#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqx s GLN 2 N 0.00 4.37 -0.10 2.12 -0.21 -1.26 -5.05 119.66 119.53 1nqx s GLN 2 Ca 0.00 0.88 0.03 0.00 0.02 0.00 0.00 55.36 56.29 1nqx s GLN 2 Cb 0.00 -3.50 0.01 0.00 1.00 0.00 0.00 33.01 30.52 1nqx s GLN 2 CO 0.00 -0.09 -0.18 0.42 -2.12 0.00 0.00 175.29 173.32 1nqx s ILE 3 N 1.34 1.66 -0.09 1.08 1.01 -1.26 -5.12 121.20 119.83 1nqx s ILE 3 Ca 0.36 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1nqx s ILE 3 Cb -0.17 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 1nqx s ILE 3 CO 0.15 0.47 -0.19 -0.31 0.00 0.00 0.00 174.94 175.07 1nqx s TYR 4 N 0.64 2.63 0.15 3.97 2.02 -1.26 -5.13 117.35 120.37 1nqx s TYR 4 Ca -0.14 -0.67 -0.15 0.00 -0.37 0.00 0.00 57.07 55.74 1nqx s TYR 4 Cb -0.16 -1.71 0.03 0.00 -0.40 0.00 0.00 41.96 39.72 1nqx s TYR 4 CO 0.04 -0.19 0.41 -1.83 -1.57 0.00 0.00 175.55 172.41 1nqx s GLU 5 N 0.01 1.16 -0.16 -0.62 -1.05 -1.26 -5.11 118.70 111.67 1nqx s GLU 5 Ca -0.07 -0.83 -0.06 0.00 -0.15 0.00 0.00 54.97 53.86 1nqx s GLU 5 Cb -0.15 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 33.97 1nqx s GLU 5 CO 0.05 -0.46 0.06 0.20 0.95 0.00 0.00 175.26 176.05 1nqx s GLY 6 N -2.85 1.92 1.02 -3.83 0.00 -1.26 -4.42 107.32 97.90 1nqx s GLY 6 Ca 0.07 -0.74 -0.16 0.00 0.00 0.00 0.00 44.72 43.89 1nqx s GLY 6 CO -0.08 -0.10 1.20 0.54 0.00 0.00 0.00 173.10 174.67 1nqx s LYS 7 N 0.01 0.20 -0.04 2.90 1.02 -1.26 -4.86 119.74 117.71 1nqx s LYS 7 Ca 0.06 -0.09 0.11 0.00 0.02 0.00 0.00 55.97 56.07 1nqx s LYS 7 Cb -0.12 -1.77 0.33 0.00 -0.52 0.00 0.00 37.83 35.76 1nqx s LYS 7 CO 0.01 -2.76 1.27 1.28 -0.92 0.00 0.00 175.35 174.23 1nqx n LEU 8 N -4.08 3.07 -4.75 3.17 4.77 -1.26 -4.15 117.00 113.77 1nqx n LEU 8 Ca 0.12 -2.25 -0.40 0.00 -0.03 0.00 0.00 56.01 53.46 1nqx n LEU 8 Cb 0.59 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1nqx n LEU 8 CO 0.49 0.70 0.41 0.42 -1.33 0.00 0.00 177.39 178.08 1nqx s THR 9 N -1.45 4.81 -0.78 -5.08 -4.23 -1.26 -4.85 115.64 102.80 1nqx s THR 9 Ca 0.26 1.50 0.14 0.00 -1.18 0.00 0.00 61.69 62.41 1nqx s THR 9 Cb 0.16 -4.06 0.44 0.00 1.34 0.00 0.00 72.50 70.39 1nqx s THR 9 CO 0.13 0.37 1.37 0.00 -0.54 0.00 0.00 174.62 175.94 1nqx n ALA 10 N 2.87 2.54 -1.65 3.99 0.00 0.71 -4.97 120.51 124.01 1nqx n ALA 10 Ca -0.04 -1.55 -0.49 0.00 0.00 0.00 0.00 53.44 51.37 1nqx n ALA 10 Cb 0.51 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1nqx n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1nqx n GLU 11 N 0.35 1.73 -0.71 0.00 2.13 -1.23 -1.50 120.64 121.42 1nqx n GLU 11 Ca 0.17 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1nqx n GLU 11 Cb 0.63 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.99 1nqx n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nqx n GLY 12 N 3.26 1.50 3.86 8.31 0.00 -1.26 -4.99 105.19 115.87 1nqx n GLY 12 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1nqx n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqx s LEU 13 N 0.00 3.92 -0.09 0.99 1.43 -0.56 -5.05 118.68 119.32 1nqx s LEU 13 Ca 0.00 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 1nqx s LEU 13 Cb 0.00 -4.09 0.02 0.00 0.03 0.00 0.00 46.19 42.14 1nqx s LEU 13 CO 0.00 -0.32 -0.13 -0.13 0.23 0.00 0.00 176.35 176.00 1nqx s ARG 14 N -3.46 1.89 0.04 1.70 0.52 -1.26 -4.62 118.95 113.76 1nqx s ARG 14 Ca 0.53 -0.45 0.09 0.00 -0.52 0.00 0.00 55.73 55.38 1nqx s ARG 14 Cb -0.10 -1.63 -0.03 0.00 0.52 0.00 0.00 34.95 33.71 1nqx s ARG 14 CO 0.25 -0.05 -0.25 -0.06 0.02 0.00 0.00 175.30 175.21 1nqx s PHE 15 N 0.93 2.21 -0.12 -0.53 0.40 -0.55 -0.64 117.98 119.68 1nqx s PHE 15 Ca -0.09 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 1nqx s PHE 15 Cb -0.15 -1.33 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 1nqx s PHE 15 CO 0.00 0.10 0.03 0.20 0.70 0.00 0.00 175.22 176.25 1nqx s GLY 16 N -1.16 1.88 -0.10 4.36 0.00 -0.41 -0.77 107.32 111.12 1nqx s GLY 16 Ca 0.11 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 44.09 1nqx s GLY 16 CO 0.02 -0.35 -0.22 -0.42 0.00 0.00 0.00 173.10 172.13 1nqx s ILE 17 N -0.47 1.91 -0.20 0.90 1.01 0.38 -0.01 121.20 124.73 1nqx s ILE 17 Ca 0.09 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1nqx s ILE 17 Cb -0.12 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1nqx s ILE 17 CO 0.02 0.53 -0.08 -0.69 0.00 0.00 0.00 174.94 174.71 1nqx s VAL 18 N 0.43 3.11 -0.08 2.92 1.01 -0.61 -0.60 120.40 126.58 1nqx s VAL 18 Ca -0.17 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1nqx s VAL 18 Cb -0.17 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.84 1nqx s VAL 18 CO 0.07 0.46 -0.09 0.00 0.00 0.00 0.00 175.10 175.54 1nqx s ALA 19 N 1.22 1.20 0.62 5.51 0.00 0.03 -0.78 121.76 129.57 1nqx s ALA 19 Ca 0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 51.47 1nqx s ALA 19 Cb -0.14 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1nqx s ALA 19 CO -0.03 -0.12 1.00 -1.54 0.00 0.00 0.00 175.76 175.06 1nqx s SER 20 N 1.14 5.90 0.01 0.00 1.04 -0.89 -2.01 113.70 118.88 1nqx s SER 20 Ca -0.06 1.16 0.21 0.00 0.48 0.00 0.00 55.95 57.75 1nqx s SER 20 Cb -0.14 -2.17 -0.24 0.00 0.10 0.00 0.00 66.02 63.57 1nqx s SER 20 CO -0.02 -1.00 0.59 0.54 0.98 0.00 0.00 173.24 174.33 1nqx n ARG 21 N -2.74 0.65 -1.85 4.02 1.74 -0.03 -4.77 116.66 113.68 1nqx n ARG 21 Ca 0.05 -0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.64 1nqx n ARG 21 Cb 0.56 -1.61 -0.01 0.00 -1.02 0.00 0.00 32.46 30.38 1nqx n ARG 21 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1nqx s PHE 22 N -3.33 2.71 -1.48 -1.55 5.36 -0.55 -1.49 117.98 117.64 1nqx s PHE 22 Ca -0.06 1.08 -0.07 0.00 -0.96 0.00 0.00 56.93 56.92 1nqx s PHE 22 Cb 0.12 -3.98 0.01 0.00 -0.34 0.00 0.00 43.02 38.82 1nqx s PHE 22 CO 0.87 -3.02 0.85 0.09 -1.46 0.00 0.00 175.22 172.55 1nqx n ASN 23 N 1.11 -6.19 0.19 6.13 3.02 -1.26 -4.53 115.26 113.74 1nqx n ASN 23 Ca 0.03 -0.40 0.14 0.00 -0.03 0.00 0.00 54.58 54.32 1nqx n ASN 23 Cb 0.39 -4.95 0.75 0.00 -0.61 0.00 0.00 39.78 35.36 1nqx n ASN 23 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1nqx h HIS 24 N -1.93 0.00 0.00 3.10 2.07 -1.57 -0.40 115.15 116.43 1nqx h HIS 24 Ca -0.55 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 56.96 1nqx h HIS 24 Cb 1.37 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.35 1nqx h HIS 24 CO 0.52 0.00 -0.06 0.00 -3.07 0.00 0.00 177.93 175.32 1nqx h ALA 25 N 1.88 1.41 0.02 6.11 0.00 -1.89 0.20 119.26 126.99 1nqx h ALA 25 Ca 0.08 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.56 1nqx h ALA 25 Cb 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1nqx h ALA 25 CO -0.00 0.08 -2.09 1.28 0.00 0.00 0.00 179.25 178.51 1nqx n LEU 26 N -3.76 2.29 -0.36 0.00 4.77 -0.29 -4.33 117.00 115.31 1nqx n LEU 26 Ca -0.02 0.23 0.04 0.00 -0.03 0.00 0.00 56.01 56.23 1nqx n LEU 26 Cb 0.16 -0.94 0.20 0.00 -2.33 0.00 0.00 43.42 40.51 1nqx n LEU 26 CO 0.29 0.63 1.24 0.58 -1.33 0.00 0.00 177.39 178.81 1nqx h VAL 27 N -0.57 1.02 -0.13 4.08 2.07 -0.98 -1.32 116.25 120.41 1nqx h VAL 27 Ca -0.53 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 66.63 1nqx h VAL 27 Cb 1.68 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1nqx h VAL 27 CO -0.20 0.20 0.09 0.44 0.02 0.00 0.00 177.57 178.12 1nqx h ASP 28 N 1.08 0.11 -0.05 0.57 3.32 -0.82 -0.40 116.42 120.22 1nqx h ASP 28 Ca 0.45 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.34 1nqx h ASP 28 Cb 0.29 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1nqx h ASP 28 CO -0.21 0.08 -0.53 0.03 -1.72 0.00 0.00 179.24 176.89 1nqx h ARG 29 N 0.13 0.63 -0.70 3.56 2.47 -1.44 -1.73 114.38 117.30 1nqx h ARG 29 Ca 0.05 -0.39 -0.03 0.00 -1.26 0.00 0.00 59.98 58.35 1nqx h ARG 29 Cb 0.05 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 1nqx h ARG 29 CO -0.01 1.00 0.32 -0.07 0.56 0.00 0.00 179.97 181.78 1nqx h LEU 30 N 0.49 0.94 -0.33 3.04 3.38 -0.88 -1.18 115.31 120.76 1nqx h LEU 30 Ca 0.01 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1nqx h LEU 30 Cb 1.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1nqx h LEU 30 CO 0.10 0.82 0.03 0.58 0.09 0.00 0.00 178.44 180.07 1nqx h VAL 31 N 0.99 1.25 -0.69 1.22 2.07 -1.06 -0.35 116.25 119.68 1nqx h VAL 31 Ca 0.24 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 66.96 1nqx h VAL 31 Cb 0.15 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 1nqx h VAL 31 CO -0.03 0.29 0.34 -0.33 0.02 0.00 0.00 177.57 177.86 1nqx h GLU 32 N 0.39 0.57 -0.53 1.57 5.08 -1.13 -1.34 114.58 119.19 1nqx h GLU 32 Ca 0.10 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1nqx h GLU 32 Cb 0.39 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1nqx h GLU 32 CO 0.01 0.38 0.10 0.78 -1.00 0.00 0.00 179.01 179.28 1nqx h GLY 33 N 0.59 0.93 0.95 -3.84 0.00 -0.79 -1.08 103.07 99.82 1nqx h GLY 33 Ca 0.33 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1nqx h GLY 33 CO -0.26 0.56 0.09 0.00 0.00 0.00 0.00 176.54 176.93 1nqx h ALA 34 N 0.99 0.58 -0.35 3.60 0.00 -0.60 -0.89 119.26 122.59 1nqx h ALA 34 Ca 0.16 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1nqx h ALA 34 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1nqx h ALA 34 CO 0.01 0.28 -0.07 0.82 0.00 0.00 0.00 179.25 180.29 1nqx h ILE 35 N 0.57 1.27 -0.63 0.00 2.04 -1.14 -1.91 117.51 117.72 1nqx h ILE 35 Ca 0.13 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 64.91 1nqx h ILE 35 Cb 0.35 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1nqx h ILE 35 CO 0.01 0.37 0.38 -0.78 0.00 0.00 0.00 178.15 178.13 1nqx h ASP 36 N 0.46 0.62 -0.22 1.72 3.58 -1.05 0.01 116.42 121.54 1nqx h ASP 36 Ca 0.09 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.57 1nqx h ASP 36 Cb 0.56 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 1nqx h ASP 36 CO 0.03 0.43 0.06 0.00 -2.88 0.00 0.00 179.24 176.88 1nqx h ILE 38 N 0.15 0.76 -0.58 0.00 2.04 -0.86 -2.41 117.51 116.61 1nqx h ILE 38 Ca 0.10 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1nqx h ILE 38 Cb 0.08 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1nqx h ILE 38 CO -0.12 0.00 0.26 0.58 0.00 0.00 0.00 178.15 178.88 1nqx h VAL 39 N -0.34 1.22 -0.00 1.67 2.07 -0.83 -0.56 116.25 119.48 1nqx h VAL 39 Ca -0.03 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1nqx h VAL 39 Cb 0.26 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1nqx h VAL 39 CO 0.06 0.25 -0.02 0.54 0.02 0.00 0.00 177.57 178.42 1nqx n ARG 40 N -4.51 0.08 -0.11 1.57 1.74 -0.33 -1.59 116.66 113.52 1nqx n ARG 40 Ca 0.03 -0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.21 1nqx n ARG 40 Cb 0.14 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.41 1nqx