#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 0.41 -0.21 7.83 9.92 -1.26 -4.38 116.55 128.86 1ne3 n ASP 2 Ca 0.00 0.19 -0.13 0.00 -0.53 0.00 0.00 54.79 54.32 1ne3 n ASP 2 Cb 0.00 0.66 -0.10 0.00 -0.64 0.00 0.00 41.12 41.04 1ne3 n ASP 2 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1ne3 h ASP 3 N 0.00 -1.93 -3.77 -2.24 5.19 -2.06 -3.40 116.42 108.22 1ne3 h ASP 3 Ca -0.34 0.26 -0.68 0.00 -0.62 0.00 0.00 57.03 55.66 1ne3 h ASP 3 Cb 1.91 0.81 -0.19 0.00 0.18 0.00 0.00 39.33 42.03 1ne3 h ASP 3 CO 0.04 -0.36 -0.76 0.00 -3.12 0.00 0.00 179.24 175.04 1ne3 s ALA 4 N -5.62 2.79 -0.19 3.45 0.00 -1.26 -4.35 121.76 116.58 1ne3 s ALA 4 Ca -0.14 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.52 1ne3 s ALA 4 Cb 0.09 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1ne3 s ALA 4 CO 0.62 0.60 0.30 0.99 0.00 0.00 0.00 175.76 178.27 1ne3 s THR 5 N -1.01 5.28 -0.07 0.00 2.01 0.49 -4.75 115.64 117.59 1ne3 s THR 5 Ca 0.17 0.52 -0.30 0.00 0.31 0.00 0.00 61.69 62.39 1ne3 s THR 5 Cb -0.11 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1ne3 s THR 5 CO 0.08 0.33 1.23 -2.16 -0.69 0.00 0.00 174.62 173.40 1ne3 s PRO 6 N 0.92 4.32 0.07 4.92 0.04 -1.26 0.06 135.00 144.06 1ne3 s PRO 6 Ca 0.15 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 1ne3 s PRO 6 Cb -0.14 -3.60 -0.00 0.00 0.04 0.00 0.00 34.50 30.80 1ne3 s PRO 6 CO 0.05 -0.51 0.17 0.00 0.04 0.00 0.00 177.00 176.75 1ne3 s ALA 7 N 2.50 -0.21 -0.17 8.56 0.00 -1.07 -3.86 121.76 127.50 1ne3 s ALA 7 Ca 0.56 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 1ne3 s ALA 7 Cb -0.25 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 1ne3 s ALA 7 CO 0.21 -0.44 0.12 -1.21 0.00 0.00 0.00 175.76 174.44 1ne3 s GLU 8 N -3.35 3.89 0.15 0.00 0.41 -1.25 -1.18 118.70 117.36 1ne3 s GLU 8 Ca 0.01 -0.21 -0.34 0.00 -0.41 0.00 0.00 54.97 54.01 1ne3 s GLU 8 Cb 0.03 -3.30 -0.15 0.00 -1.78 0.00 0.00 34.13 28.92 1ne3 s GLU 8 CO -0.08 0.46 1.32 0.28 -0.49 0.00 0.00 175.26 176.74 1ne3 n VAL 9 N 3.00 0.46 -0.03 2.63 0.31 0.56 -3.74 118.33 121.51 1ne3 n VAL 9 Ca -0.17 -0.11 -0.05 0.00 -0.01 0.00 0.00 64.34 63.99 1ne3 n VAL 9 Cb 0.53 -1.01 -0.03 0.00 -0.91 0.00 0.00 33.84 32.42 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 2.18 0.40 -4.32 2.52 -6.64 -0.79 0.17 119.36 112.88 1ne3 n ILE 10 Ca 0.16 -0.15 -0.18 0.00 -1.77 0.00 0.00 62.75 60.80 1ne3 n ILE 10 Cb 0.24 -0.75 -0.14 0.00 -1.44 0.00 0.00 39.64 37.55 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 -2.14 0.78 -0.06 6.28 2.56 -0.46 -4.74 118.70 120.92 1ne3 s GLU 11 Ca -0.09 -0.55 0.04 0.00 0.00 0.00 0.00 54.97 54.37 1ne3 s GLU 11 Cb 0.02 -0.74 -0.00 0.00 2.00 0.00 0.00 34.13 35.41 1ne3 s GLU 11 CO 0.16 0.19 -0.19 0.54 -0.56 0.00 0.00 175.26 175.39 1ne3 s VAL 12 N -0.63 1.64 -0.32 3.70 0.11 -1.26 