#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 1.12 0.13 6.12 9.92 -1.26 -4.33 116.55 128.24 1ne3 n ASP 2 Ca 0.00 0.29 -0.12 0.00 -0.53 0.00 0.00 54.79 54.44 1ne3 n ASP 2 Cb 0.00 -0.14 -0.07 0.00 -0.64 0.00 0.00 41.12 40.26 1ne3 n ASP 2 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1ne3 h ASP 3 N 0.02 -0.32 -3.23 -2.24 2.03 -2.06 -3.44 116.42 107.18 1ne3 h ASP 3 Ca -0.36 -0.21 -0.66 0.00 -0.73 0.00 0.00 57.03 55.07 1ne3 h ASP 3 Cb 2.04 0.08 -0.12 0.00 -0.83 0.00 0.00 39.33 40.51 1ne3 h ASP 3 CO 0.07 0.13 -0.61 0.00 -1.03 0.00 0.00 179.24 177.80 1ne3 s ALA 4 N -4.23 3.44 -0.05 4.15 0.00 -1.26 -4.44 121.76 119.36 1ne3 s ALA 4 Ca -0.13 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 1ne3 s ALA 4 Cb 0.01 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 1ne3 s ALA 4 CO 0.47 0.68 0.23 0.99 0.00 0.00 0.00 175.76 178.13 1ne3 s THR 5 N -1.16 5.35 0.01 0.00 2.01 -0.35 -3.88 115.64 117.60 1ne3 s THR 5 Ca 0.22 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 1ne3 s THR 5 Cb -0.12 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1ne3 s THR 5 CO 0.13 0.53 1.19 -2.16 -0.69 0.00 0.00 174.62 173.62 1ne3 s PRO 6 N -1.28 4.40 0.05 4.92 0.04 -1.26 -0.65 135.00 141.22 1ne3 s PRO 6 Ca 0.21 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 62.89 1ne3 s PRO 6 Cb -0.13 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 1ne3 s PRO 6 CO 0.10 -0.33 0.14 0.00 0.04 0.00 0.00 177.00 176.95 1ne3 s ALA 7 N 1.60 -0.16 -0.15 8.56 0.00 -0.77 -3.59 121.76 127.25 1ne3 s ALA 7 Ca 0.57 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1ne3 s ALA 7 Cb -0.27 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1ne3 s ALA 7 CO 0.26 -0.38 -0.02 -1.21 0.00 0.00 0.00 175.76 174.41 1ne3 s GLU 8 N -2.98 3.63 0.24 0.00 2.02 -1.24 -0.89 118.70 119.47 1ne3 s GLU 8 Ca -0.02 -0.48 -0.31 0.00 0.02 0.00 0.00 54.97 54.18 1ne3 s GLU 8 Cb 0.01 -2.94 -0.13 0.00 0.10 0.00 0.00 34.13 31.16 1ne3 s GLU 8 CO -0.06 0.31 1.39 0.28 0.02 0.00 0.00 175.26 177.19 1ne3 n VAL 9 N 3.34 1.00 -0.04 2.63 0.31 0.40 -3.48 118.33 122.50 1ne3 n VAL 9 Ca -0.17 -0.25 -0.05 0.00 -0.01 0.00 0.00 64.34 63.85 1ne3 n VAL 9 Cb 0.53 -1.44 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 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 1.80 0.43 -4.18 2.52 -6.64 -0.76 0.13 119.36 112.66 1ne3 n ILE 10 Ca 0.11 -0.16 -0.16 0.00 -1.77 0.00 0.00 62.75 60.77 1ne3 n ILE 10 Cb 0.31 -0.77 -0.14 0.00 -1.44 0.00 0.00 39.64 37.59 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 0.46 -0.07 6.28 2.12 -0.43 -4.72 118.70 120.19 1ne3 s GLU 11 Ca -0.10 -0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.06 1ne3 s GLU 11 Cb 0.03 -0.44 -0.00 0.00 0.26 0.00 0.00 34.13 33.98 1ne3 s GLU 11 CO 0.17 0.12 -0.21 0.54 -0.54 0.00 0.00 175.26 175.34 1ne3 s VAL 12 N -0.15 1.78 -0.36 3.70 0.11 -1.26 0.40 120.40 124.62 1ne3 s VAL 12 Ca 0.02 -0.88 -0.08 0.00 -2.93 0.00 0.00 61.98 58.11 1ne3 s VAL 12 Cb -0.02 -1.54 0.04 0.00 -1.53 0.00 0.00 36.38 33.33 1ne3 s VAL 12 CO -0.00 0.50 0.15 -0.76 -3.33 0.00 0.00 175.10 171.66 1ne3 s LEU 13 N 0.21 4.57 0.05 2.54 2.01 -0.86 -4.86 118.68 122.34 1ne3 s LEU 13 Ca -0.11 -1.19 0.04 0.00 0.01 0.00 0.00 54.13 52.88 1ne3 s LEU 13 Cb -0.15 -1.92 -0.02 0.00 0.01 0.00 0.00 46.19 44.10 1ne3 s LEU 13 CO 0.05 -0.38 -0.12 -1.59 1.01 0.00 0.00 176.35 175.33 1ne3 s LYS 14 N 1.43 0.72 -0.02 1.70 -2.85 -1.26 -2.71 119.74 116.76 1ne3 s LYS 14 Ca 0.00 -0.81 0.03 0.00 -1.00 0.00 0.00 55.97 54.19 1ne3 s LYS 14 Cb -0.20 -0.65 -0.00 0.00 -2.06 0.00 0.00 37.83 34.92 1ne3 s LYS 14 CO 0.03 0.14 -0.12 1.03 0.10 0.00 0.00 175.35 176.54 1ne3 s ARG 15 N -1.50 1.13 -0.12 1.78 0.52 -1.26 -5.05 118.95 114.45 1ne3 s ARG 15 Ca -0.04 -0.41 -0.12 0.00 -0.52 0.00 0.00 55.73 54.64 1ne3 s ARG 15 Cb -0.09 -1.05 -0.11 0.00 0.52 0.00 0.00 34.95 34.22 1ne3 s ARG 15 CO 0.01 0.19 0.29 1.15 0.02 0.00 0.00 175.30 176.96 1ne3 h THR 16 N 5.17 0.72 -2.51 0.02 2.02 -2.01 -3.47 112.91 112.84 1ne3 h THR 16 Ca -0.33 -1.56 -0.58 0.00 0.77 0.00 0.00 66.41 64.71 1ne3 h THR 16 Cb 1.17 1.38 0.19 0.00 -1.74 0.00 0.00 68.15 69.15 1ne3 h THR 16 CO 0.49 0.24 -0.90 0.61 0.37 0.00 0.00 175.52 176.33 1ne3 n GLY 17 N 1.69 -2.63 1.45 2.16 0.00 -1.26 -4.65 105.19 101.95 1ne3 n GLY 17 Ca -0.06 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1ne3 n GLY 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ne3 n MET 18 N 0.74 -3.47 0.08 1.61 2.00 -1.26 -4.56 117.12 112.26 1ne3 n MET 18 Ca 0.08 2.81 -0.16 0.00 0.00 0.00 0.00 57.70 60.43 1ne3 n MET 18 Cb 0.49 -3.89 -0.10 0.00 0.00 0.00 0.00 33.22 29.72 1ne3 n MET 18 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1ne3 h THR 19 N -1.11 0.00 0.00 2.03 2.02 -1.96 -3.45 112.91 110.44 1ne3 h THR 19 Ca -0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1ne3 h THR 19 Cb 1.29 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1ne3 