n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nqx n HIS 41 N -1.45 0.28 0.00 -1.55 8.25 -0.91 -4.93 115.22 114.90 1nqx n HIS 41 Ca 0.08 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1nqx n HIS 41 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1nqx n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqx n GLY 42 N 1.18 0.49 3.81 -1.41 0.00 -0.62 -0.20 105.19 108.43 1nqx n GLY 42 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1nqx n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqx s GLY 43 N -1.04 2.37 -0.02 -0.02 0.00 -0.25 -3.51 107.32 104.85 1nqx s GLY 43 Ca 0.00 0.48 -0.15 0.00 0.00 0.00 0.00 44.72 45.05 1nqx s GLY 43 CO 0.00 0.79 0.42 0.50 0.00 0.00 0.00 173.10 174.81 1nqx s ARG 44 N -3.47 4.01 0.45 2.90 0.52 -1.26 -4.11 118.95 117.99 1nqx s ARG 44 Ca 0.65 0.42 0.10 0.00 -0.52 0.00 0.00 55.73 56.38 1nqx s ARG 44 Cb -0.14 -3.26 1.00 0.00 0.52 0.00 0.00 34.95 33.07 1nqx s ARG 44 CO 0.23 0.59 2.08 1.05 0.02 0.00 0.00 175.30 179.27 1nqx h GLU 45 N 5.07 0.32 0.00 3.54 -0.00 -1.95 0.03 114.58 121.59 1nqx h GLU 45 Ca -0.50 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.36 58.84 1nqx h GLU 45 Cb 1.21 -0.07 -0.00 0.00 -0.00 0.00 0.00 28.75 29.89 1nqx h GLU 45 CO 0.64 0.23 -0.02 0.93 -0.00 0.00 0.00 179.01 180.79 1nqx h GLU 46 N 0.33 0.00 -0.54 1.06 3.07 -2.00 -1.70 114.58 114.79 1nqx h GLU 46 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1nqx h GLU 46 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1nqx h GLU 46 CO -0.02 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 177.37 1nqx n ASP 47 N -3.64 2.80 -4.69 1.42 8.00 -0.00 -4.82 116.55 115.62 1nqx n ASP 47 Ca -0.03 -2.18 -0.35 0.00 0.71 0.00 0.00 54.79 52.94 1nqx n ASP 47 Cb 0.11 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.73 1nqx n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqx s ILE 48 N -1.63 4.79 -0.21 0.53 1.01 -0.64 -1.48 121.20 123.57 1nqx s ILE 48 Ca 0.30 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.87 1nqx s ILE 48 Cb 0.18 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.54 1nqx s ILE 48 CO 0.16 0.53 -0.06 -0.89 0.00 0.00 0.00 174.94 174.67 1nqx s THR 49 N -0.19 3.20 -0.20 2.92 2.01 0.05 -4.98 115.64 118.45 1nqx s THR 49 Ca 0.07 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 1nqx s THR 49 Cb -0.12 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 1nqx s THR 49 CO 0.01 0.44 0.04 -0.22 -0.69 0.00 0.00 174.62 174.20 1nqx s LEU 50 N 1.42 3.50 -0.14 4.42 2.96 -1.26 -0.47 118.68 129.12 1nqx s LEU 50 Ca 0.05 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1nqx s LEU 50 Cb -0.14 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.65 1nqx s LEU 50 CO -0.04 0.09 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.21 1nqx s VAL 51 N 0.86 2.48 -0.08 1.68 1.01 0.23 -4.98 120.40 121.60 1nqx s VAL 51 Ca 0.02 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 1nqx s VAL 51 Cb -0.14 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1nqx s VAL 51 CO 0.02 0.53 0.17 -0.13 0.00 0.00 0.00 175.10 175.70 1nqx s ARG 52 N 0.72 3.48 0.10 2.72 0.52 -1.26 -0.79 118.95 124.45 1nqx s ARG 52 Ca -0.08 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 1nqx s ARG 52 Cb -0.16 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1nqx s ARG 52 CO 0.01 0.75 -0.04 0.14 0.02 0.00 0.00 175.30 176.18 1nqx s VAL 53 N -1.10 0.52 0.07 3.52 -7.23 -0.85 -4.94 120.40 110.38 1nqx s VAL 53 Ca 0.19 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.15 1nqx s VAL 53 Cb -0.12 -1.73 -0.18 0.00 0.56 0.00 0.00 36.38 34.91 1nqx s VAL 53 CO 0.08 -0.82 1.64 -0.65 -0.31 0.00 0.00 175.10 175.04 1nqx h PRO 54 N 2.97 -0.60 -4.81 4.82 0.11 -1.94 -0.05 132.00 132.50 1nqx h PRO 54 Ca -0.35 0.04 -0.40 0.00 0.11 0.00 0.00 66.00 65.40 1nqx h PRO 54 Cb 1.17 0.14 -0.14 0.00 0.11 0.00 0.00 31.00 32.28 1nqx h PRO 54 CO 0.64 -0.39 -0.53 0.20 -0.21 0.00 0.00 178.00 177.71 1nqx s GLY 55 N -2.13 2.06 0.41 -0.55 0.00 -1.26 -1.49 107.32 104.36 1nqx s GLY 55 Ca -0.16 -1.95 0.12 0.00 0.00 0.00 0.00 44.72 42.73 1nqx s GLY 55 CO 0.63 -1.46 1.94 1.76 0.00 0.00 0.00 173.10 175.97 1nqx h SER 56 N 2.28 0.46 -0.94 1.64 0.02 -1.91 -1.61 113.55 113.49 1nqx h SER 56 Ca -0.29 0.02 0.15 0.00 -0.84 0.00 0.00 61.79 60.83 1nqx h SER 56 Cb 1.24 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.62 1nqx h SER 56 CO 0.42 0.27 0.60 -0.25 -1.14 0.00 0.00 176.83 176.73 1nqx h TRP 57 N 0.51 0.93 -0.00 3.45 2.91 -1.96 -1.84 115.95 119.96 1nqx h TRP 57 Ca 0.33 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.38 1nqx h TRP 57 Cb 0.60 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.96 1nqx h TRP 57 CO -0.00 0.32 -0.22 0.39 -1.03 0.00 0.00 178.44 177.90 1nqx n GLU 58 N -4.61 0.22 0.06 2.65 4.71 -0.61 -4.28 120.64 118.77 1nqx n GLU 58 Ca 0.19 -0.08 -0.12 0.00 -0.01 0.00 0.00 57.16 57.14 1nqx n GLU 58 Cb 0.48 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.35 1nqx n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1nqx h ILE 59 N 0.20 0.83 -0.28 -3.67 2.04 -1.28 -3.18 117.51 112.18 1nqx h ILE 59 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1nqx h ILE 59 Cb 0.46 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 1nqx h ILE 59 CO 0.00 0.00 -0.17 -0.65 0.00 0.00 0.00 178.15 177.33 1nqx h PRO 60 N -0.13 -0.13 -0.69 2.37 0.11 -1.77 0.67 132.00 132.43 1nqx h PRO 60 Ca 0.02 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1nqx h PRO 60 Cb 0.15 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 1nqx h PRO 60 CO -0.06 -0.09 0.42 -0.24 -0.21 0.00 0.00 178.00 177.83 1nqx h VAL 61 N -0.14 1.19 -0.29 3.15 3.04 -1.84 0.93 116.25 122.29 1nqx h VAL 61 Ca 0.15 -0.40 -0.16 0.00 -1.01 0.00 0.00 66.70 65.28 1nqx h VAL 61 Cb 0.37 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 29.85 1nqx h VAL 61 CO -0.36 0.19 -0.44 0.00 -1.01 0.00 0.00 177.57 175.95 1nqx h ALA 62 N 1.53 0.44 -0.29 3.17 0.00 -1.45 -3.00 119.26 119.66 1nqx h ALA 62 Ca 0.25 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1nqx h ALA 62 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1nqx h ALA 62 CO -0.05 0.57 0.09 0.00 0.00 0.00 0.00 179.25 179.86 1nqx h ALA 63 N 0.68 1.61 -0.53 0.00 0.00 -0.01 -1.54 119.26 119.48 1nqx h ALA 63 Ca 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1nqx h ALA 63 Cb 1.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1nqx h ALA 63 CO 0.10 0.30 0.18 0.78 0.00 0.00 0.00 179.25 180.61 1nqx h GLY 64 N 0.60 0.83 1.01 0.00 0.00 -0.74 0.25 103.07 105.03 1nqx h GLY 64 Ca 0.10 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 46.81 1nqx h GLY 64 CO -0.01 0.41 -0.66 0.83 0.00 0.00 0.00 176.54 177.12 1nqx h GLU 65 N 0.76 0.64 -0.48 4.80 4.39 -1.17 -2.89 114.58 120.62 1nqx h GLU 65 Ca 0.18 -0.54 -0.09 0.00 0.34 0.00 0.00 59.36 59.25 1nqx h GLU 65 Cb 0.20 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1nqx h GLU 65 CO -0.01 1.16 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.87 1nqx h LEU 66 N 0.29 0.88 -1.69 1.33 3.38 -1.10 -2.86 115.31 115.54 1nqx h LEU 66 Ca -0.05 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1nqx h LEU 66 Cb 1.30 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1nqx h LEU 66 CO 0.14 1.01 0.00 0.00 0.09 0.00 0.00 178.44 179.67 1nqx h ALA 67 N 0.91 1.00 -0.00 1.53 0.00 -0.55 -1.91 119.26 120.23 1nqx h ALA 67 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1nqx h ALA 67 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1nqx h ALA 67 CO 0.04 0.00 -0.01 0.54 0.00 0.00 0.00 179.25 179.81 1nqx n ARG 68 N -3.08 0.15 -2.47 0.00 1.74 -1.08 -4.80 116.66 107.12 1nqx n ARG 68 Ca 0.00 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.65 1nqx n ARG 68 Cb 0.27 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 1nqx n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nqx s LYS 69 N -2.85 4.42 0.51 5.56 1.02 -0.72 -4.91 119.74 122.77 1nqx s LYS 69 Ca 0.19 1.69 0.28 0.00 0.02 0.00 0.00 55.97 58.16 1nqx s LYS 69 Cb 0.19 -3.43 1.35 0.00 -0.52 0.00 0.00 37.83 35.43 1nqx s LYS 69 CO 0.51 -0.29 2.01 1.49 -0.92 0.00 0.00 175.35 178.15 1nqx h GLU 70 N 7.00 0.00 -0.67 1.68 4.81 -1.88 -2.51 114.58 123.01 1nqx h GLU 70 Ca -0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1nqx h GLU 70 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1nqx h GLU 70 CO 0.82 0.13 0.00 -0.40 -0.73 0.00 0.00 179.01 178.83 1nqx n ASP 71 N -3.46 4.31 -4.27 1.04 5.75 -1.26 -4.78 116.55 113.87 1nqx n ASP 71 Ca -0.01 -2.59 -0.34 0.00 -0.01 0.00 0.00 54.79 51.84 1nqx n ASP 71 Cb 0.29 -0.60 -0.15 0.00 -1.03 0.00 0.00 41.12 39.63 1nqx n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1nqx s ILE 72 N -2.16 2.93 0.01 2.12 -1.09 -0.95 -4.75 121.20 117.32 1nqx s ILE 72 Ca 0.40 -0.66 0.11 0.00 -2.23 0.00 0.00 60.65 58.27 1nqx s ILE 72 Cb 0.29 -2.29 -0.17 0.00 -1.58 0.00 0.00 42.46 38.71 1nqx s ILE 72 CO 0.14 0.48 1.08 0.44 -1.23 0.00 0.00 174.94 175.85 1nqx h ASP 73 N 7.74 0.00 -4.88 3.58 3.32 -1.18 -3.47 116.42 121.53 1nqx h ASP 73 Ca -0.39 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 1nqx h ASP 73 Cb 1.17 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.54 1nqx h ASP 73 CO 0.60 0.89 0.25 0.00 -1.72 0.00 0.00 179.24 179.27 1nqx s ALA 74 N -2.73 -1.75 -0.07 3.45 0.00 -1.23 -4.46 121.76 114.97 1nqx s ALA 74 Ca -0.01 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.13 1nqx s ALA 74 Cb 0.09 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1nqx s ALA 74 CO 0.81 -0.47 -0.19 0.08 0.00 0.00 0.00 175.76 175.99 1nqx s VAL 75 N -1.89 2.61 -0.25 0.00 1.01 -0.68 -1.29 120.40 119.91 1nqx s VAL 75 Ca -0.06 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1nqx s VAL 75 Cb -0.00 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1nqx s VAL 75 CO 0.03 0.57 0.01 -0.63 0.00 0.00 0.00 175.10 175.07 1nqx s ILE 76 N -0.24 3.57 -0.18 2.22 1.01 0.99 -0.28 121.20 128.29 1nqx s ILE 76 Ca -0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 1nqx s ILE 76 Cb -0.13 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1nqx s ILE 76 CO 0.03 0.26 0.42 0.00 0.00 0.00 0.00 174.94 175.65 1nqx s ALA 77 N 1.47 3.54 -0.10 9.38 0.00 -0.68 -1.57 121.76 133.80 1nqx s ALA 77 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1nqx s ALA 77 Cb -0.16 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.35 1nqx s ALA 77 CO -0.01 -0.21 -0.08 0.42 0.00 0.00 0.00 175.76 175.88 1nqx s ILE 78 N 1.11 1.02 0.22 0.00 1.01 0.04 0.45 121.20 125.04 1nqx s ILE 78 Ca 0.21 -0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.32 1nqx s ILE 78 Cb -0.15 -1.01 0.05 0.00 0.01 0.00 0.00 42.46 41.36 