#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 4.59 -0.09 2.12 -0.21 -1.26 -5.03 119.66 119.78 1nqv s GLN 2 Ca 0.00 1.46 0.03 0.00 0.02 0.00 0.00 55.36 56.87 1nqv s GLN 2 Cb 0.00 -3.43 0.01 0.00 1.00 0.00 0.00 33.01 30.59 1nqv s GLN 2 CO 0.00 0.00 -0.17 0.42 -2.12 0.00 0.00 175.29 173.43 1nqv s ILE 3 N 0.73 1.52 -0.08 1.08 1.01 -1.26 -5.12 121.20 119.08 1nqv s ILE 3 Ca 0.51 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.52 1nqv s ILE 3 Cb -0.22 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1nqv s ILE 3 CO 0.29 0.44 -0.24 -0.31 0.00 0.00 0.00 174.94 175.12 1nqv s TYR 4 N 0.70 2.52 0.18 3.97 1.51 -1.26 -5.12 117.35 119.85 1nqv s TYR 4 Ca -0.13 -0.88 -0.14 0.00 -1.01 0.00 0.00 57.07 54.91 1nqv s TYR 4 Cb -0.16 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1nqv s TYR 4 CO 0.03 -0.32 0.43 -1.83 -1.11 0.00 0.00 175.55 172.75 1nqv s GLU 5 N 0.11 1.28 -0.13 -0.62 -1.05 -1.26 -5.12 118.70 111.91 1nqv s GLU 5 Ca -0.12 -0.96 -0.03 0.00 -0.15 0.00 0.00 54.97 53.72 1nqv s GLU 5 Cb -0.16 0.47 -0.03 0.00 -0.44 0.00 0.00 34.13 33.97 1nqv s GLU 5 CO 0.06 -0.51 -0.03 0.20 0.95 0.00 0.00 175.26 175.93 1nqv s GLY 6 N -2.90 1.74 1.03 -3.83 0.00 -1.26 -4.46 107.32 97.64 1nqv s GLY 6 Ca 0.11 -0.83 -0.16 0.00 0.00 0.00 0.00 44.72 43.85 1nqv s GLY 6 CO -0.03 -0.25 1.19 -1.59 0.00 0.00 0.00 173.10 172.42 1nqv s LYS 7 N -0.05 0.13 -0.02 2.90 -2.85 -1.26 -4.85 119.74 113.74 1nqv s LYS 7 Ca 0.02 -0.06 0.12 0.00 -1.00 0.00 0.00 55.97 55.06 1nqv s LYS 7 Cb -0.13 -1.75 0.37 0.00 -2.06 0.00 0.00 37.83 34.25 1nqv s LYS 7 CO 0.02 -2.82 1.30 1.28 0.10 0.00 0.00 175.35 175.24 1nqv n LEU 8 N -4.13 3.15 -4.78 2.77 4.77 -1.26 -4.03 117.00 113.49 1nqv n LEU 8 Ca 0.12 -2.10 -0.39 0.00 -0.03 0.00 0.00 56.01 53.61 1nqv n LEU 8 Cb 0.59 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1nqv n LEU 8 CO 0.49 0.75 0.28 0.42 -1.33 0.00 0.00 177.39 178.00 1nqv s THR 9 N -1.19 4.86 -0.60 -5.08 -4.23 -1.26 -4.87 115.64 103.27 1nqv s THR 9 Ca 0.28 1.22 0.15 0.00 -1.18 0.00 0.00 61.69 62.15 1nqv s THR 9 Cb 0.16 -3.91 0.48 0.00 1.34 0.00 0.00 72.50 70.57 1nqv s THR 9 CO 0.17 0.47 1.40 0.00 -0.54 0.00 0.00 174.62 176.12 1nqv n ALA 10 N 2.37 2.72 -1.65 3.99 0.00 0.63 -4.98 120.51 123.59 1nqv n ALA 10 Ca -0.08 -1.75 -0.49 0.00 0.00 0.00 0.00 53.44 51.12 1nqv n ALA 10 Cb 0.51 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 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 0.15 1.83 -0.44 0.00 2.13 -1.25 -1.53 120.64 121.52 1nqv n GLU 11 Ca 0.18 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1nqv n GLU 11 Cb 0.72 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 30.03 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 3.39 1.83 3.81 8.31 0.00 -1.26 -4.99 105.19 116.28 1nqv n GLY 12 Ca 0.19 0.00 -0.35 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 4.14 -0.11 0.99 1.43 -0.58 -5.06 118.68 119.49 1nqv s LEU 13 Ca 0.00 1.69 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 1nqv s LEU 13 Cb 0.00 -4.22 0.01 0.00 0.03 0.00 0.00 46.19 42.01 1nqv s LEU 13 CO 0.00 -0.20 -0.20 -0.13 0.23 0.00 0.00 176.35 176.05 1nqv s ARG 14 N -2.62 2.73 0.03 1.70 0.52 -1.26 -4.60 118.95 115.45 1nqv s ARG 14 Ca 0.55 -0.76 0.09 0.00 -0.52 0.00 0.00 55.73 55.09 1nqv s ARG 14 Cb -0.14 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 1nqv s ARG 14 CO 0.18 0.04 -0.25 -0.06 0.02 0.00 0.00 175.30 175.23 1nqv s PHE 15 N 0.68 2.25 -0.15 -0.53 0.40 -0.76 -0.48 117.98 119.39 1nqv s PHE 15 Ca -0.12 -0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 55.75 1nqv s PHE 15 Cb -0.16 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 1nqv s PHE 15 CO 0.02 0.08 0.04 0.20 0.70 0.00 0.00 175.22 176.27 1nqv s GLY 16 N -1.08 1.89 -0.12 4.36 0.00 -0.46 -0.31 107.32 111.59 1nqv s GLY 16 Ca 0.11 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 44.10 1nqv s GLY 16 CO 0.01 -0.13 -0.21 -0.42 0.00 0.00 0.00 173.10 172.35 1nqv s ILE 17 N -0.00 1.95 -0.22 0.90 1.01 0.28 -0.01 121.20 125.11 1nqv s ILE 17 Ca 0.05 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 1nqv s ILE 17 Cb -0.12 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 1nqv s ILE 17 CO 0.01 0.53 -0.05 -0.69 0.00 0.00 0.00 174.94 174.75 1nqv s VAL 18 N 0.65 3.29 -0.07 2.92 1.01 -0.43 -0.44 120.40 127.33 1nqv s VAL 18 Ca -0.12 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1nqv s VAL 18 Cb -0.16 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.72 1nqv s VAL 18 CO 0.02 0.40 -0.14 0.00 0.00 0.00 0.00 175.10 175.39 1nqv s ALA 19 N 1.46 1.39 0.44 5.51 0.00 0.01 -0.80 121.76 129.77 1nqv s ALA 19 Ca 0.05 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 1nqv s ALA 19 Cb -0.14 -0.59 -0.06 0.00 0.00 0.00 0.00 23.12 22.33 1nqv s ALA 19 CO -0.04 0.15 0.80 -1.54 0.00 0.00 0.00 175.76 175.14 1nqv s SER 20 N 0.55 6.48 0.11 0.00 1.04 -0.96 -1.90 113.70 119.01 1nqv s SER 20 Ca -0.14 1.16 0.18 0.00 0.48 0.00 0.00 55.95 57.63 1nqv s SER 20 Cb -0.15 -2.34 -0.09 0.00 0.10 0.00 0.00 66.02 63.54 1nqv s SER 20 CO 0.04 -0.47 0.91 0.03 0.98 0.00 0.00 173.24 174.74 1nqv h ARG 21 N 1.00 0.00 -6.78 4.02 3.08 0.04 -3.44 