00 0.00 0.00 57.70 60.12 1ne3 n MET 18 Cb 0.00 -4.90 -0.04 0.00 0.00 0.00 0.00 33.22 28.28 1ne3 n MET 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1ne3 n THR 19 N 0.61-11.65 -3.65 1.12 -1.04 -1.26 -5.07 114.28 93.34 1ne3 n THR 19 Ca 0.02 2.44 -0.03 0.00 -2.04 0.00 0.00 64.05 64.43 1ne3 n THR 19 Cb 0.14 -6.19 -0.07 0.00 -1.82 0.00 0.00 70.33 62.39 1ne3 n THR 19 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ne3 s GLY 20 N -0.70 0.22 0.00 3.41 0.00 -1.26 -5.07 107.32 103.92 1ne3 s GLY 20 Ca -0.24 3.32 0.00 0.00 0.00 0.00 0.00 44.72 47.80 1ne3 s GLY 20 CO 0.72 2.31 0.00 -1.84 0.00 0.00 0.00 173.10 174.28 1ne3 n GLU 21 N 2.69 0.00 -5.16 2.90 0.28 -1.26 -5.06 120.64 115.03 1ne3 n GLU 21 Ca -0.15 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.54 1ne3 n GLU 21 Cb 0.57 -0.69 -0.15 0.00 1.43 0.00 0.00 31.44 32.60 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 -1.82 2.35 0.22 3.84 1.01 -1.26 -4.80 120.40 119.94 1ne3 s VAL 22 Ca 0.00 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.09 1ne3 s VAL 22 Cb 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1ne3 s VAL 22 CO 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 175.10 175.65 1ne3 s MET 23 N -0.43 2.27 0.21 2.72 0.23 -0.97 -4.90 119.30 118.43 1ne3 s MET 23 Ca 0.04 -1.29 0.06 0.00 -1.03 0.00 0.00 55.69 53.47 1ne3 s MET 23 Cb -0.12 -2.22 -0.04 0.00 -1.53 0.00 0.00 34.83 30.93 1ne3 s MET 23 CO 0.01 0.41 0.20 1.14 -2.03 0.00 0.00 175.02 174.76 1ne3 s GLN 24 N -3.25 3.02 0.04 3.16 -2.07 -1.15 0.95 119.66 120.36 1ne3 s GLN 24 Ca 0.29 -0.92 -0.01 0.00 -1.82 0.00 0.00 55.36 52.90 1ne3 s GLN 24 Cb -0.08 -2.66 -0.03 0.00 -1.09 0.00 0.00 33.01 29.14 1ne3 s GLN 24 CO 0.18 0.44 -0.03 0.54 -1.32 0.00 0.00 175.29 175.10 1ne3 s VAL 25 N -1.96 0.19 -0.11 3.63 0.11 -1.05 -2.01 120.40 119.21 1ne3 s VAL 25 Ca 0.32 -1.57 0.01 0.00 -2.93 0.00 0.00 61.98 57.81 1ne3 s VAL 25 Cb -0.09 -1.18 -0.02 0.00 -1.53 0.00 0.00 36.38 33.56 1ne3 s VAL 25 CO 0.25 -0.87 -0.13 -0.75 -3.33 0.00 0.00 175.10 170.27 1ne3 s LYS 26 N -3.26 3.16 -0.02 1.54 2.20 1.41 -3.40 119.74 121.38 1ne3 s LYS 26 Ca 0.01 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1ne3 s LYS 26 Cb 0.03 -2.56 0.02 0.00 -1.51 0.00 0.00 37.83 33.81 1ne3 s LYS 26 CO -0.08 0.32 0.01 0.00 -0.36 0.00 0.00 175.35 175.24 1ne3 s ARG 28 N 0.76 3.16 0.29 0.00 3.00 -1.25 -2.46 118.95 122.45 1ne3 s ARG 28 Ca -0.07 -0.37 -0.30 0.00 -1.00 0.00 0.00 55.73 54.00 1ne3 s ARG 28 Cb -0.10 -2.89 -0.13 0.00 0.00 0.00 0.00 34.95 31.84 