#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 0.36 -0.41 6.12 3.32 -2.02 -3.35 116.42 120.44 1ne3 h ASP 2 Ca 0.00 -0.44 0.05 0.00 0.02 0.00 0.00 57.03 56.66 1ne3 h ASP 2 Cb 0.00 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.36 1ne3 h ASP 2 CO 0.00 1.36 -0.51 0.44 -1.72 0.00 0.00 179.24 178.81 1ne3 h ASP 3 N 0.06 -1.71 -3.96 6.45 3.32 -2.05 -3.40 116.42 115.13 1ne3 h ASP 3 Ca -0.18 0.23 -0.68 0.00 0.02 0.00 0.00 57.03 56.41 1ne3 h ASP 3 Cb 1.98 0.70 -0.22 0.00 0.22 0.00 0.00 39.33 42.01 1ne3 h ASP 3 CO 0.17 -0.35 -0.81 0.00 -1.72 0.00 0.00 179.24 176.53 1ne3 s ALA 4 N -5.44 2.58 -0.05 3.45 0.00 -1.26 -4.33 121.76 116.71 1ne3 s ALA 4 Ca -0.13 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.55 1ne3 s ALA 4 Cb 0.08 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1ne3 s ALA 4 CO 0.55 0.57 0.21 0.99 0.00 0.00 0.00 175.76 178.09 1ne3 s THR 5 N -0.94 5.38 -0.02 0.00 2.01 -0.50 -4.49 115.64 117.08 1ne3 s THR 5 Ca 0.15 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 1ne3 s THR 5 Cb -0.10 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1ne3 s THR 5 CO 0.06 0.48 1.20 -2.16 -0.69 0.00 0.00 174.62 173.51 1ne3 s PRO 6 N -1.44 4.37 0.05 4.92 0.04 -1.26 -1.62 135.00 140.06 1ne3 s PRO 6 Ca 0.22 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 1ne3 s PRO 6 Cb -0.13 -3.51 -0.02 0.00 0.04 0.00 0.00 34.50 30.88 1ne3 s PRO 6 CO 0.11 -0.40 0.07 0.00 0.04 0.00 0.00 177.00 176.82 1ne3 s ALA 7 N 1.92 0.09 -0.14 8.56 0.00 -1.07 -3.73 121.76 127.40 1ne3 s ALA 7 Ca 0.57 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 1ne3 s ALA 7 Cb -0.26 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1ne3 s ALA 7 CO 0.24 -0.35 -0.04 -1.21 0.00 0.00 0.00 175.76 174.40 1ne3 s GLU 8 N -3.11 3.47 -0.05 0.00 2.02 -1.25 -1.56 118.70 118.22 1ne3 s GLU 8 Ca -0.01 -0.52 -0.36 0.00 0.02 0.00 0.00 54.97 54.11 1ne3 s GLU 8 Cb 0.02 -2.85 -0.14 0.00 0.10 0.00 0.00 34.13 31.26 1ne3 s GLU 8 CO -0.07 0.35 1.70 0.28 0.02 0.00 0.00 175.26 177.54 1ne3 n VAL 9 N 3.20 0.30 -0.11 2.63 0.31 0.23 -3.71 118.33 121.19 1ne3 n VAL 9 Ca -0.18 -0.05 -0.15 0.00 -0.01 0.00 0.00 64.34 63.95 1ne3 n VAL 9 Cb 0.53 -1.49 -0.10 0.00 -0.91 0.00 0.00 33.84 31.87 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 4.25 1.22 -4.27 2.52 -6.64 -0.69 0.21 119.36 115.96 1ne3 n ILE 10 Ca 0.22 -0.45 -0.18 0.00 -1.77 0.00 0.00 62.75 60.56 1ne3 n ILE 10 Cb 0.24 -1.29 -0.15 0.00 -1.44 0.00 0.00 39.64 37.00 