#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 0.00 6.12 5.19 -2.05 -3.47 116.42 122.21 1ne3 h ASP 2 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ne3 h ASP 2 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ne3 h ASP 2 CO 0.00 0.53 0.00 0.47 -3.12 0.00 0.00 179.24 177.12 1ne3 n ASP 3 N -3.00 0.00 -4.90 6.45 8.00 -1.26 -4.74 116.55 117.10 1ne3 n ASP 3 Ca -0.05 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.12 1ne3 n ASP 3 Cb 0.79 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.85 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 0.00 3.93 0.02 2.24 0.00 -1.26 -4.57 121.76 122.12 1ne3 s ALA 4 Ca 0.00 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 1ne3 s ALA 4 Cb 0.00 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1ne3 s ALA 4 CO 0.00 0.74 0.27 -0.08 0.00 0.00 0.00 175.76 176.69 1ne3 s THR 5 N -1.41 5.30 0.13 0.00 -1.32 -0.82 -4.78 115.64 112.73 1ne3 s THR 5 Ca 0.31 0.13 -0.30 0.00 -1.21 0.00 0.00 61.69 60.62 1ne3 s THR 5 Cb -0.13 -3.57 -0.07 0.00 -1.51 0.00 0.00 72.50 67.22 1ne3 s THR 5 CO 0.21 0.33 1.14 -2.16 -2.21 0.00 0.00 174.62 171.93 1ne3 s PRO 6 N -1.86 4.52 0.07 7.08 0.04 -1.26 -2.04 135.00 141.56 1ne3 s PRO 6 Ca 0.29 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 1ne3 s PRO 6 Cb -0.13 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.12 1ne3 s PRO 6 CO 0.17 -0.07 0.34 0.00 0.04 0.00 0.00 177.00 177.48 1ne3 s ALA 7 N 0.32 -0.76 -0.10 8.56 0.00 -0.97 -3.22 121.76 125.60 1ne3 s ALA 7 Ca 0.53 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1ne3 s ALA 7 Cb -0.29 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1ne3 s ALA 7 CO 0.33 -0.50 -0.19 -1.21 0.00 0.00 0.00 175.76 174.18 1ne3 s GLU 8 N -3.04 3.00 0.16 0.00 2.02 -1.25 -0.61 118.70 118.98 1ne3 s GLU 8 Ca -0.02 -0.80 -0.33 0.00 0.02 0.00 0.00 54.97 53.84 1ne3 s GLU 8 Cb 0.01 -2.39 -0.15 0.00 0.10 0.00 0.00 34.13 31.69 1ne3 s GLU 8 CO -0.06 0.28 1.31 0.28 0.02 0.00 0.00 175.26 177.09 1ne3 n VAL 9 N 3.27 0.59 -0.04 2.63 0.31 0.36 -3.73 118.33 121.72 1ne3 n VAL 9 Ca -0.18 -0.15 -0.06 0.00 -0.01 0.00 0.00 64.34 63.95 1ne3 n VAL 9 Cb 0.53 -1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 32.36 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 2.06 0.43 -4.27 2.52 -6.64 -0.79 0.42 119.36 113.09 1ne3 n ILE 10 Ca 0.15 -0.16 -0.18 0.00 -1.77 0.00 0.00 62.75 60.79 1ne3 n ILE 10 Cb 0.25 -0.84 -0.13 0.00 -1.44 0.00 0.00 39.64 37.48 