#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 4.38 -0.09 2.12 -0.21 -1.26 -5.05 119.66 119.56 1nqx s GLN 2 Ca 0.00 0.98 0.03 0.00 0.02 0.00 0.00 55.36 56.39 1nqx s GLN 2 Cb 0.00 -3.51 0.01 0.00 1.00 0.00 0.00 33.01 30.51 1nqx s GLN 2 CO 0.00 -0.12 -0.18 0.42 -2.12 0.00 0.00 175.29 173.29 1nqx s ILE 3 N 1.43 1.59 -0.07 1.08 1.01 -1.26 -5.12 121.20 119.86 1nqx s ILE 3 Ca 0.39 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.36 1nqx s ILE 3 Cb -0.18 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1nqx s ILE 3 CO 0.17 0.46 -0.24 -0.31 0.00 0.00 0.00 174.94 175.01 1nqx s TYR 4 N 0.58 2.40 0.19 3.97 2.02 -1.26 -5.13 117.35 120.12 1nqx s TYR 4 Ca -0.15 -0.77 -0.18 0.00 -0.37 0.00 0.00 57.07 55.59 1nqx s TYR 4 Cb -0.17 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1nqx s TYR 4 CO 0.05 -0.26 0.52 -1.83 -1.57 0.00 0.00 175.55 172.47 1nqx s GLU 5 N -0.03 1.35 -0.16 -0.62 -1.05 -1.26 -5.11 118.70 111.82 1nqx s GLU 5 Ca -0.07 -0.81 -0.05 0.00 -0.15 0.00 0.00 54.97 53.90 1nqx s GLU 5 Cb -0.15 0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 34.04 1nqx s GLU 5 CO 0.05 -0.57 0.01 0.20 0.95 0.00 0.00 175.26 175.89 1nqx s GLY 6 N -2.85 1.81 1.06 -3.83 0.00 -1.26 -4.41 107.32 97.84 1nqx s GLY 6 Ca 0.08 -0.79 -0.17 0.00 0.00 0.00 0.00 44.72 43.84 1nqx s GLY 6 CO -0.05 -0.09 1.18 0.54 0.00 0.00 0.00 173.10 174.69 1nqx s LYS 7 N 0.20 -0.11 -0.10 2.90 1.02 -1.26 -4.85 119.74 117.53 1nqx s LYS 7 Ca 0.01 -0.09 0.14 0.00 0.02 0.00 0.00 55.97 56.05 1nqx s LYS 7 Cb -0.13 -1.73 0.40 0.00 -0.52 0.00 0.00 37.83 35.85 1nqx s LYS 7 CO 0.02 -2.97 1.31 1.28 -0.92 0.00 0.00 175.35 174.07 1nqx n LEU 8 N -4.23 3.29 -4.77 3.17 4.77 -1.26 -4.15 117.00 113.82 1nqx n LEU 8 Ca 0.12 -2.61 -0.39 0.00 -0.03 0.00 0.00 56.01 53.11 1nqx n LEU 8 Cb 0.59 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1nqx n LEU 8 CO 0.48 0.68 0.30 0.42 -1.33 0.00 0.00 177.39 177.94 1nqx s THR 9 N -2.08 4.89 -0.59 -5.08 -4.23 -1.26 -4.86 115.64 102.43 1nqx s THR 9 Ca 0.32 1.25 0.15 0.00 -1.18 0.00 0.00 61.69 62.23 1nqx s THR 9 Cb 0.24 -3.93 0.49 0.00 1.34 0.00 0.00 72.50 70.63 1nqx s THR 9 CO 0.10 0.43 1.40 0.00 -0.54 0.00 0.00 174.62 176.01 1nqx n ALA 10 N 2.64 2.74 -1.67 3.99 0.00 0.19 -4.97 120.51 123.44 1nqx n ALA 10 Ca -0.07 -1.77 -0.47 0.00 0.00 0.00 0.00 53.44 51.13 1nqx n ALA 10 Cb 0.51 -0.67 -0.04 0.00 0.00 0.00 0.00 19.45 19.25 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 0.13 2.10 -0.94 0.00 2.13 -1.24 -1.53 120.64 121.29 1nqx n GLU 11 Ca 0.19 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.77 1nqx n GLU 11 Cb 0.73 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.90 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 3.57 0.92 3.87 8.31 0.00 -1.26 -4.99 105.19 115.60 1nqx n GLY 12 Ca 0.18 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 4.02 -0.09 0.99 1.43 -0.58 -5.06 118.68 119.39 1nqx s LEU 13 Ca 0.00 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1nqx s LEU 13 Cb 0.00 -3.94 0.01 0.00 0.03 0.00 0.00 46.19 42.29 1nqx s LEU 13 CO 0.00 -0.23 -0.17 -0.13 0.23 0.00 0.00 176.35 176.05 1nqx s ARG 14 N -3.23 2.30 0.03 1.70 0.52 -1.26 -4.62 118.95 114.38 1nqx s ARG 14 Ca 0.51 -0.61 0.07 0.00 -0.52 0.00 0.00 55.73 55.18 1nqx s ARG 14 Cb -0.10 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.49 1nqx s ARG 14 CO 0.23 0.04 -0.21 -0.06 0.02 0.00 0.00 175.30 175.32 1nqx s PHE 15 N 0.67 1.89 -0.13 -0.53 0.40 -0.94 -0.61 117.98 118.72 1nqx s PHE 15 Ca -0.13 -0.37 -0.05 0.00 -0.60 0.00 0.00 56.93 55.77 1nqx s PHE 15 Cb -0.16 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.18 1nqx s PHE 15 CO 0.04 0.06 0.06 