114.38 112.30 1nqv h ARG 21 Ca -0.47 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.03 1nqv h ARG 21 Cb 1.19 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.33 1nqv h ARG 21 CO 0.63 0.21 0.77 0.34 -1.07 0.00 0.00 179.97 180.85 1nqv n PHE 22 N -2.84 2.69 -3.68 3.04 7.35 0.05 -1.17 117.46 122.90 1nqv n PHE 22 Ca -0.07 0.36 -0.26 0.00 -0.76 0.00 0.00 57.45 56.73 1nqv n PHE 22 Cb 0.75 -2.54 0.06 0.00 0.35 0.00 0.00 39.48 38.11 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 1.65 -5.98 0.26 -2.13 3.02 -1.26 -4.47 115.26 106.35 1nqv n ASN 23 Ca 0.07 -0.60 0.12 0.00 -0.03 0.00 0.00 54.58 54.14 1nqv n ASN 23 Cb 0.36 -4.72 0.77 0.00 -0.61 0.00 0.00 39.78 35.58 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 -2.52 0.00 0.00 3.10 2.07 -1.44 -0.24 115.15 116.12 1nqv h HIS 24 Ca -0.57 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 56.92 1nqv h HIS 24 Cb 1.37 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.35 1nqv h HIS 24 CO 0.52 0.00 -0.11 0.00 -3.07 0.00 0.00 177.93 175.27 1nqv h ALA 25 N 1.97 1.44 0.03 6.11 0.00 -1.90 0.26 119.26 127.17 1nqv h ALA 25 Ca 0.02 -0.10 -0.38 0.00 0.00 0.00 0.00 54.91 54.45 1nqv h ALA 25 Cb 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1nqv h ALA 25 CO -0.00 0.14 -2.20 1.28 0.00 0.00 0.00 179.25 178.47 1nqv n LEU 26 N -3.86 2.49 -0.32 0.00 4.77 -0.22 -4.28 117.00 115.57 1nqv n LEU 26 Ca -0.02 0.15 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 1nqv n LEU 26 Cb 0.21 -0.95 0.19 0.00 -2.33 0.00 0.00 43.42 40.54 1nqv n LEU 26 CO 0.31 0.73 1.18 0.58 -1.33 0.00 0.00 177.39 178.87 1nqv h VAL 27 N -0.37 0.93 -0.52 4.08 2.07 -1.02 -1.38 116.25 120.04 1nqv h VAL 27 Ca -0.54 -0.31 0.11 0.00 0.82 0.00 0.00 66.70 66.78 1nqv h VAL 27 Cb 1.78 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1nqv h VAL 27 CO -0.15 0.16 0.36 0.44 0.02 0.00 0.00 177.57 178.41 1nqv h ASP 28 N 0.90 0.20 -0.08 0.57 3.32 -0.70 0.46 116.42 121.08 1nqv h ASP 28 Ca 0.43 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.32 1nqv h ASP 28 Cb 0.39 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1nqv h ASP 28 CO -0.25 0.12 -0.57 0.03 -1.72 0.00 0.00 179.24 176.85 1nqv h ARG 29 N 0.22 0.68 -0.83 3.56 2.47 -1.44 -2.38 114.38 116.65 1nqv h ARG 29 Ca 0.24 -0.44 -0.04 0.00 -1.26 0.00 0.00 59.98 58.48 1nqv h ARG 29 Cb 0.67 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.01 1nqv h ARG 29 CO -0.05 1.06 0.36 -0.07 0.56 0.00 0.00 179.97 181.84 1nqv h LEU 30 N 0.52 1.12 -0.42 3.04 3.38 -0.66 -1.48 115.31 120.81 1nqv h LEU 30 Ca 0.01 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1nqv h LEU 30 Cb 1.14 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1nqv h LEU 30 CO 0.11 0.96 -0.03 0.58 0.09 0.00 0.00 178.44 180.16 1nqv h VAL 31 N 1.19 1.27 -0.71 1.22 2.07 -1.07 -0.97 116.25 119.25 1nqv h VAL 31 Ca 0.28 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.79 1nqv h VAL 31 Cb 0.17 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1nqv h VAL 31 CO -0.03 0.37 0.39 -0.33 0.02 0.00 0.00 177.57 177.99 1nqv h GLU 32 N 0.59 0.68 -0.42 1.57 5.08 -1.27 -1.11 114.58 119.69 1nqv h GLU 32 Ca 0.11 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1nqv h GLU 32 Cb 0.53 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1nqv h GLU 32 CO 0.03 0.45 -0.02 0.78 -1.00 0.00 0.00 179.01 179.25 1nqv h GLY 33 N 0.70 0.82 0.95 -3.84 0.00 -0.89 -1.07 103.07 99.73 1nqv h GLY 33 Ca 0.33 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1nqv h GLY 33 CO -0.21 0.56 0.15 0.00 0.00 0.00 0.00 176.54 177.05 1nqv h ALA 34 N 0.89 0.35 -0.47 3.60 0.00 -0.81 -0.41 119.26 122.40 1nqv h ALA 34 Ca 0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1nqv h ALA 34 Cb 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1nqv h ALA 34 CO 0.02 -0.12 0.10 0.82 0.00 0.00 0.00 179.25 180.08 1nqv h ILE 35 N 0.33 1.24 -0.67 0.00 2.04 -1.10 -1.85 117.51 117.50 1nqv h ILE 35 Ca 0.10 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1nqv h ILE 35 Cb 0.06 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1nqv h ILE 35 CO -0.02 0.30 0.42 -0.78 0.00 0.00 0.00 178.15 178.08 1nqv h ASP 36 N 0.64 0.71 -0.28 1.72 3.58 -1.07 -0.12 116.42 121.61 1nqv h ASP 36 Ca 0.15 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 1nqv h ASP 36 Cb 0.35 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1nqv h ASP 36 CO 0.00 0.50 0.16 0.00 -2.88 0.00 0.00 179.24 177.03 1nqv h ILE 38 N 0.34 0.84 -0.40 0.00 2.04 -0.93 -2.33 117.51 117.07 1nqv h ILE 38 Ca 0.10 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1nqv h ILE 38 Cb 0.04 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1nqv h ILE 38 CO -0.02 0.03 0.15 0.58 0.00 0.00 0.00 178.15 178.89 1nqv h VAL 39 N -0.31 1.20 0.00 1.67 2.07 -0.89 -0.84 116.25 119.15 1nqv h VAL 39 Ca -0.03 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1nqv h VAL 39 Cb 0.24 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1nqv h VAL 39 CO 0.04 0.23 0.00 0.54 0.02 0.00 0.00 177.57 178.40 1nqv n ARG 40 N -4.63 0.10 -0.11 1.57 1.74 -0.41 -1.47 116.66 113.45 1nqv n ARG 40 Ca -0.00 0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.19 