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 -2.15 0.77 -0.02 6.28 2.12 -0.65 -4.73 118.70 120.33 1ne3 s GLU 11 Ca -0.10 -0.65 0.06 0.00 0.36 0.00 0.00 54.97 54.64 1ne3 s GLU 11 Cb 0.03 -0.73 -0.02 0.00 0.26 0.00 0.00 34.13 33.68 1ne3 s GLU 11 CO 0.17 0.18 -0.21 0.54 -0.54 0.00 0.00 175.26 175.40 1ne3 s VAL 12 N -0.82 1.65 -0.38 3.70 0.11 -1.26 0.34 120.40 123.74 1ne3 s VAL 12 Ca -0.01 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 58.04 1ne3 s VAL 12 Cb -0.07 -1.37 0.03 0.00 -1.53 0.00 0.00 36.38 33.44 1ne3 s VAL 12 CO 0.01 0.47 0.21 -0.76 -3.33 0.00 0.00 175.10 171.70 1ne3 s LEU 13 N -0.49 4.76 -0.09 2.54 2.01 -1.12 -4.84 118.68 121.45 1ne3 s LEU 13 Ca 0.08 -1.01 -0.01 0.00 0.01 0.00 0.00 54.13 53.20 1ne3 s LEU 13 Cb -0.08 -2.03 0.03 0.00 0.01 0.00 0.00 46.19 44.12 1ne3 s LEU 13 CO -0.01 -0.40 -0.03 -0.54 1.01 0.00 0.00 176.35 176.39 1ne3 s LYS 14 N 1.56 1.00 -0.26 1.70 3.01 -1.26 -4.24 119.74 121.24 1ne3 s LYS 14 Ca 0.02 -0.06 -0.01 0.00 -1.01 0.00 0.00 55.97 54.91 1ne3 s LYS 14 Cb -0.19 -1.27 0.08 0.00 -1.01 0.00 0.00 37.83 35.44 1ne3 s LYS 14 CO 0.07 -0.30 0.03 0.50 0.51 0.00 0.00 175.35 176.16 1ne3 s ARG 15 N 1.86 1.00 0.31 1.68 3.52 -1.26 -5.07 118.95 120.99 1ne3 s ARG 15 Ca 0.05 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 1ne3 s ARG 15 Cb -0.13 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.99 1ne3 s ARG 15 CO -0.07 -0.77 0.00 2.41 -0.81 0.00 0.00 175.30 176.06 1ne3 n THR 16 N 4.82 -0.05 0.00 4.11 -1.04 -1.26 -4.77 114.28 116.08 1ne3 n THR 16 Ca -0.06 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1ne3 n THR 16 Cb 0.44 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 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 -3.62 -3.00 3.61 3.41 0.00 -1.26 -4.74 105.19 99.59 1ne3 n GLY 17 Ca -0.03 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1ne3 n GLY 17 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ne3 s MET 18 N 0.00 3.84 -0.37 1.61 1.00 -1.26 -4.88 119.30 119.24 1ne3 s MET 18 Ca 0.00 0.68 0.13 0.00 0.00 0.00 0.00 55.69 56.50 1ne3 s MET 18 Cb 0.00 -3.83 0.39 0.00 0.00 0.00 0.00 34.83 31.39 1ne3 s MET 18 CO 0.00 -1.11 0.96 0.25 0.00 0.00 0.00 175.02 175.12 1ne3 n THR 19 N 6.28 0.31 0.00 2.05 -2.24 -1.26 -5.05 114.28 114.37 1ne3 n THR 19 Ca 0.10 -3.15 0.00 0.00 -2.27 0.00 0.00 64.05 58.73 1ne3 n THR 19 Cb 0.48 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1ne3 n THR 19 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ne3 n GLY 20 N 