1nqx s ILE 78 CO 0.08 0.36 0.87 -0.83 0.00 0.00 0.00 174.94 175.42 1nqx s GLY 79 N 1.42 -0.11 -0.12 6.18 0.00 -1.12 -2.10 107.32 111.48 1nqx s GLY 79 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 1nqx s GLY 79 CO -0.05 0.12 0.02 0.14 0.00 0.00 0.00 173.10 173.33 1nqx s VAL 80 N -3.35 0.40 -0.18 1.40 1.01 -1.26 -1.33 120.40 117.09 1nqx s VAL 80 Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1nqx s VAL 80 Cb -0.03 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1nqx s VAL 80 CO 0.05 0.08 0.01 -0.76 0.00 0.00 0.00 175.10 174.48 1nqx s LEU 81 N 1.95 3.41 -0.10 3.92 1.43 0.04 -4.72 118.68 124.61 1nqx s LEU 81 Ca 0.03 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1nqx s LEU 81 Cb -0.14 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1nqx s LEU 81 CO -0.06 0.12 -0.18 -0.63 0.23 0.00 0.00 176.35 175.83 1nqx s ILE 82 N 0.66 1.65 0.28 -0.59 1.01 -1.26 -0.78 121.20 122.17 1nqx s ILE 82 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 1nqx s ILE 82 Cb -0.14 -1.47 -0.12 0.00 0.01 0.00 0.00 42.46 40.74 1nqx s ILE 82 CO 0.02 0.47 1.61 -1.14 0.00 0.00 0.00 174.94 175.90 1nqx n ARG 83 N 3.89 2.70 0.00 2.79 0.63 -0.15 -4.93 116.66 121.59 1nqx n ARG 83 Ca -0.20 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 1nqx n ARG 83 Cb 0.52 -2.75 0.00 0.00 0.45 0.00 0.00 32.46 30.67 1nqx n ARG 83 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nqx n GLY 84 N 2.42 2.05 0.14 5.14 0.00 -1.26 -4.83 105.19 108.85 1nqx n GLY 84 Ca 0.10 -1.96 0.02 0.00 0.00 0.00 0.00 46.02 44.18 1nqx n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqx h ALA 85 N -0.94 0.69 -1.40 4.61 0.00 -2.01 -3.47 119.26 116.75 1nqx h ALA 85 Ca 0.00 -0.47 -0.52 0.00 0.00 0.00 0.00 54.91 53.92 1nqx h ALA 85 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1nqx h ALA 85 CO 0.00 0.64 -0.39 0.95 0.00 0.00 0.00 179.25 180.45 1nqx s THR 86 N -3.02 2.43 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.56 1nqx s THR 86 Ca 0.03 -1.44 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1nqx s THR 86 Cb 0.08 -2.88 0.07 0.00 1.34 0.00 0.00 72.50 71.11 1nqx s THR 86 CO 0.74 0.00 0.82 -0.81 -0.54 0.00 0.00 174.62 174.83 1nqx n PRO 87 N -1.51 0.71 -0.24 3.99 -0.04 -1.26 -4.12 135.00 132.52 1nqx n PRO 87 Ca 0.02 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.52 1nqx n PRO 87 Cb 0.63 -1.06 0.17 0.00 -0.04 0.00 0.00 33.50 33.20 1nqx n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1nqx h HIS 88 N 0.00 0.44 -0.74 0.54 2.76 -1.95 -0.80 115.15 115.39 1nqx h HIS 88 Ca 0.00 0.04 0.17 0.00 -2.20 0.00 0.00 60.37 58.37 1nqx h HIS 88 Cb 0.00 -0.08 -0.12 0.00 1.55 0.00 0.00 27.41 28.76 1nqx h HIS 88 CO 0.00 0.04 0.14 0.35 -1.30 0.00 0.00 177.93 177.16 1nqx h PHE 89 N 0.40 0.19 -0.43 5.26 3.57 -1.92 -1.75 116.94 122.26 1nqx h PHE 89 Ca 0.39 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.97 1nqx h PHE 89 Cb 0.58 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 1nqx h PHE 89 CO -0.19 -0.13 0.21 -0.44 -2.23 0.00 0.00 178.31 175.53 1nqx h ASP 90 N 0.22 0.31 -0.30 0.41 3.45 -1.45 -0.01 116.42 119.04 1nqx h ASP 90 Ca 0.42 0.02 -0.18 0.00 0.43 0.00 0.00 57.03 57.72 1nqx h ASP 90 Cb 0.73 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.47 1nqx h ASP 90 CO -0.55 0.22 -0.50 1.88 -1.57 0.00 0.00 179.24 178.72 1nqx h TYR 91 N 0.43 1.09 -0.06 4.55 -1.99 -1.32 -0.43 116.97 119.24 1nqx h TYR 91 Ca 0.18 -0.37 -0.01 0.00 2.00 0.00 0.00 58.73 60.53 1nqx h TYR 91 Cb 0.09 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.61 1nqx h TYR 91 CO -0.10 1.20 -0.01 0.82 -0.00 0.00 0.00 178.16 180.07 1nqx h ILE 92 N 0.66 1.28 -0.87 -2.88 1.08 -1.22 -1.66 117.51 113.90 1nqx h ILE 92 Ca 0.02 -0.87 0.05 0.00 -0.39 0.00 0.00 64.86 63.67 1nqx h ILE 92 Cb 1.10 1.75 -0.05 0.00 -3.07 0.00 0.00 36.82 36.56 1nqx h ILE 92 CO 0.11 0.24 0.57 0.00 -0.69 0.00 0.00 178.15 178.38 1nqx h ALA 93 N 0.68 1.49 -0.24 1.87 0.00 -0.97 0.40 119.26 122.49 1nqx h ALA 93 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1nqx h ALA 93 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1nqx h ALA 93 CO 0.00 0.40 -0.04 0.77 0.00 0.00 0.00 179.25 180.39 1nqx h SER 94 N 1.04 0.45 0.69 0.00 0.02 -0.98 -2.40 113.55 112.37 1nqx h SER 94 Ca 0.36 -0.35 -0.15 0.00 -0.84 0.00 0.00 61.79 60.81 1nqx h SER 94 Cb 0.10 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1nqx h SER 94 CO -0.12 0.69 -0.71 -0.33 -1.14 0.00 0.00 176.83 175.23 1nqx h GLU 95 N 0.20 0.02 -0.23 3.45 4.39 -0.86 -0.86 114.58 120.69 1nqx h GLU 95 Ca 0.06 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1nqx h GLU 95 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1nqx h GLU 95 CO 0.02 0.72 -0.14 -0.24 -1.16 0.00 0.00 179.01 178.22 1nqx h VAL 96 N 0.01 1.31 -0.37 3.13 3.04 -0.92 -0.78 116.25 121.67 1nqx h VAL 96 Ca -0.01 -1.24 -0.07 0.00 -1.01 0.00 0.00 66.70 64.37 1nqx h VAL 96 Cb 1.26 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 1nqx h VAL 96 CO 0.09 0.38 -0.05 0.77 -1.01 0.00 0.00 177.57 177.75 1nqx h SER 97 N 0.22 0.68 -0.57 3.17 4.64 -1.43 -2.25 113.55 118.00 1nqx h SER 97 Ca 0.05 -0.34 -0.06 0.00 -0.47 0.00 0.00 61.79 60.97 1nqx h SER 97 Cb 0.65 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1nqx h SER 97 CO 0.04 0.86 0.13 0.50 -0.87 0.00 0.00 176.83 177.49 