1nqv n ARG 40 Cb 0.16 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 30.41 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 -1.45 0.28 0.00 -1.55 8.25 -0.88 -4.93 115.22 114.94 1nqv n HIS 41 Ca 0.08 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1nqv n HIS 41 Cb 0.31 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 0.41 3.79 -1.41 0.00 -0.54 -0.27 105.19 108.30 1nqv n GLY 42 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.26 2.56 0.13 -0.02 0.00 -0.36 -3.79 107.32 104.57 1nqv s GLY 43 Ca 0.00 0.63 -0.16 0.00 0.00 0.00 0.00 44.72 45.19 1nqv s GLY 43 CO 0.00 0.97 0.56 0.50 0.00 0.00 0.00 173.10 175.12 1nqv s ARG 44 N -3.07 4.04 0.43 2.90 0.52 -1.26 -4.06 118.95 118.45 1nqv s ARG 44 Ca 0.65 0.56 0.20 0.00 -0.52 0.00 0.00 55.73 56.63 1nqv s ARG 44 Cb -0.17 -3.01 0.98 0.00 0.52 0.00 0.00 34.95 33.27 1nqv s ARG 44 CO 0.21 0.52 1.89 1.05 0.02 0.00 0.00 175.30 178.99 1nqv h GLU 45 N 3.81 0.00 0.00 3.54 -0.00 -1.95 -1.53 114.58 118.45 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 0.27 0.00 0.93 -0.00 0.00 0.00 179.01 180.86 1nqv h GLU 46 N 0.00 0.00 -0.50 1.06 3.07 -2.00 -1.93 114.58 114.28 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 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1nqv h GLU 46 CO 0.03 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.39 1nqv n ASP 47 N -2.97 2.67 -4.78 1.42 8.00 -0.58 -4.85 116.55 115.47 1nqv n ASP 47 Ca 0.00 -2.03 -0.36 0.00 0.71 0.00 0.00 54.79 53.11 1nqv n ASP 47 Cb 0.25 -0.34 -0.07 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.39 5.39 -0.20 0.53 1.01 -0.73 -1.82 121.20 124.00 1nqv s ILE 48 Ca 0.33 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 61.13 1nqv s ILE 48 Cb 0.17 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1nqv s ILE 48 CO 0.21 0.51 -0.08 -0.89 0.00 0.00 0.00 174.94 174.69 1nqv s THR 49 N -0.17 3.13 -0.19 2.92 2.01 0.57 -4.98 115.64 118.92 1nqv s THR 49 Ca 0.10 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.47 1nqv s THR 49 Cb -0.11 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1nqv s THR 49 CO 0.00 0.46 0.01 -0.22 -0.69 0.00 0.00 174.62 174.18 1nqv s LEU 50 N 1.24 3.36 -0.13 4.42 2.96 -1.26 -0.56 118.68 128.71 1nqv s LEU 50 Ca 0.03 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1nqv s LEU 50 Cb -0.14 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 1nqv s LEU 50 CO -0.03 0.09 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.21 1nqv s VAL 51 N 0.84 2.48 -0.11 1.68 1.01 0.41 -4.97 120.40 121.74 1nqv s VAL 51 Ca 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1nqv s VAL 51 Cb -0.14 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1nqv s VAL 51 CO 0.02 0.54 0.04 -0.13 0.00 0.00 0.00 175.10 175.56 1nqv s ARG 52 N 0.54 3.27 0.17 2.72 0.52 -1.26 -0.81 118.95 124.10 1nqv s ARG 52 Ca -0.11 -0.35 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1nqv s ARG 52 Cb -0.16 -2.95 -0.05 0.00 0.52 0.00 0.00 34.95 32.32 1nqv s ARG 52 CO 0.04 0.63 -0.01 0.14 0.02 0.00 0.00 175.30 176.12 1nqv s VAL 53 N -0.65 0.72 0.08 3.52 -7.23 -0.80 -4.94 120.40 111.11 1nqv s VAL 53 Ca 0.11 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 57.99 1nqv s VAL 53 Cb -0.12 -2.08 -0.17 0.00 0.56 0.00 0.00 36.38 34.57 1nqv s VAL 53 CO 0.02 -0.51 1.64 -0.65 -0.31 0.00 0.00 175.10 175.29 1nqv h PRO 54 N 2.71 -0.69 -4.36 4.82 0.11 -1.94 0.17 132.00 132.81 1nqv h PRO 54 Ca -0.37 0.05 -0.25 0.00 0.11 0.00 0.00 66.00 65.54 1nqv h PRO 54 Cb 1.20 0.16 -0.12 0.00 0.11 0.00 0.00 31.00 32.35 1nqv h PRO 54 CO 0.63 -0.46 -0.42 0.20 -0.21 0.00 0.00 178.00 177.74 1nqv s GLY 55 N -2.13 1.41 0.47 -0.55 0.00 -1.26 -0.77 107.32 104.49 1nqv s GLY 55 Ca -0.17 -1.56 0.16 0.00 0.00 0.00 0.00 44.72 43.16 1nqv s GLY 55 CO 0.63 -1.18 2.03 1.76 0.00 0.00 0.00 173.10 176.34 1nqv h SER 56 N 2.38 0.22 -0.85 1.64 0.02 -1.91 -0.99 113.55 114.05 1nqv h SER 56 Ca -0.31 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1nqv h SER 56 Cb 1.25 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 1nqv h SER 56 CO 0.44 0.14 0.55 -0.25 -1.14 0.00 0.00 176.83 176.57 1nqv h TRP 57 N 0.25 0.67 -0.00 3.45 2.91 -1.96 -1.82 115.95 119.44 1nqv h TRP 57 Ca 0.20 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.24 1nqv h TRP 57 Cb 0.47 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 1nqv h TRP 57 CO -0.00 0.24 -0.27 0.39 -1.03 0.00 0.00 178.44 177.76 1nqv n GLU 58 N -4.53 0.52 -0.08 2.65 4.71 -0.38 -4.27 120.64 119.26 1nqv n GLU 58 Ca 0.17 -0.27 -0.09 0.00 -0.01 0.00 0.00 57.16 56.95 1nqv n GLU 58 Cb 0.53 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.44 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 0.66 1.10 -0.07 -3.67 2.04 -1.30 -3.12 117.51 113.15 1nqv h ILE 59 Ca 0.00 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.64 1nqv h ILE 59 Cb 0.47 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1nqv h ILE 59 CO 0.00 0.10 -0.12 -0.65 0.00 0.00 0.00 178.15 177.48 1nqv h PRO 60 N 0.35 -0.17 -0.70 2.37 0.11 -1.76 0.07 132.00 132.28 1nqv h PRO 60 Ca 0.10 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1nqv h