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 -2.42 0.63 -0.13 6.28 2.56 -0.16 -4.72 118.70 120.74 1ne3 s GLU 11 Ca -0.29 -0.25 0.02 0.00 0.00 0.00 0.00 54.97 54.45 1ne3 s GLU 11 Cb 0.08 -0.61 0.00 0.00 2.00 0.00 0.00 34.13 35.60 1ne3 s GLU 11 CO 0.48 0.13 -0.20 0.54 -0.56 0.00 0.00 175.26 175.65 1ne3 s VAL 12 N -0.06 2.25 -0.39 3.70 0.11 -1.26 0.44 120.40 125.19 1ne3 s VAL 12 Ca 0.01 -0.93 -0.11 0.00 -2.93 0.00 0.00 61.98 58.02 1ne3 s VAL 12 Cb -0.04 -1.90 0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1ne3 s VAL 12 CO -0.00 0.54 0.23 -0.76 -3.33 0.00 0.00 175.10 171.78 1ne3 s LEU 13 N 0.67 4.87 -0.01 2.54 1.43 -0.94 -4.85 118.68 122.39 1ne3 s LEU 13 Ca -0.10 -1.09 0.02 0.00 -1.03 0.00 0.00 54.13 51.94 1ne3 s LEU 13 Cb -0.16 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 1ne3 s LEU 13 CO 0.02 -0.43 -0.08 -1.59 0.23 0.00 0.00 176.35 174.50 1ne3 s LYS 14 N 1.55 0.67 -0.18 1.70 -2.85 -1.26 -2.82 119.74 116.55 1ne3 s LYS 14 Ca 0.02 -0.27 -0.06 0.00 -1.00 0.00 0.00 55.97 54.67 1ne3 s LYS 14 Cb -0.20 -0.65 -0.03 0.00 -2.06 0.00 0.00 37.83 34.89 1ne3 s LYS 14 CO 0.06 0.14 0.02 0.50 0.10 0.00 0.00 175.35 176.18 1ne3 s ARG 15 N -0.07 3.78 0.06 1.78 6.06 -1.26 -5.08 118.95 124.22 1ne3 s ARG 15 Ca 0.01 -0.44 -0.28 0.00 -2.50 0.00 0.00 55.73 52.52 1ne3 s ARG 15 Cb -0.04 -3.11 -0.05 0.00 0.06 0.00 0.00 34.95 31.80 1ne3 s ARG 15 CO -0.00 0.17 0.87 0.99 -2.50 0.00 0.00 175.30 174.83 1ne3 s THR 16 N 0.62 4.66 0.00 4.11 2.01 -1.26 -4.75 115.64 121.04 1ne3 s THR 16 Ca 0.01 1.86 0.00 0.00 0.31 0.00 0.00 61.69 63.87 1ne3 s THR 16 Cb -0.14 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.15 1ne3 s THR 16 CO 0.02 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1ne3 n GLY 17 N 2.43 0.51 3.45 4.40 0.00 -1.26 -5.05 105.19 109.66 1ne3 n GLY 17 Ca 0.01 -0.91 -0.51 0.00 0.00 0.00 0.00 46.02 44.61 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 1.07 -3.49 1.61 0.00 -1.26 -4.87 117.12 110.19 1ne3 n MET 18 Ca 0.00 0.29 -0.41 0.00 0.00 0.00 0.00 57.70 57.58 1ne3 n MET 18 Cb 0.00 -2.45 -0.03 0.00 0.00 0.00 0.00 33.22 30.74 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 7.23 5.14 0.14 1.12 2.01 -1.26 -4.69 115.64 125.33 1ne3 s THR 19 Ca 1.09 -3.48 0.00 0.00 0.31 0.00 0.00 61.69 59.61 1ne3 s THR 19 Cb -0.87 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 67.50 1ne3 s THR 19 CO 0.49 -1.11 0.00 0.61 -0.69 0.00 0.00 174.62 173.92 1ne3 n GLY 20 N 2.73 -0.18 