#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 4.40 -0.11 2.12 -0.21 -1.26 -5.05 119.66 119.55 1nqx s GLN 2 Ca 0.00 0.99 0.02 0.00 0.02 0.00 0.00 55.36 56.39 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 -0.17 0.42 -2.12 0.00 0.00 175.29 173.32 1nqx s ILE 3 N 1.32 1.63 -0.09 1.08 1.01 -1.26 -5.11 121.20 119.79 1nqx s ILE 3 Ca 0.39 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1nqx s ILE 3 Cb -0.18 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 1nqx s ILE 3 CO 0.17 0.47 -0.20 -0.31 0.00 0.00 0.00 174.94 175.07 1nqx s TYR 4 N 0.80 2.62 0.15 3.97 2.02 -1.26 -5.12 117.35 120.52 1nqx s TYR 4 Ca -0.10 -0.68 -0.15 0.00 -0.37 0.00 0.00 57.07 55.76 1nqx s TYR 4 Cb -0.16 -1.70 0.03 0.00 -0.40 0.00 0.00 41.96 39.73 1nqx s TYR 4 CO 0.01 -0.20 0.41 -1.83 -1.57 0.00 0.00 175.55 172.38 1nqx s GLU 5 N 0.01 1.16 -0.16 -0.62 -1.05 -1.26 -5.12 118.70 111.66 1nqx s GLU 5 Ca -0.07 -0.82 -0.06 0.00 -0.15 0.00 0.00 54.97 53.87 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 0.05 0.20 0.95 0.00 0.00 175.26 176.04 1nqx s GLY 6 N -2.85 1.89 1.02 -3.83 0.00 -1.26 -4.44 107.32 97.85 1nqx s GLY 6 Ca 0.06 -0.75 -0.16 0.00 0.00 0.00 0.00 44.72 43.87 1nqx s GLY 6 CO -0.08 -0.05 1.19 0.54 0.00 0.00 0.00 173.10 174.69 1nqx s LYS 7 N 0.15 0.24 -0.08 2.90 1.02 -1.26 -4.85 119.74 117.87 1nqx s LYS 7 Ca 0.04 -0.04 0.13 0.00 0.02 0.00 0.00 55.97 56.12 1nqx s LYS 7 Cb -0.12 -1.76 0.36 0.00 -0.52 0.00 0.00 37.83 35.78 1nqx s LYS 7 CO 0.01 -2.74 1.29 1.28 -0.92 0.00 0.00 175.35 174.27 1nqx n LEU 8 N -4.08 3.17 -4.76 3.17 4.77 -1.26 -4.16 117.00 113.85 1nqx n LEU 8 Ca 0.11 -2.46 -0.39 0.00 -0.03 0.00 0.00 56.01 53.24 1nqx n LEU 8 Cb 0.59 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1nqx n LEU 8 CO 0.50 0.69 0.31 0.42 -1.33 0.00 0.00 177.39 177.98 1nqx s THR 9 N -1.82 4.88 -0.73 -5.08 -4.23 -1.26 -4.84 115.64 102.55 1nqx s THR 9 Ca 0.29 1.29 0.13 0.00 -1.18 0.00 0.00 61.69 62.22 1nqx s THR 9 Cb 0.20 -3.95 0.41 0.00 1.34 0.00 0.00 72.50 70.50 1nqx s THR 9 CO 0.11 0.42 1.34 0.00 -0.54 0.00 0.00 174.62 175.95 1nqx n ALA 10 N 2.66 2.49 -1.65 3.99 0.00 0.92 -4.97 120.51 123.96 1nqx n ALA 10 Ca -0.07 -1.53 -0.50 0.00 0.00 0.00 0.00 53.44 51.35 1nqx n ALA 10 Cb 0.51 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 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 0.26 1.72 -0.76 0.00 2.13 -1.24 -1.48 120.64 121.28 1nqx n GLU 11 Ca 0.16 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1nqx n GLU 11 Cb 0.60 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.96 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 3.35 1.39 3.84 8.31 0.00 -1.26 -4.99 105.19 115.84 1nqx n GLY 12 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 4.08 -0.10 0.99 1.43 -0.55 -5.05 118.68 119.47 1nqx s LEU 13 Ca 0.00 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 1nqx s LEU 13 Cb 0.00 -4.08 0.01 0.00 0.03 0.00 0.00 46.19 42.15 1nqx s LEU 13 CO 0.00 -0.20 -0.17 -0.13 0.23 0.00 0.00 176.35 176.09 1nqx s ARG 14 N -2.91 2.32 0.05 1.70 0.52 -1.26 -4.62 118.95 114.75 1nqx s ARG 14 Ca 0.54 -0.61 0.09 0.00 -0.52 0.00 0.00 55.73 55.23 1nqx s ARG 14 Cb -0.11 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.42 1nqx s ARG 14 CO 0.17 -0.01 -0.25 -0.06 0.02 0.00 0.00 175.30 175.17 1nqx s PHE 15 N 0.83 2.22 -0.10 -0.53 0.40 -0.60 -0.33 117.98 119.86 1nqx s PHE 15 Ca -0.10 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 55.80 1nqx s PHE 15 Cb -0.16 -1.32 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 1nqx s PHE 15 CO 0.01 0.12 0.01 0.20 0.70 0.00 0.00 175.22 176.26 1nqx s GLY 16 N -1.25 1.85 -0.10 4.36 0.00 -0.38 -0.78 107.32 111.02 1nqx s GLY 16 Ca 0.11 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1nqx s GLY 16 CO 0.02 -0.44 -0.19 -0.42 0.00 0.00 0.00 173.10 172.07 1nqx s ILE 17 N -0.62 1.73 -0.20 0.90 1.01 0.63 -0.05 121.20 124.61 1nqx s ILE 17 Ca 0.10 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1nqx s ILE 17 Cb -0.12 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 1nqx s ILE 17 CO 0.02 0.49 -0.07 -0.69 0.00 0.00 0.00 174.94 174.68 1nqx s VAL 18 N 0.68 3.18 -0.08 2.92 1.01 -0.57 -0.46 120.40 127.06 1nqx s VAL 18 Ca -0.12 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1nqx s VAL 18 Cb -0.16 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1nqx s VAL 18 CO 0.03 0.45 -0.11 0.00 0.00 0.00 0.00 175.10 175.47 1nqx s ALA 19 N 1.26 1.31 0.56 5.51 0.00 0.03 -0.60 121.76 129.84 1nqx s ALA 19 Ca 0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 1nqx s ALA 19 Cb -0.14 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1nqx s ALA 19 CO -0.03 -0.08 0.91 -1.54 0.00 0.00 0.00 175.76 175.02 1nqx s SER 20 N 1.04 6.09 0.03 0.00 1.04 -0.86 -1.87 113.70 119.17 1nqx s SER 20 Ca -0.07 1.09 0.21 0.00 0.48 0.00 0.00 55.95 57.66 1nqx s SER 20 Cb -0.15 -2.23 -0.21 0.00 0.10 0.00 0.00 66.02 63.54 1nqx s SER 20 CO -0.01 -0.81 0.64 0.54 0.98 0.00 0.00 173.24 174.58 1nqx n ARG 21 N -2.54 0.64 -1.84 4.02 1.74 0.08 -4.78 116.66 113.98 1nqx n ARG 21 Ca 0.04 -0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.66 1nqx n ARG 21 Cb 