#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqv s GLN 2 N 0.00 4.49 -0.10 2.12 -0.21 -1.26 -5.04 119.66 119.65 1nqv s GLN 2 Ca 0.00 1.28 0.02 0.00 0.02 0.00 0.00 55.36 56.68 1nqv s GLN 2 Cb 0.00 -3.48 0.01 0.00 1.00 0.00 0.00 33.01 30.54 1nqv s GLN 2 CO 0.00 -0.11 -0.18 0.42 -2.12 0.00 0.00 175.29 173.30 1nqv s ILE 3 N 1.27 1.67 -0.08 1.08 1.01 -1.26 -5.12 121.20 119.78 1nqv s ILE 3 Ca 0.47 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1nqv s ILE 3 Cb -0.19 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1nqv s ILE 3 CO 0.23 0.47 -0.23 -0.31 0.00 0.00 0.00 174.94 175.10 1nqv s TYR 4 N 0.75 2.54 0.18 3.97 1.51 -1.26 -5.12 117.35 119.91 1nqv s TYR 4 Ca -0.11 -0.80 -0.16 0.00 -1.01 0.00 0.00 57.07 54.99 1nqv s TYR 4 Cb -0.16 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1nqv s TYR 4 CO 0.02 -0.27 0.46 -1.83 -1.11 0.00 0.00 175.55 172.82 1nqv s GLU 5 N 0.04 1.28 -0.12 -0.62 -1.05 -1.26 -5.12 118.70 111.86 1nqv s GLU 5 Ca -0.09 -0.89 -0.02 0.00 -0.15 0.00 0.00 54.97 53.81 1nqv s GLU 5 Cb -0.15 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 33.99 1nqv s GLU 5 CO 0.06 -0.53 -0.03 0.20 0.95 0.00 0.00 175.26 175.91 1nqv s GLY 6 N -2.88 1.76 0.94 -3.83 0.00 -1.26 -4.43 107.32 97.63 1nqv s GLY 6 Ca 0.09 -0.82 -0.15 0.00 0.00 0.00 0.00 44.72 43.84 1nqv s GLY 6 CO -0.04 -0.33 1.25 -1.59 0.00 0.00 0.00 173.10 172.39 1nqv s LYS 7 N -0.25 0.84 -0.07 2.90 -2.85 -1.26 -4.85 119.74 114.20 1nqv s LYS 7 Ca 0.05 -0.18 0.13 0.00 -1.00 0.00 0.00 55.97 54.96 1nqv s LYS 7 Cb -0.13 -1.85 0.38 0.00 -2.06 0.00 0.00 37.83 34.18 1nqv s LYS 7 CO 0.02 -2.32 1.31 1.28 0.10 0.00 0.00 175.35 175.74 1nqv n LEU 8 N -3.75 3.25 -4.76 2.77 4.77 -1.26 -4.10 117.00 113.92 1nqv n LEU 8 Ca 0.12 -2.41 -0.38 0.00 -0.03 0.00 0.00 56.01 53.32 1nqv n LEU 8 Cb 0.60 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1nqv n LEU 8 CO 0.50 0.70 0.18 0.42 -1.33 0.00 0.00 177.39 177.85 1nqv s THR 9 N -1.73 5.09 -0.21 -5.08 -4.23 -1.26 -4.86 115.64 103.35 1nqv s THR 9 Ca 0.30 0.98 0.15 0.00 -1.18 0.00 0.00 61.69 61.94 1nqv s THR 9 Cb 0.20 -3.81 0.60 0.00 1.34 0.00 0.00 72.50 70.83 1nqv s THR 9 CO 0.12 0.41 1.52 0.00 -0.54 0.00 0.00 174.62 176.13 1nqv n ALA 10 N 3.01 3.38 -1.68 3.99 0.00 0.13 -4.99 120.51 124.36 1nqv n ALA 10 Ca -0.09 -2.31 -0.46 0.00 0.00 0.00 0.00 53.44 50.58 1nqv n ALA 10 Cb 0.52 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 1nqv n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1nqv n GLU 11 N -0.33 2.29 -0.46 0.00 2.13 -1.25 -1.55 120.64 121.47 1nqv n GLU 11 Ca 0.25 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.90 1nqv n GLU 11 Cb 1.00 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 30.07 1nqv n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nqv n GLY 12 N 3.82 1.88 3.82 8.31 0.00 -1.26 -4.99 105.19 116.76 1nqv n GLY 12 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1nqv n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqv s LEU 13 N 0.00 4.15 -0.13 0.99 1.43 -0.60 -5.05 118.68 119.47 1nqv s LEU 13 Ca 0.00 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 1nqv s LEU 13 Cb 0.00 -4.09 0.01 0.00 0.03 0.00 0.00 46.19 42.14 1nqv s LEU 13 CO 0.00 -0.17 -0.18 -0.13 0.23 0.00 0.00 176.35 176.10 1nqv s ARG 14 N -2.62 2.61 0.07 1.70 0.52 -1.26 -4.58 118.95 115.39 1nqv s ARG 14 Ca 0.53 -0.70 0.09 0.00 -0.52 0.00 0.00 55.73 55.13 1nqv s ARG 14 Cb -0.13 -2.16 -0.03 0.00 0.52 0.00 0.00 34.95 33.15 1nqv s ARG 14 CO 0.18 -0.05 -0.25 -0.06 0.02 0.00 0.00 175.30 175.14 1nqv s PHE 15 N 0.92 2.35 -0.15 -0.53 0.40 -0.70 -0.37 117.98 119.90 1nqv s PHE 15 Ca -0.06 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 55.83 1nqv s PHE 15 Cb -0.15 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1nqv s PHE 15 CO -0.02 0.20 0.03 0.20 0.70 0.00 0.00 175.22 176.33 1nqv s GLY 16 N -1.49 1.87 -0.11 4.36 0.00 -0.54 -0.12 107.32 111.29 1nqv s GLY 16 Ca 0.13 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 44.12 1nqv s GLY 16 CO 0.04 -0.12 -0.22 -0.42 0.00 0.00 0.00 173.10 172.37 1nqv s ILE 17 N 0.04 1.99 -0.24 0.90 1.01 0.47 0.24 121.20 125.61 1nqv s ILE 17 Ca 0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1nqv s ILE 17 Cb -0.13 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.62 1nqv s ILE 17 CO 0.01 0.54 -0.04 -0.69 0.00 0.00 0.00 174.94 174.76 1nqv s VAL 18 N 0.54 3.18 -0.09 2.92 1.01 -0.20 -0.69 120.40 127.07 1nqv s VAL 18 Ca -0.14 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1nqv s VAL 18 Cb -0.17 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.69 1nqv s VAL 18 CO 0.05 0.31 -0.17 0.00 0.00 0.00 0.00 175.10 175.28 1nqv s ALA 19 N 1.41 1.73 0.48 5.51 0.00 -0.25 -0.38 121.76 130.26 1nqv s ALA 19 Ca 0.03 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 1nqv s ALA 19 Cb -0.15 -0.74 -0.06 0.00 0.00 0.00 0.00 23.12 22.16 1nqv s ALA 19 CO -0.04 0.11 0.86 -1.54 0.00 0.00 0.00 175.76 175.15 1nqv s SER 20 N 0.66 6.45 0.06 0.00 1.04 -0.86 -1.87 113.70 119.19 1nqv s SER 20 Ca -0.13 1.23 0.20 0.00 0.48 0.00 0.00 55.95 57.72 1nqv s SER 20 Cb -0.16 -2.37 -0.14 0.00 0.10 0.00 0.00 66.02 63.44 1nqv s SER 20 CO 0.04 -0.54 0.75 0.54 0.98 0.00 0.00 173.24 175.00 1nqv n ARG 21 N -1.76 0.63 -1.74 4.02 1.74 0.25 -4.76 116.66 115.04 1nqv n ARG 21 Ca 0.03 