0.20 0.70 0.00 0.00 175.22 176.27 1nqx s GLY 16 N -0.97 1.95 -0.10 4.36 0.00 -0.65 -0.70 107.32 111.21 1nqx s GLY 16 Ca 0.08 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.10 1nqx s GLY 16 CO 0.01 -0.27 -0.22 -0.42 0.00 0.00 0.00 173.10 172.21 1nqx s ILE 17 N -0.40 1.90 -0.23 0.90 1.01 0.29 0.11 121.20 124.77 1nqx s ILE 17 Ca 0.09 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1nqx s ILE 17 Cb -0.12 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1nqx s ILE 17 CO 0.02 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.75 1nqx s VAL 18 N 0.48 3.27 -0.10 2.92 1.01 -0.44 -0.77 120.40 126.76 1nqx s VAL 18 Ca -0.16 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1nqx s VAL 18 Cb -0.17 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1nqx s VAL 18 CO 0.06 0.36 -0.14 0.00 0.00 0.00 0.00 175.10 175.39 1nqx s ALA 19 N 1.45 1.59 0.68 5.51 0.00 -0.07 -0.59 121.76 130.33 1nqx s ALA 19 Ca 0.05 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 1nqx s ALA 19 Cb -0.15 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.18 1nqx s ALA 19 CO -0.04 -0.08 1.07 -1.54 0.00 0.00 0.00 175.76 175.17 1nqx s SER 20 N 1.01 5.57 -0.00 0.00 1.04 -0.79 -1.88 113.70 118.65 1nqx s SER 20 Ca -0.07 1.13 0.21 0.00 0.48 0.00 0.00 55.95 57.71 1nqx s SER 20 Cb -0.15 -1.98 -0.26 0.00 0.10 0.00 0.00 66.02 63.73 1nqx s SER 20 CO -0.01 -1.24 0.56 0.54 0.98 0.00 0.00 173.24 174.06 1nqx n ARG 21 N -2.93 0.65 -1.86 4.02 1.74 0.36 -4.78 116.66 113.87 1nqx n ARG 21 Ca 0.06 -0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.63 1nqx n ARG 21 Cb 0.57 -1.59 -0.01 0.00 -1.02 0.00 0.00 32.46 30.41 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 -3.37 2.79 -1.41 -1.55 5.36 -0.61 -1.27 117.98 117.92 1nqx s PHE 22 Ca -0.07 0.98 -0.05 0.00 -0.96 0.00 0.00 56.93 56.83 1nqx s PHE 22 Cb 0.12 -3.98 0.01 0.00 -0.34 0.00 0.00 43.02 38.83 1nqx s PHE 22 CO 0.88 -3.12 0.72 0.09 -1.46 0.00 0.00 175.22 172.33 1nqx n ASN 23 N 1.68 -5.93 0.05 6.13 3.02 -1.26 -4.53 115.26 114.42 1nqx n ASN 23 Ca 0.05 -0.33 0.17 0.00 -0.03 0.00 0.00 54.58 54.44 1nqx n ASN 23 Cb 0.39 -4.69 0.67 0.00 -0.61 0.00 0.00 39.78 35.53 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 -1.65 0.03 0.00 3.10 2.07 -1.49 -0.61 115.15 116.60 1nqx h HIS 24 Ca -0.51 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.01 1nqx h HIS 24 Cb 1.34 -0.01 -0.00 0.00 2.57 0.00 0.00 27.41 31.32 1nqx h HIS 24 CO 0.48 0.01 -0.01 0.00 -3.07 0.00 0.00 177.93 175.35 1nqx h ALA 25 N 1.79 1.61 0.03 6.11 0.00 -1.90 0.12 119.26 127.02 1nqx h ALA 25 Ca 0.20 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.72 1nqx h ALA 25 Cb 0.76 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1nqx h ALA 25 CO -0.01 0.01 -2.19 1.28 0.00 0.00 0.00 179.25 178.34 1nqx n LEU 26 N -3.98 2.43 -0.34 0.00 4.77 -0.34 -4.33 117.00 115.21 1nqx n LEU 26 Ca -0.03 0.16 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 1nqx n LEU 26 Cb 0.09 -0.94 0.18 0.00 -2.33 0.00 0.00 43.42 40.42 1nqx n LEU 26 CO 0.29 0.71 1.22 0.58 -1.33 0.00 0.00 177.39 178.86 1nqx h VAL 27 N -0.43 1.01 -0.08 4.08 2.07 -0.99 -1.09 116.25 120.82 1nqx h VAL 27 Ca -0.54 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1nqx h VAL 27 Cb 1.75 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1nqx h VAL 27 CO -0.17 0.19 0.05 0.44 0.02 0.00 0.00 177.57 178.10 1nqx h ASP 28 N 1.03 0.09 -0.29 0.57 3.32 -0.98 0.18 116.42 120.34 1nqx h ASP 28 Ca 0.43 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.30 1nqx h ASP 28 Cb 0.26 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1nqx h ASP 28 CO -0.20 0.07 -0.47 0.03 -1.72 0.00 0.00 179.24 176.94 1nqx h ARG 29 N 0.11 0.86 -0.69 3.56 2.47 -1.40 -1.87 114.38 117.42 1nqx h ARG 29 Ca 0.03 -0.50 -0.01 0.00 -1.26 0.00 0.00 59.98 58.24 1nqx h ARG 29 Cb -0.01 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 1nqx h ARG 29 CO -0.01 1.14 0.40 -0.07 0.56 0.00 0.00 179.97 182.00 1nqx h LEU 30 N 0.68 0.85 -0.57 3.04 3.38 -0.78 -1.33 115.31 120.58 1nqx h LEU 30 Ca 0.03 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1nqx h LEU 30 Cb 1.