0.55 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 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 -3.31 2.76 -1.45 -1.55 5.36 -0.55 -1.58 117.98 117.65 1nqx s PHE 22 Ca -0.05 0.96 -0.07 0.00 -0.96 0.00 0.00 56.93 56.81 1nqx s PHE 22 Cb 0.11 -4.00 0.01 0.00 -0.34 0.00 0.00 43.02 38.80 1nqx s PHE 22 CO 0.86 -3.19 0.91 0.09 -1.46 0.00 0.00 175.22 172.43 1nqx n ASN 23 N 1.62 -6.28 0.28 6.13 3.02 -1.26 -4.54 115.26 114.22 1nqx n ASN 23 Ca 0.05 -0.42 0.12 0.00 -0.03 0.00 0.00 54.58 54.30 1nqx n ASN 23 Cb 0.39 -5.00 0.78 0.00 -0.61 0.00 0.00 39.78 35.34 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 -2.09 0.00 0.00 3.10 2.07 -1.60 -0.54 115.15 116.10 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 0.51 0.03 -0.06 0.00 -3.07 0.00 0.00 177.93 175.34 1nqx h ALA 25 N 1.97 1.46 0.02 6.11 0.00 -1.90 0.24 119.26 127.16 1nqx h ALA 25 Ca -0.00 -0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.50 1nqx h ALA 25 Cb 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1nqx h ALA 25 CO 0.00 0.08 -1.99 1.28 0.00 0.00 0.00 179.25 178.63 1nqx n LEU 26 N -3.83 2.17 -0.34 0.00 4.77 -0.32 -4.29 117.00 115.16 1nqx n LEU 26 Ca -0.02 0.28 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 1nqx n LEU 26 Cb 0.16 -0.93 0.22 0.00 -2.33 0.00 0.00 43.42 40.53 1nqx n LEU 26 CO 0.29 0.56 1.20 0.58 -1.33 0.00 0.00 177.39 178.70 1nqx h VAL 27 N -0.69 0.91 -0.23 4.08 2.07 -1.02 -1.50 116.25 119.87 1nqx h VAL 27 Ca -0.52 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1nqx h VAL 27 Cb 1.61 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1nqx h VAL 27 CO -0.22 0.17 0.16 0.44 0.02 0.00 0.00 177.57 178.13 1nqx h ASP 28 N 0.93 0.18 -0.30 0.57 3.32 -0.74 -0.52 116.42 119.86 1nqx h ASP 28 Ca 0.47 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.35 1nqx h ASP 28 Cb 0.46 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1nqx h ASP 28 CO -0.26 0.13 -0.47 0.03 -1.72 0.00 0.00 179.24 176.95 1nqx h ARG 29 N 0.21 0.88 -0.75 3.56 2.47 -1.46 -2.04 114.38 117.24 1nqx h ARG 29 Ca 0.10 -0.51 -0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1nqx h ARG 29 Cb 0.12 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.45 1nqx h ARG 29 CO -0.02 1.15 0.46 -0.07 0.56 0.00 0.00 179.97 182.04 1nqx h LEU 30 N 0.69 0.90 -0.46 3.04 3.38 -0.94 -1.36 115.31 120.57 1nqx h LEU 30 Ca 0.04 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1nqx h LEU 30 Cb 1.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1nqx h LEU 30 CO 0.11 0.70 0.03 0.58 0.09 0.00 0.00 178.44 179.94 1nqx h VAL 31 N 1.02 1.26 -0.71 1.22 2.07 -1.10 -0.96 116.25 119.05 1nqx h VAL 31 Ca 0.27 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.87 1nqx h VAL 31 Cb -0.04 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1nqx h VAL 31 CO -0.05 0.35 0.39 -0.33 0.02 0.00 0.00 177.57 177.95 1nqx h GLU 32 N 0.64 0.68 -0.61 1.57 5.08 -1.17 -1.70 114.58 119.07 1nqx h GLU 32 Ca 0.13 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1nqx h GLU 32 Cb 0.45 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1nqx h GLU 32 CO 0.02 0.45 0.11 0.78 -1.00 0.00 0.00 179.01 179.36 1nqx h GLY 33 N 0.70 1.08 0.95 -3.84 0.00 -0.82 -1.33 103.07 99.82 1nqx h GLY 33 Ca 0.33 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1nqx h GLY 33 CO -0.21 0.66 0.00 0.00 0.00 0.00 0.00 176.54 177.00 1nqx h ALA 34 N 1.02 0.54 -0.31 3.60 0.00 -0.86 -1.16 119.26 122.10 1nqx h ALA 34 Ca 0.19 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1nqx h ALA 34 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1nqx h ALA 34 CO 0.01 0.32 -0.07 0.82 0.00 0.00 0.00 179.25 180.33 1nqx h ILE 35 N 0.54 1.28 -0.63 0.00 2.04 -1.23 -1.68 117.51 117.83 1nqx h ILE 35 Ca 0.11 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 64.92 1nqx h ILE 35 Cb 0.47 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 1nqx h ILE 35 CO 0.02 0.35 0.36 -0.78 0.00 0.00 0.00 178.15 178.11 1nqx h ASP 36 N 0.36 0.56 -0.10 1.72 3.58 -1.16 -0.27 116.42 121.12 1nqx h ASP 36 Ca 0.08 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1nqx h ASP 36 Cb 0.55 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 1nqx h ASP 36 CO 0.03 0.38 0.07 0.00 -2.88 0.00 0.00 179.24 176.84 1nqx h ILE 38 N 0.13 0.74 -0.46 0.00 2.04 -0.83 -2.22 117.51 116.91 1nqx h ILE 38 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1nqx h ILE 38 Cb -0.01 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1nqx h ILE 38 CO -0.01 0.00 0.14 0.58 0.00 0.00 0.00 178.15 178.87 1nqx h VAL 39 N -0.28 1.22 0.00 1.67 2.07 -0.89 0.05 116.25 120.10 1nqx h VAL 39 Ca -0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1nqx h VAL 39 Cb 0.25 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1nqx h VAL 39 CO -0.02 0.27 0.00 0.54 0.02 0.00 0.00 177.57 178.38 1nqx n ARG 40 N -4.54 0.04 -0.12 1.57 1.74 -0.27 -1.66 116.66 113.43 1nqx n ARG 40 Ca 0.01 0.05 0.09 0.00 -0.77 0.00 0.00 57.85 57.23 1nqx n ARG 40 Cb 0.19 -1.55 0.29 0.00 -1.02 0.00 0.00 32.46 30.37 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 -1.62 0.33 0.00 -1.55 8.25 -0.84 -4.93 115.22 114.86 1nqx n HIS 41 Ca 