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 1nqv n ARG 21 Cb 0.54 -1.73 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 1nqv n ARG 21 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nqv n PHE 22 N -2.69 2.83 -3.54 -1.55 7.35 -0.30 -1.29 117.46 118.27 1nqv n PHE 22 Ca -0.08 0.22 -0.23 0.00 -0.76 0.00 0.00 57.45 56.61 1nqv n PHE 22 Cb 0.73 -2.61 0.08 0.00 0.35 0.00 0.00 39.48 38.03 1nqv n PHE 22 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1nqv n ASN 23 N 2.47 -5.93 0.28 -2.13 3.02 -1.26 -4.47 115.26 107.23 1nqv n ASN 23 Ca 0.10 -0.52 0.13 0.00 -0.03 0.00 0.00 54.58 54.26 1nqv n ASN 23 Cb 0.36 -4.85 0.82 0.00 -0.61 0.00 0.00 39.78 35.50 1nqv n ASN 23 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1nqv h HIS 24 N -2.55 0.00 0.00 3.10 2.07 -1.49 -0.41 115.15 115.87 1nqv h HIS 24 Ca -0.55 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 56.95 1nqv h HIS 24 Cb 1.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.33 1nqv h HIS 24 CO 0.47 0.02 -0.10 0.00 -3.07 0.00 0.00 177.93 175.26 1nqv h ALA 25 N 1.98 1.49 0.03 6.11 0.00 -1.90 0.15 119.26 127.12 1nqv h ALA 25 Ca -0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.46 1nqv h ALA 25 Cb 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1nqv h ALA 25 CO 0.00 0.13 -2.05 1.28 0.00 0.00 0.00 179.25 178.61 1nqv n LEU 26 N -3.92 2.34 -0.29 0.00 4.77 -0.27 -4.32 117.00 115.32 1nqv n LEU 26 Ca -0.02 0.22 0.04 0.00 -0.03 0.00 0.00 56.01 56.21 1nqv n LEU 26 Cb 0.19 -0.96 0.17 0.00 -2.33 0.00 0.00 43.42 40.50 1nqv n LEU 26 CO 0.31 0.65 1.13 0.58 -1.33 0.00 0.00 177.39 178.73 1nqv h VAL 27 N -0.49 0.87 -0.56 4.08 2.07 -1.07 -0.30 116.25 120.84 1nqv h VAL 27 Ca -0.51 -0.25 0.11 0.00 0.82 0.00 0.00 66.70 66.87 1nqv h VAL 27 Cb 1.71 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1nqv h VAL 27 CO -0.16 0.14 0.39 0.44 0.02 0.00 0.00 177.57 178.39 1nqv h ASP 28 N 0.74 0.25 -0.20 0.57 3.32 -0.91 0.65 116.42 120.84 1nqv h ASP 28 Ca 0.40 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.30 1nqv h ASP 28 Cb 0.42 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1nqv h ASP 28 CO -0.27 0.15 -0.46 0.03 -1.72 0.00 0.00 179.24 176.96 1nqv h ARG 29 N 0.28 0.77 -0.72 3.56 2.47 -1.25 -2.30 114.38 117.18 1nqv h ARG 29 Ca 0.27 -0.44 -0.03 0.00 -1.26 0.00 0.00 59.98 58.52 1nqv h ARG 29 Cb 0.67 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.99 1nqv h ARG 29 CO -0.06 1.06 0.33 -0.07 0.56 0.00 0.00 179.97 181.79 1nqv h LEU 30 N 0.61 0.96 -0.60 3.04 3.38 -0.61 -1.08 115.31 121.02 1nqv h LEU 30 Ca 0.03 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1nqv h LEU 30 Cb 1.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1nqv h LEU 30 CO 0.10 0.84 0.03 0.58 0.09 0.00 0.00 178.44 180.09 1nqv h VAL 31 N 1.02 1.26 -0.70 1.22 2.07 -0.97 -0.75 116.25 119.40 1nqv h VAL 31 Ca 0.25 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1nqv h VAL 31 Cb 0.15 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1nqv h VAL 31 CO -0.03 0.40 0.44 -0.33 0.02 0.00 0.00 177.57 178.08 1nqv h GLU 32 N 0.93 0.85 -0.47 1.57 5.08 -1.11 -1.25 114.58 120.18 1nqv h GLU 32 Ca 0.17 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1nqv h GLU 32 Cb 0.51 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1nqv h GLU 32 CO 0.02 0.56 -0.08 0.78 -1.00 0.00 0.00 179.01 179.30 1nqv h GLY 33 N 0.88 0.97 0.96 -3.84 0.00 -0.76 -1.28 103.07 99.99 1nqv h GLY 33 Ca 0.27 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1nqv h GLY 33 CO -0.09 0.71 0.15 0.00 0.00 0.00 0.00 176.54 177.30 1nqv h ALA 34 N 0.89 0.33 -0.56 3.60 0.00 -0.83 -0.57 119.26 122.13 1nqv h ALA 34 Ca 0.12 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1nqv h ALA 34 Cb 0.62 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1nqv h ALA 34 CO 0.04 -0.14 0.09 0.82 0.00 0.00 0.00 179.25 180.06 1nqv h ILE 35 N 0.32 1.25 -0.46 0.00 2.04 -1.15 -1.84 117.51 117.68 1nqv h ILE 35 Ca 0.09 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1nqv h ILE 35 Cb 0.05 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1nqv h ILE 35 CO -0.02 0.35 0.30 -0.78 0.00 0.00 0.00 178.15 178.01 1nqv h ASP 36 N 0.82 0.53 -0.32 1.72 3.58 -1.05 -0.44 116.42 121.26 1nqv h ASP 36 Ca 0.17 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1nqv h ASP 36 Cb 0.41 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1nqv h ASP 36 CO 0.01 0.38 0.17 0.00 -2.88 0.00 0.00 179.24 176.92 1nqv h ILE 38 N 0.34 0.95 -0.37 0.00 2.04 -1.00 -2.25 117.51 117.22 1nqv h ILE 38 Ca 0.13 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 1nqv h ILE 38 Cb 0.04 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1nqv h ILE 38 CO -0.08 0.02 -0.02 0.58 0.00 0.00 0.00 178.15 178.65 1nqv h VAL 39 N -0.12 1.26 0.00 1.67 2.07 -0.88 -0.76 116.25 119.48 1nqv h VAL 39 Ca -0.01 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1nqv h VAL 39 Cb 0.10 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1nqv h VAL 39 CO 0.02 0.34 0.00 0.54 0.02 0.00 0.00 177.57 178.49 1nqv n ARG 40 N -4.46 0.08 -0.13 1.57 1.74 -0.37 -1.43 116.66 113.66 1nqv n ARG 40 Ca -0.01 0.02 0.09 0.00 -0.77 0.00 0.00 57.85 57.18 1nqv n ARG 40 Cb 0.29 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.52 1nqv n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nqv