0.37 120.40 124.02 1ne3 s VAL 12 Ca 0.01 -0.82 -0.09 0.00 -2.93 0.00 0.00 61.98 58.15 1ne3 s VAL 12 Cb -0.06 -1.42 0.01 0.00 -1.53 0.00 0.00 36.38 33.38 1ne3 s VAL 12 CO 0.00 0.47 0.13 -0.76 -3.33 0.00 0.00 175.10 171.61 1ne3 s LEU 13 N 0.14 4.12 -0.17 2.54 1.02 -0.72 -4.85 118.68 120.76 1ne3 s LEU 13 Ca -0.08 -0.69 -0.01 0.00 0.02 0.00 0.00 54.13 53.37 1ne3 s LEU 13 Cb -0.14 -1.96 0.05 0.00 0.02 0.00 0.00 46.19 44.16 1ne3 s LEU 13 CO 0.04 -0.23 -0.01 -0.75 0.02 0.00 0.00 176.35 175.42 1ne3 s LYS 14 N 1.55 1.06 -0.13 1.70 2.47 -1.26 -3.62 119.74 121.51 1ne3 s LYS 14 Ca 0.03 -0.45 0.02 0.00 -1.56 0.00 0.00 55.97 54.02 1ne3 s LYS 14 Cb -0.18 -1.96 0.00 0.00 -1.46 0.00 0.00 37.83 34.24 1ne3 s LYS 14 CO 0.05 -0.51 -0.21 0.50 0.16 0.00 0.00 175.35 175.34 1ne3 s ARG 15 N 1.74 3.08 0.02 4.03 3.52 -1.26 -5.05 118.95 125.03 1ne3 s ARG 15 Ca 0.00 -0.83 -0.05 0.00 -0.13 0.00 0.00 55.73 54.71 1ne3 s ARG 15 Cb -0.16 -2.45 -0.02 0.00 -1.56 0.00 0.00 34.95 30.76 1ne3 s ARG 15 CO -0.07 0.05 1.09 1.15 -0.81 0.00 0.00 175.30 176.70 1ne3 h THR 16 N 5.75 0.00 0.00 4.11 2.02 -2.01 -3.44 112.91 119.34 1ne3 h THR 16 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1ne3 h THR 16 Cb 1.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1ne3 h THR 16 CO 0.54 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.04 1ne3 n GLY 17 N -1.08 1.59 2.65 2.16 0.00 -1.26 -4.63 105.19 104.63 1ne3 n GLY 17 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 13.10 0.02 -3.60 1.61 2.81 -1.26 -5.17 117.12 124.63 1ne3 n MET 18 Ca 0.00 -0.53 -0.03 0.00 -1.81 0.00 0.00 57.70 55.32 1ne3 n MET 18 Cb 0.00 -0.04 -0.02 0.00 -0.71 0.00 0.00 33.22 32.45 1ne3 n MET 18 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1ne3 s THR 19 N 0.02 0.00 0.00 2.03 -1.32 -1.26 -5.17 115.64 109.94 1ne3 s THR 19 Ca 0.25 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1ne3 s THR 19 Cb 0.21 -1.24 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1ne3 s THR 19 CO -0.07 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 1ne3 n GLY 20 N -0.19 -2.04 1.82 6.08 0.00 -1.26 -4.95 105.19 104.65 1ne3 n GLY 20 Ca -0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.04 0.00 -3.87 1.61 2.13 -1.26 -5.09 120.64 114.12 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 -0.09 -0.05 0.00 0.27 0.00 0.00 31.44 31.57 1ne3 n GLU 21 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1ne3 s VAL 22 N -2.00 5.42 0.53 6.31 -7.23 -1.26 -4.97 120.40 117.20 1ne3 s VAL 22 Ca 0.00 -0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.09 1ne3 s VAL 22 Cb 0.00 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.39 1ne3 s VAL 22 CO 0.00 0.39 0.87 0.00 -0.31 0.00 0.00 175.10 176.05 1ne3 s MET 23 N -1.71 3.51 -0.11 4.82 0.23 -0.82 -4.71 119.30 120.50 1ne3 s MET 23 