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1nqx h LEU 30 CO 0.11 0.68 0.15 0.58 0.09 0.00 0.00 178.44 180.04 1nqx h VAL 31 N 0.95 1.25 -0.99 1.22 2.07 -0.96 -0.62 116.25 119.15 1nqx h VAL 31 Ca 0.25 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.94 1nqx h VAL 31 Cb -0.00 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1nqx h VAL 31 CO -0.04 0.32 0.65 -0.33 0.02 0.00 0.00 177.57 178.19 1nqx h GLU 32 N 0.82 1.21 -0.39 1.57 5.08 -1.07 -1.48 114.58 120.30 1nqx h GLU 32 Ca 0.18 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1nqx h GLU 32 Cb 0.33 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1nqx h GLU 32 CO 0.00 0.80 -0.26 0.78 -1.00 0.00 0.00 179.01 179.33 1nqx h GLY 33 N 1.24 0.95 0.97 -3.84 0.00 -0.74 -1.42 103.07 100.24 1nqx h GLY 33 Ca 0.40 -0.90 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1nqx h GLY 33 CO -0.13 0.81 0.11 0.00 0.00 0.00 0.00 176.54 177.33 1nqx h ALA 34 N 0.80 0.64 -0.27 3.60 0.00 -0.74 -1.19 119.26 122.09 1nqx h ALA 34 Ca 0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1nqx h ALA 34 Cb 0.83 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1nqx h ALA 34 CO 0.07 0.34 -0.15 0.82 0.00 0.00 0.00 179.25 180.33 1nqx h ILE 35 N 0.66 1.30 -0.53 0.00 2.04 -1.21 -1.68 117.51 118.09 1nqx h ILE 35 Ca 0.15 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 64.81 1nqx h ILE 35 Cb 0.34 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1nqx h ILE 35 CO 0.00 0.39 0.27 -0.78 0.00 0.00 0.00 178.15 178.04 1nqx h ASP 36 N 0.31 0.39 -0.19 1.72 3.58 -1.10 -0.26 116.42 120.87 1nqx h ASP 36 Ca 0.06 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.57 1nqx h ASP 36 Cb 0.67 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1nqx h ASP 36 CO 0.04 0.27 0.02 0.00 -2.88 0.00 0.00 179.24 176.69 1nqx h ILE 38 N 0.09 0.96 -0.50 0.00 2.04 -0.83 -2.33 117.51 116.94 1nqx h ILE 38 Ca 0.09 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1nqx h ILE 38 Cb 0.09 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1nqx h ILE 38 CO -0.13 0.03 0.16 0.58 0.00 0.00 0.00 178.15 178.79 1nqx h VAL 39 N -0.16 1.23 0.00 1.67 2.07 -0.88 -0.85 116.25 119.33 1nqx h VAL 39 Ca -0.01 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1nqx h VAL 39 Cb 0.13 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1nqx h VAL 39 CO 0.02 0.28 0.00 0.54 0.02 0.00 0.00 177.57 178.43 1nqx n ARG 40 N -4.50 0.07 -0.12 1.57 1.74 -0.21 -1.71 116.66 113.50 1nqx n ARG 40 Ca 0.02 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.20 1nqx n ARG 40 Cb 0.19 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.46 0.32 0.00 -1.55 8.25 -0.88 -4.94 115.22 114.96 1nqx n HIS 41 Ca 0.08 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 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 0.58 3.81 -1.41 0.00 -0.70 0.55 105.19 109.21 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 -1.11 2.31 -0.01 -0.02 0.00 -0.35 -3.65 107.32 104.49 1nqx s GLY 43 Ca 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 44.72 45.00 1nqx s GLY 43 CO 0.00 0.73 0.41 0.50 0.00 0.00 0.00 173.10 174.74 1nqx s ARG 44 N -3.58 3.94 0.49 2.90 0.52 -1.26 -4.15 118.95 117.81 1nqx s ARG 44 