0.06 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1nqx n HIS 41 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 1.13 0.45 3.80 -1.41 0.00 -0.66 -0.05 105.19 108.45 1nqx n GLY 42 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.19 2.42 0.02 -0.02 0.00 -0.02 -3.60 107.32 104.93 1nqx s GLY 43 Ca 0.00 0.56 -0.16 0.00 0.00 0.00 0.00 44.72 45.12 1nqx s GLY 43 CO 0.00 0.88 0.47 0.50 0.00 0.00 0.00 173.10 174.95 1nqx s ARG 44 N -3.43 4.03 0.48 2.90 0.52 -1.26 -4.09 118.95 118.11 1nqx s ARG 44 Ca 0.66 0.53 0.17 0.00 -0.52 0.00 0.00 55.73 56.57 1nqx s ARG 44 Cb -0.16 -3.24 1.16 0.00 0.52 0.00 0.00 34.95 33.23 1nqx s ARG 44 CO 0.24 0.65 2.05 1.05 0.02 0.00 0.00 175.30 179.31 1nqx h GLU 45 N 4.73 0.00 0.00 3.54 -0.00 -1.95 -0.84 114.58 120.06 1nqx h GLU 45 Ca -0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.85 1nqx h GLU 45 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1nqx h GLU 45 CO 0.63 0.12 -0.04 0.93 -0.00 0.00 0.00 179.01 180.64 1nqx h GLU 46 N 0.00 0.00 -0.48 1.06 3.07 -2.00 -1.93 114.58 114.30 1nqx h GLU 46 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nqx h GLU 46 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1nqx h GLU 46 CO 0.02 0.04 0.00 -0.25 -1.40 0.00 0.00 179.01 177.42 1nqx n ASP 47 N -3.28 2.55 -4.81 1.42 8.00 -0.32 -4.81 116.55 115.30 1nqx n ASP 47 Ca -0.01 -2.06 -0.36 0.00 0.71 0.00 0.00 54.79 53.06 1nqx n ASP 47 Cb 0.21 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.48 5.44 -0.19 0.53 1.01 -0.73 -1.56 121.20 124.22 1nqx s ILE 48 Ca 0.30 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 61.12 1nqx s ILE 48 Cb 0.17 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.21 1nqx s ILE 48 CO 0.19 0.54 -0.10 -0.89 0.00 0.00 0.00 174.94 174.68 1nqx s THR 49 N -0.38 3.01 -0.19 2.92 2.01 0.04 -4.98 115.64 118.06 1nqx s THR 49 Ca 0.12 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 1nqx s THR 49 Cb -0.12 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1nqx s THR 49 CO 0.01 0.47 0.01 -0.22 -0.69 0.00 0.00 174.62 174.20 1nqx s LEU 50 N 1.21 3.39 -0.14 4.42 2.96 -1.26 -0.26 118.68 129.00 1nqx s LEU 50 Ca 0.02 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1nqx s LEU 50 Cb -0.14 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.70 1nqx s LEU 50 CO -0.04 0.11 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.22 1nqx s VAL 51 N 0.73 2.30 -0.04 1.68 1.01 0.39 -4.97 120.40 121.49 1nqx s VAL 51 Ca 0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1nqx s VAL 51 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1nqx s VAL 51 CO 0.02 0.54 0.22 -0.13 0.00 0.00 0.00 175.10 175.75 1nqx s ARG 52 N 0.76 3.54 0.09 2.72 0.52 -1.26 -0.79 118.95 124.53 1nqx s ARG 52 Ca -0.08 -0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.05 1nqx s ARG 52 Cb -0.16 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 1nqx s ARG 52 CO -0.00 0.70 -0.04 0.14 0.02 0.00 0.00 175.30 176.12 1nqx s VAL 53 N -1.19 0.49 0.06 3.52 -7.23 -0.78 -4.94 120.40 110.33 1nqx s VAL 53 Ca 0.23 -1.89 -0.27 0.00 -1.81 0.00 0.00 61.98 58.23 1nqx s VAL 53 Cb -0.13 -1.68 -0.17 0.00 0.56 0.00 0.00 36.38 34.96 1nqx s VAL 53 CO 0.12 -0.87 1.59 -0.65 -0.31 0.00 0.00 175.10 174.99 1nqx h PRO 54 N 3.01 -0.39 -4.72 4.82 0.11 -1.93 0.25 132.00 133.13 1nqx h PRO 54 Ca -0.35 0.03 -0.36 0.00 0.11 0.00 0.00 66.00 65.43 1nqx h PRO 54 Cb 1.16 0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 1nqx h PRO 54 CO 0.65 -0.21 -0.52 0.20 -0.21 0.00 0.00 178.00 177.90 1nqx s GLY 55 N -2.27 1.90 0.47 -0.55 0.00 -1.26 -1.49 107.32 104.13 1nqx s GLY 55 Ca -0.15 -1.88 0.14 0.00 0.00 0.00 0.00 44.72 42.83 1nqx s GLY 55 CO 0.63 -1.41 2.07 1.76 0.00 0.00 0.00 173.10 176.15 1nqx h SER 56 N 2.34 0.20 -0.94 1.64 0.02 -1.91 -1.21 113.55 113.69 1nqx h SER 56 Ca -0.30 -0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.77 1nqx h SER 56 Cb 1.24 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 1nqx h SER 56 CO 0.43 0.14 0.60 -0.25 -1.14 0.00 0.00 176.83 176.61 1nqx h TRP 57 N 0.23 1.00 -0.00 3.45 2.91 -1.96 -1.85 115.95 119.73 1nqx h TRP 57 Ca 0.13 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.18 1nqx h TRP 57 Cb 0.22 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 28.55 1nqx h TRP 57 CO -0.00 0.41 -0.26 0.39 -1.03 0.00 0.00 178.44 177.96 1nqx n GLU 58 N -4.57 0.31 -0.03 2.65 4.71 -0.46 -4.26 120.64 118.98 1nqx n GLU 58 Ca 0.17 -0.13 -0.09 0.00 -0.01 0.00 0.00 57.16 57.09 1nqx n GLU 58 Cb 0.36 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.27 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 0.33 0.96 -0.33 -3.67 2.04 -1.26 -3.17 117.51 112.40 1nqx h ILE 59 Ca 0.00 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1nqx h ILE 59 Cb 0.46 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1nqx h ILE 59 CO 0.00 0.03 0.08 -0.65 0.00 0.00 0.00 178.15 177.61 1nqx h PRO 60 N 0.15 0.20 -0.76 2.37 0.11 -1.77 0.65 132.00 132.96 1nqx h PRO 60 Ca 0.08 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1nqx h PRO 60 Cb 0.05 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.08 1nqx h PRO 60 CO -0.08 0.13 