h THR 19 CO 0.06 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.56 1ne3 n GLY 20 N -1.47 2.14 5.00 2.16 0.00 -1.26 -4.86 105.19 106.89 1ne3 n GLY 20 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.00 -4.39 1.61 2.13 -1.26 -4.71 120.64 114.03 1ne3 n GLU 21 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 1ne3 n GLU 21 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 1ne3 n GLU 21 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ne3 s VAL 22 N 0.00 3.95 0.26 6.31 1.01 -1.26 -4.59 120.40 126.07 1ne3 s VAL 22 Ca 0.00 -0.34 0.11 0.00 0.00 0.00 0.00 61.98 61.75 1ne3 s VAL 22 Cb 0.00 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1ne3 s VAL 22 CO 0.00 0.50 -0.11 0.00 0.00 0.00 0.00 175.10 175.49 1ne3 s MET 23 N 0.32 1.97 0.23 2.72 0.23 -1.06 -4.88 119.30 118.83 1ne3 s MET 23 Ca -0.03 -1.57 0.07 0.00 -1.03 0.00 0.00 55.69 53.13 1ne3 s MET 23 Cb -0.14 -1.97 -0.04 0.00 -1.53 0.00 0.00 34.83 31.15 1ne3 s MET 23 CO 0.03 0.36 0.20 1.14 -2.03 0.00 0.00 175.02 174.71 1ne3 s GLN 24 N -3.48 2.96 0.04 3.16 -2.07 -1.10 0.19 119.66 119.36 1ne3 s GLN 24 Ca 0.30 -1.00 -0.01 0.00 -1.82 0.00 0.00 55.36 52.83 1ne3 s GLN 24 Cb -0.06 -2.60 -0.03 0.00 -1.09 0.00 0.00 33.01 29.22 1ne3 s GLN 24 CO 0.17 0.42 -0.03 0.54 -1.32 0.00 0.00 175.29 175.07 1ne3 s VAL 25 N -2.05 0.19 -0.10 3.63 0.11 -0.98 -2.02 120.40 119.18 1ne3 s VAL 25 Ca 0.33 -1.56 0.03 0.00 -2.93 0.00 0.00 61.98 57.84 1ne3 s VAL 25 Cb -0.08 -1.17 -0.01 0.00 -1.53 0.00 0.00 36.38 33.58 1ne3 s VAL 25 CO 0.25 -0.86 -0.18 -0.75 -3.33 0.00 0.00 175.10 170.23 1ne3 s LYS 26 N -3.25 3.02 0.01 1.54 2.20 1.33 -3.34 119.74 121.25 1ne3 s LYS 26 Ca 0.01 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 1ne3 s LYS 26 Cb 0.03 -2.42 -0.01 0.00 -1.51 0.00 0.00 37.83 33.92 1ne3 s LYS 26 CO -0.08 0.29 -0.03 0.00 -0.36 0.00 0.00 175.35 175.18 1ne3 s ARG 28 N -0.92 2.88 0.40 0.00 3.52 -1.23 -2.32 118.95 121.29 1ne3 s ARG 28 Ca -0.09 -0.57 -0.27 0.00 -0.13 0.00 0.00 55.73 54.67 1ne3 s ARG 28 Cb -0.06 -2.61 -0.11 0.00 -1.56 0.00 0.00 34.95 30.62 1ne3 s ARG 28 CO -0.00 0.57 1.34 -0.89 -0.81 0.00 0.00 175.30 175.51 1ne3 n ILE 29 N 2.50 2.33 0.28 4.11 5.41 0.58 -3.72 119.36 130.85 1ne3 n ILE 29 Ca -0.18 -0.50 0.05 0.00 1.00 0.00 0.00 62.75 63.12 1ne3 n ILE 29 Cb 0.53 -1.69 -0.06 0.00 -0.71 0.00 0.00 39.64 37.71 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 0.35 0.28 -3.53 1.39 