1ne3 s ARG 28 CO -0.02 0.65 1.36 -0.89 0.00 0.00 0.00 175.30 176.41 1ne3 n ILE 29 N 2.31 1.48 0.18 4.11 5.41 0.51 -4.06 119.36 129.29 1ne3 n ILE 29 Ca -0.19 -0.37 0.09 0.00 1.00 0.00 0.00 62.75 63.29 1ne3 n ILE 29 Cb 0.54 -1.56 -0.14 0.00 -0.71 0.00 0.00 39.64 37.77 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 1.47 0.18 -3.53 1.39 4.77 -1.26 -3.38 117.00 116.65 1ne3 n LEU 30 Ca 0.08 -0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 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 0.05 0.61 -1.81 -1.33 0.00 0.00 177.39 175.53 1ne3 s ASP 31 N -3.91 -0.49 0.00 -1.43 1.01 -1.26 -4.95 116.67 105.63 1ne3 s ASP 31 Ca -0.04 0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.64 1ne3 s ASP 31 Cb 0.13 0.43 0.00 0.00 1.01 0.00 0.00 42.92 44.48 1ne3 s ASP 31 CO 0.79 -0.54 0.00 0.61 0.21 0.00 0.00 175.17 176.24 1ne3 n GLY 32 N 0.54 3.31 0.23 0.21 0.00 -1.26 -4.62 105.19 103.60 1ne3 n GLY 32 Ca -0.14 -1.84 0.16 0.00 0.00 0.00 0.00 46.02 44.21 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 0.11 -2.04 0.34 114.38 113.75 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 -2.64 3.79 -0.80 0.08 8.00 -1.26 -5.02 116.55 118.70 1ne3 n ASP 34 Ca -0.01 -2.00 -0.10 0.00 0.71 0.00 0.00 54.79 53.39 1ne3 n ASP 34 Cb 0.11 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.76 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 1.50 0.00 -0.01 -1.24 4.81 0.12 0.45 118.16 123.79 1ne3 n LYS 35 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 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 0.28 1.20 3.71 3.14 0.00 -1.22 -4.99 105.19 107.31 1ne3 n GLY 36 Ca 0.04 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 -0.60 4.19 -0.16 1.61 3.52 0.17 -4.47 118.95 123.21 1ne3 s ARG 37 Ca 0.00 2.42 0.02 0.00 -0.13 0.00 0.00 55.73 58.04 1ne3 s ARG 37 Cb 0.00 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.12 1ne3 s ARG 37 CO 0.00 -0.69 -0.20 0.42 -0.81 0.00 0.00 175.30 174.02 1ne3 s ILE 38 N 1.66 2.10 -0.14 4.11 1.01 -1.26 0.19 121.20 128.87 1ne3 s ILE 38 Ca 0.73 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1ne3 s ILE 38 Cb -0.44 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1ne3 s ILE 38 CO 0.32 0.54 -0.19 -0.76 0.00 0.00 0.00 174.94 174.85 1ne3 s LEU 39 N 1.07 1.97 -0.19 2.97 1.02 -1.03 -4.99 118.68 119.50 1ne3 s LEU 39 Ca -0.00 -0.55 -0.09 0.00 0.02 0.00 0.00 54.13 53.50 1ne3 s LEU 39 Cb -0.14 -1.33 -0.05 0.00 0.02 0.00 0.00 46.19 44.69 1ne3 s LEU 39 CO -0.08 0.04 0.10 -0.89 0.02 0.00 0.00 