Ca 0.64 0.41 0.18 0.00 -0.52 0.00 0.00 55.73 56.43 1nqx s ARG 44 Cb -0.13 -3.24 1.21 0.00 0.52 0.00 0.00 34.95 33.31 1nqx s ARG 44 CO 0.25 0.66 2.06 1.05 0.02 0.00 0.00 175.30 179.34 1nqx h GLU 45 N 4.84 0.00 0.00 3.54 -0.00 -1.95 -1.21 114.58 119.80 1nqx h GLU 45 Ca -0.51 0.00 0.00 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 29.97 1nqx h GLU 45 CO 0.62 0.12 0.00 0.93 -0.00 0.00 0.00 179.01 180.68 1nqx h GLU 46 N 0.00 0.00 -0.53 1.06 3.07 -2.00 -1.30 114.58 114.88 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 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.38 1nqx n ASP 47 N -2.83 2.86 -4.83 1.42 8.00 -0.46 -4.84 116.55 115.87 1nqx n ASP 47 Ca 0.00 -2.07 -0.36 0.00 0.71 0.00 0.00 54.79 53.07 1nqx n ASP 47 Cb 0.22 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.42 5.38 -0.21 0.53 1.01 -0.49 -2.21 121.20 123.78 1nqx s ILE 48 Ca 0.34 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 61.13 1nqx s ILE 48 Cb 0.19 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1nqx s ILE 48 CO 0.22 0.58 -0.09 -0.89 0.00 0.00 0.00 174.94 174.75 1nqx s THR 49 N -0.68 2.99 -0.19 2.92 2.01 0.12 -4.99 115.64 117.83 1nqx s THR 49 Ca 0.13 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 1nqx s THR 49 Cb -0.12 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1nqx s THR 49 CO 0.02 0.45 0.01 -0.22 -0.69 0.00 0.00 174.62 174.20 1nqx s LEU 50 N 1.42 3.40 -0.13 4.42 2.96 -1.26 -0.55 118.68 128.94 1nqx s LEU 50 Ca 0.05 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 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 -0.06 0.11 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.20 1nqx s VAL 51 N 0.74 2.40 -0.09 1.68 1.01 0.05 -4.98 120.40 121.21 1nqx s VAL 51 Ca 0.01 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 1nqx s VAL 51 Cb -0.14 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1nqx s VAL 51 CO 0.02 0.54 0.15 -0.13 0.00 0.00 0.00 175.10 175.68 1nqx s ARG 52 N 0.57 3.43 0.13 2.72 0.52 -1.26 -0.89 118.95 124.17 1nqx s ARG 52 Ca -0.11 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 54.92 1nqx s ARG 52 Cb -0.16 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1nqx s ARG 52 CO 0.04 0.75 -0.01 0.14 0.02 0.00 0.00 175.30 176.24 1nqx s VAL 53 N -1.10 0.52 0.06 3.52 -7.23 -0.79 -4.95 120.40 110.44 1nqx s VAL 53 Ca 0.18 -1.94 -0.28 0.00 -1.81 0.00 0.00 61.98 58.13 1nqx s VAL 53 Cb -0.12 -1.94 -0.17 0.00 0.56 0.00 0.00 36.38 34.71 1nqx s VAL 53 CO 0.08 -0.63 1.57 -0.65 -0.31 0.00 0.00 175.10 175.16 1nqx h PRO 54 N 2.84 -0.53 -4.69 4.82 0.11 -1.93 0.10 132.00 132.73 1nqx h PRO 54 Ca -0.36 0.04 -0.37 0.00 0.11 0.00 0.00 66.00 65.42 1nqx h PRO 54 Cb 1.19 0.12 -0.13 0.00 0.11 0.00 0.00 31.00 32.29 1nqx h PRO 54 CO 0.63 -0.31 -0.48 0.20 -0.21 0.00 0.00 178.00 177.83 1nqx s GLY 55 N -2.25 1.93 0.40 -0.55 0.00 -1.26 -1.58 107.32 104.02 1nqx s GLY 55 Ca -0.16 -1.87 0.09 0.00 0.00 0.00 0.00 44.72 42.79 1nqx s GLY 55 CO 0.62 -1.37 1.99 1.76 0.00 0.00 0.00 173.10 176.10 1nqx h SER 56 N 2.27 0.50 -0.99 1.64 0.02 -1.91 -1.57 113.55 113.50 1nqx h SER 56 Ca -0.28 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.86 1nqx h SER 56 Cb 1.24 -0.10 -0.10 0.00 0.14 0.00 0.00 62.40 63.57 1nqx h SER 56 CO 0.41 0.32 0.61 -0.25 -1.14 0.00 0.00 176.83 176.79 1nqx h TRP 57 N 0.57 0.96 -0.00 3.45 2.91 -1.96 -1.81 115.95 120.07 1nqx h TRP 57 Ca 0.26 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.31 1nqx h TRP 57 Cb 0.29 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1nqx h TRP 57 CO -0.00 0.22 -0.26 0.39 -1.03 0.00 0.00 178.44 177.75 1nqx n GLU 58 N -4.71 0.28 -0.07 2.65 4.71 -0.60 -4.25 