Ca 0.25 0.35 -0.04 0.00 -1.03 0.00 0.00 55.69 55.22 1ne3 s MET 23 Cb -0.13 -2.28 -0.04 0.00 -1.53 0.00 0.00 34.83 30.86 1ne3 s MET 23 CO 0.15 -0.36 0.05 1.14 -2.03 0.00 0.00 175.02 173.97 1ne3 s GLN 24 N -4.90 3.31 0.18 3.16 -2.07 -1.24 -0.02 119.66 118.09 1ne3 s GLN 24 Ca 0.50 -0.33 0.08 0.00 -1.82 0.00 0.00 55.36 53.79 1ne3 s GLN 24 Cb -0.11 -2.97 -0.04 0.00 -1.09 0.00 0.00 33.01 28.80 1ne3 s GLN 24 CO 0.48 0.63 -0.17 0.54 -1.32 0.00 0.00 175.29 175.45 1ne3 s VAL 25 N -0.64 1.77 -0.10 3.63 0.11 -0.99 -1.75 120.40 122.43 1ne3 s VAL 25 Ca 0.11 -2.02 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 1ne3 s VAL 25 Cb -0.12 -1.90 -0.02 0.00 -1.53 0.00 0.00 36.38 32.80 1ne3 s VAL 25 CO 0.02 -0.43 -0.09 -0.75 -3.33 0.00 0.00 175.10 170.52 1ne3 s LYS 26 N -3.11 3.05 -0.01 1.54 2.20 1.18 -3.15 119.74 121.43 1ne3 s LYS 26 Ca 0.18 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1ne3 s LYS 26 Cb -0.04 -2.62 0.01 0.00 -1.51 0.00 0.00 37.83 33.67 1ne3 s LYS 26 CO 0.07 0.46 0.01 0.00 -0.36 0.00 0.00 175.35 175.52 1ne3 s ARG 28 N 0.48 3.29 0.36 0.00 3.00 -1.25 -2.50 118.95 122.34 1ne3 s ARG 28 Ca -0.04 -0.30 -0.27 0.00 -1.00 0.00 0.00 55.73 54.12 1ne3 s ARG 28 Cb -0.06 -2.99 -0.12 0.00 0.00 0.00 0.00 34.95 31.78 1ne3 s ARG 28 CO -0.01 0.67 1.15 -0.89 0.00 0.00 0.00 175.30 176.22 1ne3 n ILE 29 N 2.29 2.20 0.23 4.11 5.41 0.51 -3.92 119.36 130.19 1ne3 n ILE 29 Ca -0.19 -0.50 0.05 0.00 1.00 0.00 0.00 62.75 63.11 1ne3 n ILE 29 Cb 0.54 -1.34 -0.07 0.00 -0.71 0.00 0.00 39.64 38.06 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 0.71 0.24 -3.52 1.39 4.77 -1.25 -3.44 117.00 115.89 1ne3 n LEU 30 Ca 0.07 -0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 1ne3 n LEU 30 Cb 0.36 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1ne3 n LEU 30 CO 0.60 0.06 0.58 -1.81 -1.33 0.00 0.00 177.39 175.48 1ne3 s ASP 31 N -2.65 -0.52 0.00 -1.43 1.01 -1.26 -4.93 116.67 106.89 1ne3 s ASP 31 Ca -0.00 0.44 0.00 0.00 0.71 0.00 0.00 52.55 53.70 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 0.44 -0.57 0.00 0.61 0.21 0.00 0.00 175.17 175.87 1ne3 n GLY 32 N 0.55 3.25 0.23 0.21 0.00 -1.26 -4.59 105.19 103.59 1ne3 n GLY 32 Ca -0.15 -1.87 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 -0.61 1.61 1.12 -2.03 0.37 114.38 114.84 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 -2.61 3.78 -1.28 -3.80 8.00 -1.26 -5.02 116.55 114.35 1ne3 n ASP 34 Ca -0.01 -2.08 -0.15 0.00 0.71 0.00 0.00 54.79 53.26 1ne3 n ASP 34 Cb 0.10 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.75 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 1.24 0.00 -0.03 -1.24 4.81 0.13 0.35 118.16 123.42 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 -0.35 0.00 0.00 0.02 0.00 0.00 35.03 35.31 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 