n HIS 41 N -1.46 0.33 0.00 -1.55 8.25 -0.85 -4.93 115.22 115.01 1nqv n HIS 41 Ca 0.08 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1nqv n HIS 41 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1nqv n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqv n GLY 42 N 1.13 0.52 3.82 -1.41 0.00 -0.52 0.19 105.19 108.93 1nqv n GLY 42 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1nqv n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqv s GLY 43 N -1.00 2.26 0.10 -0.02 0.00 -0.33 -3.76 107.32 104.57 1nqv s GLY 43 Ca 0.00 0.37 -0.14 0.00 0.00 0.00 0.00 44.72 44.95 1nqv s GLY 43 CO 0.00 0.66 0.51 0.50 0.00 0.00 0.00 173.10 174.77 1nqv s ARG 44 N -3.66 3.97 0.40 2.90 0.52 -1.26 -4.15 118.95 117.67 1nqv s ARG 44 Ca 0.62 0.46 0.17 0.00 -0.52 0.00 0.00 55.73 56.47 1nqv s ARG 44 Cb -0.12 -3.03 0.87 0.00 0.52 0.00 0.00 34.95 33.18 1nqv s ARG 44 CO 0.25 0.55 1.86 1.05 0.02 0.00 0.00 175.30 179.03 1nqv h GLU 45 N 3.90 0.00 0.00 3.54 -0.00 -1.96 -1.35 114.58 118.72 1nqv h GLU 45 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.87 1nqv h GLU 45 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1nqv h GLU 45 CO 0.65 0.32 -0.01 0.93 -0.00 0.00 0.00 179.01 180.90 1nqv h GLU 46 N 0.00 0.00 -0.33 1.06 3.07 -2.00 -1.37 114.58 115.01 1nqv h GLU 46 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nqv h GLU 46 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1nqv h GLU 46 CO 0.04 0.01 0.00 -0.25 -1.40 0.00 0.00 179.01 177.41 1nqv n ASP 47 N -3.12 1.91 -4.70 1.42 8.00 -0.51 -4.84 116.55 114.71 1nqv n ASP 47 Ca -0.01 -1.95 -0.35 0.00 0.71 0.00 0.00 54.79 53.19 1nqv n ASP 47 Cb 0.23 -0.22 -0.09 0.00 -0.02 0.00 0.00 41.12 41.03 1nqv n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqv s ILE 48 N -1.56 5.03 -0.24 0.53 1.01 -0.52 -1.72 121.20 123.74 1nqv s ILE 48 Ca 0.26 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 1nqv s ILE 48 Cb 0.14 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1nqv s ILE 48 CO 0.18 0.49 -0.02 -0.89 0.00 0.00 0.00 174.94 174.71 1nqv s THR 49 N 0.05 3.44 -0.20 2.92 2.01 0.83 -4.98 115.64 119.71 1nqv s THR 49 Ca 0.07 -0.62 -0.08 0.00 0.31 0.00 0.00 61.69 61.37 1nqv s THR 49 Cb -0.12 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1nqv s THR 49 CO 0.00 0.31 0.09 -0.22 -0.69 0.00 0.00 174.62 174.11 1nqv s LEU 50 N 1.46 3.86 -0.14 4.42 2.96 -1.26 -0.39 118.68 129.58 1nqv s LEU 50 Ca 0.04 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1nqv s LEU 50 Cb -0.15 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.54 1nqv s LEU 50 CO -0.02 0.13 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.25 1nqv s VAL 51 N 0.67 2.31 -0.08 1.68 1.01 0.14 -4.97 120.40 121.15 1nqv s VAL 51 Ca 0.05 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 1nqv s VAL 51 Cb -0.13 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1nqv s VAL 51 CO 0.01 0.54 0.14 -0.13 0.00 0.00 0.00 175.10 175.66 1nqv s ARG 52 N 0.75 3.40 0.09 2.72 0.52 -1.26 -1.09 118.95 124.08 1nqv s ARG 52 Ca -0.08 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1nqv s ARG 52 Cb -0.16 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 1nqv s ARG 52 CO 0.00 0.74 -0.04 0.14 0.02 0.00 0.00 175.30 176.17 1nqv s VAL 53 N -1.10 0.48 0.09 3.52 -7.23 -0.78 -4.96 120.40 110.41 1nqv s VAL 53 Ca 0.18 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 1nqv s VAL 53 Cb -0.12 -1.71 -0.15 0.00 0.56 0.00 0.00 36.38 34.96 1nqv s VAL 53 CO 0.08 -0.84 1.66 -0.65 -0.31 0.00 0.00 175.10 175.05 1nqv h PRO 54 N 2.99 -0.52 -4.45 4.82 0.11 -1.94 0.72 132.00 133.73 1nqv h PRO 54 Ca -0.35 0.04 -0.32 0.00 0.11 0.00 0.00 66.00 65.47 1nqv h PRO 54 Cb 1.16 0.12 -0.11 0.00 0.11 0.00 0.00 31.00 32.28 1nqv h PRO 54 CO 0.64 -0.35 -0.37 0.20 -0.21 0.00 0.00 178.00 177.92 1nqv s GLY 55 N -2.19 1.71 0.45 -0.55 0.00 -1.26 -1.15 107.32 104.33 1nqv s GLY 55 Ca -0.16 -1.70 0.12 0.00 0.00 0.00 0.00 44.72 42.98 1nqv s GLY 55 CO 0.64 -1.21 2.06 1.76 0.00 0.00 0.00 173.10 176.35 1nqv h SER 56 N 2.23 0.29 -0.89 1.64 0.02 -1.91 -1.39 113.55 113.53 1nqv h SER 56 Ca -0.28 -0.00 0.15 0.00 -0.84 0.00 0.00 61.79 60.81 1nqv h SER 56 Cb 1.24 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.64 1nqv h SER 56 CO 0.40 0.20 0.57 -0.25 -1.14 0.00 0.00 176.83 176.62 1nqv h TRP 57 N 0.34 0.81 -0.01 3.45 2.91 -1.96 -1.49 115.95 120.00 1nqv h TRP 57 Ca 0.15 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1nqv h TRP 57 Cb 0.17 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.56 1nqv h TRP 57 CO -0.00 0.30 -0.15 0.39 -1.03 0.00 0.00 178.44 177.95 1nqv n GLU 58 N -4.56 0.90 -0.01 2.65 4.71 -0.53 -4.28 120.64 119.51 1nqv n GLU 58 Ca 0.17 -0.43 -0.11 0.00 -0.01 0.00 0.00 57.16 56.79 1nqv n GLU 58 Cb 0.48 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.36 1nqv n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1nqv h ILE 59 N 1.04 1.10 -0.13 -3.67 2.04 -1.24 -3.12 117.51 113.53 1nqv h ILE 59 Ca 0.00 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.63 1nqv h ILE 59 Cb 0.42 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1nqv h ILE 59 CO 0.00 0.08 -0.09 -0.65 0.00 0.00 0.00 178.15 177.49 1nqv h PRO 60 N 0.07 -0.10 -0.96 2.37 0.11 -1.76 0.28 132.00 132.01 1nqv h PRO 60 Ca 0.04 