1nqx h LYS 98 N 0.49 0.92 -0.07 4.77 3.64 -1.14 -2.34 116.57 122.85 1nqx h LYS 98 Ca 0.10 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1nqx h LYS 98 Cb 0.55 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1nqx h LYS 98 CO 0.03 0.86 0.04 0.78 -2.27 0.00 0.00 179.45 178.89 1nqx h GLY 99 N 0.83 0.11 0.98 5.01 0.00 -1.09 -0.11 103.07 108.79 1nqx h GLY 99 Ca 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.47 1nqx h GLY 99 CO 0.00 0.05 0.40 1.41 0.00 0.00 0.00 176.54 178.41 1nqx h LEU 100 N 0.01 0.69 -0.39 3.11 3.38 -1.38 -0.56 115.31 120.17 1nqx h LEU 100 Ca 0.02 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1nqx h LEU 100 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1nqx h LEU 100 CO -0.00 0.50 -0.13 0.00 0.09 0.00 0.00 178.44 178.89 1nqx h ALA 101 N 1.23 0.55 -0.55 1.53 0.00 -1.24 -1.34 119.26 119.44 1nqx h ALA 101 Ca 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1nqx h ALA 101 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1nqx h ALA 101 CO -0.06 0.45 0.30 -0.91 0.00 0.00 0.00 179.25 179.03 1nqx h ASN 102 N 0.60 0.69 -0.69 0.00 -0.26 -0.86 -2.33 115.58 112.73 1nqx h ASN 102 Ca 0.10 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1nqx h ASN 102 Cb 0.67 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.72 1nqx h ASN 102 CO 0.05 0.59 0.35 -0.07 -1.06 0.00 0.00 177.43 177.28 1nqx h LEU 103 N 0.74 0.89 -0.61 1.61 3.38 -0.93 -0.01 115.31 120.39 1nqx h LEU 103 Ca 0.19 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1nqx h LEU 103 Cb 0.05 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1nqx h LEU 103 CO -0.03 0.75 0.32 -1.28 0.09 0.00 0.00 178.44 178.29 1nqx h SER 104 N 0.95 0.46 -0.26 -0.43 0.87 -0.94 0.18 113.55 114.37 1nqx h SER 104 Ca 0.24 0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.66 1nqx h SER 104 Cb 0.09 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1nqx h SER 104 CO -0.03 0.30 -0.49 -0.07 -0.53 0.00 0.00 176.83 176.01 1nqx h LEU 105 N 0.60 0.92 -0.41 2.23 3.38 -1.04 0.45 115.31 121.44 1nqx h LEU 105 Ca 0.27 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1nqx h LEU 105 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1nqx h LEU 105 CO -0.19 1.25 -0.01 -0.08 0.09 0.00 0.00 178.44 179.50 1nqx h GLU 106 N 0.66 0.73 -0.01 1.13 4.81 -0.67 -3.08 114.58 118.15 1nqx h GLU 106 Ca 0.03 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1nqx h GLU 106 Cb 1.08 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1nqx h GLU 106 CO 0.11 0.82 -0.06 1.28 -0.73 0.00 0.00 179.01 180.43 1nqx n LEU 107 N -4.42 1.51 -3.98 1.64 4.77 0.02 -4.95 117.00 111.59 1nqx n LEU 107 Ca -0.01 -0.49 -0.26 0.00 -0.03 0.00 0.00 56.01 55.22 1nqx n LEU 107 Cb 0.30 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1nqx n LEU 107 CO 0.41 0.26 -0.25 0.54 -1.33 0.00 0.00 177.39 177.01 1nqx n ARG 108 N 0.08 -2.89 -3.78 3.23 1.74 0.10 -4.97 116.66 110.16 1nqx n ARG 108 Ca 0.17 0.37 -0.13 0.00 -0.77 0.00 0.00 57.85 57.49 1nqx n ARG 108 Cb 0.37 -4.37 -0.13 0.00 -1.02 0.00 0.00 32.46 27.31 1nqx n ARG 108 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1nqx s LYS 109 N -6.63 0.17 0.20 5.56 2.20 -0.90 -5.06 119.74 115.29 1nqx s LYS 109 Ca 0.03 0.32 -0.31 0.00 -0.36 0.00 0.00 55.97 55.65 1nqx s LYS 109 Cb -0.01 -0.01 -0.10 0.00 -1.51 0.00 0.00 37.83 36.20 1nqx s LYS 109 CO 0.90 -0.08 1.51 -2.14 -0.36 0.00 0.00 175.35 175.18 1nqx s PRO 110 N 0.55 4.23 -0.15 4.03 0.02 -1.26 -4.47 135.00 137.96 1nqx s PRO 110 Ca -0.04 2.34 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 1nqx s PRO 110 Cb -0.05 -3.13 0.04 0.00 0.02 0.00 0.00 34.50 31.38 1nqx s PRO 110 CO -0.03 -0.53 -0.02 0.42 -0.33 0.00 0.00 177.00 176.51 1nqx s ILE 111 N 0.61 0.80 0.26 2.83 1.01 -1.26 -1.68 121.20 123.77 1nqx s ILE 111 Ca 0.65 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.89 1nqx s ILE 111 Cb -0.43 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1nqx s ILE 111 CO 0.37 0.09 0.44 0.42 0.00 0.00 0.00 174.94 176.26 1nqx s THR 112 N 1.77 5.18 -0.53 2.92 -4.23 0.61 -4.93 115.64 116.44 1nqx s THR 112 Ca 0.02 -0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 59.96 1nqx s THR 112 Cb -0.15 -3.80 0.14 0.00 1.34 0.00 0.00 72.50 70.03 1nqx s THR 112 CO -0.07 -0.33 0.36 0.12 -0.54 0.00 0.00 174.62 174.16 1nqx s PHE 113 N -2.03 3.50 -0.49 3.99 5.36 -1.26 -1.68 117.98 125.36 1nqx s PHE 113 Ca 0.38 -2.36 0.03 0.00 -0.96 0.00 0.00 56.93 54.02 1nqx s PHE 113 Cb -0.10 -3.33 0.49 0.00 -0.34 0.00 0.00 43.02 39.74 1nqx s PHE 113 CO 0.31 -0.94 1.74 0.41 -1.46 0.00 0.00 175.22 175.28 1nqx n GLY 114 N 4.25 5.68 3.46 13.12 0.00 0.17 -4.73 105.19 127.14 1nqx n GLY 114 Ca 0.01 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 1nqx n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqx s VAL 115 N -4.34 4.66 0.20 1.61 1.01 -1.22 -2.78 120.40 119.53 1nqx s VAL 115 Ca 0.58 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1nqx s VAL 115 Cb 0.47 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 1nqx s VAL 115 CO 0.02 0.12 1.17 -0.63 0.00 0.00 0.00 175.10 175.78 1nqx s ILE 116 N 1.63 3.61 -0.49 2.22 1.01 -0.44 -4.92 121.20 123.83 1nqx s ILE 116 Ca 0.05 1.39 0.03 0.00 0.00 0.00 0.00 60.65 62.13 1nqx s ILE 116 Cb -0.17 -3.89 0.14 0.00 0.01 0.00 0.00 42.46 38.55 1nqx