0.51 1.63 3.71 3.14 0.00 -1.22 -5.01 105.19 107.95 1ne3 n GLY 36 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.44 4.18 -0.10 1.61 3.52 0.15 -4.53 118.95 123.34 1ne3 s ARG 37 Ca 0.00 2.43 0.02 0.00 -0.13 0.00 0.00 55.73 58.05 1ne3 s ARG 37 Cb 0.00 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 30.05 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 1.81 2.62 0.07 4.11 1.09 -1.26 0.19 121.20 129.83 1ne3 s ILE 38 Ca 0.74 -0.83 0.02 0.00 -1.10 0.00 0.00 60.65 59.48 1ne3 s ILE 38 Cb -0.44 -2.05 -0.03 0.00 -1.06 0.00 0.00 42.46 38.88 1ne3 s ILE 38 CO 0.32 0.55 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.88 1ne3 s LEU 39 N 0.19 2.39 -0.06 2.97 2.01 -1.04 -5.02 118.68 120.11 1ne3 s LEU 39 Ca -0.11 -0.79 0.05 0.00 0.01 0.00 0.00 54.13 53.30 1ne3 s LEU 39 Cb -0.16 -0.12 -0.01 0.00 0.01 0.00 0.00 46.19 45.92 1ne3 s LEU 39 CO 0.06 -0.34 -0.23 -0.89 1.01 0.00 0.00 176.35 175.96 1ne3 s THR 40 N -2.55 1.90 0.04 5.49 2.01 -1.26 -2.93 115.64 118.35 1ne3 s THR 40 Ca 0.01 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 1ne3 s THR 40 Cb -0.02 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1ne3 s THR 40 CO -0.02 0.53 0.06 -0.13 -0.69 0.00 0.00 174.62 174.36 1ne3 s ARG 41 N 0.02 0.58 -0.25 4.92 3.00 -1.19 -5.02 118.95 121.00 1ne3 s ARG 41 Ca -0.07 -0.88 -0.23 0.00 0.00 0.00 0.00 55.73 54.54 1ne3 s ARG 41 Cb -0.14 0.22 -0.01 0.00 0.00 0.00 0.00 34.95 35.02 1ne3 s ARG 41 CO 0.05 -0.14 0.77 -0.80 0.00 0.00 0.00 175.30 175.18 1ne3 s ASN 42 N -2.33 6.74 0.06 0.23 0.01 -1.26 -2.36 114.94 116.04 1ne3 s ASN 42 Ca -0.02 0.90 0.08 0.00 -0.71 0.00 0.00 52.86 53.11 1ne3 s ASN 42 Cb 0.01 -2.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 1ne3 s ASN 42 CO -0.06 -0.49 -0.22 0.54 -1.51 0.00 0.00 177.10 175.36 1ne3 s VAL 43 N 2.77 1.76 -0.13 1.60 0.11 0.97 -4.97 120.40 122.51 1ne3 s VAL 43 Ca 0.32 -1.33 -0.06 0.00 -2.93 0.00 0.00 61.98 57.98 1ne3 s VAL 43 Cb -0.15 -1.54 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 1ne3 s VAL 43 CO 0.08 0.16 0.10 0.00 -3.33 0.00 0.00 175.10 172.11 1ne3 s MET 44 N -1.39 3.48 0.00 1.54 0.23 -1.26 -1.95 119.30 119.95 1ne3 s MET 44 Ca 0.08 -0.22 0.00 0.00 -1.03 0.00 0.00 55.69 54.52 1ne3 s MET 44 Cb -0.09 -3.13 0.00 0.00 -1.53 0.00 0.00 34.83 30.07 1ne3 s MET 44 CO 0.03 0.66 0.00 0.41 -2.03 0.00 0.00 175.02 174.09 1ne3 n GLY 45 N 2.33 2.06 3.56 3.16 0.00 -1.26 -4.88 105.19 110.16 1ne3 n GLY 45 Ca -0.19 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.09 3.12 -0.13 1.61 0.04 -1.26 -4.86 135.00 131.42 1ne3 s PRO 46 Ca 0.00 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 60.14 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 -2.86 -0.13 -1.50 0.04 0.00 0.00 177.00 172.56 1ne3 s ILE 47 N 7.51 1.42 0.23 0.56 2.07 -1.26 -5.13 121.20 126.59 1ne3 s ILE 47 Ca 0.59 -0.55 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1ne3 s ILE 47 Cb -0.02 -1.34 -0.05 0.00 0.13 0.00 0.00 42.46 41.17 1ne3 s ILE 47 CO -0.02 0.43 -0.01 0.00 -1.91 0.00 0.00 174.94 173.43 1ne3 s ARG 48 N 1.44 1.32 0.13 3.50 3.03 -1.26 -4.90 118.95 122.21 1ne3 s ARG 48 Ca 0.03 -1.66 -0.27 0.00 2.03 0.00 0.00 55.73 55.85 1ne3 s ARG 48 Cb -0.13 -0.61 -0.15 0.00 -1.03 0.00 0.00 34.95 33.02 1ne3 s ARG 48 CO -0.08 -0.09 0.57 -0.85 -1.13 0.00 0.00 175.30 173.72 1ne3 n GLU 49 N -0.41 0.00 0.00 3.89 0.28 -1.26 -2.03 120.64 121.12 1ne3 n GLU 49 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1ne3 n GLU 49 Cb 0.64 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.53 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 1.64 2.76 3.69 -1.84 0.00 0.44 -4.91 105.19 106.96 1ne3 n GLY 50 Ca 0.16 0.00 -0.29 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 -0.31 -4.45 1.61 9.92 -0.86 -4.54 116.55 117.92 1ne3 n ASP 51 Ca 0.00 -1.41 -0.33 0.00 -0.53 0.00 0.00 54.79 52.52 1ne3 n ASP 51 Cb 0.00 -0.99 -0.13 0.00 -0.64 0.00 0.00 41.12 39.36 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 -3.66 3.33 0.10 0.53 1.09 -1.26 0.21 121.20 121.54 1ne3 s ILE 52 Ca 0.73 -0.58 0.02 0.00 -1.10 0.00 0.00 60.65 59.72 1ne3 s ILE 52 Cb -0.03 -2.39 -0.04 0.00 -1.06 0.00 0.00 42.46 38.94 1ne3 s ILE 52 CO 0.52 0.54 -0.06 -0.76 -0.10 0.00 0.00 174.94 175.07 1ne3 s LEU 53 N 0.00 2.49 -0.16 2.97 1.02 -0.33 -4.89 118.68 119.79 1ne3 s LEU 53 Ca -0.02 -1.01 -0.15 0.00 0.02 0.00 0.00 54.13 52.96 1ne3 s LEU 53 Cb -0.14 -0.08 -0.04 0.00 0.02 0.00 0.00 46.19 45.94 1ne3 s LEU 53 CO 0.04 -0.46 0.34 -0.04 0.02 0.00 0.00 176.35 176.24 1ne3 s MET 54 N -3.83 4.26 -0.42 1.70 -1.94 -1.26 -2.61 119.30 115.19 1ne3 s MET 54 Ca 0.13 0.17 -0.15 0.00 -1.71 0.00 0.00 55.69 54.12 1ne3 s MET 54 Cb 0.05 -3.45 0.02 0.00 2.01 0.00 0.00 34.83 33.47 1ne3 s MET 54 CO -0.04 0.18 0.32 -0.51 -0.01 0.00 0.00 175.02 174.95 1ne3 s LEU 55 N 0.64 5.15 -0.10 -0.03 2.01 0.11 -4.86 118.68 121.60 1ne3 s LEU 55 Ca 0.18 -0.93 -0.03 0.00 0.01 0.00 0.00 54.13 53.36 1ne3 s LEU 55 Cb -0.14 -2.17 -0.04 0.00 0.01 0.00 0.00 46.19 43.86 1ne3 s LEU 55 CO 0.06 -0.47 0.04 -0.22 1.01 0.00 0.00 176.35 176.76 1ne3 s LEU 56 N 1.70 3.81 -0.04 1.79 1.98 -1.26 0.19 118.68 126.84 1ne3 s LEU 56 Ca 0.05 0.23 -0.30 0.00 -2.89 0.00 0.00 54.13 51.23 1ne3 s LEU 56 Cb -0.19 -1.89 -0.05 0.00 0.66 0.00 0.00 46.19 44.71 1ne3 s LEU 56 CO 0.10 0.38 1.49 -1.81 -1.89 0.00 0.00 176.35 174.62 1ne3 s ASP 57 N -0.88 6.78 0.01 3.68 1.01 -1.26 -4.95 116.67 121.06 1ne3 s ASP 57 Ca 0.13 2.12 -0.30 0.00 0.71 0.00 0.00 52.55 55.21 1ne3 s ASP 57 Cb -0.12 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 1ne3 s ASP 57 CO 0.03 -0.82 1.30 0.28 0.21 0.00 0.00 