4.77 -1.24 -2.64 117.00 116.39 1ne3 n LEU 30 Ca 0.05 -0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 55.59 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 0.61 0.07 0.58 -1.81 -1.33 0.00 0.00 177.39 175.51 1ne3 s ASP 31 N -2.41 -0.52 0.00 -1.43 1.01 -1.26 -4.89 116.67 107.18 1ne3 s ASP 31 Ca 0.01 0.46 0.00 0.00 0.71 0.00 0.00 52.55 53.73 1ne3 s ASP 31 Cb 0.07 0.45 0.00 0.00 1.01 0.00 0.00 42.92 44.45 1ne3 s ASP 31 CO 0.41 -0.55 0.00 0.61 0.21 0.00 0.00 175.17 175.85 1ne3 n GLY 32 N 0.60 1.64 0.24 0.21 0.00 -1.26 -4.59 105.19 102.03 1ne3 n GLY 32 Ca -0.15 -2.06 0.10 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.55 1.61 1.12 -2.04 -1.03 114.38 113.49 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 0.20 0.00 -0.25 -3.11 0.00 0.00 179.97 176.81 1ne3 n ASP 34 N -3.73 5.22 -1.46 -3.80 8.00 -1.26 -5.01 116.55 114.52 1ne3 n ASP 34 Ca -0.02 -2.81 -0.21 0.00 0.71 0.00 0.00 54.79 52.47 1ne3 n ASP 34 Cb 0.31 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.74 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 0.59 0.00 -0.01 -1.24 4.81 -0.39 0.13 118.16 122.06 1ne3 n LYS 35 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1ne3 n LYS 35 Cb 1.07 -0.46 0.00 0.00 0.02 0.00 0.00 35.03 35.66 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 1.09 0.17 3.73 3.14 0.00 -1.08 -4.99 105.19 107.25 1ne3 n GLY 36 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.96 4.12 -0.14 1.61 3.52 0.35 -4.21 118.95 123.24 1ne3 s ARG 37 Ca 0.00 2.61 -0.01 0.00 -0.13 0.00 0.00 55.73 58.20 1ne3 s ARG 37 Cb 0.00 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 1ne3 s ARG 37 CO 0.00 -0.73 -0.12 0.42 -0.81 0.00 0.00 175.30 174.06 1ne3 s ILE 38 N 0.88 3.14 0.03 4.11 1.09 -1.26 0.21 121.20 129.41 1ne3 s ILE 38 Ca 0.72 -0.63 0.05 0.00 -1.10 0.00 0.00 60.65 59.69 1ne3 s ILE 38 Cb -0.49 -2.33 -0.02 0.00 -1.06 0.00 0.00 42.46 38.56 1ne3 s ILE 38 CO 0.36 0.52 -0.15 -0.76 -0.10 0.00 0.00 174.94 174.81 1ne3 s LEU 39 N 0.39 2.16 -0.07 2.97 2.01 -0.98 -5.01 118.68 120.14 1ne3 s LEU 39 Ca -0.10 -0.44 0.05 0.00 0.01 0.00 0.00 54.13 53.65 1ne3 s LEU 39 Cb -0.16 -0.66 -0.01 0.00 0.01 0.00 0.00 46.19 45.37 1ne3 s LEU 39 CO 0.05 0.06 -0.23 -0.89 1.01 0.00 0.00 176.35 176.35 1ne3 s THR 40 N -0.79 2.19 0.02 5.49 2.01 -1.26 -3.28 115.64 120.02 1ne3 s THR 40 Ca 0.03 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 1ne3 s THR 40 Cb -0.08 