0.04 -1.10 0.00 3.38 0.00 -1.26 -5.00 105.19 101.25 1ne3 n GLY 20 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -4.75 1.61 0.00 -1.26 -5.13 120.64 111.10 1ne3 n GLU 21 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.85 1ne3 n GLU 21 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.31 1ne3 n GLU 21 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1ne3 s VAL 22 N -0.75 2.54 -0.05 3.84 1.01 -1.26 -4.91 120.40 120.81 1ne3 s VAL 22 Ca 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 60.61 1ne3 s VAL 22 Cb 0.00 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1ne3 s VAL 22 CO 0.00 0.35 0.28 -0.32 0.00 0.00 0.00 175.10 175.41 1ne3 s MET 23 N -1.36 3.67 -0.01 2.72 1.75 -0.90 -4.82 119.30 120.34 1ne3 s MET 23 Ca 0.13 0.12 0.01 0.00 -1.25 0.00 0.00 55.69 54.70 1ne3 s MET 23 Cb -0.10 -3.18 -0.04 0.00 2.84 0.00 0.00 34.83 34.35 1ne3 s MET 23 CO 0.04 0.72 0.02 1.14 -0.65 0.00 0.00 175.02 176.29 1ne3 s GLN 24 N -1.17 2.88 0.07 4.11 -2.07 -1.26 0.18 119.66 122.40 1ne3 s GLN 24 Ca 0.21 -0.56 0.01 0.00 -1.82 0.00 0.00 55.36 53.20 1ne3 s GLN 24 Cb -0.14 -2.73 -0.04 0.00 -1.09 0.00 0.00 33.01 29.01 1ne3 s GLN 24 CO 0.10 0.64 -0.05 0.54 -1.32 0.00 0.00 175.29 175.20 1ne3 s VAL 25 N -1.10 0.47 -0.11 3.63 0.11 -1.15 -2.78 120.40 119.48 1ne3 s VAL 25 Ca 0.20 -1.84 -0.01 0.00 -2.93 0.00 0.00 61.98 57.40 1ne3 s VAL 25 Cb -0.12 -1.56 -0.03 0.00 -1.53 0.00 0.00 36.38 33.15 1ne3 s VAL 25 CO 0.10 -0.91 -0.07 -0.75 -3.33 0.00 0.00 175.10 170.15 1ne3 s LYS 26 N -3.76 3.16 0.03 1.54 2.20 1.05 -3.58 119.74 120.37 1ne3 s LYS 26 Ca 0.09 -0.56 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 1ne3 s LYS 26 Cb 0.06 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.65 1ne3 s LYS 26 CO -0.07 0.46 -0.05 0.00 -0.36 0.00 0.00 175.35 175.33 1ne3 s ARG 28 N -1.43 2.28 0.08 0.00 3.00 -1.24 -2.50 118.95 119.13 1ne3 s ARG 28 Ca -0.13 -0.84 -0.32 0.00 -1.00 0.00 0.00 55.73 53.44 1ne3 s ARG 28 Cb -0.10 -2.18 -0.11 0.00 0.00 0.00 0.00 34.95 32.57 1ne3 s ARG 28 CO -0.00 0.58 1.85 -0.89 0.00 0.00 0.00 175.30 176.83 1ne3 n ILE 29 N 2.41 0.44 0.05 4.11 5.41 0.54 -3.84 119.36 128.49 1ne3 n ILE 29 Ca -0.17 -0.08 -0.01 0.00 1.00 0.00 0.00 62.75 63.50 1ne3 n ILE 29 Cb 0.51 -2.07 -0.07 0.00 -0.71 0.00 0.00 39.64 37.30 1ne3 n ILE 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ne3 h LEU 30 N 8.80 0.00 -7.15 1.39 3.38 -1.87 -2.85 115.31 117.01 1ne3 h LEU 30 Ca -0.47 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.57 