s ILE 116 CO 0.06 0.24 0.27 0.42 0.00 0.00 0.00 174.94 175.93 1nqx s THR 117 N -0.23 1.92 -0.03 2.92 -4.23 -1.26 -0.78 115.64 113.95 1nqx s THR 117 Ca 0.51 -2.96 -0.00 0.00 -1.18 0.00 0.00 61.69 58.06 1nqx s THR 117 Cb -0.32 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1nqx s THR 117 CO 0.37 -0.88 0.04 0.00 -0.54 0.00 0.00 174.62 173.62 1nqx s ALA 118 N -0.02 3.44 0.19 3.99 0.00 0.04 -5.01 121.76 124.39 1nqx s ALA 118 Ca 0.18 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.33 1nqx s ALA 118 Cb -0.23 -1.50 0.06 0.00 0.00 0.00 0.00 23.12 21.45 1nqx s ALA 118 CO -0.01 0.65 1.43 -0.44 0.00 0.00 0.00 175.76 177.38 1nqx h ASP 119 N 4.45 0.12 -3.78 0.00 3.32 -1.93 -0.38 116.42 118.21 1nqx h ASP 119 Ca -0.50 -0.10 -0.37 0.00 0.02 0.00 0.00 57.03 56.09 1nqx h ASP 119 Cb 1.18 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.55 1nqx h ASP 119 CO 0.59 0.89 -0.69 0.42 -1.72 0.00 0.00 179.24 178.72 1nqx s THR 120 N -3.23 1.21 0.22 0.35 -4.23 -1.26 -3.92 115.64 104.79 1nqx s THR 120 Ca -0.02 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 1nqx s THR 120 Cb 0.11 -2.09 0.15 0.00 1.34 0.00 0.00 72.50 72.01 1nqx s THR 120 CO 0.81 -0.55 1.77 0.25 -0.54 0.00 0.00 174.62 176.36 1nqx h LEU 121 N 2.61 1.06 -0.70 4.79 5.85 -1.92 -2.24 115.31 124.76 1nqx h LEU 121 Ca -0.38 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.23 1nqx h LEU 121 Cb 1.21 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1nqx h LEU 121 CO 0.64 0.96 0.39 -0.08 -0.34 0.00 0.00 178.44 180.02 1nqx h GLU 122 N 1.10 0.70 -0.59 1.25 4.81 -1.99 -0.37 114.58 119.49 1nqx h GLU 122 Ca 0.25 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1nqx h GLU 122 Cb 0.27 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1nqx h GLU 122 CO -0.01 0.46 0.09 1.96 -0.73 0.00 0.00 179.01 180.78 1nqx h GLN 123 N 0.72 0.95 -0.38 1.92 4.20 -1.86 -0.73 115.11 119.92 1nqx h GLN 123 Ca 0.32 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1nqx h GLN 123 Cb 0.21 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1nqx h GLN 123 CO -0.19 0.88 0.00 0.00 -0.67 0.00 0.00 178.83 178.85 1nqx h ALA 124 N 1.20 0.51 -0.83 3.87 0.00 -0.77 -2.75 119.26 120.48 1nqx h ALA 124 Ca 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1nqx h ALA 124 Cb 0.39 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1nqx h ALA 124 CO 0.01 0.28 0.46 0.82 0.00 0.00 0.00 179.25 180.81 1nqx h ILE 125 N 0.48 1.25 -0.33 0.00 2.04 -0.72 -2.21 117.51 118.02 1nqx h ILE 125 Ca 0.11 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.42 1nqx h ILE 125 Cb 0.46 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1nqx h ILE 125 CO 0.02 0.28 0.23 -0.33 0.00 0.00 0.00 178.15 178.34 1nqx h GLU 126 N 1.16 0.15 -0.14 2.37 5.08 -0.98 -2.57 114.58 119.66 1nqx h GLU 126 Ca 0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1nqx h GLU 126 Cb 0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nqx h GLU 126 CO -0.05 0.10 0.00 0.54 -1.00 0.00 0.00 179.01 178.60 1nqx n ARG 127 N -4.47 2.14 -2.35 2.33 1.74 -0.88 -0.36 116.66 114.81 1nqx n ARG 127 Ca 0.04 -1.93 -0.30 0.00 -0.77 0.00 0.00 57.85 54.89 1nqx n ARG 127 Cb 0.30 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.31 1nqx n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqx n ALA 128 N 1.27 5.43 -0.25 7.54 0.00 -0.93 -1.72 120.51 131.85 1nqx n ALA 128 Ca 0.14 -4.29 0.00 0.00 0.00 0.00 0.00 53.44 49.30 1nqx n ALA 128 Cb 0.55 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1nqx n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqx n GLY 129 N -0.49 0.94 0.00 0.00 0.00 0.95 -4.73 105.19 101.86 1nqx n GLY 129 Ca 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1nqx n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nqx n THR 130 N -2.17 0.00 0.25 2.61 -2.24 -1.17 -4.94 114.28 106.62 1nqx n THR 130 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1nqx n THR 130 Cb 0.01 0.00 0.78 0.00 -2.10 0.00 0.00 70.33 69.02 1nqx n THR 130 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1nqx h LYS 131 N 0.00 0.00 -0.57 -0.78 2.10 -1.83 -1.28 116.57 114.21 1nqx h LYS 131 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 1nqx h LYS 131 Cb 0.00 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.18 1nqx h LYS 131 CO 0.00 0.00 0.17 0.72 -2.00 0.00 0.00 179.45 178.34 1nqx n HIS 132 N -4.14 1.79 -3.69 0.07 8.25 0.51 -5.05 115.22 112.96 1nqx n HIS 132 Ca -0.01 -1.50 0.00 0.00 -0.26 0.00 0.00 57.72 55.95 1nqx n HIS 132 Cb 0.16 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 30.66 1nqx n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqx n GLY 133 N -0.88 -0.70 2.64 -1.41 0.00 -0.49 -4.68 105.19 99.67 1nqx n GLY 133 Ca 0.40 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 1nqx n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nqx s ASN 134 N -4.00 2.42 0.48 1.61 3.84 -1.26 -0.03 114.94 118.00 1nqx s ASN 134 Ca 0.00 -0.63 0.19 0.00 0.21 0.00 0.00 52.86 52.63 1nqx s ASN 134 Cb 0.00 -0.31 1.19 0.00 -0.55 0.00 0.00 41.25 41.58 1nqx s ASN 134 CO 0.00 -0.34 2.03 0.50 -2.79 0.00 0.00 177.10 176.50 1nqx h LYS 135 N 8.38 0.00 -0.23 0.43 1.63 -1.65 -1.80 116.57 123.34 1nqx h LYS 135 Ca -0.15 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.62 1nqx h LYS 135 Cb 1.14 