0.42 -0.24 -0.21 0.00 0.00 178.00 178.03 1nqx h VAL 61 N 0.21 1.22 -0.39 3.15 3.04 -1.84 0.12 116.25 121.76 1nqx h VAL 61 Ca 0.15 -0.53 -0.14 0.00 -1.01 0.00 0.00 66.70 65.17 1nqx h VAL 61 Cb 0.16 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.61 1nqx h VAL 61 CO -0.19 0.24 -0.31 0.00 -1.01 0.00 0.00 177.57 176.30 1nqx h ALA 62 N 1.42 0.57 -0.21 3.17 0.00 -1.44 -3.04 119.26 119.72 1nqx h ALA 62 Ca 0.27 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1nqx h ALA 62 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1nqx h ALA 62 CO -0.05 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 1nqx h ALA 63 N 0.79 1.50 -0.39 0.00 0.00 -0.11 -1.59 119.26 119.45 1nqx h ALA 63 Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1nqx h ALA 63 Cb 0.90 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1nqx h ALA 63 CO 0.08 0.36 0.02 0.78 0.00 0.00 0.00 179.25 180.49 1nqx h GLY 64 N 0.73 0.66 1.03 0.00 0.00 -0.68 0.14 103.07 104.95 1nqx h GLY 64 Ca 0.07 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 46.81 1nqx h GLY 64 CO 0.02 0.37 -0.67 0.83 0.00 0.00 0.00 176.54 177.08 1nqx h GLU 65 N 0.59 0.66 -0.44 4.80 4.39 -1.22 -2.99 114.58 120.36 1nqx h GLU 65 Ca 0.13 -0.55 -0.10 0.00 0.34 0.00 0.00 59.36 59.18 1nqx h GLU 65 Cb 0.34 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1nqx h GLU 65 CO 0.01 1.17 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.86 1nqx h LEU 66 N 0.33 0.85 -1.82 1.33 3.38 -1.18 -2.98 115.31 115.22 1nqx h LEU 66 Ca -0.05 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1nqx h LEU 66 Cb 1.31 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1nqx h LEU 66 CO 0.14 1.01 -0.07 0.00 0.09 0.00 0.00 178.44 179.61 1nqx h ALA 67 N 0.87 1.08 0.00 1.53 0.00 -0.80 -1.70 119.26 120.24 1nqx h ALA 67 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nqx h ALA 67 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1nqx h ALA 67 CO 0.04 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.92 1nqx n ARG 68 N -3.30 0.05 -2.31 0.00 1.74 -1.13 -4.80 116.66 106.92 1nqx n ARG 68 Ca -0.01 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 1nqx n ARG 68 Cb 0.26 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 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 -3.03 4.36 0.53 5.56 1.02 -0.64 -4.91 119.74 122.63 1nqx s LYS 69 Ca 0.12 1.88 0.31 0.00 0.02 0.00 0.00 55.97 58.30 1nqx s LYS 69 Cb 0.17 -3.41 1.45 0.00 -0.52 0.00 0.00 37.83 35.51 1nqx s LYS 69 CO 0.51 -0.41 2.04 1.49 -0.92 0.00 0.00 175.35 178.06 1nqx h GLU 70 N 7.15 0.00 -0.65 1.68 4.81 -1.88 -2.57 114.58 123.12 1nqx h GLU 70 Ca -0.40 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1nqx h GLU 70 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1nqx h GLU 70 CO 0.86 0.10 0.01 -0.40 -0.73 0.00 0.00 179.01 178.84 1nqx n ASP 71 N -3.38 4.97 -4.23 1.04 5.75 -1.26 -4.80 116.55 114.66 1nqx n ASP 71 Ca -0.01 -2.79 -0.34 0.00 -0.01 0.00 0.00 54.79 51.64 1nqx n ASP 71 Cb 0.27 -0.66 -0.15 0.00 -1.03 0.00 0.00 41.12 39.55 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 -2.49 2.66 0.04 2.12 -1.09 -0.97 -4.76 121.20 116.72 1nqx s ILE 72 Ca 0.46 -0.75 0.10 0.00 -2.23 0.00 0.00 60.65 58.23 1nqx s ILE 72 Cb 0.35 -2.16 -0.20 0.00 -1.58 0.00 0.00 42.46 38.88 1nqx s ILE 72 CO 0.13 0.50 1.09 0.44 -1.23 0.00 0.00 174.94 175.87 1nqx h ASP 73 N 7.79 0.00 -4.87 3.58 3.32 -0.99 -3.47 116.42 121.79 1nqx h ASP 73 Ca -0.40 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1nqx h ASP 73 Cb 1.16 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.53 1nqx h ASP 73 CO 0.61 0.95 0.26 0.00 -1.72 0.00 0.00 179.24 179.34 1nqx s ALA 74 N -2.70 -1.76 -0.06 3.45 0.00 -1.23 -4.47 121.76 115.00 1nqx s ALA 74 Ca -0.01 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.15 1nqx s ALA 74 Cb 0.09 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 1nqx s ALA 74 CO 0.82 -0.47 -0.18 0.08 0.00 0.00 0.00 175.76 176.00 1nqx s VAL 75 N -1.86 2.67 -0.23 0.00 1.01 -0.64 -1.25 120.40 120.10 1nqx s VAL 75 Ca -0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1nqx s VAL 75 Cb -0.00 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1nqx s VAL 75 CO 0.03 0.58 -0.04 -0.63 0.00 0.00 0.00 175.10 175.03 1nqx s ILE 76 N -0.44 3.31 -0.19 2.22 1.01 0.93 -0.42 121.20 127.62 1nqx s ILE 76 Ca 0.05 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 1nqx s ILE 76 Cb -0.12 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1nqx s ILE 76 CO 0.02 0.38 0.34 0.00 0.00 0.00 0.00 174.94 175.67 1nqx s ALA 77 N 1.46 3.57 -0.10 9.38 0.00 -0.60 -1.52 121.76 133.95 1nqx s ALA 77 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1nqx s ALA 77 Cb -0.15 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.48 1nqx s ALA 77 CO -0.03 -0.13 -0.08 0.42 0.00 0.00 0.00 175.76 175.94 1nqx s ILE 78 N 0.94 0.95 0.22 0.00 1.01 0.24 0.44 121.20 125.00 1nqx s ILE 78 Ca 0.17 -0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.32 1nqx s ILE 78 Cb -0.14 -0.96 0.05 0.00 0.01 0.00 0.00 42.46 41.42 1nqx s ILE 78 CO 0.06 0.35 0.88 -0.83 0.00 0.00 0.00 174.94 175.40 1nqx s GLY 79 N 1.48 -0.09 -0.13 6.18 