PRO 60 Cb 0.02 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.14 1nqv h PRO 60 CO -0.02 -0.11 0.40 -0.24 -0.21 0.00 0.00 178.00 177.82 1nqv h VAL 61 N -0.17 1.20 -0.31 3.15 3.04 -1.84 0.28 116.25 121.59 1nqv h VAL 61 Ca 0.07 -0.47 -0.15 0.00 -1.01 0.00 0.00 66.70 65.14 1nqv h VAL 61 Cb 0.27 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 29.78 1nqv h VAL 61 CO -0.18 0.22 -0.38 0.00 -1.01 0.00 0.00 177.57 176.22 1nqv h ALA 62 N 1.48 0.47 -0.65 3.17 0.00 -1.43 -2.98 119.26 119.32 1nqv h ALA 62 Ca 0.25 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1nqv h ALA 62 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1nqv h ALA 62 CO -0.04 0.56 0.43 0.00 0.00 0.00 0.00 179.25 180.19 1nqv h ALA 63 N 0.71 1.58 -0.91 0.00 0.00 -0.17 -1.64 119.26 118.83 1nqv h ALA 63 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nqv h ALA 63 Cb 0.97 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1nqv h ALA 63 CO 0.09 0.37 0.59 0.78 0.00 0.00 0.00 179.25 181.08 1nqv h GLY 64 N 0.83 1.30 1.16 0.00 0.00 -0.86 0.26 103.07 105.76 1nqv h GLY 64 Ca 0.25 -0.50 -0.20 0.00 0.00 0.00 0.00 47.33 46.87 1nqv h GLY 64 CO -0.06 0.49 -0.63 0.83 0.00 0.00 0.00 176.54 177.17 1nqv h GLU 65 N 1.24 0.86 -0.22 4.80 4.39 -1.18 -2.68 114.58 121.78 1nqv h GLU 65 Ca 0.33 -0.60 -0.06 0.00 0.34 0.00 0.00 59.36 59.37 1nqv h GLU 65 Cb -0.11 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1nqv h GLU 65 CO -0.07 1.22 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.84 1nqv h LEU 66 N 0.63 0.47 -2.17 1.33 3.38 -0.99 -2.99 115.31 114.98 1nqv h LEU 66 Ca -0.01 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1nqv h LEU 66 Cb 1.25 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1nqv h LEU 66 CO 0.14 0.77 -0.06 0.00 0.09 0.00 0.00 178.44 179.37 1nqv h ALA 67 N 0.72 1.24 0.00 1.53 0.00 -0.50 -1.17 119.26 121.08 1nqv h ALA 67 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nqv h ALA 67 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nqv h ALA 67 CO 0.03 0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.90 1nqv n ARG 68 N -3.51 0.19 -2.40 0.00 1.74 -1.01 -4.77 116.66 106.89 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 0.19 -1.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.82 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 4.41 0.50 5.56 1.02 -0.44 -4.90 119.74 122.72 1nqv s LYS 69 Ca 0.08 1.78 0.26 0.00 0.02 0.00 0.00 55.97 58.11 1nqv s LYS 69 Cb 0.12 -3.37 1.29 0.00 -0.52 0.00 0.00 37.83 35.35 1nqv s LYS 69 CO 0.49 -0.30 2.01 1.49 -0.92 0.00 0.00 175.35 178.11 1nqv h GLU 70 N 6.91 0.00 -0.69 1.68 4.81 -1.88 -2.38 114.58 123.03 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 0.82 0.16 0.00 -0.40 -0.73 0.00 0.00 179.01 178.86 1nqv n ASP 71 N -3.63 4.37 -4.26 1.04 5.75 -1.26 -4.77 116.55 113.80 1nqv n ASP 71 Ca -0.01 -2.65 -0.34 0.00 -0.01 0.00 0.00 54.79 51.78 1nqv n ASP 71 Cb 0.29 -0.62 -0.15 0.00 -1.03 0.00 0.00 41.12 39.60 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 2.78 -0.05 2.12 -1.09 -0.90 -4.78 121.20 117.05 1nqv s ILE 72 Ca 0.39 -0.71 0.13 0.00 -2.23 0.00 0.00 60.65 58.23 1nqv s ILE 72 Cb 0.30 -2.21 -0.14 0.00 -1.58 0.00 0.00 42.46 38.83 1nqv s ILE 72 CO 0.12 0.49 0.99 0.44 -1.23 0.00 0.00 174.94 175.75 1nqv h ASP 73 N 7.64 0.00 -4.90 3.58 3.32 -1.08 -3.46 116.42 121.52 1nqv h ASP 73 Ca -0.38 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 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 0.59 0.78 0.25 0.00 -1.72 0.00 0.00 179.24 179.15 1nqv s ALA 74 N -2.79 -1.72 -0.05 3.45 0.00 -1.23 -4.47 121.76 114.96 1nqv s ALA 74 Ca -0.01 0.99 0.05 0.00 0.00 0.00 0.00 51.96 52.99 1nqv s ALA 74 Cb 0.09 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 1nqv s ALA 74 CO 0.81 -0.55 -0.22 0.08 0.00 0.00 0.00 175.76 175.88 1nqv s VAL 75 N -2.35 2.35 -0.20 0.00 1.01 -0.75 -1.35 120.40 119.10 1nqv s VAL 75 Ca -0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1nqv s VAL 75 Cb -0.01 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1nqv s VAL 75 CO -0.01 0.57 -0.07 -0.63 0.00 0.00 0.00 175.10 174.96 1nqv s ILE 76 N -0.33 3.20 -0.22 2.22 1.01 0.99 -0.06 121.20 128.01 1nqv s ILE 76 Ca 0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 1nqv s ILE 76 Cb -0.12 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1nqv s ILE 76 CO 0.02 0.45 0.29 0.00 0.00 0.00 0.00 174.94 175.70 1nqv s ALA 77 N 1.30 3.58 -0.09 9.38 0.00 -0.59 -1.32 121.76 134.03 1nqv s ALA 77 Ca 0.04 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1nqv s ALA 77 Cb -0.14 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.50 1nqv s ALA 77 CO -0.03 -0.27 -0.10 0.42 0.00 0.00 0.00 175.76 175.79 1nqv s ILE 78 N 1.22 1.06 0.19 0.00 1.01 0.02 -0.07 121.20 124.64 1nqv s ILE 78 Ca 0.14 -0.37 -0.24 0.00 0.00 0.00 0.00 60.65 60.18 1nqv s ILE 78 Cb -0.14 -1.02 0.05 0.00 0.01 0.00 0.00 42.46 41.36 1nqv s ILE 78 CO 0.06 0.36 0.88 -0.83 0.00 0.00 0.00 174.94 175.41 1nqv s GLY 79 N 1.18 -0.21 -0.11 6.18 0.00 -1.15 -2.27 107.32 110.95 1nqv s GLY 79 Ca -0.05 0.03 -0.02 0.00 0.00 0.00 0.00 44.72 44.69 1nqv s GLY 79 CO -0.02 -0.01 -0.00 0.14 