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 1nqx h LYS 135 CO 0.30 0.15 0.04 0.78 -3.45 0.00 0.00 179.45 177.27 1nqx h GLY 136 N 0.60 0.41 1.00 5.01 0.00 -1.82 -1.10 103.07 107.17 1nqx h GLY 136 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1nqx h GLY 136 CO 0.02 0.25 0.42 -0.25 0.00 0.00 0.00 176.54 176.98 1nqx h TRP 137 N 0.18 0.86 -0.39 5.60 7.01 -1.57 -1.07 115.95 126.57 1nqx h TRP 137 Ca 0.07 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1nqx h TRP 137 Cb 0.32 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 1nqx h TRP 137 CO 0.02 0.56 0.20 1.49 -2.79 0.00 0.00 178.44 177.92 1nqx h GLU 138 N 0.91 0.55 -0.12 2.65 4.81 -1.18 -0.36 114.58 121.83 1nqx h GLU 138 Ca 0.24 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 1nqx h GLU 138 Cb -0.07 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1nqx h GLU 138 CO -0.05 0.46 -0.44 0.00 -0.73 0.00 0.00 179.01 178.26 1nqx h ALA 139 N 1.05 1.03 -0.22 2.92 0.00 -1.08 -1.19 119.26 121.78 1nqx h ALA 139 Ca 0.13 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1nqx h ALA 139 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nqx h ALA 139 CO -0.02 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.80 1nqx h ALA 140 N 1.31 0.30 -0.80 0.00 0.00 -0.91 -1.09 119.26 118.06 1nqx h ALA 140 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1nqx h ALA 140 Cb 0.87 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1nqx h ALA 140 CO 0.07 0.09 0.51 1.25 0.00 0.00 0.00 179.25 181.17 1nqx h LEU 141 N 0.16 0.95 -0.74 0.00 5.85 -0.86 -0.91 115.31 119.76 1nqx h LEU 141 Ca 0.06 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1nqx h LEU 141 Cb 0.51 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1nqx h LEU 141 CO 0.02 0.71 0.43 -1.28 -0.34 0.00 0.00 178.44 177.98 1nqx h SER 142 N 1.10 0.64 -0.53 1.25 0.87 -1.09 -1.84 113.55 113.95 1nqx h SER 142 Ca 0.29 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.80 1nqx h SER 142 Cb -0.08 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1nqx h SER 142 CO -0.06 0.41 0.06 0.00 -0.53 0.00 0.00 176.83 176.70 1nqx h ALA 143 N 1.38 1.01 0.01 6.23 0.00 -0.18 0.75 119.26 128.46 1nqx h ALA 143 Ca 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nqx h ALA 143 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1nqx h ALA 143 CO -0.19 0.62 -0.01 0.82 0.00 0.00 0.00 179.25 180.49 1nqx h ILE 144 N 0.89 0.97 -0.42 0.00 2.04 -0.92 0.62 117.51 120.68 1nqx h ILE 144 Ca 0.17 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 1nqx h ILE 144 Cb 0.44 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1nqx h ILE 144 CO 0.02 0.00 0.25 -0.08 0.00 0.00 0.00 178.15 178.34 1nqx h GLU 145 N -0.03 0.58 -0.41 2.37 4.81 -0.99 -1.57 114.58 119.34 1nqx h GLU 145 Ca 0.00 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1nqx h GLU 145 Cb 0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1nqx h GLU 145 CO -0.01 0.43 -0.27 0.52 -0.73 0.00 0.00 179.01 178.96 1nqx h MET 146 N 0.56 0.87 -0.45 1.92 2.86 -0.65 -0.49 114.93 119.56 1nqx h MET 146 Ca 0.15 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1nqx h MET 146 Cb 0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1nqx h MET 146 CO -0.03 1.03 0.21 0.00 1.06 0.00 0.00 176.91 179.18 1nqx h ALA 147 N 0.95 0.58 -0.52 6.32 0.00 -0.71 -0.05 119.26 125.83 1nqx h ALA 147 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1nqx h ALA 147 Cb 0.82 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1nqx h ALA 147 CO 0.07 0.16 0.21 -0.91 0.00 0.00 0.00 179.25 178.78 1nqx h ASN 148 N 0.58 0.71 -0.53 0.00 2.35 -1.14 -2.52 115.58 115.04 1nqx h ASN 148 Ca 0.15 -0.16 0.07 0.00 -0.55 0.00 0.00 56.30 55.81 1nqx h ASN 148 Cb 0.14 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.27 1nqx h ASN 148 CO -0.02 0.68 0.21 0.25 -1.65 0.00 0.00 177.43 176.90 1nqx h LEU 149 N 0.70 0.24 -1.84 1.61 5.85 -0.80 -2.44 115.31 118.63 1nqx h LEU 149 Ca 0.17 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1nqx h LEU 149 Cb 0.19 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1nqx h LEU 149 CO -0.02 0.16 -0.06 -0.26 -0.34 0.00 0.00 178.44 177.92 1nqx h PHE 150 N 0.40 0.00 -0.15 1.25 -1.00 -0.76 0.53 116.94 117.21 1nqx h PHE 150 Ca 0.25 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.02 1nqx h PHE 150 Cb 0.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 1nqx h PHE 150 CO -0.15 0.06 0.03 0.87 -1.61 0.00 0.00 178.31 177.51 1nqx h LYS 151 N 0.00 0.21 0.00 1.51 1.57 -1.00 -1.02 116.57 117.84 1nqx h LYS 151 Ca -0.00 -0.02 -0.38 0.00 -1.87 0.00 0.00 60.65 58.38 1nqx h LYS 151 Cb 0.40 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 1nqx h LYS 151 CO 0.01 0.21 -2.41 -1.13 -0.57 0.00 0.00 179.45 175.56 1nqx n SER 152 N -4.44 0.67 0.11 0.86 3.41 -0.64 -4.71 113.62 108.89 1nqx n SER 152 Ca -0.01 -0.04 -0.23 0.00 -0.26 0.00 0.00 58.87 58.33 1nqx n SER 152 Cb 0.14 0.52 -0.14 0.00 -0.26 0.00 0.00 64.21 64.46 1nqx n SER 152 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1nqx h LEU 153 N 0.00 0.86 0.00 1.04 5.85 -0.78 -3.53 115.31 118.75 1nqx h LEU 153 Ca -0.56 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.32 1nqx h LEU 153 Cb 2.13 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.89 1nqx h LEU 153 CO -0.01 1.64 0.00 -1.14 -0.34 0.00 0.00 178.44 178.60