176.35 175.54 1ne3 s THR 40 N 0.99 5.14 0.07 5.49 2.01 -1.26 -3.93 115.64 124.15 1ne3 s THR 40 Ca -0.04 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1ne3 s THR 40 Cb -0.15 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1ne3 s THR 40 CO -0.04 0.45 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.14 1ne3 s ARG 41 N 0.36 0.67 -0.24 4.92 3.00 -1.22 -5.00 118.95 121.45 1ne3 s ARG 41 Ca 0.06 -1.09 -0.23 0.00 0.00 0.00 0.00 55.73 54.47 1ne3 s ARG 41 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 34.95 34.67 1ne3 s ARG 41 CO -0.01 -0.01 0.75 0.54 0.00 0.00 0.00 175.30 176.56 1ne3 s ASN 42 N -2.45 6.73 -0.01 0.23 2.20 -1.26 -2.53 114.94 117.85 1ne3 s ASN 42 Ca 0.02 0.91 0.03 0.00 -0.94 0.00 0.00 52.86 52.88 1ne3 s ASN 42 Cb -0.00 -2.40 -0.01 0.00 -2.00 0.00 0.00 41.25 36.85 1ne3 s ASN 42 CO -0.04 -0.45 -0.10 0.54 -2.94 0.00 0.00 177.10 174.12 1ne3 s VAL 43 N 2.65 0.76 -0.21 3.54 0.11 0.27 -4.94 120.40 122.58 1ne3 s VAL 43 Ca 0.31 -0.40 -0.13 0.00 -2.93 0.00 0.00 61.98 58.83 1ne3 s VAL 43 Cb -0.15 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1ne3 s VAL 43 CO 0.08 0.22 0.25 -0.32 -3.33 0.00 0.00 175.10 172.00 1ne3 s MET 44 N -0.16 4.14 0.00 1.54 1.75 -1.26 -2.30 119.30 123.00 1ne3 s MET 44 Ca 0.03 -0.06 0.00 0.00 -1.25 0.00 0.00 55.69 54.41 1ne3 s MET 44 Cb -0.04 -3.51 0.00 0.00 2.84 0.00 0.00 34.83 34.11 1ne3 s MET 44 CO -0.00 0.07 0.00 0.41 -0.65 0.00 0.00 175.02 174.85 1ne3 n GLY 45 N 3.98 3.82 3.57 2.11 0.00 -1.26 -4.99 105.19 112.41 1ne3 n GLY 45 Ca -0.12 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.70 3.14 -0.12 1.61 0.04 -1.26 -4.91 135.00 130.80 1ne3 s PRO 46 Ca 0.00 -1.03 0.01 0.00 0.04 0.00 0.00 61.00 60.01 1ne3 s PRO 46 Cb 0.00 -5.28 0.02 0.00 0.04 0.00 0.00 34.50 29.28 1ne3 s PRO 46 CO 0.00 -2.91 -0.13 -1.50 0.04 0.00 0.00 177.00 172.50 1ne3 s ILE 47 N 7.54 1.38 0.19 0.56 2.07 -1.26 -5.13 121.20 126.55 1ne3 s ILE 47 Ca 0.59 -0.54 0.06 0.00 -1.41 0.00 0.00 60.65 59.35 1ne3 s ILE 47 Cb -0.01 -1.30 -0.05 0.00 0.13 0.00 0.00 42.46 41.23 1ne3 s ILE 47 CO 0.00 0.42 -0.11 0.00 -1.91 0.00 0.00 174.94 173.34 1ne3 s ARG 48 N 1.28 1.25 0.11 3.50 3.03 -1.26 -4.96 118.95 121.90 1ne3 s ARG 48 Ca -0.01 -1.56 -0.24 0.00 2.03 0.00 0.00 55.73 55.95 1ne3 s ARG 48 Cb -0.14 -0.92 -0.14 0.00 -1.03 0.00 0.00 34.95 32.72 1ne3 s ARG 48 CO -0.05 0.12 0.52 -0.85 -1.13 0.00 0.00 175.30 173.91 1ne3 n GLU 49 N -0.33 0.00 0.00 3.89 0.28 -1.26 -2.56 120.64 120.65 1ne3 n GLU 49 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1ne3 