0.00 0.00 0.00 173.10 173.20 1nqv s VAL 80 N -3.48 0.52 -0.14 1.40 1.01 -1.26 -0.98 120.40 117.46 1nqv s VAL 80 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1nqv s VAL 80 Cb -0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1nqv s VAL 80 CO 0.03 0.17 -0.10 -0.76 0.00 0.00 0.00 175.10 174.44 1nqv s LEU 81 N 1.90 2.88 -0.06 3.92 1.43 -0.10 -4.69 118.68 123.96 1nqv s LEU 81 Ca 0.04 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1nqv s LEU 81 Cb -0.13 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1nqv s LEU 81 CO -0.06 0.16 -0.17 -0.63 0.23 0.00 0.00 176.35 175.88 1nqv s ILE 82 N 0.41 1.44 0.21 -0.59 1.01 -1.26 -0.29 121.20 122.13 1nqv s ILE 82 Ca -0.08 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 59.58 1nqv s ILE 82 Cb -0.15 -1.26 -0.10 0.00 0.01 0.00 0.00 42.46 40.95 1nqv s ILE 82 CO 0.04 0.42 1.51 -0.60 0.00 0.00 0.00 174.94 176.32 1nqv s ARG 83 N 0.34 4.23 0.00 2.79 3.52 -0.28 -4.92 118.95 124.63 1nqv s ARG 83 Ca -0.11 2.35 0.00 0.00 -0.13 0.00 0.00 55.73 57.83 1nqv s ARG 83 Cb -0.14 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1nqv s ARG 83 CO 0.04 -0.53 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 1nqv n GLY 84 N 2.99 1.55 0.16 8.12 0.00 -1.26 -4.85 105.19 111.89 1nqv n GLY 84 Ca 0.10 -1.92 0.05 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.18 0.78 -1.40 4.61 0.00 -2.01 -3.47 119.26 116.60 1nqv h ALA 85 Ca 0.00 -0.36 -0.54 0.00 0.00 0.00 0.00 54.91 54.01 1nqv h ALA 85 Cb 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1nqv h ALA 85 CO 0.00 0.50 -0.42 0.95 0.00 0.00 0.00 179.25 180.29 1nqv s THR 86 N -3.14 2.36 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.37 1nqv s THR 86 Ca 0.03 -1.51 0.05 0.00 -1.18 0.00 0.00 61.69 59.08 1nqv s THR 86 Cb 0.08 -2.87 0.13 0.00 1.34 0.00 0.00 72.50 71.18 1nqv s THR 86 CO 0.72 0.00 0.83 -0.81 -0.54 0.00 0.00 174.62 174.82 1nqv n PRO 87 N -1.45 0.61 -0.26 3.99 -0.04 -1.26 -3.96 135.00 132.63 1nqv n PRO 87 Ca 0.01 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.51 1nqv n PRO 87 Cb 0.63 -1.12 0.13 0.00 -0.04 0.00 0.00 33.50 33.11 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 -0.64 0.54 2.76 -1.95 -0.27 115.15 115.39 1nqv h HIS 88 Ca 0.00 0.06 0.12 0.00 -2.20 0.00 0.00 60.37 58.35 1nqv h HIS 88 Cb 0.00 0.21 -0.09 0.00 1.55 0.00 0.00 27.41 29.08 1nqv h HIS 88 CO 0.00 -0.28 0.19 0.35 -1.30 0.00 0.00 177.93 176.89 1nqv h PHE 89 N 0.05 0.32 -0.28 5.26 3.57 -1.92 -1.86 116.94 122.09 1nqv h PHE 89 Ca 0.40 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.93 1nqv h PHE 89 Cb 0.68 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1nqv h PHE 89 CO -0.50 0.02 0.18 -0.44 -2.23 0.00 0.00 178.31 175.34 1nqv h ASP 90 N 0.34 0.34 -0.27 0.41 5.19 -1.35 0.20 116.42 121.27 1nqv h ASP 90 Ca 0.34 -0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.58 1nqv h ASP 90 Cb 0.49 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 1nqv h ASP 90 CO -0.38 0.27 -0.32 1.88 -3.12 0.00 0.00 179.24 177.56 1nqv h TYR 91 N 0.37 0.93 -0.13 4.55 0.05 -1.13 -0.22 116.97 121.39 1nqv h TYR 91 Ca 0.10 -0.25 -0.07 0.00 0.05 0.00 0.00 58.73 58.57 1nqv h TYR 91 Cb -0.01 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.52 1nqv h TYR 91 CO -0.05 1.01 -0.18 0.82 -1.05 0.00 0.00 178.16 178.71 1nqv h ILE 92 N 0.66 1.36 -0.71 -2.88 2.04 -1.14 -1.98 117.51 114.88 1nqv h ILE 92 Ca 0.07 -1.40 0.04 0.00 1.00 0.00 0.00 64.86 64.56 1nqv h ILE 92 Cb 0.87 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 1nqv h ILE 92 CO 0.08 0.41 0.44 0.00 0.00 0.00 0.00 178.15 179.07 1nqv h ALA 93 N 0.57 0.93 -0.41 1.87 0.00 -0.55 0.89 119.26 122.55 1nqv h ALA 93 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nqv h ALA 93 Cb 0.74 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1nqv h ALA 93 CO 0.04 0.20 0.20 0.77 0.00 0.00 0.00 179.25 180.46 1nqv h SER 94 N 0.84 0.54 0.61 0.00 0.02 -1.00 -2.22 113.55 112.34 1nqv h SER 94 Ca 0.29 -0.13 -0.19 0.00 -0.84 0.00 0.00 61.79 60.92 1nqv h SER 94 Cb 0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1nqv h SER 94 CO -0.12 0.52 -0.85 -0.33 -1.14 0.00 0.00 176.83 174.91 1nqv h GLU 95 N 0.53 0.17 -0.35 3.45 4.39 -0.86 -1.02 114.58 120.89 1nqv h GLU 95 Ca 0.14 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1nqv h GLU 95 Cb 0.12 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1nqv h GLU 95 CO -0.02 0.92 -0.07 -0.24 -1.16 0.00 0.00 179.01 178.44 1nqv h VAL 96 N 0.09 1.27 -0.35 3.13 3.04 -0.74 -0.90 116.25 121.80 1nqv h VAL 96 Ca -0.04 -1.12 -0.09 0.00 -1.01 0.00 0.00 66.70 64.44 1nqv h VAL 96 Cb 1.47 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 32.02 1nqv h VAL 96 CO 0.13 0.37 -0.14 0.77 -1.01 0.00 0.00 177.57 177.69 1nqv h SER 97 N 0.46 0.72 -0.47 3.17 4.64 -1.39 -2.06 113.55 118.61 1nqv h SER 97 Ca 0.09 -0.39 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1nqv h SER 97 Cb 0.57 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1nqv h SER 97 CO 0.03 0.95 0.23 0.50 -0.87 0.00 0.00 176.83 177.67 1nqv h LYS 98 N 0.49 0.68 -0.19 4.77 3.64 -1.14 -1.71 116.57 123.11 1nqv h LYS 98 Ca 0.08 