120.64 118.66 1nqx n GLU 58 Ca 0.23 -0.12 -0.09 0.00 -0.01 0.00 0.00 57.16 57.17 1nqx n GLU 58 Cb 0.61 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.52 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 0.30 1.01 -0.23 -3.67 2.04 -1.27 -3.17 117.51 112.51 1nqx h ILE 59 Ca 0.00 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1nqx h ILE 59 Cb 0.47 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1nqx h ILE 59 CO 0.00 0.05 0.06 -0.65 0.00 0.00 0.00 178.15 177.61 1nqx h PRO 60 N 0.29 0.15 -0.76 2.37 0.11 -1.77 0.63 132.00 133.03 1nqx h PRO 60 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1nqx h PRO 60 Cb 0.01 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.05 1nqx h PRO 60 CO -0.06 0.10 0.48 -0.24 -0.21 0.00 0.00 178.00 178.07 1nqx h VAL 61 N 0.16 1.20 -0.27 3.15 3.04 -1.83 0.85 116.25 122.55 1nqx h VAL 61 Ca 0.10 -0.41 -0.18 0.00 -1.01 0.00 0.00 66.70 65.20 1nqx h VAL 61 Cb 0.09 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 29.48 1nqx h VAL 61 CO -0.13 0.21 -0.55 0.00 -1.01 0.00 0.00 177.57 176.09 1nqx h ALA 62 N 1.49 0.51 -0.34 3.17 0.00 -1.46 -3.06 119.26 119.57 1nqx h ALA 62 Ca 0.28 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1nqx h ALA 62 Cb -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1nqx h ALA 62 CO -0.06 0.68 0.05 0.00 0.00 0.00 0.00 179.25 179.93 1nqx h ALA 63 N 0.75 1.45 -0.63 0.00 0.00 -0.18 -1.94 119.26 118.71 1nqx h ALA 63 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1nqx h ALA 63 Cb 1.15 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1nqx h ALA 63 CO 0.12 0.40 0.34 0.78 0.00 0.00 0.00 179.25 180.89 1nqx h GLY 64 N 0.77 0.92 0.97 0.00 0.00 -0.76 0.13 103.07 105.10 1nqx h GLY 64 Ca 0.11 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 46.86 1nqx h GLY 64 CO 0.00 0.39 -0.67 0.83 0.00 0.00 0.00 176.54 177.09 1nqx h GLU 65 N 0.87 0.58 -0.49 4.80 4.39 -1.28 -3.01 114.58 120.44 1nqx h GLU 65 Ca 0.22 -0.53 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 1nqx h GLU 65 Cb 0.03 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1nqx h GLU 65 CO -0.04 1.15 0.06 -0.07 -1.16 0.00 0.00 179.01 178.96 1nqx h LEU 66 N 0.19 0.79 -1.77 1.33 3.38 -1.20 -2.93 115.31 115.11 1nqx h LEU 66 Ca -0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1nqx h LEU 66 Cb 1.33 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1nqx h LEU 66 CO 0.14 0.87 -0.10 0.00 0.09 0.00 0.00 178.44 179.43 1nqx h ALA 67 N 0.96 1.12 0.00 1.53 0.00 -0.81 -1.63 119.26 120.43 1nqx h ALA 67 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nqx h ALA 67 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nqx h ALA 67 CO 0.01 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.93 1nqx n ARG 68 N -3.38 0.02 -2.34 0.00 1.74 -1.11 -4.78 116.66 106.81 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 0.27 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 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 -3.01 4.33 0.53 5.56 1.02 -0.61 -4.91 119.74 122.63 1nqx s LYS 69 Ca 0.12 1.83 0.28 0.00 0.02 0.00 0.00 55.97 58.22 1nqx s LYS 69 Cb 0.17 -3.54 1.47 0.00 -0.52 0.00 0.00 37.83 35.41 1nqx s LYS 69 CO 0.48 -0.49 2.07 1.49 -0.92 0.00 0.00 175.35 177.98 1nqx h GLU 70 N 7.55 0.00 -0.66 1.68 4.81 -1.88 -2.32 114.58 123.76 1nqx h GLU 70 Ca -0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1nqx h GLU 70 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1nqx h GLU 70 CO 0.88 0.11 0.00 -0.40 -0.73 0.00 0.00 179.01 178.88 1nqx n ASP 71 N -3.58 4.48 -4.30 1.04 5.68 -1.26 -4.78 116.55 113.83 1nqx n ASP 71 Ca -0.02 -2.62 -0.34 0.00 -0.50 0.00 0.00 54.79 51.32 1nqx n