175.17 176.17 1ne3 s THR 58 N 3.20 3.88 0.05 -1.27 -1.32 -1.26 -4.98 115.64 113.94 1ne3 s THR 58 Ca 0.67 1.29 -0.30 0.00 -1.21 0.00 0.00 61.69 62.13 1ne3 s THR 58 Cb -0.31 -3.83 -0.05 0.00 -1.51 0.00 0.00 72.50 66.81 1ne3 s THR 58 CO 0.26 0.03 1.06 -0.51 -2.21 0.00 0.00 174.62 173.25 1ne3 s ILE 59 N 1.94 4.46 0.17 5.08 1.10 -1.26 -5.04 121.20 127.65 1ne3 s ILE 59 Ca 0.61 1.83 0.02 0.00 -0.51 0.00 0.00 60.65 62.60 1ne3 s ILE 59 Cb -0.30 -4.17 -0.04 0.00 0.15 0.00 0.00 42.46 38.11 1ne3 s ILE 59 CO 0.26 0.18 0.31 -0.13 -2.11 0.00 0.00 174.94 173.45 1ne3 s ARG 60 N 0.77 3.45 -0.14 3.50 0.52 -1.26 -5.10 118.95 120.69 1ne3 s ARG 60 Ca 0.53 -0.58 -0.08 0.00 -0.52 0.00 0.00 55.73 55.08 1ne3 s ARG 60 Cb -0.25 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 1ne3 s ARG 60 CO 0.29 0.49 0.16 -1.21 0.02 0.00 0.00 175.30 175.05 1ne3 s GLU 61 N -3.34 3.71 0.05 3.54 8.01 -1.26 -5.08 118.70 124.33 1ne3 s GLU 61 Ca 0.35 -0.12 -0.26 0.00 0.01 0.00 0.00 54.97 54.95 1ne3 s GLU 61 Cb -0.11 -3.27 -0.05 0.00 -4.31 0.00 0.00 34.13 26.39 1ne3 s GLU 61 CO 0.29 0.62 0.79 0.00 0.01 0.00 0.00 175.26 176.97 1ne3 s ALA 62 N -0.58 3.35 -0.13 5.21 0.00 -1.26 -5.02 121.76 123.34 1ne3 s ALA 62 Ca 0.13 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 1ne3 s ALA 62 Cb -0.12 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1ne3 s ALA 62 CO 0.03 0.05 1.05 0.21 0.00 0.00 0.00 175.76 177.09 1ne3 s LYS 63 N -0.03 4.37 -0.03 0.00 2.47 -1.26 -5.02 119.74 120.24 1ne3 s LYS 63 Ca 0.40 1.43 -0.16 0.00 -1.56 0.00 0.00 55.97 56.07 1ne3 s LYS 63 Cb -0.21 -3.57 -0.05 0.00 -1.46 0.00 0.00 37.83 32.54 1ne3 s LYS 63 CO 0.24 -0.41 0.45 -1.83 0.16 0.00 0.00 175.35 173.96 1ne3 s GLU 64 N 2.32 4.10 0.26 4.03 -1.05 -1.26 -5.07 118.70 122.04 1ne3 s GLU 64 Ca 0.49 0.46 -0.19 0.00 -0.15 0.00 0.00 54.97 55.57 1ne3 s GLU 64 Cb -0.18 -3.30 -0.09 0.00 -0.44 0.00 0.00 34.13 30.12 1ne3 s GLU 64 CO 0.16 0.50 0.75 0.42 0.95 0.00 0.00 175.26 178.05 1ne3 s ILE 65 N -0.50 4.55 -0.00 1.83 1.09 -1.26 -5.06 121.20 121.84 1ne3 s ILE 65 Ca 0.25 1.27 -0.07 0.00 -1.10 0.00 0.00 60.65 61.00 1ne3 s ILE 65 Cb -0.16 -3.81 -0.05 0.00 -1.06 0.00 0.00 42.46 37.38 1ne3 s ILE 65 CO 0.13 0.10 0.26 -0.60 -0.10 0.00 0.00 174.94 174.73 1ne3 s ARG 66 N -2.24 3.58 0.08 2.79 3.52 -1.26 -5.10 118.95 120.31 1ne3 s ARG 66 Ca 0.47 -0.06 0.09 0.00 -0.13 0.00 0.00 55.73 56.09 1ne3 s ARG 66 Cb -0.15 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 1ne3 s ARG 66 CO 0.20 0.66 -0.23 0.95 -0.81 0.00 0.00 175.30 176.07 1ne3 s THR 67 N -1.27 1.89 -2.00 4.11 -4.23 -1.26 -5.36 115.64 107.53 1ne3 s THR 67 Ca 0.26 -1.47 0.24 0.00 -1.18 0.00 0.00 61.69 59.54 1ne3 s THR 67 Cb -0.13 -1.67 0.68 0.00 1.34 0.00 0.00 72.50 72.72 1ne3 s THR 67 CO 0.15 0.12 1.80 -0.81 -0.54 0.00 0.00 174.62 175.34