3.67 4.40 0.00 -1.26 -5.11 105.19 109.44 1ne3 n GLY 20 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1ne3 n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ne3 s GLU 21 N -1.63 0.23 0.28 1.61 2.12 -1.26 -5.01 118.70 115.04 1ne3 s GLU 21 Ca 0.00 0.42 -0.23 0.00 0.36 0.00 0.00 54.97 55.53 1ne3 s GLU 21 Cb 0.00 -1.72 -0.09 0.00 0.26 0.00 0.00 34.13 32.58 1ne3 s GLU 21 CO 0.00 -2.84 0.84 0.14 -0.54 0.00 0.00 175.26 172.85 1ne3 s VAL 22 N -2.99 4.40 0.48 3.70 -7.23 -1.26 -5.00 120.40 112.50 1ne3 s VAL 22 Ca 0.66 1.54 -0.06 0.00 -1.81 0.00 0.00 61.98 62.31 1ne3 s VAL 22 Cb -0.18 -3.91 -0.04 0.00 0.56 0.00 0.00 36.38 32.81 1ne3 s VAL 22 CO 0.57 0.15 0.80 0.00 -0.31 0.00 0.00 175.10 176.31 1ne3 s MET 23 N -2.08 3.57 0.22 4.82 0.23 -0.98 -4.62 119.30 120.46 1ne3 s MET 23 Ca 0.47 0.26 0.06 0.00 -1.03 0.00 0.00 55.69 55.46 1ne3 s MET 23 Cb -0.17 -2.36 -0.04 0.00 -1.53 0.00 0.00 34.83 30.73 1ne3 s MET 23 CO 0.22 -0.21 0.18 1.14 -2.03 0.00 0.00 175.02 174.32 1ne3 s GLN 24 N -4.67 2.91 0.03 3.16 0.00 -1.13 0.20 119.66 120.17 1ne3 s GLN 24 Ca 0.48 -1.00 0.01 0.00 -0.00 0.00 0.00 55.36 54.85 1ne3 s GLN 24 Cb -0.10 -2.59 -0.02 0.00 0.00 0.00 0.00 33.01 30.30 1ne3 s GLN 24 CO 0.44 0.43 -0.05 0.54 0.00 0.00 0.00 175.29 176.65 1ne3 s VAL 25 N -2.01 0.28 -0.16 3.63 0.11 -0.76 -2.22 120.40 119.27 1ne3 s VAL 25 Ca 0.32 -1.02 -0.05 0.00 -2.93 0.00 0.00 61.98 58.30 1ne3 s VAL 25 Cb -0.09 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1ne3 s VAL 25 CO 0.24 -0.48 -0.01 -0.75 -3.33 0.00 0.00 175.10 170.77 1ne3 s LYS 26 N -1.63 3.75 -0.03 1.54 2.20 1.50 -3.02 119.74 124.04 1ne3 s LYS 26 Ca -0.12 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.02 1ne3 s LYS 26 Cb -0.09 -3.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.25 1ne3 s LYS 26 CO -0.01 0.24 -0.02 0.00 -0.36 0.00 0.00 175.35 175.20 1ne3 s ARG 28 N 0.87 3.51 0.42 0.00 3.00 -1.24 -2.32 118.95 123.20 1ne3 s ARG 28 Ca -0.10 -0.15 -0.25 0.00 -1.00 0.00 0.00 55.73 54.23 1ne3 s ARG 28 Cb -0.13 -3.20 -0.10 0.00 0.00 0.00 0.00 34.95 31.52 1ne3 s ARG 28 CO -0.01 0.72 1.16 -0.89 0.00 0.00 0.00 175.30 176.28 1ne3 n ILE 29 N 2.18 2.57 0.13 4.11 5.41 0.60 -3.89 119.36 130.48 1ne3 n ILE 29 Ca -0.19 -0.50 0.05 0.00 1.00 0.00 0.00 62.75 63.10 1ne3 n ILE 29 Cb 0.55 -1.39 -0.07 0.00 -0.71 0.00 0.00 39.64 38.02 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 0.28 0.14 -3.54 1.39 4.77 -1.24 -3.52 117.00 115.28 1ne3 n LEU 30 