1ne3 h LEU 30 Cb 1.24 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.86 1ne3 h LEU 30 CO 0.94 0.62 0.39 -1.81 0.09 0.00 0.00 178.44 178.67 1ne3 s ASP 31 N -5.97 -0.40 0.00 -0.43 1.11 -1.24 -4.89 116.67 104.86 1ne3 s ASP 31 Ca -0.02 -0.09 0.00 0.00 0.18 0.00 0.00 52.55 52.62 1ne3 s ASP 31 Cb 0.08 0.49 0.00 0.00 1.07 0.00 0.00 42.92 44.56 1ne3 s ASP 31 CO 0.80 -0.81 0.00 0.61 1.18 0.00 0.00 175.17 176.95 1ne3 n GLY 32 N -0.33 0.89 0.08 0.21 0.00 -1.26 -4.57 105.19 100.21 1ne3 n GLY 32 Ca -0.11 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 1ne3 n GLY 32 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ne3 h ARG 33 N 3.31 0.11 0.00 1.61 -0.00 -2.03 -3.36 114.38 114.02 1ne3 h ARG 33 Ca 0.00 -0.18 -0.04 0.00 -0.50 0.00 0.00 59.98 59.26 1ne3 h ARG 33 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 1ne3 h ARG 33 CO 0.00 1.05 -0.27 -0.44 0.00 0.00 0.00 179.97 180.31 1ne3 h ASP 34 N 0.03 0.00 -4.16 7.04 5.19 -2.02 -3.51 116.42 118.99 1ne3 h ASP 34 Ca -0.08 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 1ne3 h ASP 34 Cb 1.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.38 1ne3 h ASP 34 CO 0.15 0.89 -0.96 1.17 -3.12 0.00 0.00 179.24 177.37 1ne3 n LYS 35 N -4.64 -5.10 -0.53 3.56 4.81 -1.26 -4.58 118.16 110.42 1ne3 n LYS 35 Ca -0.10 3.72 0.00 0.00 -0.87 0.00 0.00 58.31 61.06 1ne3 n LYS 35 Cb 0.33 -4.14 0.00 0.00 0.02 0.00 0.00 35.03 31.24 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 0.13 1.56 3.69 3.14 0.00 -1.08 -4.96 105.19 107.67 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 -0.09 4.22 -0.14 1.61 3.52 -1.26 -4.52 118.95 122.30 1ne3 s ARG 37 Ca 0.00 2.23 0.01 0.00 -0.13 0.00 0.00 55.73 57.84 1ne3 s ARG 37 Cb 0.00 -3.55 -0.00 0.00 -1.56 0.00 0.00 34.95 29.84 1ne3 s ARG 37 CO 0.00 -0.67 -0.17 0.42 -0.81 0.00 0.00 175.30 174.07 1ne3 s ILE 38 N 2.43 2.58 0.05 4.11 1.01 -1.26 0.20 121.20 130.32 1ne3 s ILE 38 Ca 0.71 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 60.59 1ne3 s ILE 38 Cb -0.38 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1ne3 s ILE 38 CO 0.31 0.53 -0.13 -0.76 0.00 0.00 0.00 174.94 174.89 1ne3 s LEU 39 N 0.63 2.23 -0.09 2.97 1.02 -1.04 -5.02 118.68 119.37 1ne3 s LEU 39 Ca -0.09 -0.53 0.02 0.00 0.02 0.00 0.00 54.13 53.55 1ne3 s LEU 39 Cb -0.16 -0.48 -0.02 0.00 0.02 0.00 0.00 46.19 45.56 1ne3 s LEU 39 CO 0.03 -0.05 -0.16 -0.89 0.02 0.00 0.00 176.35 175.29 1ne3 s THR 40 N -1.10 2.81 0.03 5.49 