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.19 1nqv h PRO 60 Cb 0.09 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.16 1nqv h PRO 60 CO -0.01 -0.06 0.63 -0.24 -0.21 0.00 0.00 178.00 178.11 1nqv h VAL 61 N -0.10 1.16 -0.29 3.15 3.04 -1.84 0.12 116.25 121.49 1nqv h VAL 61 Ca 0.08 -0.41 -0.18 0.00 -1.01 0.00 0.00 66.70 65.18 1nqv h VAL 61 Cb 0.22 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.35 1nqv h VAL 61 CO -0.19 0.22 -0.51 0.00 -1.01 0.00 0.00 177.57 176.08 1nqv h ALA 62 N 1.44 0.45 -0.66 3.17 0.00 -1.43 -3.02 119.26 119.21 1nqv h ALA 62 Ca 0.38 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1nqv h ALA 62 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1nqv h ALA 62 CO -0.12 0.64 0.44 0.00 0.00 0.00 0.00 179.25 180.21 1nqv h ALA 63 N 0.68 1.53 -0.94 0.00 0.00 -0.07 -1.83 119.26 118.64 1nqv h ALA 63 Ca 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1nqv h ALA 63 Cb 1.11 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1nqv h ALA 63 CO 0.11 0.43 0.62 0.78 0.00 0.00 0.00 179.25 181.20 1nqv h GLY 64 N 0.89 1.33 1.27 0.00 0.00 -0.70 0.17 103.07 106.03 1nqv h GLY 64 Ca 0.24 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.92 1nqv h GLY 64 CO -0.05 0.45 -0.49 0.83 0.00 0.00 0.00 176.54 177.28 1nqv h GLU 65 N 1.24 0.78 -0.18 4.80 4.39 -1.24 -2.84 114.58 121.52 1nqv h GLU 65 Ca 0.36 -0.46 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1nqv h GLU 65 Cb -0.09 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1nqv h GLU 65 CO -0.09 1.09 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.55 1nqv h LEU 66 N 0.61 0.52 -1.95 1.33 3.38 -1.01 -3.11 115.31 115.08 1nqv h LEU 66 Ca 0.03 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 1nqv h LEU 66 Cb 1.07 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1nqv h LEU 66 CO 0.11 0.91 -0.11 0.00 0.09 0.00 0.00 178.44 179.44 1nqv h ALA 67 N 0.62 1.27 0.00 1.53 0.00 -0.73 -0.68 119.26 121.27 1nqv h ALA 67 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nqv h ALA 67 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1nqv h ALA 67 CO 0.05 0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.98 1nqv n ARG 68 N -3.61 0.18 -2.30 0.00 1.74 -1.07 -4.77 116.66 106.82 1nqv n ARG 68 Ca -0.02 0.27 -0.42 0.00 -0.77 0.00 0.00 57.85 56.91 1nqv n ARG 68 Cb 0.23 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 1nqv n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nqv s LYS 69 N -3.16 4.37 0.48 5.56 1.02 -0.26 -4.91 119.74 122.84 1nqv s LYS 69 Ca 0.08 1.91 0.23 0.00 0.02 0.00 0.00 55.97 58.22 1nqv s LYS 69 Cb 0.12 -3.34 1.24 0.00 -0.52 0.00 0.00 37.83 35.33 1nqv s LYS 69 CO 0.48 -0.37 2.01 1.49 -0.92 0.00 0.00 175.35 178.04 1nqv h GLU 70 N 6.93 0.00 -0.66 1.68 4.81 -1.87 -2.45 114.58 123.03 1nqv h GLU 70 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1nqv h GLU 70 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1nqv h GLU 70 CO 0.85 0.17 0.00 -0.40 -0.73 0.00 0.00 179.01 178.89 1nqv n ASP 71 N -3.83 4.56 -4.36 1.04 5.75 -1.26 -4.78 116.55 113.67 1nqv n ASP 71 Ca -0.02 -2.64 -0.35 0.00 -0.01 0.00 0.00 54.79 51.78 1nqv n ASP 71 Cb 0.27 -0.61 -0.14 0.00 -1.03 0.00 0.00 41.12 39.61 1nqv n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1nqv s ILE 72 N -2.23 3.52 -0.03 2.12 -1.09 -0.92 -4.77 121.20 117.78 1nqv s ILE 72 Ca 0.43 -0.46 0.12 0.00 -2.23 0.00 0.00 60.65 58.52 1nqv s ILE 72 Cb 0.31 -2.58 -0.16 0.00 -1.58 0.00 0.00 42.46 38.45 1nqv s ILE 72 CO 0.15 0.44 0.99 0.44 -1.23 0.00 0.00 174.94 175.73 1nqv h ASP 73 N 7.71 0.00 -4.99 3.58 3.32 -1.01 -3.47 116.42 121.57 1nqv h ASP 73 Ca -0.38 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 1nqv h ASP 73 Cb 1.17 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.56 1nqv h ASP 73 CO 0.60 0.83 0.20 0.00 -1.72 0.00 0.00 179.24 179.15 1nqv s ALA 74 N -2.76 -1.70 -0.05 3.45 0.00 -1.23 -4.48 121.76 114.98 1nqv s ALA 74 Ca -0.01 0.97 0.05 0.00 0.00 0.00 0.00 51.96 52.96 1nqv s ALA 74 Cb 0.09 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 1nqv s ALA 74 CO 0.81 -0.54 -0.18 0.08 0.00 0.00 0.00 175.76 175.93 1nqv s VAL 75 N -2.29 2.71 -0.21 0.00 1.01 -0.69 -1.47 120.40 119.46 1nqv s VAL 75 Ca -0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1nqv s VAL 75 Cb -0.00 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1nqv s VAL 75 CO 0.00 0.58 -0.04 -0.63 0.00 0.00 0.00 175.10 175.01 1nqv s ILE 76 N -0.57 3.43 -0.22 2.22 1.01 0.14 -0.54 121.20 126.66 1nqv s ILE 76 Ca 0.08 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 1nqv s ILE 76 Cb -0.11 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1nqv s ILE 76 CO 0.01 0.43 0.31 0.00 0.00 0.00 0.00 174.94 175.69 1nqv s ALA 77 N 1.36 3.58 -0.09 9.38 0.00 -0.58 -1.04 121.76 134.37 1nqv s ALA 77 Ca 0.04 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1nqv s ALA 77 Cb -0.14 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.47 1nqv s ALA 77 CO -0.02 -0.29 -0.07 0.42 0.00 0.00 0.00 175.76 175.80 1nqv s ILE 78 N 1.28 0.93 0.26 0.00 1.01 0.49 0.08 121.20 125.25 1nqv s ILE 78 Ca 0.15 -0.26 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 1nqv s ILE 78 Cb -0.14 -0.94 0.04 0.00 0.01 0.00 0.00 42.46 41.42 1nqv s ILE 78 CO 0.07 0.34 0.81 -0.83 0.00 0.00 0.00 174.94 175.33 1nqv s GLY 79 N 