Ca 0.08 -0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.77 1ne3 n LEU 30 Cb 0.39 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1ne3 n LEU 30 CO 0.58 0.03 0.60 1.51 -1.33 0.00 0.00 177.39 178.78 1ne3 s ASP 31 N -2.72 -0.51 0.00 -1.43 1.47 -1.26 -4.93 116.67 107.29 1ne3 s ASP 31 Ca -0.01 0.50 0.00 0.00 1.18 0.00 0.00 52.55 54.21 1ne3 s ASP 31 Cb 0.06 0.43 0.00 0.00 -0.34 0.00 0.00 42.92 43.07 1ne3 s ASP 31 CO 0.39 -0.51 0.00 0.61 0.68 0.00 0.00 175.17 176.34 1ne3 n GLY 32 N 0.69 3.02 0.24 2.12 0.00 -1.26 -4.62 105.19 105.37 1ne3 n GLY 32 Ca -0.14 -1.88 0.16 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 -0.60 1.61 1.12 -2.02 0.14 114.38 114.63 1ne3 h ARG 33 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ne3 h ARG 33 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1ne3 h ARG 33 CO 0.00 0.00 0.00 -0.25 -3.11 0.00 0.00 179.97 176.61 1ne3 n ASP 34 N -2.70 3.77 -0.92 -3.80 8.00 -1.26 -5.03 116.55 114.61 1ne3 n ASP 34 Ca -0.01 -2.08 -0.11 0.00 0.71 0.00 0.00 54.79 53.30 1ne3 n ASP 34 Cb 0.16 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 40.81 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 1.20 0.00 -0.04 -1.24 4.81 0.48 0.45 118.16 123.82 1ne3 n LYS 35 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1ne3 n LYS 35 Cb 0.61 -0.27 0.00 0.00 0.02 0.00 0.00 35.03 35.38 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 0.34 1.44 3.71 3.14 0.00 -1.23 -5.01 105.19 107.58 1ne3 n GLY 36 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.50 4.18 -0.10 1.61 3.52 0.17 -4.49 118.95 123.35 1ne3 s ARG 37 Ca 0.00 2.43 0.03 0.00 -0.13 0.00 0.00 55.73 58.06 1ne3 s ARG 37 Cb 0.00 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 30.06 1ne3 s ARG 37 CO 0.00 -0.70 -0.18 0.42 -0.81 0.00 0.00 175.30 174.03 1ne3 s ILE 38 N 1.75 2.61 0.04 4.11 1.09 -1.26 0.22 121.20 129.75 1ne3 s ILE 38 Ca 0.73 -0.84 0.01 0.00 -1.10 0.00 0.00 60.65 59.46 1ne3 s ILE 38 Cb -0.44 -2.03 -0.02 0.00 -1.06 0.00 0.00 42.46 38.90 1ne3 s ILE 38 CO 0.32 0.55 -0.06 -0.76 -0.10 0.00 0.00 174.94 174.89 1ne3 s LEU 39 N 0.08 2.26 -0.02 2.97 2.01 -0.98 -5.01 118.68 119.99 1ne3 s LEU 39 Ca -0.08 -0.55 0.07 0.00 0.01 0.00 0.00 54.13 53.57 1ne3 s LEU 39 Cb -0.15 -0.07 -0.02 0.00 0.01 0.00 0.00 46.19 45.96 1ne3 s LEU 39 CO 0.05 -0.25 -0.22 -0.89 1.01 0.00 0.00 176.35 176.05 1ne3 s THR 40 N -1.51 1.74 0.04 5.49 2.01 -1.26 -2.71 115.64 119.44 1ne3 s THR 40 Ca -0.11 