2.01 -1.26 -3.41 115.64 120.21 1ne3 s THR 40 Ca -0.02 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 1ne3 s THR 40 Cb -0.09 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 1ne3 s THR 40 CO 0.02 0.55 0.09 -0.13 -0.69 0.00 0.00 174.62 174.45 1ne3 s ARG 41 N -0.03 0.56 -0.24 4.92 3.00 -1.23 -5.04 118.95 120.89 1ne3 s ARG 41 Ca -0.04 -0.74 -0.22 0.00 0.00 0.00 0.00 55.73 54.73 1ne3 s ARG 41 Cb -0.14 0.22 -0.01 0.00 0.00 0.00 0.00 34.95 35.01 1ne3 s ARG 41 CO 0.04 -0.14 0.70 -0.80 0.00 0.00 0.00 175.30 175.11 1ne3 s ASN 42 N -2.07 6.68 -0.05 0.23 0.01 -1.26 -2.91 114.94 115.57 1ne3 s ASN 42 Ca -0.06 0.84 0.02 0.00 -0.71 0.00 0.00 52.86 52.96 1ne3 s ASN 42 Cb -0.02 -2.37 0.01 0.00 0.41 0.00 0.00 41.25 39.28 1ne3 s ASN 42 CO -0.04 -0.41 -0.11 0.54 -1.51 0.00 0.00 177.10 175.56 1ne3 s VAL 43 N 2.57 0.99 0.08 1.60 0.11 0.49 -4.90 120.40 121.34 1ne3 s VAL 43 Ca 0.30 -0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 1ne3 s VAL 43 Cb -0.15 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.74 1ne3 s VAL 43 CO 0.08 0.31 0.95 0.00 -3.33 0.00 0.00 175.10 173.12 1ne3 s MET 44 N 0.47 4.66 0.00 1.54 0.23 -1.26 -2.13 119.30 122.81 1ne3 s MET 44 Ca -0.09 1.42 0.00 0.00 -1.03 0.00 0.00 55.69 55.99 1ne3 s MET 44 Cb -0.13 -3.40 0.00 0.00 -1.53 0.00 0.00 34.83 29.78 1ne3 s MET 44 CO 0.02 0.16 0.00 0.41 -2.03 0.00 0.00 175.02 173.58 1ne3 n GLY 45 N 2.40 3.31 3.56 3.16 0.00 -1.26 -4.95 105.19 111.41 1ne3 n GLY 45 Ca 0.03 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.32 3.07 -0.12 1.61 0.04 -1.26 -4.78 135.00 130.24 1ne3 s PRO 46 Ca 0.00 -0.62 0.01 0.00 0.04 0.00 0.00 61.00 60.43 1ne3 s PRO 46 Cb 0.00 -5.11 0.02 0.00 0.04 0.00 0.00 34.50 29.45 1ne3 s PRO 46 CO 0.00 -2.74 -0.14 -1.50 0.04 0.00 0.00 177.00 172.67 1ne3 s ILE 47 N 7.44 1.42 0.23 0.56 2.07 -1.26 -5.13 121.20 126.54 1ne3 s ILE 47 Ca 0.57 -0.57 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 1ne3 s ILE 47 Cb -0.04 -1.33 -0.05 0.00 0.13 0.00 0.00 42.46 41.17 1ne3 s ILE 47 CO -0.03 0.43 -0.06 0.00 -1.91 0.00 0.00 174.94 173.37 1ne3 s ARG 48 N 1.22 1.36 0.09 3.50 3.03 -1.26 -4.85 118.95 122.04 1ne3 s ARG 48 Ca -0.02 -1.66 -0.24 0.00 2.03 0.00 0.00 55.73 55.84 1ne3 s ARG 48 Cb -0.14 -0.88 -0.13 0.00 -1.03 0.00 0.00 34.95 32.77 1ne3 s ARG 48 CO -0.05 0.02 0.53 -0.85 -1.13 0.00 0.00 175.30 173.82 1ne3 n GLU 49 N -0.43 0.00 0.00 3.89 0.28 -1.26 -2.53 120.64 120.59 1ne3 n GLU 49 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1ne3 