ASP 71 Cb 0.24 -0.61 -0.14 0.00 -1.14 0.00 0.00 41.12 39.47 1nqx n ASP 71 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1nqx s ILE 72 N -2.21 3.04 -0.00 2.12 -1.09 -0.87 -4.76 121.20 117.43 1nqx s ILE 72 Ca 0.42 -0.63 0.11 0.00 -2.23 0.00 0.00 60.65 58.33 1nqx s ILE 72 Cb 0.31 -2.33 -0.18 0.00 -1.58 0.00 0.00 42.46 38.68 1nqx s ILE 72 CO 0.15 0.48 1.02 0.44 -1.23 0.00 0.00 174.94 175.80 1nqx h ASP 73 N 7.59 0.00 -4.95 3.58 3.32 -1.17 -3.47 116.42 121.32 1nqx h ASP 73 Ca -0.37 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 1nqx h ASP 73 Cb 1.18 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.56 1nqx h ASP 73 CO 0.59 0.89 0.22 0.00 -1.72 0.00 0.00 179.24 179.22 1nqx s ALA 74 N -2.73 -1.73 -0.05 3.45 0.00 -1.23 -4.46 121.76 115.01 1nqx s ALA 74 Ca -0.01 1.06 0.05 0.00 0.00 0.00 0.00 51.96 53.06 1nqx s ALA 74 Cb 0.09 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1nqx s ALA 74 CO 0.81 -0.50 -0.18 0.08 0.00 0.00 0.00 175.76 175.97 1nqx s VAL 75 N -2.04 2.68 -0.24 0.00 1.01 -0.64 -1.63 120.40 119.54 1nqx s VAL 75 Ca -0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 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 0.02 0.58 -0.02 -0.63 0.00 0.00 0.00 175.10 175.05 1nqx s ILE 76 N -0.48 3.44 -0.17 2.22 1.01 0.12 -0.32 121.20 127.02 1nqx s ILE 76 Ca 0.06 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 1nqx s ILE 76 Cb -0.12 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1nqx s ILE 76 CO 0.01 0.34 0.37 0.00 0.00 0.00 0.00 174.94 175.66 1nqx s ALA 77 N 1.47 3.55 -0.08 9.38 0.00 -0.71 -1.33 121.76 134.04 1nqx s ALA 77 Ca 0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 1nqx s ALA 77 Cb -0.15 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.46 1nqx s ALA 77 CO -0.02 -0.09 -0.05 0.42 0.00 0.00 0.00 175.76 176.02 1nqx s ILE 78 N 0.84 0.75 0.17 0.00 1.01 0.24 0.44 121.20 124.66 1nqx s ILE 78 Ca 0.19 -0.15 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 1nqx s ILE 78 Cb -0.14 -0.80 0.06 0.00 0.01 0.00 0.00 42.46 41.59 1nqx s ILE 78 CO 0.07 0.31 0.88 -0.83 0.00 0.00 0.00 174.94 175.36 1nqx s GLY 79 N 1.55 -0.23 -0.14 6.18 0.00 -1.11 -1.89 107.32 111.68 1nqx s GLY 79 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.79 1nqx s GLY 79 CO -0.05 0.01 0.03 0.14 0.00 0.00 0.00 173.10 173.23 1nqx s VAL 80 N -3.46 0.41 -0.18 1.40 1.01 -1.26 -1.04 120.40 117.27 1nqx s VAL 80 Ca 0.11 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 1nqx s VAL 80 Cb -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1nqx s VAL 80 CO 0.02 -0.03 0.05 -0.76 0.00 0.00 0.00 175.10 174.38 1nqx s LEU 81 N 1.93 3.70 -0.10 3.92 1.43 0.30 -4.74 118.68 125.13 1nqx s LEU 81 Ca 0.02 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1nqx s LEU 81 Cb -0.15 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1nqx s LEU 81 CO -0.07 0.16 -0.14 -0.63 0.23 0.00 0.00 176.35 175.90 1nqx s ILE 82 N 0.43 1.38 0.26 -0.59 1.01 -1.26 -0.63 121.20 121.80 1nqx s ILE 82 Ca 0.02 -0.58 -0.31 0.00 0.00 0.00 0.00 60.65 59.78 1nqx s ILE 82 Cb -0.13 -1.27 -0.12 0.00 0.01 0.00 0.00 42.46 40.96 1nqx s ILE 82 CO 0.01 0.42 1.64 -0.60 0.00 0.00 0.00 174.94 176.41 1nqx s ARG 83 N 0.93 4.12 0.00 2.79 3.52 -0.35 -4.93 118.95 125.03 1nqx s ARG 83 Ca -0.08 2.59 0.00 0.00 -0.13 0.00 0.00 55.73 58.11 1nqx s ARG 83 Cb -0.15 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1nqx s ARG 83 CO -0.00 -0.68 0.00 0.41 -0.81 0.00 0.00 175.30 174.22 1nqx n GLY 84 N 2.77 1.99 0.12 8.12 0.00 -1.26 -4.82 105.19 112.11 1nqx n GLY 84 Ca 0.11 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.95 0.61 -1.46 4.61 0.00 -2.01 -3.47 119.26 