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 1ne3 s THR 40 CO 0.01 0.57 0.07 -0.13 -0.69 0.00 0.00 174.62 174.45 1ne3 s ARG 41 N -0.04 0.49 -0.23 4.92 3.00 -1.21 -5.00 118.95 120.87 1ne3 s ARG 41 Ca -0.07 -0.63 -0.23 0.00 0.00 0.00 0.00 55.73 54.80 1ne3 s ARG 41 Cb -0.15 0.19 -0.01 0.00 0.00 0.00 0.00 34.95 34.98 1ne3 s ARG 41 CO 0.05 -0.11 0.73 0.54 0.00 0.00 0.00 175.30 176.51 1ne3 s ASN 42 N -1.78 6.73 -0.02 0.23 2.20 -1.26 -2.32 114.94 118.72 1ne3 s ASN 42 Ca -0.10 0.90 0.00 0.00 -0.94 0.00 0.00 52.86 52.72 1ne3 s ASN 42 Cb -0.05 -2.39 0.02 0.00 -2.00 0.00 0.00 41.25 36.83 1ne3 s ASN 42 CO -0.02 -0.42 0.00 0.54 -2.94 0.00 0.00 177.10 174.26 1ne3 s VAL 43 N 2.52 0.12 -0.15 3.54 0.11 0.52 -4.92 120.40 122.13 1ne3 s VAL 43 Ca 0.31 0.07 -0.21 0.00 -2.93 0.00 0.00 61.98 59.22 1ne3 s VAL 43 Cb -0.16 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1ne3 s VAL 43 CO 0.09 0.11 0.64 -0.32 -3.33 0.00 0.00 175.10 172.29 1ne3 s MET 44 N 0.76 4.29 0.00 1.54 0.00 -1.26 -2.57 119.30 122.06 1ne3 s MET 44 Ca -0.07 0.69 0.00 0.00 0.00 0.00 0.00 55.69 56.31 1ne3 s MET 44 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 34.83 31.20 1ne3 s MET 44 CO -0.02 -0.12 0.00 0.41 0.00 0.00 0.00 175.02 175.30 1ne3 n GLY 45 N 3.53 4.11 3.57 2.11 0.00 -1.26 -4.98 105.19 112.27 1ne3 n GLY 45 Ca -0.02 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.76 3.14 -0.12 1.61 0.04 -1.26 -4.90 135.00 130.75 1ne3 s PRO 46 Ca 0.00 -0.99 0.01 0.00 0.04 0.00 0.00 61.00 60.06 1ne3 s PRO 46 Cb 0.00 -5.27 0.02 0.00 0.04 0.00 0.00 34.50 29.29 1ne3 s PRO 46 CO 0.00 -2.89 -0.13 -1.50 0.04 0.00 0.00 177.00 172.53 1ne3 s ILE 47 N 7.51 1.37 0.16 0.56 2.07 -1.26 -5.13 121.20 126.48 1ne3 s ILE 47 Ca 0.59 -0.53 0.06 0.00 -1.41 0.00 0.00 60.65 59.36 1ne3 s ILE 47 Cb -0.02 -1.30 -0.04 0.00 0.13 0.00 0.00 42.46 41.23 1ne3 s ILE 47 CO -0.00 0.42 -0.13 0.00 -1.91 0.00 0.00 174.94 173.32 1ne3 s ARG 48 N 1.35 1.15 0.26 3.50 3.03 -1.26 -4.94 118.95 122.03 1ne3 s ARG 48 Ca 0.00 -1.44 -0.25 0.00 2.03 0.00 0.00 55.73 56.07 1ne3 s ARG 48 Cb -0.14 -0.89 -0.16 0.00 -1.03 0.00 0.00 34.95 32.73 1ne3 s ARG 48 CO -0.06 0.15 0.36 -0.85 -1.13 0.00 0.00 175.30 173.76 1ne3 n GLU 49 N -0.06 0.00 0.00 3.89 0.28 -1.26 -2.54 120.64 120.95 1ne3 n GLU 49 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1ne3 n GLU 49 Cb 0.59 -0.96 0.00 0.00 1.43 0.00 0.00 31.44 32.50 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 