n GLU 49 Cb 0.63 -0.87 0.00 0.00 1.43 0.00 0.00 31.44 32.63 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 1.32 2.17 3.24 -1.84 0.00 0.17 -4.92 105.19 105.33 1ne3 n GLY 50 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.99 -4.11 1.61 9.92 -1.05 -4.58 116.55 117.35 1ne3 n ASP 51 Ca 0.00 -1.25 -0.29 0.00 -0.53 0.00 0.00 54.79 52.73 1ne3 n ASP 51 Cb 0.00 -0.89 -0.17 0.00 -0.64 0.00 0.00 41.12 39.42 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 -3.14 1.60 0.22 0.53 1.01 -1.26 0.14 121.20 120.30 1ne3 s ILE 52 Ca 0.64 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.62 1ne3 s ILE 52 Cb -0.04 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 1ne3 s ILE 52 CO 0.47 0.46 -0.11 -0.76 0.00 0.00 0.00 174.94 175.00 1ne3 s LEU 53 N 0.60 2.51 -0.12 2.97 1.43 0.22 -4.92 118.68 121.37 1ne3 s LEU 53 Ca -0.15 -1.07 -0.04 0.00 -1.03 0.00 0.00 54.13 51.85 1ne3 s LEU 53 Cb -0.17 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 1ne3 s LEU 53 CO 0.05 -0.24 0.01 -0.04 0.23 0.00 0.00 176.35 176.35 1ne3 s MET 54 N -3.69 3.35 -0.41 1.70 -1.94 -1.26 -2.29 119.30 114.76 1ne3 s MET 54 Ca 0.24 -0.41 -0.13 0.00 -1.71 0.00 0.00 55.69 53.68 1ne3 s MET 54 Cb 0.01 -2.92 0.04 0.00 2.01 0.00 0.00 34.83 33.97 1ne3 s MET 54 CO 0.07 0.52 0.29 -0.51 -0.01 0.00 0.00 175.02 175.38 1ne3 s LEU 55 N -0.36 5.11 -0.13 -0.03 2.01 -0.86 -4.87 118.68 119.54 1ne3 s LEU 55 Ca 0.07 -1.09 -0.05 0.00 0.01 0.00 0.00 54.13 53.07 1ne3 s LEU 55 Cb -0.12 -2.10 -0.04 0.00 0.01 0.00 0.00 46.19 43.94 1ne3 s LEU 55 CO 0.02 -0.48 0.04 -0.22 1.01 0.00 0.00 176.35 176.72 1ne3 s LEU 56 N 1.60 3.77 0.00 1.79 1.98 -1.26 -1.95 118.68 124.61 1ne3 s LEU 56 Ca 0.04 0.15 -0.33 0.00 -2.89 0.00 0.00 54.13 51.10 1ne3 s LEU 56 Cb -0.21 -1.91 -0.11 0.00 0.66 0.00 0.00 46.19 44.62 1ne3 s LEU 56 CO 0.07 0.30 1.84 -0.90 -1.89 0.00 0.00 176.35 175.77 1ne3 n ASP 57 N 2.72 3.61 -4.74 3.68 5.75 -1.26 -4.93 116.55 121.37 1ne3 n ASP 57 Ca -0.18 0.98 -0.38 0.00 -0.01 0.00 0.00 54.79 55.20 1ne3 n ASP 57 Cb 0.53 -1.43 -0.06 0.00 -1.03 0.00 0.00 41.12 39.13 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 3.45 5.12 -0.09 2.12 -1.32 -1.26 -5.06 115.64 118.59 1ne3 s THR 58 Ca 0.88 1.04 -0.16 0.00 -1.21 0.00 0.00 61.69 62.24 1ne3 s THR 58 Cb -0.61 -3.85 -0.05 0.00 -1.51 0.00 0.00 72.50 66.48 1ne3 s THR 58 CO 0.46 0.35 0.41 -0.51 -2.21 0.00 0.00 174.62 173.12 1ne3 s ILE 59 N 0.40 5.17 -0.10 5.08 1.10 -1.26 -5.06 121.20 126.53 