n GLU 49 Cb 0.61 -0.88 0.00 0.00 1.43 0.00 0.00 31.44 32.60 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 1.44 2.24 3.73 -1.84 0.00 0.62 -4.91 105.19 106.46 1ne3 n GLY 50 Ca 0.14 0.00 -0.29 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 -1.47 3.04 0.03 1.61 1.11 -1.06 -4.48 116.67 115.45 1ne3 s ASP 51 Ca 0.00 1.08 -0.00 0.00 0.18 0.00 0.00 52.55 53.81 1ne3 s ASP 51 Cb 0.00 -1.71 -0.04 0.00 1.07 0.00 0.00 42.92 42.24 1ne3 s ASP 51 CO 0.00 -2.86 0.15 -0.63 1.18 0.00 0.00 175.17 173.01 1ne3 s ILE 52 N -3.11 5.11 0.11 0.77 1.01 -1.26 0.19 121.20 124.01 1ne3 s ILE 52 Ca 0.65 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1ne3 s ILE 52 Cb -0.17 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1ne3 s ILE 52 CO 0.56 0.24 -0.01 -0.76 0.00 0.00 0.00 174.94 174.97 1ne3 s LEU 53 N -2.14 2.23 -0.29 2.97 2.01 0.18 -4.86 118.68 118.77 1ne3 s LEU 53 Ca 0.29 -1.09 -0.00 0.00 0.01 0.00 0.00 54.13 53.34 1ne3 s LEU 53 Cb -0.13 0.11 0.06 0.00 0.01 0.00 0.00 46.19 46.24 1ne3 s LEU 53 CO 0.21 -0.60 -0.03 -0.04 1.01 0.00 0.00 176.35 176.90 1ne3 s MET 54 N -3.93 2.34 -0.41 1.70 -1.94 -1.26 -2.89 119.30 112.91 1ne3 s MET 54 Ca 0.16 -1.31 -0.11 0.00 -1.71 0.00 0.00 55.69 52.71 1ne3 s MET 54 Cb 0.07 -3.09 0.06 0.00 2.01 0.00 0.00 34.83 33.87 1ne3 s MET 54 CO -0.03 -0.62 0.27 -0.51 -0.01 0.00 0.00 175.02 174.12 1ne3 s LEU 55 N 1.19 5.08 0.01 -0.03 1.02 -0.99 -4.74 118.68 120.23 1ne3 s LEU 55 Ca -0.06 -1.26 0.01 0.00 0.02 0.00 0.00 54.13 52.84 1ne3 s LEU 55 Cb -0.20 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.93 1ne3 s LEU 55 CO -0.03 -0.50 0.06 -1.48 0.02 0.00 0.00 176.35 174.43 1ne3 s LEU 56 N 1.52 3.79 -0.26 1.79 -0.00 -1.26 0.25 118.68 124.51 1ne3 s LEU 56 Ca 0.03 0.08 -0.40 0.00 -0.00 0.00 0.00 54.13 53.84 1ne3 s LEU 56 Cb -0.22 -2.25 -0.15 0.00 -0.00 0.00 0.00 46.19 43.57 1ne3 s LEU 56 CO 0.05 0.25 1.76 0.47 -0.00 0.00 0.00 176.35 178.89 1ne3 n ASP 57 N 1.09 2.50 -4.79 1.48 9.92 -1.23 -4.91 116.55 120.61 1ne3 n ASP 57 Ca -0.13 1.06 -0.37 0.00 -0.53 0.00 0.00 54.79 54.82 1ne3 n ASP 57 Cb 0.52 -1.16 -0.06 0.00 -0.64 0.00 0.00 41.12 39.78 1ne3 n ASP 57 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1ne3 s THR 58 N 3.63 5.18 -0.17 -3.53 2.01 -1.26 -5.07 115.64 116.42 1ne3 s THR 58 Ca 0.98 0.72 -0.07 0.00 0.31 0.00 0.00 61.69 63.63 1ne3 s THR 58 Cb -1.03 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 67.76 1ne3 s THR 58 CO 0.64 0.48 0.05 -0.63 -0.69 0.00 0.00 174.62 174.47 1ne3 s ILE 59 