2.03 2.88 3.74 -1.84 0.00 0.36 -4.90 105.19 107.45 1ne3 n GLY 50 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.41 1.97 -0.11 1.61 1.11 -1.05 -4.53 116.67 114.26 1ne3 s ASP 51 Ca 0.00 0.53 0.03 0.00 0.18 0.00 0.00 52.55 53.29 1ne3 s ASP 51 Cb 0.00 -0.73 0.00 0.00 1.07 0.00 0.00 42.92 43.26 1ne3 s ASP 51 CO 0.00 -3.46 -0.22 -0.63 1.18 0.00 0.00 175.17 172.04 1ne3 s ILE 52 N -3.36 1.95 0.08 0.77 1.01 -1.26 0.15 121.20 120.55 1ne3 s ILE 52 Ca 0.71 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1ne3 s ILE 52 Cb -0.08 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1ne3 s ILE 52 CO 0.55 0.53 -0.06 -0.76 0.00 0.00 0.00 174.94 175.20 1ne3 s LEU 53 N 0.53 2.46 -0.13 2.97 1.43 -0.07 -4.95 118.68 120.92 1ne3 s LEU 53 Ca -0.15 -0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 51.91 1ne3 s LEU 53 Cb -0.17 -0.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.95 1ne3 s LEU 53 CO 0.05 -0.44 0.25 -0.04 0.23 0.00 0.00 176.35 176.40 1ne3 s MET 54 N -3.45 4.00 -0.40 1.70 -1.94 -1.26 -1.85 119.30 116.10 1ne3 s MET 54 Ca 0.07 0.04 -0.15 0.00 -1.71 0.00 0.00 55.69 53.93 1ne3 s MET 54 Cb 0.03 -3.34 0.01 0.00 2.01 0.00 0.00 34.83 33.55 1ne3 s MET 54 CO -0.05 0.45 0.34 -0.51 -0.01 0.00 0.00 175.02 175.24 1ne3 s LEU 55 N -0.14 4.94 -0.10 -0.03 2.01 0.17 -4.82 118.68 120.71 1ne3 s LEU 55 Ca 0.16 -0.75 -0.04 0.00 0.01 0.00 0.00 54.13 53.50 1ne3 s LEU 55 Cb -0.13 -2.23 -0.04 0.00 0.01 0.00 0.00 46.19 43.80 1ne3 s LEU 55 CO 0.04 -0.46 0.07 -0.22 1.01 0.00 0.00 176.35 176.79 1ne3 s LEU 56 N 1.83 3.98 0.02 1.79 2.96 -1.26 -1.21 118.68 126.79 1ne3 s LEU 56 Ca 0.08 0.30 -0.33 0.00 -0.22 0.00 0.00 54.13 53.96 1ne3 s LEU 56 Cb -0.18 -1.94 -0.12 0.00 0.50 0.00 0.00 46.19 44.45 1ne3 s LEU 56 CO 0.11 0.39 1.83 0.47 -1.32 0.00 0.00 176.35 177.83 1ne3 n ASP 57 N 2.10 3.60 -4.73 3.68 9.92 -1.26 -4.90 116.55 124.96 1ne3 n ASP 57 Ca -0.19 0.99 -0.41 0.00 -0.53 0.00 0.00 54.79 54.64 1ne3 n ASP 57 Cb 0.54 -1.44 -0.03 0.00 -0.64 0.00 0.00 41.12 39.55 1ne3 n ASP 57 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1ne3 s THR 58 N 3.28 3.61 0.02 -3.53 -1.32 -1.26 -5.01 115.64 111.44 1ne3 s THR 58 Ca 0.88 1.27 -0.20 0.00 -1.21 0.00 0.00 61.69 62.43 1ne3 s THR 58 Cb -0.61 -3.81 -0.06 0.00 -1.51 0.00 0.00 72.50 66.50 1ne3 s THR 58 CO 0.45 0.17 0.59 -0.51 -2.21 0.00 0.00 174.62 173.10 1ne3 s ILE 59 N 0.35 4.84 0.20 5.08 2.07 -1.26 -5.07 121.20 127.42 1ne3 s ILE 59 Ca 0.56 1.24 -0.01 0.00 -1.41 0.00 0.00 60.65 61.03 1ne3 s ILE 59 Cb -0.33 -3.92 -0.04 0.00 0.13 0.00 0.00 42.46 38.29 1ne3 s ILE 59 CO 0.34 0.46 0.40 -0.13 -1.91 0.00 0.00 174.94 174.11 1ne3 s ARG 60 N -0.51 3.53 0.39 3.50 0.52 -1.26 -5.09 118.95 120.04 1ne3 s ARG 60 Ca 0.30 -0.30 -0.17 0.00 -0.52 0.00 0.00 55.73 55.05 1ne3 s ARG 60 Cb -0.19 -2.