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1nqv h LYS 98 Cb 0.67 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1nqv h LYS 98 CO 0.04 0.58 0.11 0.78 -2.27 0.00 0.00 179.45 178.69 1nqv h GLY 99 N 0.62 0.28 0.91 5.01 0.00 -1.10 0.26 103.07 109.06 1nqv h GLY 99 Ca 0.16 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.39 1nqv h GLY 99 CO -0.02 0.12 0.31 1.41 0.00 0.00 0.00 176.54 178.36 1nqv h LEU 100 N 0.21 0.52 -0.47 3.11 3.38 -1.31 0.49 115.31 121.23 1nqv h LEU 100 Ca 0.07 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1nqv h LEU 100 Cb 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1nqv h LEU 100 CO -0.01 0.37 0.10 0.00 0.09 0.00 0.00 178.44 178.98 1nqv h ALA 101 N 1.21 0.63 -0.47 1.53 0.00 -1.02 -1.82 119.26 119.32 1nqv h ALA 101 Ca 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nqv h ALA 101 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1nqv h ALA 101 CO -0.08 0.33 0.27 -0.91 0.00 0.00 0.00 179.25 178.87 1nqv h ASN 102 N 0.65 0.57 -0.82 0.00 -0.26 -0.72 -2.59 115.58 112.41 1nqv h ASN 102 Ca 0.15 -0.07 0.01 0.00 -0.56 0.00 0.00 56.30 55.82 1nqv h ASN 102 Cb 0.36 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.43 1nqv h ASN 102 CO 0.01 0.48 0.54 -0.07 -1.06 0.00 0.00 177.43 177.32 1nqv h LEU 103 N 0.62 0.94 -0.79 1.61 3.38 -0.71 -0.07 115.31 120.29 1nqv h LEU 103 Ca 0.17 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1nqv h LEU 103 Cb 0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1nqv h LEU 103 CO -0.03 0.68 0.51 -1.28 0.09 0.00 0.00 178.44 178.41 1nqv h SER 104 N 1.11 0.85 -0.21 -0.43 0.87 -1.03 0.73 113.55 115.44 1nqv h SER 104 Ca 0.30 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.69 1nqv h SER 104 Cb -0.13 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.64 1nqv h SER 104 CO -0.06 0.60 -0.49 -0.07 -0.53 0.00 0.00 176.83 176.27 1nqv h LEU 105 N 1.01 0.79 -0.63 2.23 3.38 -1.11 0.12 115.31 121.09 1nqv h LEU 105 Ca 0.31 -0.56 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 1nqv h LEU 105 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1nqv h LEU 105 CO -0.10 1.21 0.05 -0.08 0.09 0.00 0.00 178.44 179.61 1nqv h GLU 106 N 0.40 1.09 -0.02 1.13 4.81 -0.71 -2.90 114.58 118.38 1nqv h GLU 106 Ca -0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1nqv h GLU 106 Cb 1.10 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1nqv h GLU 106 CO 0.11 1.03 -0.08 1.28 -0.73 0.00 0.00 179.01 180.61 1nqv n LEU 107 N -4.21 1.90 -3.87 1.64 4.77 0.22 -4.95 117.00 112.49 1nqv n LEU 107 Ca 0.03 -0.63 -0.24 0.00 -0.03 0.00 0.00 56.01 55.15 1nqv n LEU 107 Cb 0.32 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1nqv n LEU 107 CO 0.44 0.32 -0.18 0.54 -1.33 0.00 0.00 177.39 177.17 1nqv n ARG 108 N 0.36 -3.72 -3.77 3.23 1.74 0.36 -4.97 116.66 109.88 1nqv n ARG 108 Ca 0.16 0.47 -0.13 0.00 -0.77 0.00 0.00 57.85 57.58 1nqv n ARG 108 Cb 0.43 -4.71 -0.12 0.00 -1.02 0.00 0.00 32.46 27.05 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 -6.37 0.28 0.25 5.56 2.20 -0.88 -5.05 119.74 115.72 1nqv s LYS 109 Ca 0.01 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.71 1nqv s LYS 109 Cb -0.00 0.09 -0.10 0.00 -1.51 0.00 0.00 37.83 36.31 1nqv s LYS 109 CO 0.87 -0.06 1.44 -2.14 -0.36 0.00 0.00 175.35 175.10 1nqv s PRO 110 N 0.36 4.26 -0.12 4.03 0.02 -1.26 -4.49 135.00 137.81 1nqv s PRO 110 Ca -0.02 2.31 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 1nqv s PRO 110 Cb -0.03 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.41 1nqv s PRO 110 CO -0.02 -0.43 -0.02 0.42 -0.33 0.00 0.00 177.00 176.63 1nqv s ILE 111 N -0.01 0.68 0.32 2.83 1.01 -1.26 -1.82 121.20 122.96 1nqv s ILE 111 Ca 0.59 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 61.09 1nqv s ILE 111 Cb -0.42 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1nqv s ILE 111 CO 0.43 0.19 0.47 0.42 0.00 0.00 0.00 174.94 176.45 1nqv s THR 112 N 1.83 4.39 -0.48 2.92 -4.23 0.92 -4.93 115.64 116.06 1nqv s THR 112 Ca 0.03 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1nqv s THR 112 Cb -0.14 -3.54 0.12 0.00 1.34 0.00 0.00 72.50 70.29 1nqv s THR 112 CO -0.07 -0.23 0.22 0.12 -0.54 0.00 0.00 174.62 174.13 1nqv s PHE 113 N -2.17 3.42 -0.47 3.99 5.36 -1.26 -1.54 117.98 125.31 1nqv s PHE 113 Ca 0.43 -2.98 0.03 0.00 -0.96 0.00 0.00 56.93 53.44 1nqv s PHE 113 Cb -0.09 -2.95 0.46 0.00 -0.34 0.00 0.00 43.02 40.09 1nqv s PHE 113 CO 0.31 -0.84 1.60 0.41 -1.46 0.00 0.00 175.22 175.25 1nqv n GLY 114 N 3.64 6.11 3.56 13.12 0.00 0.91 -4.72 105.19 127.80 1nqv n GLY 114 Ca 0.04 -2.45 -0.38 0.00 0.00 0.00 0.00 46.02 43.23 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 -4.67 5.11 0.15 1.61 1.01 -1.22 -2.93 120.40 119.46 1nqv s VAL 115 Ca 0.58 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 1nqv s VAL 115 Cb 0.46 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 33.33 1nqv s VAL 115 CO 0.02 0.25 0.92 -0.63 0.00 0.00 0.00 175.10 175.66 1nqv s ILE 116 N 1.73 4.39 -0.47 2.22 1.01 -0.15 -4.92 121.20 125.00 1nqv s ILE 116 Ca 0.07 2.01 0.03 0.00 0.00 0.00 0.00 60.65 62.75 1nqv s ILE 116 Cb -0.16 -4.29 0.14 0.00 0.01 0.00 0.00 42.46 38.16 