N -0.31 4.66 0.57 1.82 1.01 -1.26 -5.08 121.20 122.61 1ne3 s ILE 59 Ca 0.21 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.58 1ne3 s ILE 59 Cb -0.15 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1ne3 s ILE 59 CO 0.09 0.48 1.26 0.00 0.00 0.00 0.00 174.94 176.76 1ne3 s ARG 60 N 0.28 3.05 0.19 2.79 3.03 -1.26 -5.02 118.95 122.02 1ne3 s ARG 60 Ca 0.03 1.96 0.04 0.00 2.03 0.00 0.00 55.73 59.79 1ne3 s ARG 60 Cb -0.13 -2.06 -0.03 0.00 -1.03 0.00 0.00 34.95 31.70 1ne3 s ARG 60 CO 0.01 -1.18 0.29 -2.00 -1.13 0.00 0.00 175.30 171.29 1ne3 s GLU 61 N -3.14 3.34 -0.24 3.89 2.12 -1.26 -5.05 118.70 118.35 1ne3 s GLU 61 Ca 0.75 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 55.06 1ne3 s GLU 61 Cb -0.34 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 1ne3 s GLU 61 CO 0.38 0.47 1.35 0.00 -0.54 0.00 0.00 175.26 176.92 1ne3 s ALA 62 N -1.86 3.45 0.14 6.30 0.00 -1.26 -4.99 121.76 123.54 1ne3 s ALA 62 Ca 0.34 0.29 -0.27 0.00 0.00 0.00 0.00 51.96 52.32 1ne3 s ALA 62 Cb -0.10 -3.74 -0.07 0.00 0.00 0.00 0.00 23.12 19.21 1ne3 s ALA 62 CO 0.28 -1.61 0.85 0.15 0.00 0.00 0.00 175.76 175.42 1ne3 s LYS 63 N 4.05 4.64 0.06 0.00 -0.14 -1.26 -5.06 119.74 122.03 1ne3 s LYS 63 Ca 0.59 1.27 0.02 0.00 -1.36 0.00 0.00 55.97 56.48 1ne3 s LYS 63 Cb -0.20 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.60 1ne3 s LYS 63 CO 0.22 0.43 0.11 -1.83 -0.76 0.00 0.00 175.35 173.51 1ne3 s GLU 64 N -0.68 3.04 0.24 1.68 -1.05 -1.26 -5.10 118.70 115.57 1ne3 s GLU 64 Ca 0.40 -0.59 -0.17 0.00 -0.15 0.00 0.00 54.97 54.46 1ne3 s GLU 64 Cb -0.23 -2.82 -0.08 0.00 -0.44 0.00 0.00 34.13 30.55 1ne3 s GLU 64 CO 0.27 0.59 0.69 0.42 0.95 0.00 0.00 175.26 178.19 1ne3 s ILE 65 N -1.37 4.67 -0.28 1.83 1.01 -1.26 -5.04 121.20 120.76 1ne3 s ILE 65 Ca 0.29 1.07 -0.18 0.00 0.00 0.00 0.00 60.65 61.83 1ne3 s ILE 65 Cb -0.12 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1ne3 s ILE 65 CO 0.21 0.08 0.50 -0.13 0.00 0.00 0.00 174.94 175.60 1ne3 s ARG 66 N -2.31 4.00 0.10 2.79 3.00 -1.26 -5.06 118.95 120.20 1ne3 s ARG 66 Ca 0.46 0.22 -0.07 0.00 0.00 0.00 0.00 55.73 56.33 1ne3 s ARG 66 Cb -0.14 -3.68 -0.06 0.00 0.00 0.00 0.00 34.95 31.08 1ne3 s ARG 66 CO 0.20 -0.38 0.37 0.95 0.00 0.00 0.00 175.30 176.43 1ne3 s THR 67 N 2.29 5.16 -2.00 0.02 -4.23 -1.26 -5.37 115.64 110.25 1ne3 s THR 67 Ca 0.20 0.20 0.24 0.00 -1.18 0.00 0.00 61.69 61.15 1ne3 s THR 67 Cb -0.16 -3.62 0.68 0.00 1.34 0.00 0.00 72.50 70.74 1ne3 s THR 67 CO 0.10 0.17 1.80 -0.81 -0.54 0.00 0.00 174.62 175.34