1.47 -0.02 -0.13 6.18 0.00 -1.17 -2.03 107.32 111.62 1nqv s GLY 79 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.40 1nqv s GLY 79 CO -0.05 0.07 0.03 0.14 0.00 0.00 0.00 173.10 173.29 1nqv s VAL 80 N -3.32 0.33 -0.18 1.40 1.01 -1.26 -0.88 120.40 117.50 1nqv s VAL 80 Ca 0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1nqv s VAL 80 Cb -0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1nqv s VAL 80 CO 0.07 -0.01 -0.01 -0.76 0.00 0.00 0.00 175.10 174.38 1nqv s LEU 81 N 1.97 3.28 -0.07 3.92 1.43 -0.01 -4.70 118.68 124.50 1nqv s LEU 81 Ca 0.02 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1nqv s LEU 81 Cb -0.15 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1nqv s LEU 81 CO -0.07 0.12 -0.20 -0.63 0.23 0.00 0.00 176.35 175.80 1nqv s ILE 82 N 0.68 1.69 0.21 -0.59 1.01 -1.26 -0.73 121.20 122.21 1nqv s ILE 82 Ca -0.01 -0.82 -0.31 0.00 0.00 0.00 0.00 60.65 59.51 1nqv s ILE 82 Cb -0.14 -1.46 -0.10 0.00 0.01 0.00 0.00 42.46 40.76 1nqv s ILE 82 CO 0.02 0.48 1.52 -0.60 0.00 0.00 0.00 174.94 176.36 1nqv s ARG 83 N 0.27 4.22 0.00 2.79 3.52 -0.38 -4.93 118.95 124.44 1nqv s ARG 83 Ca -0.12 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 1nqv s ARG 83 Cb -0.15 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1nqv s ARG 83 CO 0.05 -0.54 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 1nqv n GLY 84 N 2.98 1.63 0.16 8.12 0.00 -1.26 -4.85 105.19 111.97 1nqv n GLY 84 Ca 0.10 -1.93 0.04 0.00 0.00 0.00 0.00 46.02 44.24 1nqv n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqv h ALA 85 N -1.14 0.75 -1.06 4.61 0.00 -2.01 -3.46 119.26 116.95 1nqv h ALA 85 Ca 0.00 -0.40 -0.55 0.00 0.00 0.00 0.00 54.91 53.97 1nqv h ALA 85 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1nqv h ALA 85 CO 0.00 0.54 -0.35 0.95 0.00 0.00 0.00 179.25 180.39 1nqv s THR 86 N -3.10 2.11 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.16 1nqv s THR 86 Ca 0.03 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1nqv s THR 86 Cb 0.08 -2.57 0.07 0.00 1.34 0.00 0.00 72.50 71.42 1nqv s THR 86 CO 0.72 0.00 0.92 -0.81 -0.54 0.00 0.00 174.62 174.91 1nqv n PRO 87 N -1.62 0.81 -0.28 3.99 -0.04 -1.26 -4.01 135.00 132.58 1nqv n PRO 87 Ca 0.01 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1nqv n PRO 87 Cb 0.63 -1.05 0.16 0.00 -0.04 0.00 0.00 33.50 33.20 1nqv n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1nqv h HIS 88 N 0.00 -0.19 -0.48 0.54 2.76 -1.95 -0.71 115.15 115.11 1nqv h HIS 88 Ca 0.00 0.06 0.09 0.00 -2.20 0.00 0.00 60.37 58.33 1nqv h HIS 88 Cb 0.00 0.21 -0.08 0.00 1.55 0.00 0.00 27.41 29.10 1nqv h HIS 88 CO 0.00 -0.31 0.03 0.35 -1.30 0.00 0.00 177.93 176.69 1nqv h PHE 89 N 0.05 0.02 -0.34 5.26 3.57 -1.92 -2.30 116.94 121.28 1nqv h PHE 89 Ca 0.44 0.03 0.03 0.00 3.53 0.00 0.00 57.97 62.00 1nqv h PHE 89 Cb 0.76 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 1nqv h PHE 89 CO -0.52 -0.08 0.15 -0.44 -2.23 0.00 0.00 178.31 175.19 1nqv h ASP 90 N 0.14 0.20 -0.47 0.41 5.19 -1.44 0.77 116.42 121.23 1nqv h ASP 90 Ca 0.24 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.55 1nqv h ASP 90 Cb 0.36 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1nqv h ASP 90 CO -0.38 0.16 -0.18 1.88 -3.12 0.00 0.00 179.24 177.60 1nqv h TYR 91 N 0.32 1.11 -0.11 4.55 0.05 -1.23 -0.44 116.97 121.21 1nqv h TYR 91 Ca 0.15 -0.25 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 1nqv h TYR 91 Cb 0.09 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.56 1nqv h TYR 91 CO -0.11 1.07 -0.14 0.82 -1.05 0.00 0.00 178.16 178.74 1nqv h ILE 92 N 0.85 1.37 -0.72 -2.88 2.04 -1.20 -1.61 117.51 115.36 1nqv h ILE 92 Ca 0.12 -1.35 0.05 0.00 1.00 0.00 0.00 64.86 64.67 1nqv h ILE 92 Cb 0.75 2.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.78 1nqv h ILE 92 CO 0.06 0.39 0.43 0.00 0.00 0.00 0.00 178.15 179.03 1nqv h ALA 93 N 0.56 0.96 -0.23 1.87 0.00 -0.84 0.11 119.26 121.69 1nqv h ALA 93 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1nqv h ALA 93 Cb 0.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nqv h ALA 93 CO 0.03 0.16 0.11 0.77 0.00 0.00 0.00 179.25 180.32 1nqv h SER 94 N 0.81 0.30 0.61 0.00 0.02 -1.03 -2.41 113.55 111.85 1nqv h SER 94 Ca 0.31 -0.13 -0.18 0.00 -0.84 0.00 0.00 61.79 60.95 1nqv h SER 94 Cb 0.12 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1nqv h SER 94 CO -0.15 0.35 -0.80 -0.33 -1.14 0.00 0.00 176.83 174.76 1nqv h GLU 95 N 0.24 0.13 -0.28 3.45 4.39 -0.83 -1.47 114.58 120.21 1nqv h GLU 95 Ca 0.08 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1nqv h GLU 95 Cb 0.13 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1nqv h GLU 95 CO -0.01 0.86 -0.04 -0.24 -1.16 0.00 0.00 179.01 178.42 1nqv h VAL 96 N 0.08 1.27 -0.47 3.13 3.04 -0.73 -1.12 116.25 121.44 1nqv h VAL 96 Ca -0.03 -1.03 -0.09 0.00 -1.01 0.00 0.00 66.70 64.54 1nqv h VAL 96 Cb 1.39 1.39 -0.02 0.00 -2.01 0.00 0.00 31.29 32.04 1nqv h VAL 96 CO 0.12 0.33 -0.06 0.77 -1.01 0.00 0.00 177.57 177.71 1nqv h SER 97 N 0.29 0.87 -0.46 3.17 4.64 -1.45 -1.91 113.55 118.71 1nqv h SER 97 Ca 0.07 -0.34 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 1nqv h SER 97 Cb 0.50 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1nqv h SER 97 CO 0.02 1.00 0.15 0.50 -0.87 0.00 0.00 176.83 177.63 1nqv h LYS 98 N 0.73 