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.37 1ne3 s ARG 60 CO 0.18 0.39 0.84 -1.83 0.02 0.00 0.00 175.30 174.90 1ne3 s GLU 61 N -3.30 4.05 -0.08 3.54 1.03 -1.26 -5.05 118.70 117.63 1ne3 s GLU 61 Ca 0.39 0.83 -0.17 0.00 0.03 0.00 0.00 54.97 56.05 1ne3 s GLU 61 Cb -0.11 -2.31 -0.05 0.00 -0.80 0.00 0.00 34.13 30.86 1ne3 s GLU 61 CO 0.29 0.03 0.46 0.00 -1.33 0.00 0.00 175.26 174.71 1ne3 s ALA 62 N -2.16 3.53 -0.21 -0.84 0.00 -1.26 -5.06 121.76 115.76 1ne3 s ALA 62 Ca 0.57 -0.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.20 1ne3 s ALA 62 Cb -0.10 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1ne3 s ALA 62 CO 0.19 0.12 0.33 0.21 0.00 0.00 0.00 175.76 176.61 1ne3 s LYS 63 N 0.17 4.14 -0.12 0.00 2.47 -1.26 -5.07 119.74 120.07 1ne3 s LYS 63 Ca 0.25 0.06 -0.06 0.00 -1.56 0.00 0.00 55.97 54.66 1ne3 s LYS 63 Cb -0.16 -3.54 -0.04 0.00 -1.46 0.00 0.00 37.83 32.64 1ne3 s LYS 63 CO 0.11 -0.01 0.11 -2.00 0.16 0.00 0.00 175.35 173.72 1ne3 s GLU 64 N 1.25 3.41 -0.12 4.03 2.56 -1.26 -5.07 118.70 123.49 1ne3 s GLU 64 Ca 0.15 -0.20 -0.25 0.00 0.00 0.00 0.00 54.97 54.67 1ne3 s GLU 64 Cb -0.14 -3.12 -0.02 0.00 2.00 0.00 0.00 34.13 32.84 1ne3 s GLU 64 CO 0.07 0.72 0.82 0.96 -0.56 0.00 0.00 175.26 177.26 1ne3 s ILE 65 N -0.87 4.92 -0.28 -3.70 -4.36 -1.26 -5.02 121.20 110.64 1ne3 s ILE 65 Ca 0.14 1.64 -0.20 0.00 -0.26 0.00 0.00 60.65 61.96 1ne3 s ILE 65 Cb -0.12 -4.13 -0.02 0.00 1.25 0.00 0.00 42.46 39.44 1ne3 s ILE 65 CO 0.03 0.10 0.61 -0.60 0.24 0.00 0.00 174.94 175.33 1ne3 s ARG 66 N 1.65 4.01 0.23 0.37 3.00 -1.26 -5.05 118.95 121.90 1ne3 s ARG 66 Ca 0.40 0.40 -0.15 0.00 -1.00 0.00 0.00 55.73 55.38 1ne3 s ARG 66 Cb -0.17 -3.69 -0.08 0.00 0.00 0.00 0.00 34.95 31.01 1ne3 s ARG 66 CO 0.16 -0.47 0.64 0.95 0.00 0.00 0.00 175.30 176.58 1ne3 s THR 67 N 2.52 4.76 -2.00 4.11 -4.23 -1.26 -5.36 115.64 114.17 1ne3 s THR 67 Ca 0.25 0.88 0.24 0.00 -1.18 0.00 0.00 61.69 61.88 1ne3 s THR 67 Cb -0.15 -3.70 0.68 0.00 1.34 0.00 0.00 72.50 70.67 1ne3 s THR 67 CO 0.10 0.04 1.79 -0.81 -0.54 0.00 0.00 174.62 175.20