0.00 -1.11 -2.02 107.32 111.62 1nqx s GLY 79 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 44.72 44.56 1nqx s GLY 79 CO -0.05 0.19 0.02 0.14 0.00 0.00 0.00 173.10 173.39 1nqx s VAL 80 N -3.27 0.45 -0.19 1.40 1.01 -1.26 -1.10 120.40 117.45 1nqx s VAL 80 Ca 0.13 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 1nqx s VAL 80 Cb -0.03 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1nqx s VAL 80 CO 0.05 0.05 0.01 -0.76 0.00 0.00 0.00 175.10 174.45 1nqx s LEU 81 N 1.92 3.41 -0.10 3.92 1.43 0.39 -4.73 118.68 124.92 1nqx s LEU 81 Ca 0.02 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1nqx s LEU 81 Cb -0.14 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1nqx s LEU 81 CO -0.07 0.10 -0.20 -0.63 0.23 0.00 0.00 176.35 175.79 1nqx s ILE 82 N 0.78 1.78 0.27 -0.59 1.01 -1.26 -0.69 121.20 122.50 1nqx s ILE 82 Ca 0.01 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 1nqx s ILE 82 Cb -0.14 -1.57 -0.11 0.00 0.01 0.00 0.00 42.46 40.65 1nqx s ILE 82 CO 0.02 0.50 1.60 -0.60 0.00 0.00 0.00 174.94 176.46 1nqx s ARG 83 N 0.59 4.13 0.00 2.79 3.52 -0.09 -4.93 118.95 124.96 1nqx s ARG 83 Ca -0.14 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 1nqx s ARG 83 Cb -0.17 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 1nqx s ARG 83 CO 0.04 -0.64 0.00 0.41 -0.81 0.00 0.00 175.30 174.31 1nqx n GLY 84 N 2.48 2.25 0.18 8.12 0.00 -1.26 -4.82 105.19 112.13 1nqx n GLY 84 Ca 0.09 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.85 0.84 -1.52 4.61 0.00 -2.01 -3.46 119.26 116.86 1nqx h ALA 85 Ca 0.00 -0.25 -0.53 0.00 0.00 0.00 0.00 54.91 54.12 1nqx h ALA 85 Cb 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1nqx h ALA 85 CO 0.00 0.35 -0.44 0.95 0.00 0.00 0.00 179.25 180.11 1nqx s THR 86 N -3.15 2.44 -2.00 0.00 -4.23 -1.26 -5.01 115.64 102.44 1nqx s THR 86 Ca 0.05 -1.53 0.07 0.00 -1.18 0.00 0.00 61.69 59.09 1nqx s THR 86 Cb 0.07 -2.97 0.20 0.00 1.34 0.00 0.00 72.50 71.13 1nqx s THR 86 CO 0.70 0.00 1.00 -0.81 -0.54 0.00 0.00 174.62 174.97 1nqx n PRO 87 N -1.39 0.68 -0.25 3.99 -0.04 -1.26 -4.14 135.00 132.58 1nqx n PRO 87 Ca 0.01 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.53 1nqx n PRO 87 Cb 0.63 -1.16 0.19 0.00 -0.04 0.00 0.00 33.50 33.12 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 0.23 -0.76 0.54 2.76 -1.95 -0.49 115.15 115.48 1nqx h HIS 88 Ca 0.00 0.05 0.17 0.00 -2.20 0.00 0.00 60.37 58.39 1nqx h HIS 88 Cb 0.00 0.02 -0.12 0.00 1.55 0.00 0.00 27.41 28.85 1nqx h HIS 88 CO 0.00 -0.13 0.11 0.35 -1.30 0.00 0.00 177.93 176.97 1nqx h PHE 89 N 0.23 0.15 -0.34 5.26 3.57 -1.92 -1.48 116.94 122.41 1nqx h PHE 89 Ca 0.43 0.05 0.03 0.00 3.53 0.00 0.00 57.97 62.01 1nqx h PHE 89 Cb 0.75 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 1nqx h PHE 89 CO -0.29 -0.17 0.15 -0.44 -2.23 0.00 0.00 178.31 175.34 1nqx h ASP 90 N 0.19 0.20 -0.26 0.41 3.45 -1.40 0.52 116.42 119.54 1nqx h ASP 90 Ca 0.43 0.02 -0.17 0.00 0.43 0.00 0.00 57.03 57.74 1nqx h ASP 90 Cb 0.77 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.52 1nqx h ASP 90 CO -0.59 0.16 -0.49 1.88 -1.57 0.00 0.00 179.24 178.63 1nqx h TYR 91 N 0.32 1.03 -0.13 4.55 -1.99 -1.25 -0.50 116.97 119.00 1nqx h TYR 91 Ca 0.15 -0.34 -0.02 0.00 2.00 0.00 0.00 58.73 60.51 1nqx h TYR 91 Cb 0.08 -0.20 -0.00 0.00 2.00 0.00 0.00 36.73 38.60 1nqx h TYR 91 CO -0.11 1.16 -0.01 0.82 -0.00 0.00 0.00 178.16 180.01 1nqx h ILE 92 N 0.66 1.26 -0.95 -2.88 1.08 -1.17 -1.92 117.51 113.59 1nqx h ILE 92 Ca 0.03 -0.86 0.01 0.00 -0.39 0.00 0.00 64.86 63.65 1nqx h ILE 92 Cb 1.08 1.58 -0.05 0.00 -3.07 0.00 0.00 36.82 36.36 1nqx h ILE 92 CO 0.11 0.25 0.63 0.00 -0.69 0.00 0.00 178.15 178.45 1nqx h ALA 93 N 0.74 1.21 -0.28 1.87 0.00 -0.87 0.46 119.26 122.39 1nqx h ALA 93 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1nqx h ALA 93 Cb 0.39 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nqx h ALA 93 CO 0.01 0.59 0.06 0.77 0.00 0.00 0.00 179.25 180.68 1nqx h SER 94 N 1.28 0.44 0.42 0.00 0.02 -1.04 -2.30 113.55 112.37 1nqx h SER 94 Ca 0.35 -0.25 -0.15 0.00 -0.84 0.00 0.00 61.79 60.90 1nqx h SER 94 Cb -0.14 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1nqx h SER 94 CO -0.08 0.58 -0.64 -0.33 -1.14 0.00 0.00 176.83 175.22 1nqx h GLU 95 N 0.29 0.20 -0.24 3.45 4.39 -0.96 -0.85 114.58 120.86 1nqx h GLU 95 Ca 0.09 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1nqx h GLU 95 Cb 0.32 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1nqx h GLU 95 CO 0.00 0.77 -0.29 -0.24 -1.16 0.00 0.00 179.01 178.10 1nqx h VAL 96 N 0.15 1.32 -0.37 3.13 3.04 -0.89 -1.11 116.25 121.51 1nqx h VAL 96 Ca -0.01 -1.47 -0.06 0.00 -1.01 0.00 0.00 66.70 64.15 1nqx h VAL 96 Cb 1.15 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 32.12 1nqx h VAL 96 CO 0.10 0.46 0.00 0.77 -1.01 0.00 0.00 177.57 177.89 1nqx h SER 97 N 0.33 0.64 -0.60 3.17 4.64 -1.42 -2.14 113.55 118.17 1nqx h SER 97 Ca 0.03 -0.31 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 1nqx h SER 97 Cb 0.86 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 1nqx h SER 97 CO 0.07 0.79 0.20 0.50 -0.87 0.00 0.00 176.83 177.52 1nqx h LYS 98 