1nqv s ILE 116 CO 0.10 0.39 0.26 0.42 0.00 0.00 0.00 174.94 176.11 1nqv s THR 117 N -0.43 1.72 -0.04 2.92 -4.23 -1.26 -0.92 115.64 113.41 1nqv s THR 117 Ca 0.44 -2.84 -0.01 0.00 -1.18 0.00 0.00 61.69 58.10 1nqv s THR 117 Cb -0.24 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1nqv s THR 117 CO 0.30 -0.89 0.04 0.00 -0.54 0.00 0.00 174.62 173.52 1nqv s ALA 118 N 0.09 3.43 0.05 3.99 0.00 0.60 -5.00 121.76 124.92 1nqv s ALA 118 Ca 0.18 -0.86 0.13 0.00 0.00 0.00 0.00 51.96 51.42 1nqv s ALA 118 Cb -0.22 -1.51 0.16 0.00 0.00 0.00 0.00 23.12 21.55 1nqv s ALA 118 CO -0.02 0.64 1.48 -0.44 0.00 0.00 0.00 175.76 177.43 1nqv h ASP 119 N 4.54 0.00 -4.42 0.00 3.32 -1.94 -0.73 116.42 117.18 1nqv h ASP 119 Ca -0.50 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.28 1nqv h ASP 119 Cb 1.19 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 1nqv h ASP 119 CO 0.58 0.63 -0.71 0.42 -1.72 0.00 0.00 179.24 178.44 1nqv s THR 120 N -3.12 0.84 0.24 0.35 -4.23 -1.26 -4.02 115.64 104.45 1nqv s THR 120 Ca 0.02 -1.84 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 1nqv s THR 120 Cb 0.10 -1.57 0.23 0.00 1.34 0.00 0.00 72.50 72.60 1nqv s THR 120 CO 0.76 -0.74 1.89 0.25 -0.54 0.00 0.00 174.62 176.24 1nqv h LEU 121 N 3.17 1.12 -0.53 4.79 5.85 -1.92 -2.18 115.31 125.60 1nqv h LEU 121 Ca -0.36 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.35 1nqv h LEU 121 Cb 1.18 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1nqv h LEU 121 CO 0.60 0.85 0.27 -0.08 -0.34 0.00 0.00 178.44 179.74 1nqv h GLU 122 N 1.29 0.50 -0.67 1.25 4.81 -1.99 0.24 114.58 120.01 1nqv h GLU 122 Ca 0.34 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1nqv h GLU 122 Cb -0.07 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1nqv h GLU 122 CO -0.07 0.33 0.37 1.96 -0.73 0.00 0.00 179.01 180.88 1nqv h GLN 123 N 0.52 0.92 -0.19 1.92 4.20 -1.87 -0.99 115.11 119.62 1nqv h GLN 123 Ca 0.24 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1nqv h GLN 123 Cb 0.16 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1nqv h GLN 123 CO -0.17 0.68 0.01 0.00 -0.67 0.00 0.00 178.83 178.67 1nqv h ALA 124 N 1.48 0.26 -0.61 3.87 0.00 -0.66 -2.85 119.26 120.74 1nqv h ALA 124 Ca 0.24 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1nqv h ALA 124 Cb 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1nqv h ALA 124 CO -0.04 -0.03 0.36 0.82 0.00 0.00 0.00 179.25 180.35 1nqv h ILE 125 N 0.10 1.02 -0.91 0.00 2.04 -0.62 -2.03 117.51 117.11 1nqv h ILE 125 Ca 0.06 -0.23 0.18 0.00 1.00 0.00 0.00 64.86 65.87 1nqv h ILE 125 Cb 0.38 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 1nqv h ILE 125 CO 0.01 0.12 0.59 -0.33 0.00 0.00 0.00 178.15 178.54 1nqv h GLU 126 N 0.68 0.51 -0.13 2.37 5.08 -1.08 -2.36 114.58 119.66 1nqv h GLU 126 Ca 0.26 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1nqv h GLU 126 Cb 0.09 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1nqv h GLU 126 CO -0.14 0.34 0.00 0.54 -1.00 0.00 0.00 179.01 178.75 1nqv n ARG 127 N -4.56 2.27 -2.35 2.33 1.74 -0.81 -0.45 116.66 114.83 1nqv n ARG 127 Ca 0.19 -1.87 -0.30 0.00 -0.77 0.00 0.00 57.85 55.10 1nqv n ARG 127 Cb 0.62 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.59 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 1.20 5.40 -0.05 7.54 0.00 -0.89 -1.65 120.51 132.06 1nqv n ALA 128 Ca 0.16 -4.28 0.00 0.00 0.00 0.00 0.00 53.44 49.32 1nqv n ALA 128 Cb 0.56 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.49 0.97 0.00 0.00 0.00 0.55 -4.72 105.19 101.49 1nqv n GLY 129 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.05 0.00 0.24 2.61 -2.24 -1.20 -4.93 114.28 106.70 1nqv n THR 130 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1nqv n THR 130 Cb 0.00 0.00 0.59 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.79 -0.78 2.10 -1.83 -1.62 116.57 113.65 1nqv h LYS 131 Ca 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 1nqv h LYS 131 Cb 0.00 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.14 1nqv h LYS 131 CO 0.00 0.19 0.38 0.72 -2.00 0.00 0.00 179.45 178.74 1nqv n HIS 132 N -3.78 2.53 -3.64 0.07 8.25 0.40 -5.04 115.22 114.01 1nqv n HIS 132 Ca -0.02 -1.47 0.00 0.00 -0.26 0.00 0.00 57.72 55.98 1nqv n HIS 132 Cb 0.30 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.65 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 -0.62 -1.59 2.77 -1.41 0.00 -0.61 -4.60 105.19 99.13 1nqv n GLY 133 Ca 0.47 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 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 3.10 0.59 1.61 3.84 -1.25 -0.33 114.94 118.50 1nqv s ASN 134 Ca 0.00 -0.90 0.38 0.00 0.21 0.00 0.00 52.86 52.55 1nqv s ASN 134 Cb 0.00 -0.71 1.76 0.00 -0.55 0.00 0.00 41.25 41.75 1nqv s ASN 134 CO 0.00 -0.29 2.13 0.11 -2.79 0.00 0.00 177.10 176.25 1nqv h LYS 135 N 8.19 0.00 -0.16 0.43 1.79 -1.63 -1.48 116.57 123.71 1nqv h LYS 135 Ca -0.16 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.24 1nqv h LYS 135 Cb 1.11 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1nqv h LYS 135 CO 0.35 0.00 -0.17 0.78 -1.08 0.00 0.00 179.45 179.34 1nqv h GLY 136 N 1.28 0.43 0.85 3.86 0.00 -1.82 -1.38 