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 60.92 1ne3 s THR 40 Cb -0.09 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 1ne3 s THR 40 CO -0.00 0.49 0.04 -0.13 -0.69 0.00 0.00 174.62 174.33 1ne3 s ARG 41 N -0.49 0.53 -0.25 4.92 0.52 -1.17 -4.98 118.95 118.03 1ne3 s ARG 41 Ca 0.08 -0.82 -0.21 0.00 -0.52 0.00 0.00 55.73 54.25 1ne3 s ARG 41 Cb -0.09 0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.56 1ne3 s ARG 41 CO -0.01 -0.12 0.68 0.54 0.02 0.00 0.00 175.30 176.42 1ne3 s ASN 42 N -2.14 6.65 -0.02 0.23 4.22 -1.26 -1.83 114.94 120.79 1ne3 s ASN 42 Ca -0.05 0.80 0.01 0.00 -2.14 0.00 0.00 52.86 51.49 1ne3 s ASN 42 Cb -0.01 -2.36 0.01 0.00 1.28 0.00 0.00 41.25 40.17 1ne3 s ASN 42 CO -0.05 -0.40 -0.04 0.54 -2.04 0.00 0.00 177.10 175.11 1ne3 s VAL 43 N 2.53 0.40 -0.15 3.54 0.11 0.54 -4.93 120.40 122.45 1ne3 s VAL 43 Ca 0.29 -0.13 -0.21 0.00 -2.93 0.00 0.00 61.98 59.00 1ne3 s VAL 43 Cb -0.15 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1ne3 s VAL 43 CO 0.08 0.16 0.61 -0.32 -3.33 0.00 0.00 175.10 172.30 1ne3 s MET 44 N 0.44 4.30 0.00 1.54 1.75 -1.26 -2.33 119.30 123.74 1ne3 s MET 44 Ca -0.05 0.64 0.00 0.00 -1.25 0.00 0.00 55.69 55.03 1ne3 s MET 44 Cb -0.09 -3.51 0.00 0.00 2.84 0.00 0.00 34.83 34.07 1ne3 s MET 44 CO -0.00 -0.07 0.00 0.41 -0.65 0.00 0.00 175.02 174.71 1ne3 n GLY 45 N 3.49 4.07 3.56 2.11 0.00 -1.26 -4.99 105.19 112.18 1ne3 n GLY 45 Ca -0.03 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.97 3.12 -0.12 1.61 0.04 -1.26 -4.87 135.00 130.55 1ne3 s PRO 46 Ca 0.00 -0.86 0.01 0.00 0.04 0.00 0.00 61.00 60.19 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 -2.83 -0.14 -1.50 0.04 0.00 0.00 177.00 172.57 1ne3 s ILE 47 N 7.46 1.43 0.18 0.56 2.07 -1.26 -5.13 121.20 126.52 1ne3 s ILE 47 Ca 0.58 -0.58 0.07 0.00 -1.41 0.00 0.00 60.65 59.30 1ne3 s ILE 47 Cb -0.02 -1.33 -0.05 0.00 0.13 0.00 0.00 42.46 41.19 1ne3 s ILE 47 CO -0.03 0.43 -0.13 0.00 -1.91 0.00 0.00 174.94 173.30 1ne3 s ARG 48 N 1.19 1.23 0.14 3.50 3.03 -1.26 -4.94 118.95 121.84 1ne3 s ARG 48 Ca -0.03 -1.52 -0.24 0.00 2.03 0.00 0.00 55.73 55.97 1ne3 s ARG 48 Cb -0.14 -0.97 -0.14 0.00 -1.03 0.00 0.00 34.95 32.67 1ne3 s ARG 48 CO -0.04 0.16 0.48 -0.85 -1.13 0.00 0.00 175.30 173.91 1ne3 n GLU 49 N -0.25 0.00 0.00 3.89 0.28 -1.26 -2.74 120.64 120.55 1ne3 n GLU 49 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1ne3 n GLU 49 Cb 0.60 -0.85 0.00 0.00 1.43 0.00 0.00 31.44 32.62 