0.71 -0.20 4.77 3.64 -1.21 -1.82 116.57 123.18 1nqv h LYS 98 Ca 0.13 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1nqv h LYS 98 Cb 0.59 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1nqv h LYS 98 CO 0.04 0.67 0.11 0.78 -2.27 0.00 0.00 179.45 178.78 1nqv h GLY 99 N 0.60 0.30 1.00 5.01 0.00 -1.12 -0.24 103.07 108.62 1nqv h GLY 99 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1nqv h GLY 99 CO -0.01 0.13 0.29 1.41 0.00 0.00 0.00 176.54 178.36 1nqv h LEU 100 N 0.22 0.51 -0.65 3.11 3.38 -1.31 0.68 115.31 121.25 1nqv h LEU 100 Ca 0.07 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1nqv h LEU 100 Cb 0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1nqv h LEU 100 CO -0.01 0.37 0.15 0.00 0.09 0.00 0.00 178.44 179.04 1nqv h ALA 101 N 1.16 0.86 -0.41 1.53 0.00 -1.07 -1.79 119.26 119.55 1nqv h ALA 101 Ca 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1nqv h ALA 101 Cb -0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1nqv h ALA 101 CO -0.04 0.58 0.12 -0.91 0.00 0.00 0.00 179.25 179.01 1nqv h ASN 102 N 0.97 0.59 -0.95 0.00 -0.26 -0.81 -2.61 115.58 112.51 1nqv h ASN 102 Ca 0.20 -0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1nqv h ASN 102 Cb 0.37 -0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 37.43 1nqv h ASN 102 CO 0.00 0.65 0.57 -0.07 -1.06 0.00 0.00 177.43 177.52 1nqv h LEU 103 N 0.51 1.14 -0.74 1.61 3.38 -0.67 -0.15 115.31 120.39 1nqv h LEU 103 Ca 0.13 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1nqv h LEU 103 Cb 0.27 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1nqv h LEU 103 CO -0.00 0.87 0.49 -1.28 0.09 0.00 0.00 178.44 178.60 1nqv h SER 104 N 1.31 0.85 -0.17 -0.43 0.87 -1.05 0.95 113.55 115.88 1nqv h SER 104 Ca 0.34 -0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.76 1nqv h SER 104 Cb -0.06 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1nqv h SER 104 CO -0.06 0.62 -0.32 -0.07 -0.53 0.00 0.00 176.83 176.47 1nqv h LEU 105 N 1.00 0.59 -0.45 2.23 3.38 -1.10 0.72 115.31 121.67 1nqv h LEU 105 Ca 0.27 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1nqv h LEU 105 Cb -0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1nqv h LEU 105 CO -0.06 1.02 0.26 -0.08 0.09 0.00 0.00 178.44 179.67 1nqv h GLU 106 N 0.17 0.63 -0.01 1.13 4.81 -0.82 -2.94 114.58 117.54 1nqv h GLU 106 Ca 0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1nqv h GLU 106 Cb 0.92 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1nqv h GLU 106 CO 0.07 0.48 -0.09 1.28 -0.73 0.00 0.00 179.01 180.03 1nqv n LEU 107 N -4.71 1.43 -3.77 1.64 4.77 0.31 -4.94 117.00 111.73 1nqv n LEU 107 Ca 0.01 -0.45 -0.23 0.00 -0.03 0.00 0.00 56.01 55.31 1nqv n LEU 107 Cb 0.07 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1nqv n LEU 107 CO 0.36 0.25 -0.12 0.54 -1.33 0.00 0.00 177.39 177.08 1nqv n ARG 108 N -0.03 -3.99 -3.78 3.23 1.74 0.19 -4.97 116.66 109.04 1nqv n ARG 108 Ca 0.16 0.54 -0.13 0.00 -0.77 0.00 0.00 57.85 57.66 1nqv n ARG 108 Cb 0.37 -4.88 -0.12 0.00 -1.02 0.00 0.00 32.46 26.81 1nqv n ARG 108 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1nqv s LYS 109 N -6.13 0.28 0.18 5.56 2.20 -0.82 -5.05 119.74 115.95 1nqv s LYS 109 Ca 0.05 0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.71 1nqv s LYS 109 Cb -0.02 0.12 -0.10 0.00 -1.51 0.00 0.00 37.83 36.33 1nqv s LYS 109 CO 0.84 -0.04 1.52 -2.14 -0.36 0.00 0.00 175.35 175.17 1nqv s PRO 110 N 0.21 4.24 -0.15 4.03 0.02 -1.26 -4.46 135.00 137.63 1nqv s PRO 110 Ca -0.01 2.31 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 1nqv s PRO 110 Cb -0.02 -3.16 0.04 0.00 0.02 0.00 0.00 34.50 31.38 1nqv s PRO 110 CO -0.00 -0.55 -0.05 0.42 -0.33 0.00 0.00 177.00 176.49 1nqv s ILE 111 N 0.91 0.98 0.34 2.83 1.01 -1.26 -1.70 121.20 124.31 1nqv s ILE 111 Ca 0.67 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.90 1nqv s ILE 111 Cb -0.42 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1nqv s ILE 111 CO 0.33 0.18 0.49 0.42 0.00 0.00 0.00 174.94 176.36 1nqv s THR 112 N 1.70 4.34 -0.41 2.92 -4.23 0.29 -4.94 115.64 115.32 1nqv s THR 112 Ca 0.02 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 1nqv s THR 112 Cb -0.14 -3.53 0.11 0.00 1.34 0.00 0.00 72.50 70.28 1nqv s THR 112 CO -0.08 -0.24 0.15 0.12 -0.54 0.00 0.00 174.62 174.04 1nqv s PHE 113 N -2.21 3.61 -0.39 3.99 5.36 -1.26 -1.52 117.98 125.56 1nqv s PHE 113 Ca 0.43 -2.87 0.05 0.00 -0.96 0.00 0.00 56.93 53.58 1nqv s PHE 113 Cb -0.09 -3.00 0.46 0.00 -0.34 0.00 0.00 43.02 40.04 1nqv s PHE 113 CO 0.32 -0.91 1.44 0.41 -1.46 0.00 0.00 175.22 175.01 1nqv n GLY 114 N 4.10 6.08 3.59 13.12 0.00 0.11 -4.70 105.19 127.49 1nqv n GLY 114 Ca 0.03 -2.38 -0.38 0.00 0.00 0.00 0.00 46.02 43.28 1nqv n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqv s VAL 115 N -4.48 5.29 0.19 1.61 1.01 -1.21 -3.02 120.40 119.79 1nqv s VAL 115 Ca 0.54 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1nqv s VAL 115 Cb 0.43 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 1nqv s VAL 115 CO 0.02 0.24 0.96 -0.63 0.00 0.00 0.00 175.10 175.68 1nqv s ILE 116 N 1.80 4.19 -0.47 2.22 1.01 -0.06 -4.92 121.20 124.98 1nqv s ILE 116 Ca 0.08 2.05 0.03 0.00 0.00 0.00 0.00 60.65 62.81 1nqv s ILE 116 Cb -0.16 -4.31 0.14 0.00 0.01 0.00 0.00 42.46 38.15 1nqv s ILE 116 CO 0.11 