103.07 106.30 1nqv h GLY 136 Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 46.91 1nqv h GLY 136 CO 0.00 0.40 0.28 -0.25 0.00 0.00 0.00 176.54 176.97 1nqv h TRP 137 N 0.03 0.51 -0.21 5.60 7.01 -1.54 -0.52 115.95 126.83 1nqv h TRP 137 Ca 0.02 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1nqv h TRP 137 Cb 0.71 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 1nqv h TRP 137 CO 0.08 0.29 0.12 0.93 -2.79 0.00 0.00 178.44 177.07 1nqv h GLU 138 N 0.55 0.29 -0.14 2.65 5.08 -1.27 -0.37 114.58 121.38 1nqv h GLU 138 Ca 0.20 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1nqv h GLU 138 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1nqv h GLU 138 CO -0.10 0.26 -0.32 0.00 -1.00 0.00 0.00 179.01 177.86 1nqv h ALA 139 N 1.01 1.21 -0.38 3.43 0.00 -1.07 -1.38 119.26 122.08 1nqv h ALA 139 Ca 0.08 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1nqv h ALA 139 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nqv h ALA 139 CO -0.01 0.52 -0.11 0.00 0.00 0.00 0.00 179.25 179.65 1nqv h ALA 140 N 1.44 0.53 -0.80 0.00 0.00 -0.82 -1.59 119.26 118.01 1nqv h ALA 140 Ca 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1nqv h ALA 140 Cb 0.68 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1nqv h ALA 140 CO 0.05 0.40 0.46 1.25 0.00 0.00 0.00 179.25 181.41 1nqv h LEU 141 N 0.55 0.99 -0.77 0.00 5.85 -0.67 -0.61 115.31 120.64 1nqv h LEU 141 Ca 0.09 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1nqv h LEU 141 Cb 0.63 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1nqv h LEU 141 CO 0.04 0.78 0.27 -1.28 -0.34 0.00 0.00 178.44 177.91 1nqv h SER 142 N 1.12 1.09 -0.12 1.25 0.87 -1.14 -2.17 113.55 114.44 1nqv h SER 142 Ca 0.29 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 1nqv h SER 142 Cb 0.00 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1nqv h SER 142 CO -0.05 0.99 -0.27 0.00 -0.53 0.00 0.00 176.83 176.97 1nqv h ALA 143 N 1.14 0.99 0.05 6.23 0.00 -0.58 0.78 119.26 127.87 1nqv h ALA 143 Ca 0.25 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1nqv h ALA 143 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1nqv h ALA 143 CO -0.01 0.60 -0.07 0.82 0.00 0.00 0.00 179.25 180.58 1nqv h ILE 144 N 0.51 0.84 -0.43 0.00 2.04 -0.93 -0.30 117.51 119.24 1nqv h ILE 144 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1nqv h ILE 144 Cb 0.73 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1nqv h ILE 144 CO 0.06 0.00 0.27 -0.08 0.00 0.00 0.00 178.15 178.39 1nqv h GLU 145 N -0.15 0.57 -0.46 2.37 4.81 -1.05 -1.38 114.58 119.30 1nqv h GLU 145 Ca 0.01 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 1nqv h GLU 145 Cb 0.15 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1nqv h GLU 145 CO -0.04 0.41 -0.23 0.52 -0.73 0.00 0.00 179.01 178.94 1nqv h MET 146 N 0.57 0.97 -0.59 1.92 2.86 -0.68 -0.39 114.93 119.59 1nqv h MET 146 Ca 0.15 -0.43 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1nqv h MET 146 Cb -0.02 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1nqv h MET 146 CO -0.03 1.10 0.28 0.00 1.06 0.00 0.00 176.91 179.32 1nqv h ALA 147 N 0.85 0.76 -0.70 6.32 0.00 -0.87 0.18 119.26 125.81 1nqv h ALA 147 Ca 0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1nqv h ALA 147 Cb 0.81 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1nqv h ALA 147 CO 0.07 0.33 0.23 -0.91 0.00 0.00 0.00 179.25 178.97 1nqv h ASN 148 N 0.81 1.01 -0.62 0.00 2.35 -1.07 -2.51 115.58 115.55 1nqv h ASN 148 Ca 0.20 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1nqv h ASN 148 Cb 0.13 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1nqv h ASN 148 CO -0.02 0.94 0.35 0.25 -1.65 0.00 0.00 177.43 177.29 1nqv h LEU 149 N 1.02 0.78 -1.75 1.61 5.85 -0.68 -2.50 115.31 119.64 1nqv h LEU 149 Ca 0.23 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1nqv h LEU 149 Cb 0.29 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1nqv h LEU 149 CO -0.01 0.64 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.44 1nqv h PHE 150 N 0.85 0.00 -0.83 1.25 -1.00 -0.40 -0.85 116.94 115.96 1nqv h PHE 150 Ca 0.22 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.09 1nqv h PHE 150 Cb 0.04 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.54 1nqv h PHE 150 CO -0.01 0.03 0.54 0.87 -1.61 0.00 0.00 178.31 178.13 1nqv h LYS 151 N 0.00 0.79 0.00 1.51 1.57 -1.01 -1.77 116.57 117.66 1nqv h LYS 151 Ca -0.00 -0.05 -0.35 0.00 -1.87 0.00 0.00 60.65 58.38 1nqv h LYS 151 Cb 0.43 -0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 1nqv h LYS 151 CO 0.00 0.52 -2.33 -1.13 -0.57 0.00 0.00 179.45 175.94 1nqv n SER 152 N -4.51 0.06 0.09 0.86 3.41 -0.81 -4.63 113.62 108.08 1nqv n SER 152 Ca 0.14 0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.64 1nqv n SER 152 Cb 0.30 0.96 -0.08 0.00 -0.26 0.00 0.00 64.21 65.12 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 0.39 -0.63 1.04 5.85 -1.12 -3.53 115.31 117.31 1nqv h LEU 153 Ca -0.52 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1nqv h LEU 153 Cb 2.20 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1nqv h LEU 153 CO 0.03 1.22 0.00 -1.14 -0.34 0.00 0.00 178.44 178.21