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 1.54 2.46 3.35 -1.84 0.00 0.57 -4.93 105.19 106.34 1ne3 n GLY 50 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1ne3 n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ne3 n ASP 51 N 0.00 -0.91 -4.15 1.61 9.92 -1.11 -4.57 116.55 117.35 1ne3 n ASP 51 Ca 0.00 -1.28 -0.28 0.00 -0.53 0.00 0.00 54.79 52.70 1ne3 n ASP 51 Cb 0.00 -0.92 -0.17 0.00 -0.64 0.00 0.00 41.12 39.40 1ne3 n ASP 51 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1ne3 s ILE 52 N -3.24 1.65 0.11 0.53 1.01 -1.26 0.75 121.20 120.75 1ne3 s ILE 52 Ca 0.67 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1ne3 s ILE 52 Cb -0.04 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1ne3 s ILE 52 CO 0.49 0.47 -0.03 -0.76 0.00 0.00 0.00 174.94 175.11 1ne3 s LEU 53 N 0.32 2.32 -0.18 2.97 1.43 -0.60 -4.95 118.68 119.99 1ne3 s LEU 53 Ca -0.13 -1.07 -0.12 0.00 -1.03 0.00 0.00 54.13 51.79 1ne3 s LEU 53 Cb -0.16 0.05 -0.05 0.00 0.03 0.00 0.00 46.19 46.06 1ne3 s LEU 53 CO 0.05 -0.56 0.20 -0.04 0.23 0.00 0.00 176.35 176.24 1ne3 s MET 54 N -3.90 4.19 -0.40 1.70 -1.94 -1.26 -2.59 119.30 115.10 1ne3 s MET 54 Ca 0.15 -0.08 -0.15 0.00 -1.71 0.00 0.00 55.69 53.91 1ne3 s MET 54 Cb 0.06 -3.41 0.02 0.00 2.01 0.00 0.00 34.83 33.51 1ne3 s MET 54 CO -0.03 0.29 0.29 -0.51 -0.01 0.00 0.00 175.02 175.05 1ne3 s LEU 55 N 0.35 5.04 -0.09 -0.03 2.01 -0.64 -4.87 118.68 120.45 1ne3 s LEU 55 Ca 0.12 -0.87 -0.04 0.00 0.01 0.00 0.00 54.13 53.35 1ne3 s LEU 55 Cb -0.12 -2.15 -0.04 0.00 0.01 0.00 0.00 46.19 43.90 1ne3 s LEU 55 CO 0.01 -0.43 0.07 -0.22 1.01 0.00 0.00 176.35 176.78 1ne3 s LEU 56 N 1.67 3.93 -0.02 1.79 2.96 -1.26 -1.40 118.68 126.35 1ne3 s LEU 56 Ca 0.05 0.27 -0.34 0.00 -0.22 0.00 0.00 54.13 53.89 1ne3 s LEU 56 Cb -0.19 -1.98 -0.12 0.00 0.50 0.00 0.00 46.19 44.40 1ne3 s LEU 56 CO 0.10 0.38 1.82 0.47 -1.32 0.00 0.00 176.35 177.79 1ne3 n ASP 57 N 1.94 3.45 -4.65 3.68 9.92 -1.26 -4.93 116.55 124.71 1ne3 n ASP 57 Ca -0.18 0.99 -0.39 0.00 -0.53 0.00 0.00 54.79 54.68 1ne3 n ASP 57 Cb 0.54 -1.40 -0.07 0.00 -0.64 0.00 0.00 41.12 39.55 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 3.37 5.11 -0.13 -3.53 2.01 -1.26 -5.06 115.64 116.15 1ne3 s THR 58 Ca 0.89 0.87 -0.04 0.00 0.31 0.00 0.00 61.69 63.72 1ne3 s THR 58 Cb -0.66 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 1ne3 s THR 58 CO 0.47 0.16 0.01 -0.51 -0.69 0.00 0.00 174.62 174.06 1ne3 s ILE 59 N 1.81 4.35 0.24 1.82 1.10 -1.26 -5.10 121.20 124.16 1ne3 s ILE 59 Ca 0.22 -0.21 -0.10 0.00 -0.51 0.00 0.00 60.65 60.05 1ne3 s ILE 59 Cb -0.15 -2.89 -0.07 0.00 0.15 0.00 0.00 42.46 39.50 1ne3 s ILE 59 CO 0.09 0.53 0.57 -0.13 -2.11 0.00 0.00 174.94 173.89 1ne3 s ARG 60 N -0.19 3.80 0.19 3.50 1.81 -1.26 -5.06 118.95 121.74 1ne3 s ARG 60 Ca 0.05 0.29 -0.27 0.00 -1.72 0.00 0.00 55.73 54.08 1ne3 s ARG 60 Cb -0.12 -2.63 -0.08 0.00 -0.45 0.00 0.00 34.95 31.67 1ne3 s ARG 60 CO 0.02 0.29 0.84 -1.83 -0.68 0.00 0.00 175.30 173.95 1ne3 s GLU 61 N -2.89 4.68 -0.12 3.54 1.03 -1.26 -5.05 118.70 118.63 1ne3 s GLU 61 Ca 0.48 1.29 -0.05 0.00 0.03 0.00 0.00 54.97 56.71 1ne3 s GLU 61 Cb -0.11 -3.27 -0.04 0.00 -0.80 0.00 0.00 34.13 29.91 1ne3 s GLU 61 CO 0.22 0.53 0.08 0.00 -1.33 0.00 0.00 175.26 174.76 1ne3 s ALA 62 N -1.10 3.60 -0.23 -0.84 0.00 -1.26 -5.07 121.76 116.86 1ne3 s ALA 62 Ca 0.38 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 51.41 1ne3 s ALA 62 Cb -0.24 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 1ne3 s ALA 62 CO 0.28 0.54 0.70 0.21 0.00 0.00 0.00 175.76 177.50 1ne3 s LYS 63 N -0.76 4.17 -0.13 0.00 2.36 -1.26 -5.04 119.74 119.07 1ne3 s LYS 63 Ca 0.13 0.71 -0.06 0.00 -2.55 0.00 0.00 55.97 54.19 1ne3 s LYS 63 Cb -0.12 -3.63 -0.04 0.00 -1.05 0.00 0.00 37.83 33.00 1ne3 s LYS 63 CO 0.03 -0.40 0.11 -1.83 1.55 0.00 0.00 175.35 174.81 1ne3 s GLU 64 N 2.44 3.47 0.02 4.03 -1.05 -1.26 -5.07 118.70 121.28 1ne3 s GLU 64 Ca 0.30 -0.20 -0.30 0.00 -0.15 0.00 0.00 54.97 54.62 1ne3 s GLU 64 Cb -0.16 -3.14 -0.04 0.00 -0.44 0.00 0.00 34.13 30.35 1ne3 s GLU 64 CO 0.09 0.68 1.00 -1.50 0.95 0.00 0.00 175.26 176.48 1ne3 s ILE 65 N -0.76 4.74 0.28 1.83 2.07 -1.26 -5.01 121.20 123.08 1ne3 s ILE 65 Ca 0.13 2.00 -0.29 0.00 -1.41 0.00 0.00 60.65 61.09 1ne3 s ILE 65 Cb -0.12 -4.28 -0.09 0.00 0.13 0.00 0.00 42.46 38.10 1ne3 s ILE 65 CO 0.03 0.18 1.03 -0.13 -1.91 0.00 0.00 174.94 174.14 1ne3 s ARG 66 N 0.87 4.65 0.09 3.50 0.52 -1.26 -5.06 118.95 122.26 1ne3 s ARG 66 Ca 0.52 1.64 0.10 0.00 -0.52 0.00 0.00 55.73 57.47 1ne3 s ARG 66 Cb -0.22 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1ne3 s ARG 66 CO 0.28 0.27 -0.27 0.95 0.02 0.00 0.00 175.30 176.56 1ne3 s THR 67 N -1.26 2.20 -2.00 0.02 -4.23 -1.26 -5.36 115.64 103.76 1ne3 s THR 67 Ca 0.45 -1.59 0.24 0.00 -1.18 0.00 0.00 61.69 59.61 1ne3 s THR 67 Cb -0.28 -1.92 0.68 0.00 1.34 0.00 0.00 72.50 72.32 1ne3 s THR 67 CO 0.35 0.21 1.80 -0.81 -0.54 0.00 0.00 174.62 175.64