0.42 0.29 0.42 0.00 0.00 0.00 174.94 176.18 1nqv s THR 117 N -0.74 1.40 -0.05 2.92 -4.23 -1.26 -0.83 115.64 112.86 1nqv s THR 117 Ca 0.43 -2.76 -0.02 0.00 -1.18 0.00 0.00 61.69 58.16 1nqv s THR 117 Cb -0.25 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1nqv s THR 117 CO 0.32 -0.96 0.07 0.00 -0.54 0.00 0.00 174.62 173.51 1nqv s ALA 118 N 0.10 3.56 0.13 3.99 0.00 0.09 -5.00 121.76 124.63 1nqv s ALA 118 Ca 0.21 -0.81 0.11 0.00 0.00 0.00 0.00 51.96 51.46 1nqv s ALA 118 Cb -0.18 -1.62 0.11 0.00 0.00 0.00 0.00 23.12 21.43 1nqv s ALA 118 CO -0.05 0.65 1.46 -0.44 0.00 0.00 0.00 175.76 177.38 1nqv h ASP 119 N 4.54 0.00 -4.46 0.00 3.32 -1.94 -1.00 116.42 116.88 1nqv h ASP 119 Ca -0.51 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.29 1nqv h ASP 119 Cb 1.19 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 1nqv h ASP 119 CO 0.59 0.74 -0.70 0.42 -1.72 0.00 0.00 179.24 178.57 1nqv s THR 120 N -3.13 0.81 0.23 0.35 -4.23 -1.26 -4.00 115.64 104.41 1nqv s THR 120 Ca 0.01 -1.91 -0.07 0.00 -1.18 0.00 0.00 61.69 58.53 1nqv s THR 120 Cb 0.11 -1.66 0.22 0.00 1.34 0.00 0.00 72.50 72.50 1nqv s THR 120 CO 0.78 -0.81 1.90 0.25 -0.54 0.00 0.00 174.62 176.20 1nqv h LEU 121 N 3.02 1.01 -0.63 4.79 5.85 -1.92 -2.42 115.31 125.01 1nqv h LEU 121 Ca -0.36 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1nqv h LEU 121 Cb 1.17 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1nqv h LEU 121 CO 0.63 0.72 0.38 -0.08 -0.34 0.00 0.00 178.44 179.75 1nqv h GLU 122 N 1.19 0.73 -0.71 1.25 4.81 -1.99 -0.54 114.58 119.31 1nqv h GLU 122 Ca 0.34 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1nqv h GLU 122 Cb -0.09 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 1nqv h GLU 122 CO -0.09 0.48 0.36 1.96 -0.73 0.00 0.00 179.01 181.00 1nqv h GLN 123 N 0.75 1.00 -0.37 1.92 4.20 -1.88 -0.87 115.11 119.86 1nqv h GLN 123 Ca 0.25 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1nqv h GLN 123 Cb 0.03 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1nqv h GLN 123 CO -0.11 0.76 0.12 0.00 -0.67 0.00 0.00 178.83 178.93 1nqv h ALA 124 N 1.39 0.49 -0.58 3.87 0.00 -0.85 -2.85 119.26 120.73 1nqv h ALA 124 Ca 0.25 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1nqv h ALA 124 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1nqv h ALA 124 CO -0.04 0.12 0.37 0.82 0.00 0.00 0.00 179.25 180.53 1nqv h ILE 125 N 0.45 1.11 -0.90 0.00 2.04 -0.80 -2.11 117.51 117.30 1nqv h ILE 125 Ca 0.12 -0.26 0.18 0.00 1.00 0.00 0.00 64.86 65.91 1nqv h ILE 125 Cb 0.25 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.56 1nqv h ILE 125 CO -0.00 0.14 0.59 -0.33 0.00 0.00 0.00 178.15 178.54 1nqv h GLU 126 N 0.74 0.50 -0.23 2.37 5.08 -1.03 -2.37 114.58 119.65 1nqv h GLU 126 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1nqv h GLU 126 Cb -0.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1nqv h GLU 126 CO -0.07 0.33 0.00 0.54 -1.00 0.00 0.00 179.01 178.81 1nqv n ARG 127 N -4.55 2.44 -2.40 2.33 1.74 -0.91 -0.16 116.66 115.14 1nqv n ARG 127 Ca 0.19 -2.14 -0.30 0.00 -0.77 0.00 0.00 57.85 54.83 1nqv n ARG 127 Cb 0.62 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.57 1nqv n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqv n ALA 128 N 1.44 5.37 0.00 7.54 0.00 -0.84 -1.89 120.51 132.13 1nqv n ALA 128 Ca 0.17 -4.31 0.00 0.00 0.00 0.00 0.00 53.44 49.30 1nqv n ALA 128 Cb 0.61 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1nqv n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqv n GLY 129 N -0.47 1.03 0.00 0.00 0.00 0.11 -4.73 105.19 101.12 1nqv n GLY 129 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1nqv n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nqv n THR 130 N -1.91 0.00 0.25 2.61 -2.24 -1.17 -4.93 114.28 106.88 1nqv n THR 130 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1nqv n THR 130 Cb 0.00 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 68.88 1nqv n THR 130 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1nqv h LYS 131 N 0.00 0.00 -0.75 -0.78 2.10 -1.83 -1.12 116.57 114.19 1nqv h LYS 131 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.31 1nqv h LYS 131 Cb 0.00 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.13 1nqv h LYS 131 CO 0.00 0.12 0.36 0.72 -2.00 0.00 0.00 179.45 178.65 1nqv n HIS 132 N -4.02 2.38 -3.44 0.07 8.25 0.77 -5.04 115.22 114.18 1nqv n HIS 132 Ca -0.02 -1.57 0.00 0.00 -0.26 0.00 0.00 57.72 55.87 1nqv n HIS 132 Cb 0.21 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.57 1nqv n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqv n GLY 133 N -0.83 -1.34 2.74 -1.41 0.00 -0.43 -4.59 105.19 99.33 1nqv n GLY 133 Ca 0.47 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 1nqv n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nqv s ASN 134 N -4.00 3.20 0.53 1.61 3.84 -1.25 0.07 114.94 118.93 1nqv s ASN 134 Ca 0.00 -1.01 0.30 0.00 0.21 0.00 0.00 52.86 52.35 1nqv s ASN 134 Cb 0.00 -0.66 1.46 0.00 -0.55 0.00 0.00 41.25 41.50 1nqv s ASN 134 CO 0.00 -0.33 2.05 0.11 -2.79 0.00 0.00 177.10 176.15 1nqv h LYS 135 N 8.21 0.00 -0.29 0.43 1.79 -1.70 -1.35 116.57 123.67 1nqv h LYS 135 Ca -0.16 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.25 1nqv h LYS 135 Cb 1.