N 0.48 0.92 -0.09 4.77 3.64 -1.12 -2.24 116.57 122.91 1nqx h LYS 98 Ca 0.11 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1nqx h LYS 98 Cb 0.46 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1nqx h LYS 98 CO 0.02 0.81 0.05 0.78 -2.27 0.00 0.00 179.45 178.84 1nqx h GLY 99 N 0.84 0.14 1.00 5.01 0.00 -1.15 0.03 103.07 108.95 1nqx h GLY 99 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1nqx h GLY 99 CO -0.01 0.06 0.26 1.41 0.00 0.00 0.00 176.54 178.27 1nqx h LEU 100 N 0.04 0.48 -0.47 3.11 3.38 -1.36 -0.12 115.31 120.37 1nqx h LEU 100 Ca 0.03 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1nqx h LEU 100 Cb 0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1nqx h LEU 100 CO -0.00 0.36 0.09 0.00 0.09 0.00 0.00 178.44 178.98 1nqx h ALA 101 N 1.14 0.62 -0.59 1.53 0.00 -1.25 -1.36 119.26 119.34 1nqx h ALA 101 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nqx h ALA 101 Cb -0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1nqx h ALA 101 CO -0.03 0.33 0.38 -0.91 0.00 0.00 0.00 179.25 179.02 1nqx h ASN 102 N 0.64 0.69 -0.77 0.00 -0.26 -0.84 -2.25 115.58 112.80 1nqx h ASN 102 Ca 0.14 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.82 1nqx h ASN 102 Cb 0.36 -0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 37.41 1nqx h ASN 102 CO 0.01 0.52 0.37 -0.07 -1.06 0.00 0.00 177.43 177.20 1nqx h LEU 103 N 0.80 1.00 -0.40 1.61 3.38 -0.79 0.43 115.31 121.35 1nqx h LEU 103 Ca 0.22 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1nqx h LEU 103 Cb -0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1nqx h LEU 103 CO -0.04 0.85 0.21 -1.28 0.09 0.00 0.00 178.44 178.27 1nqx h SER 104 N 1.08 0.32 -0.43 -0.43 0.87 -0.92 0.35 113.55 114.39 1nqx h SER 104 Ca 0.26 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.73 1nqx h SER 104 Cb 0.12 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1nqx h SER 104 CO -0.03 0.23 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.28 1nqx h LEU 105 N 0.43 0.88 -0.46 2.23 3.38 -1.12 0.12 115.31 120.77 1nqx h LEU 105 Ca 0.17 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1nqx h LEU 105 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1nqx h LEU 105 CO -0.11 1.06 0.10 -0.08 0.09 0.00 0.00 178.44 179.50 1nqx h GLU 106 N 0.69 0.75 -0.02 1.13 4.81 -0.62 -3.05 114.58 118.27 1nqx h GLU 106 Ca 0.10 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1nqx h GLU 106 Cb 0.70 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1nqx h GLU 106 CO 0.05 0.75 -0.08 1.28 -0.73 0.00 0.00 179.01 180.29 1nqx n LEU 107 N -4.48 1.69 -3.93 1.64 4.77 0.09 -4.96 117.00 111.82 1nqx n LEU 107 Ca 0.01 -0.55 -0.28 0.00 -0.03 0.00 0.00 56.01 55.15 1nqx n LEU 107 Cb 0.23 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1nqx n LEU 107 CO 0.40 0.29 -0.21 0.54 -1.33 0.00 0.00 177.39 177.07 1nqx n ARG 108 N 0.20 -2.61 -3.78 3.23 1.74 0.37 -4.98 116.66 110.84 1nqx n ARG 108 Ca 0.16 0.38 -0.13 0.00 -0.77 0.00 0.00 57.85 57.50 1nqx n ARG 108 Cb 0.40 -4.29 -0.12 0.00 -1.02 0.00 0.00 32.46 27.43 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 -6.54 0.24 0.18 5.56 2.20 -0.86 -5.06 119.74 115.48 1nqx s LYS 109 Ca 0.12 0.36 -0.31 0.00 -0.36 0.00 0.00 55.97 55.78 1nqx s LYS 109 Cb -0.05 0.06 -0.10 0.00 -1.51 0.00 0.00 37.83 36.24 1nqx s LYS 109 CO 0.89 -0.07 1.48 -2.14 -0.36 0.00 0.00 175.35 175.16 1nqx s PRO 110 N 0.41 4.26 -0.14 4.03 0.02 -1.26 -4.48 135.00 137.84 1nqx s PRO 110 Ca -0.02 2.27 -0.01 0.00 0.02 0.00 0.00 61.00 63.25 1nqx s PRO 110 Cb -0.04 -3.16 0.04 0.00 0.02 0.00 0.00 34.50 31.36 1nqx s PRO 110 CO -0.02 -0.50 -0.02 0.42 -0.33 0.00 0.00 177.00 176.55 1nqx s ILE 111 N 0.71 0.79 0.23 2.83 1.01 -1.26 -1.61 121.20 123.91 1nqx s ILE 111 Ca 0.65 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1nqx s ILE 111 Cb -0.41 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 1nqx s ILE 111 CO 0.35 0.13 0.37 0.42 0.00 0.00 0.00 174.94 176.21 1nqx s THR 112 N 1.78 5.25 -0.53 2.92 -4.23 0.44 -4.92 115.64 116.34 1nqx s THR 112 Ca 0.02 -0.79 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 1nqx s THR 112 Cb -0.14 -3.82 0.14 0.00 1.34 0.00 0.00 72.50 70.01 1nqx s THR 112 CO -0.07 -0.30 0.38 0.12 -0.54 0.00 0.00 174.62 174.21 1nqx s PHE 113 N -1.97 3.49 -0.46 3.99 5.36 -1.26 -1.56 117.98 125.58 1nqx s PHE 113 Ca 0.35 -2.29 0.04 0.00 -0.96 0.00 0.00 56.93 54.07 1nqx s PHE 113 Cb -0.10 -3.36 0.51 0.00 -0.34 0.00 0.00 43.02 39.73 1nqx s PHE 113 CO 0.30 -0.94 1.70 0.41 -1.46 0.00 0.00 175.22 175.23 1nqx n GLY 114 N 4.30 5.49 3.45 13.12 0.00 0.17 -4.74 105.19 126.98 1nqx n GLY 114 Ca 0.00 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 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 -4.10 4.64 0.24 1.61 1.01 -1.22 -2.73 120.40 119.85 1nqx s VAL 115 Ca 0.56 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1nqx s VAL 115 Cb 0.46 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 1nqx s VAL 115 CO 0.02 0.08 1.17 -0.63 0.00 0.00 0.00 175.10 175.75 1nqx s ILE 116 N 1.62 3.44 -0.51 2.22 1.01 -0.25 -4.92 121.20 123.81 1nqx s ILE 116 Ca 0.05 1.32 0.03 0.00 0.00 0.00 0.00 60.65 