116.60 1nqx h ALA 85 Ca 0.00 -0.59 -0.52 0.00 0.00 0.00 0.00 54.91 53.80 1nqx h ALA 85 Cb 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1nqx h ALA 85 CO 0.00 0.78 -0.40 0.95 0.00 0.00 0.00 179.25 180.58 1nqx s THR 86 N -2.91 2.48 -2.00 0.00 -4.23 -1.26 -5.01 115.64 102.72 1nqx s THR 86 Ca 0.03 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1nqx s THR 86 Cb 0.08 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 71.02 1nqx s THR 86 CO 0.77 0.00 0.75 -0.81 -0.54 0.00 0.00 174.62 174.79 1nqx n PRO 87 N -1.49 0.70 -0.26 3.99 -0.04 -1.26 -4.12 135.00 132.53 1nqx n PRO 87 Ca 0.02 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.54 1nqx n PRO 87 Cb 0.63 -1.02 0.19 0.00 -0.04 0.00 0.00 33.50 33.25 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 0.45 -0.74 0.54 2.76 -1.96 -0.63 115.15 115.57 1nqx h HIS 88 Ca 0.00 0.04 0.16 0.00 -2.20 0.00 0.00 60.37 58.37 1nqx h HIS 88 Cb 0.00 -0.08 -0.11 0.00 1.55 0.00 0.00 27.41 28.76 1nqx h HIS 88 CO 0.00 0.02 0.18 0.35 -1.30 0.00 0.00 177.93 177.17 1nqx h PHE 89 N 0.39 0.28 -0.30 5.26 3.57 -1.92 -1.86 116.94 122.36 1nqx h PHE 89 Ca 0.42 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.98 1nqx h PHE 89 Cb 0.67 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1nqx h PHE 89 CO -0.19 -0.09 0.17 -0.44 -2.23 0.00 0.00 178.31 175.53 1nqx h ASP 90 N 0.27 0.28 -0.46 0.41 3.45 -1.42 0.01 116.42 118.96 1nqx h ASP 90 Ca 0.42 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.76 1nqx h ASP 90 Cb 0.72 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.42 1nqx h ASP 90 CO -0.52 0.20 -0.18 1.88 -1.57 0.00 0.00 179.24 179.06 1nqx h TYR 91 N 0.35 1.06 -0.01 4.55 -1.99 -1.32 -0.70 116.97 118.93 1nqx h TYR 91 Ca 0.12 -0.25 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 1nqx h TYR 91 Cb 0.00 -0.25 -0.00 0.00 2.00 0.00 0.00 36.73 38.48 1nqx h TYR 91 CO -0.08 1.05 0.00 0.82 -0.00 0.00 0.00 178.16 179.95 1nqx h ILE 92 N 0.77 1.20 -0.93 -2.88 1.08 -1.25 -1.79 117.51 113.71 1nqx h ILE 92 Ca 0.11 -0.58 0.03 0.00 -0.39 0.00 0.00 64.86 64.03 1nqx h ILE 92 Cb 0.75 1.58 -0.05 0.00 -3.07 0.00 0.00 36.82 36.02 1nqx h ILE 92 CO 0.06 0.15 0.61 0.00 -0.69 0.00 0.00 178.15 178.28 1nqx h ALA 93 N 0.76 1.40 -0.25 1.87 0.00 -0.98 0.68 119.26 122.74 1nqx h ALA 93 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1nqx h ALA 93 Cb 0.25 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nqx h ALA 93 CO 0.00 0.52 -0.02 0.77 0.00 0.00 0.00 179.25 180.51 1nqx h SER 94 N 1.18 0.44 0.59 0.00 0.02 -1.07 -2.47 113.55 112.24 1nqx h SER 94 Ca 0.36 -0.33 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 1nqx h SER 94 Cb -0.01 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1nqx h SER 94 CO -0.11 0.67 -0.68 -0.33 -1.14 0.00 0.00 176.83 175.24 1nqx h GLU 95 N 0.21 0.08 -0.26 3.45 4.39 -0.80 -1.11 114.58 120.54 1nqx h GLU 95 Ca 0.07 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1nqx h GLU 95 Cb 0.45 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1nqx h GLU 95 CO 0.02 0.73 -0.27 -0.24 -1.16 0.00 0.00 179.01 178.09 1nqx h VAL 96 N 0.06 1.31 -0.29 3.13 3.04 -0.89 -1.01 116.25 121.59 1nqx h VAL 96 Ca -0.01 -1.44 -0.06 0.00 -1.01 0.00 0.00 66.70 64.18 1nqx h VAL 96 Cb 1.21 1.65 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 1nqx h VAL 96 CO 0.10 0.45 -0.05 0.77 -1.01 0.00 0.00 177.57 177.83 1nqx h SER 97 N 0.35 0.54 -0.61 3.17 4.64 -1.44 -2.16 113.55 118.05 1nqx h SER 97 Ca 0.04 -0.35 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1nqx h SER 97 Cb 0.83 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 1nqx h SER 97 CO 0.07 0.76 0.28 0.50 -0.87 0.00 0.00 176.83 