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 1nqv h LYS 135 CO 0.37 0.11 -0.05 0.78 -1.08 0.00 0.00 179.45 179.57 1nqv h GLY 136 N 1.12 0.58 1.00 3.86 0.00 -1.82 -0.71 103.07 107.10 1nqv h GLY 136 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1nqv h GLY 136 CO 0.01 0.43 0.18 -0.25 0.00 0.00 0.00 176.54 176.91 1nqv h TRP 137 N 0.31 0.34 -0.32 5.60 7.01 -1.49 -0.04 115.95 127.35 1nqv h TRP 137 Ca 0.07 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.09 1nqv h TRP 137 Cb 0.52 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.45 1nqv h TRP 137 CO 0.05 0.21 0.21 0.93 -2.79 0.00 0.00 178.44 177.05 1nqv h GLU 138 N 0.37 0.42 -0.18 2.65 5.08 -1.21 -0.45 114.58 121.25 1nqv h GLU 138 Ca 0.10 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1nqv h GLU 138 Cb -0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1nqv h GLU 138 CO -0.02 0.28 -0.20 0.00 -1.00 0.00 0.00 179.01 178.06 1nqv h ALA 139 N 1.12 1.32 -0.29 3.43 0.00 -0.95 -1.47 119.26 122.43 1nqv h ALA 139 Ca 0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1nqv h ALA 139 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1nqv h ALA 139 CO -0.03 0.46 -0.05 0.00 0.00 0.00 0.00 179.25 179.63 1nqv h ALA 140 N 1.50 0.40 -0.97 0.00 0.00 -0.73 -1.47 119.26 117.98 1nqv h ALA 140 Ca 0.05 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1nqv h ALA 140 Cb 0.53 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1nqv h ALA 140 CO 0.03 0.19 0.64 1.25 0.00 0.00 0.00 179.25 181.37 1nqv h LEU 141 N 0.31 1.10 -0.81 0.00 5.85 -0.78 -0.06 115.31 120.92 1nqv h LEU 141 Ca 0.08 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1nqv h LEU 141 Cb 0.52 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1nqv h LEU 141 CO 0.02 0.78 0.27 -1.28 -0.34 0.00 0.00 178.44 177.89 1nqv h SER 142 N 1.29 1.07 -0.28 1.25 0.87 -1.13 -2.10 113.55 114.52 1nqv h SER 142 Ca 0.37 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1nqv h SER 142 Cb -0.09 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.57 1nqv h SER 142 CO -0.09 0.97 -0.13 0.00 -0.53 0.00 0.00 176.83 177.04 1nqv h ALA 143 N 1.17 1.03 -0.01 6.23 0.00 -0.38 -0.39 119.26 126.92 1nqv h ALA 143 Ca 0.25 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1nqv h ALA 143 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1nqv h ALA 143 CO -0.01 0.58 -0.02 0.82 0.00 0.00 0.00 179.25 180.61 1nqv h ILE 144 N 0.64 0.93 -0.47 0.00 2.04 -0.75 -0.16 117.51 119.75 1nqv h ILE 144 Ca 0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 1nqv h ILE 144 Cb 0.59 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1nqv h ILE 144 CO 0.04 0.00 0.20 -0.08 0.00 0.00 0.00 178.15 178.31 1nqv h GLU 145 N -0.04 0.68 -0.52 2.37 4.81 -1.07 -1.66 114.58 119.15 1nqv h GLU 145 Ca 0.01 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1nqv h GLU 145 Cb 0.06 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1nqv h GLU 145 CO -0.03 0.60 -0.06 0.52 -0.73 0.00 0.00 179.01 179.31 1nqv h MET 146 N 0.61 0.96 -0.44 1.92 2.86 -0.91 0.23 114.93 120.17 1nqv h MET 146 Ca 0.16 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1nqv h MET 146 Cb 0.16 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1nqv h MET 146 CO -0.02 1.00 0.24 0.00 1.06 0.00 0.00 176.91 179.20 1nqv h ALA 147 N 0.93 0.56 -0.47 6.32 0.00 -0.84 0.21 119.26 125.97 1nqv h ALA 147 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nqv h ALA 147 Cb 0.61 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1nqv h ALA 147 CO 0.04 0.08 0.22 -0.91 0.00 0.00 0.00 179.25 178.68 1nqv h ASN 148 N 0.57 0.62 -0.62 0.00 2.35 -1.13 -2.36 115.58 115.01 1nqv h ASN 148 Ca 0.15 -0.13 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1nqv h ASN 148 Cb 0.05 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.21 1nqv h ASN 148 CO -0.03 0.58 0.35 0.25 -1.65 0.00 0.00 177.43 176.94 1nqv h LEU 149 N 0.62 0.53 -1.78 1.61 5.85 -0.64 -2.17 115.31 119.34 1nqv h LEU 149 Ca 0.16 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1nqv h LEU 149 Cb 0.13 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1nqv h LEU 149 CO -0.02 0.36 -0.09 -0.26 -0.34 0.00 0.00 178.44 178.09 1nqv h PHE 150 N 0.66 0.00 -0.83 1.25 -1.00 -0.25 -0.97 116.94 115.80 1nqv h PHE 150 Ca 0.27 0.00 0.16 0.00 2.81 0.00 0.00 57.97 61.20 1nqv h PHE 150 Cb 0.13 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.63 1nqv h PHE 150 CO -0.08 0.09 0.55 0.87 -1.61 0.00 0.00 178.31 178.13 1nqv h LYS 151 N 0.00 0.50 0.00 1.51 1.57 -0.87 -1.28 116.57 118.00 1nqv h LYS 151 Ca -0.00 -0.03 -0.33 0.00 -1.87 0.00 0.00 60.65 58.42 1nqv h LYS 151 Cb 0.42 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 1nqv h LYS 151 CO 0.01 0.33 -2.25 -1.13 -0.57 0.00 0.00 179.45 175.85 1nqv n SER 152 N -4.51 0.98 0.07 0.86 3.41 -0.75 -4.66 113.62 109.01 1nqv n SER 152 Ca 0.16 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.62 1nqv n SER 152 Cb 0.54 0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 65.07 1nqv n SER 152 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1nqv h LEU 153 N 0.00 0.47 -0.48 1.04 5.85 -1.08 -3.53 115.31 117.57 1nqv h LEU 153 Ca -0.49 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1nqv h LEU 153 Cb 2.03 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.92 1nqv h LEU 153 CO 0.00 1.19 0.00 -1.14 -0.34 0.00 0.00 178.44 178.15