62.05 1nqx s ILE 116 Cb -0.17 -3.84 0.15 0.00 0.01 0.00 0.00 42.46 38.61 1nqx s ILE 116 CO 0.06 0.26 0.32 0.42 0.00 0.00 0.00 174.94 176.01 1nqx s THR 117 N -0.59 1.82 -0.03 2.92 -4.23 -1.26 -0.46 115.64 113.82 1nqx s THR 117 Ca 0.49 -3.12 -0.01 0.00 -1.18 0.00 0.00 61.69 57.87 1nqx s THR 117 Cb -0.33 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1nqx s THR 117 CO 0.40 -0.95 0.07 0.00 -0.54 0.00 0.00 174.62 173.60 1nqx s ALA 118 N -0.24 3.54 0.18 3.99 0.00 0.14 -5.00 121.76 124.37 1nqx s ALA 118 Ca 0.21 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.39 1nqx s ALA 118 Cb -0.16 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.41 1nqx s ALA 118 CO -0.07 0.66 1.41 -0.44 0.00 0.00 0.00 175.76 177.33 1nqx h ASP 119 N 4.38 0.10 -3.87 0.00 3.32 -1.93 -0.22 116.42 118.19 1nqx h ASP 119 Ca -0.50 -0.08 -0.35 0.00 0.02 0.00 0.00 57.03 56.12 1nqx h ASP 119 Cb 1.19 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.56 1nqx h ASP 119 CO 0.60 0.89 -0.70 0.42 -1.72 0.00 0.00 179.24 178.74 1nqx s THR 120 N -3.16 1.18 0.22 0.35 -4.23 -1.26 -3.95 115.64 104.78 1nqx s THR 120 Ca -0.01 -2.07 -0.08 0.00 -1.18 0.00 0.00 61.69 58.35 1nqx s THR 120 Cb 0.11 -2.01 0.18 0.00 1.34 0.00 0.00 72.50 72.12 1nqx s THR 120 CO 0.81 -0.61 1.84 0.25 -0.54 0.00 0.00 174.62 176.37 1nqx h LEU 121 N 2.67 1.05 -0.59 4.79 5.85 -1.92 -2.34 115.31 124.82 1nqx h LEU 121 Ca -0.37 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.32 1nqx h LEU 121 Cb 1.20 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 1nqx h LEU 121 CO 0.64 0.85 0.27 -0.08 -0.34 0.00 0.00 178.44 179.77 1nqx h GLU 122 N 1.17 0.49 -0.71 1.25 4.81 -1.99 -0.11 114.58 119.48 1nqx h GLU 122 Ca 0.29 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1nqx h GLU 122 Cb 0.03 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1nqx h GLU 122 CO -0.05 0.32 0.36 1.96 -0.73 0.00 0.00 179.01 180.88 1nqx h GLN 123 N 0.50 1.00 -0.35 1.92 4.20 -1.87 -0.77 115.11 119.75 1nqx h GLN 123 Ca 0.28 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 1nqx h GLN 123 Cb 0.26 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1nqx h GLN 123 CO -0.23 0.76 -0.09 0.00 -0.67 0.00 0.00 178.83 178.60 1nqx h ALA 124 N 1.39 0.49 -0.71 3.87 0.00 -0.79 -2.76 119.26 120.75 1nqx h ALA 124 Ca 0.25 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1nqx h ALA 124 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1nqx h ALA 124 CO -0.04 0.34 0.38 0.82 0.00 0.00 0.00 179.25 180.76 1nqx h ILE 125 N 0.48 1.22 -0.64 0.00 2.04 -0.68 -2.08 117.51 117.84 1nqx h ILE 125 Ca 0.09 -0.56 0.13 0.00 1.00 0.00 0.00 64.86 65.52 1nqx h ILE 125 Cb 0.60 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1nqx h ILE 125 CO 0.04 0.24 0.44 -0.33 0.00 0.00 0.00 178.15 178.54 1nqx h GLU 126 N 0.98 0.30 -0.21 2.37 5.08 -1.00 -2.51 114.58 119.58 1nqx h GLU 126 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1nqx h GLU 126 Cb 0.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1nqx h GLU 126 CO -0.04 0.20 0.00 0.54 -1.00 0.00 0.00 179.01 178.71 1nqx n ARG 127 N -4.45 2.21 -2.31 2.33 1.74 -0.84 -0.45 116.66 114.89 1nqx n ARG 127 Ca 0.12 -2.01 -0.29 0.00 -0.77 0.00 0.00 57.85 54.89 1nqx n ARG 127 Cb 0.49 -1.44 0.01 0.00 -1.02 0.00 0.00 32.46 30.50 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 1.28 5.38 -0.00 7.54 0.00 -0.86 -1.67 120.51 132.18 1nqx n ALA 128 Ca 0.15 -4.23 0.00 0.00 0.00 0.00 0.00 53.44 49.37 1nqx n ALA 128 Cb 0.55 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.52 1.00 0.00 0.00 0.00 0.50 -4.72 105.19 101.45 1nqx n GLY 129 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.00 0.00 0.24 2.61 -2.24 -1.18 -4.92 114.28 106.79 1nqx n THR 130 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1nqx n THR 130 Cb 0.00 0.00 0.75 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.61 -0.78 2.10 -1.83 -0.95 116.57 114.50 1nqx h LYS 131 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.36 1nqx h LYS 131 Cb 0.00 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.16 1nqx h LYS 131 CO 0.00 0.00 0.21 0.72 -2.00 0.00 0.00 179.45 178.38 1nqx n HIS 132 N -4.23 1.89 -3.88 0.07 8.25 0.40 -5.05 115.22 112.67 1nqx n HIS 132 Ca -0.01 -1.59 0.00 0.00 -0.26 0.00 0.00 57.72 55.85 1nqx n HIS 132 Cb 0.17 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.62 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 -0.99 -0.78 2.64 -1.41 0.00 -0.36 -4.67 105.19 99.62 1nqx n GLY 133 Ca 0.42 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 2.72 0.53 1.61 3.84 -1.25 -0.37 114.94 118.01 1nqx s ASN 134 Ca 0.00 -0.80 0.19 0.00 0.21 0.00 0.00 52.86 52.46 1nqx s ASN 134 Cb 0.00 -0.37 1.37 0.00 -0.55 0.00 0.00 41.25 41.69 1nqx s ASN 134 CO 0.00 -0.35 2.15 0.50 -2.79 0.00 0.00 177.10 176.61 1nqx h LYS 135 N 8.36 0.00 -0.31 0.43 1.63 -1.64 -1.79 116.57 123.25 1nqx h LYS 135 Ca -0.16 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.59 1nqx h LYS 135 Cb 1.12 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 1nqx h LYS 135 CO 0.33 0.03 -0.00 0.78 -3.45 0.00 0.00 179.45 177.14 1nqx h GLY 136 N 0.11 0.60 1.00 5.01 0.00 -1.83 -0.71 103.07 107.26 1nqx h GLY 136 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1nqx h GLY 136 CO 0.00 0.41 0.34 -0.25 0.00 0.00 0.00 176.54 177.04 1nqx h TRP 137 N 0.35 0.65 -0.36 5.60 7.01 -1.56 -0.86 115.95 126.78 1nqx h TRP 137 Ca 0.09 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1nqx h TRP 137 Cb 0.45 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 1nqx h TRP 137 CO 0.04 0.41 0.20 1.49 -2.79 0.00 0.00 178.44 177.79 1nqx h GLU 138 N 0.70 0.50 -0.27 2.65 4.81 -1.19 -0.62 114.58 121.16 1nqx h GLU 138 Ca 0.19 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1nqx h GLU 138 Cb -0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1nqx h GLU 138 CO -0.04 0.40 -0.29 0.00 -0.73 0.00 0.00 179.01 178.35 1nqx h ALA 139 N 1.07 0.99 -0.38 2.92 0.00 -0.99 -1.14 119.26 121.73 1nqx h ALA 139 Ca 0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1nqx h ALA 139 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1nqx h ALA 139 CO -0.02 0.60 0.06 0.00 0.00 0.00 0.00 179.25 179.89 1nqx h ALA 140 N 1.21 0.50 -0.65 0.00 0.00 -0.87 -1.43 119.26 118.02 1nqx h ALA 140 Ca 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1nqx h ALA 140 Cb 0.75 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1nqx h ALA 140 CO 0.06 0.21 0.38 1.25 0.00 0.00 0.00 179.25 181.15 1nqx h LEU 141 N 0.47 0.79 -0.65 0.00 5.85 -0.87 -0.48 115.31 120.42 1nqx h LEU 141 Ca 0.11 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1nqx h LEU 141 Cb 0.37 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1nqx h LEU 141 CO 0.01 0.64 0.36 -1.28 -0.34 0.00 0.00 178.44 177.82 1nqx h SER 142 N 0.88 0.53 -0.65 1.25 0.87 -1.06 -1.76 113.55 113.61 1nqx h SER 142 Ca 0.23 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1nqx h SER 142 Cb 0.00 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1nqx h SER 142 CO -0.04 0.34 0.23 0.00 -0.53 0.00 0.00 176.83 176.83 1nqx h ALA 143 N 1.34 1.12 -0.02 6.23 0.00 -0.44 0.10 119.26 127.59 1nqx h ALA 143 Ca 0.29 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nqx h ALA 143 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nqx h ALA 143 CO -0.18 0.61 -0.02 0.82 0.00 0.00 0.00 179.25 180.48 1nqx h ILE 144 N 0.99 0.94 -0.40 0.00 2.04 -0.81 0.52 117.51 120.80 1nqx h ILE 144 Ca 0.22 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 1nqx h ILE 144 Cb 0.26 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1nqx h ILE 144 CO -0.01 0.00 0.23 -0.08 0.00 0.00 0.00 178.15 178.29 1nqx h GLU 145 N -0.02 0.55 -0.34 2.37 4.81 -0.89 -1.33 114.58 119.72 1nqx h GLU 145 Ca 0.02 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1nqx h GLU 145 Cb 0.05 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1nqx h GLU 145 CO -0.04 0.43 -0.28 0.52 -0.73 0.00 0.00 179.01 178.91 1nqx h MET 146 N 0.52 0.71 -0.33 1.92 2.86 -0.63 0.29 114.93 120.27 1nqx h MET 146 Ca 0.14 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1nqx h MET 146 Cb 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1nqx h MET 146 CO -0.02 0.91 0.09 0.00 1.06 0.00 0.00 176.91 178.94 1nqx h ALA 147 N 1.08 0.44 -0.52 6.32 0.00 -0.66 -0.24 119.26 125.67 1nqx h ALA 147 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nqx h ALA 147 Cb 0.78 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1nqx h ALA 147 CO 0.06 0.09 0.35 -0.91 0.00 0.00 0.00 179.25 178.84 1nqx h ASN 148 N 0.38 0.61 -0.55 0.00 2.35 -1.06 -2.32 115.58 114.98 1nqx h ASN 148 Ca 0.11 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1nqx h ASN 148 Cb 0.28 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1nqx h ASN 148 CO -0.00 0.44 0.30 0.25 -1.65 0.00 0.00 177.43 176.77 1nqx h LEU 149 N 0.71 0.45 -1.67 1.61 5.85 -0.67 -2.33 115.31 119.26 1nqx h LEU 149 Ca 0.19 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1nqx h LEU 149 Cb -0.08 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1nqx h LEU 149 CO -0.04 0.30 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.96 1nqx h PHE 150 N 0.58 0.00 -0.25 1.25 -1.00 -0.74 -0.03 116.94 116.74 1nqx h PHE 150 Ca 0.24 0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.09 1nqx h PHE 150 Cb 0.12 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1nqx h PHE 150 CO -0.09 0.15 0.18 0.87 -1.61 0.00 0.00 178.31 177.81 1nqx h LYS 151 N 0.00 0.02 0.00 1.51 1.57 -0.86 -0.53 116.57 118.27 1nqx h LYS 151 Ca -0.00 -0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1nqx h LYS 151 Cb 0.47 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 1nqx h LYS 151 CO 0.02 0.01 -2.07 -1.13 -0.57 0.00 0.00 179.45 175.71 1nqx n SER 152 N -4.47 1.44 0.11 0.86 3.41 -0.56 -4.71 113.62 109.70 1nqx n SER 152 Ca 0.03 -0.02 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 1nqx n SER 152 Cb 0.32 0.64 -0.13 0.00 -0.26 0.00 0.00 64.21 64.78 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 0.77 0.00 1.04 5.85 -0.88 -3.53 115.31 118.56 1nqx h LEU 153 Ca -0.42 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.54 1nqx h LEU 153 Cb 1.90 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1nqx h LEU 153 CO 0.00 1.57 0.00 -1.14 -0.34 0.00 0.00 178.44 178.54