1ne3 s ILE 59 Ca 0.28 0.82 -0.20 0.00 -0.51 0.00 0.00 60.65 61.03 1ne3 s ILE 59 Cb -0.16 -3.74 -0.04 0.00 0.15 0.00 0.00 42.46 38.67 1ne3 s ILE 59 CO 0.12 0.42 0.57 -0.60 -2.11 0.00 0.00 174.94 173.33 1ne3 s ARG 60 N 0.09 4.37 0.18 3.50 3.00 -1.26 -5.06 118.95 123.76 1ne3 s ARG 60 Ca 0.23 0.61 -0.11 0.00 -1.00 0.00 0.00 55.73 55.47 1ne3 s ARG 60 Cb -0.15 -3.45 -0.07 0.00 0.00 0.00 0.00 34.95 31.28 1ne3 s ARG 60 CO 0.09 0.10 0.51 -1.83 0.00 0.00 0.00 175.30 174.18 1ne3 s GLU 61 N 0.77 3.83 -0.04 5.12 1.03 -1.26 -5.07 118.70 123.09 1ne3 s GLU 61 Ca 0.30 0.30 -0.15 0.00 0.03 0.00 0.00 54.97 55.45 1ne3 s GLU 61 Cb -0.16 -2.80 -0.05 0.00 -0.80 0.00 0.00 34.13 30.32 1ne3 s GLU 61 CO 0.13 0.41 0.41 0.00 -1.33 0.00 0.00 175.26 174.88 1ne3 s ALA 62 N -1.64 3.65 -0.18 -0.84 0.00 -1.26 -5.06 121.76 116.42 1ne3 s ALA 62 Ca 0.42 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.00 1ne3 s ALA 62 Cb -0.13 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 1ne3 s ALA 62 CO 0.20 0.35 0.33 0.21 0.00 0.00 0.00 175.76 176.85 1ne3 s LYS 63 N -0.60 4.21 -0.11 0.00 2.47 -1.26 -5.07 119.74 119.38 1ne3 s LYS 63 Ca 0.23 0.11 -0.05 0.00 -1.56 0.00 0.00 55.97 54.71 1ne3 s LYS 63 Cb -0.16 -3.49 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 1ne3 s LYS 63 CO 0.12 0.10 0.07 -2.00 0.16 0.00 0.00 175.35 173.80 1ne3 s GLU 64 N 0.89 3.27 -0.17 4.03 2.12 -1.26 -5.09 118.70 122.49 1ne3 s GLU 64 Ca 0.17 -0.27 -0.11 0.00 0.36 0.00 0.00 54.97 55.12 1ne3 s GLU 64 Cb -0.14 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.19 1ne3 s GLU 64 CO 0.06 0.71 0.20 0.96 -0.54 0.00 0.00 175.26 176.65 1ne3 s ILE 65 N -0.88 5.37 -0.25 -3.70 -4.36 -1.26 -5.07 121.20 111.05 1ne3 s ILE 65 Ca 0.13 0.35 -0.07 0.00 -0.26 0.00 0.00 60.65 60.81 1ne3 s ILE 65 Cb -0.12 -3.53 -0.02 0.00 1.25 0.00 0.00 42.46 40.04 1ne3 s ILE 65 CO 0.03 0.45 0.05 -0.13 0.24 0.00 0.00 174.94 175.58 1ne3 s ARG 66 N 0.17 3.55 0.03 0.37 0.52 -1.26 -5.10 118.95 117.24 1ne3 s ARG 66 Ca 0.13 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 1ne3 s ARG 66 Cb -0.12 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 1ne3 s ARG 66 CO 0.01 -0.22 0.12 0.95 0.02 0.00 0.00 175.30 176.18 1ne3 s THR 67 N 1.58 4.90 -2.00 0.02 -4.23 -1.26 -5.37 115.64 109.28 1ne3 s THR 67 Ca 0.06 -0.46 0.24 0.00 -1.18 0.00 0.00 61.69 60.35 1ne3 s THR 67 Cb -0.15 -3.30 0.68 0.00 1.34 0.00 0.00 72.50 71.07 1ne3 s THR 67 CO 0.02 0.25 1.80 -0.81 -0.54 0.00 0.00 174.62 175.35