177.57 1nqx h LYS 98 N 0.31 0.88 -0.08 4.77 3.64 -1.17 -2.22 116.57 122.70 1nqx h LYS 98 Ca 0.08 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1nqx h LYS 98 Cb 0.51 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1nqx h LYS 98 CO 0.02 0.71 0.04 0.78 -2.27 0.00 0.00 179.45 178.74 1nqx h GLY 99 N 0.83 0.11 1.00 5.01 0.00 -1.10 -0.48 103.07 108.45 1nqx h GLY 99 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1nqx h GLY 99 CO -0.02 0.05 0.38 1.41 0.00 0.00 0.00 176.54 178.36 1nqx h LEU 100 N 0.02 0.68 -0.41 3.11 3.38 -1.36 0.11 115.31 120.84 1nqx h LEU 100 Ca 0.03 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1nqx h LEU 100 Cb 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1nqx h LEU 100 CO -0.00 0.51 0.02 0.00 0.09 0.00 0.00 178.44 179.05 1nqx h ALA 101 N 1.20 0.56 -0.59 1.53 0.00 -1.24 -1.32 119.26 119.40 1nqx h ALA 101 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nqx h ALA 101 Cb -0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1nqx h ALA 101 CO -0.04 0.32 0.38 -0.91 0.00 0.00 0.00 179.25 178.99 1nqx h ASN 102 N 0.56 0.69 -0.77 0.00 -0.26 -0.88 -2.24 115.58 112.68 1nqx h ASN 102 Ca 0.12 -0.04 -0.05 0.00 -0.56 0.00 0.00 56.30 55.77 1nqx h ASN 102 Cb 0.46 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.51 1nqx h ASN 102 CO 0.02 0.52 0.27 -0.07 -1.06 0.00 0.00 177.43 177.11 1nqx h LEU 103 N 0.80 1.09 -0.55 1.61 3.38 -0.75 -0.14 115.31 120.75 1nqx h LEU 103 Ca 0.21 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1nqx h LEU 103 Cb -0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 1nqx h LEU 103 CO -0.04 0.99 0.31 -1.28 0.09 0.00 0.00 178.44 178.50 1nqx h SER 104 N 1.13 0.48 -0.36 -0.43 0.87 -0.90 0.08 113.55 114.42 1nqx h SER 104 Ca 0.25 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.66 1nqx h SER 104 Cb 0.26 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1nqx h SER 104 CO -0.01 0.33 -0.41 -0.07 -0.53 0.00 0.00 176.83 176.13 1nqx h LEU 105 N 0.60 1.00 -0.35 2.23 3.38 -1.09 0.30 115.31 121.39 1nqx h LEU 105 Ca 0.23 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1nqx h LEU 105 Cb 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1nqx h LEU 105 CO -0.13 1.27 0.04 -0.08 0.09 0.00 0.00 178.44 179.63 1nqx h GLU 106 N 0.75 0.59 -0.02 1.13 4.81 -0.69 -3.07 114.58 118.08 1nqx h GLU 106 Ca 0.05 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1nqx h GLU 106 Cb 1.01 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1nqx h GLU 106 CO 0.10 0.68 -0.06 1.28 -0.73 0.00 0.00 179.01 180.28 1nqx n LEU 107 N -4.56 1.58 -3.88 1.64 4.77 -0.01 -4.95 117.00 111.59 1nqx n LEU 107 Ca -0.02 -0.51 -0.27 0.00 -0.03 0.00 0.00 56.01 55.18 1nqx n LEU 107 Cb 0.24 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1nqx n LEU 107 CO 0.39 0.27 -0.19 0.54 -1.33 0.00 0.00 177.39 177.07 1nqx n ARG 108 N 0.14 -2.93 -3.79 3.23 1.74 0.04 -4.98 116.66 110.11 1nqx n ARG 108 Ca 0.17 0.42 -0.13 0.00 -0.77 0.00 0.00 57.85 57.55 1nqx n ARG 108 Cb 0.38 -4.45 -0.12 0.00 -1.02 0.00 0.00 32.46 27.25 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 -6.42 0.22 0.18 5.56 2.20 -0.86 -5.06 119.74 115.58 1nqx s LYS 109 Ca 0.11 0.30 -0.31 0.00 -0.36 0.00 0.00 55.97 55.71 1nqx s LYS 109 Cb -0.04 0.08 -0.10 0.00 -1.51 0.00 0.00 37.83 36.26 1nqx s LYS 109 CO 0.88 -0.05 1.51 -2.14 -0.36 0.00 0.00 175.35 175.19 1nqx s PRO 110 N 0.26 4.24 -0.14 4.03 0.02 -1.26 -4.47 135.00 137.69 1nqx s PRO 110 Ca -0.01 2.31 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 1nqx s PRO 110 Cb -0.03 -3.15 0.04 0.00 0.02 0.00 0.00 34.50 31.38 1nqx s PRO 110 CO -0.01 -0.53 -0.02 0.42 -0.33 0.00 0.00 177.00 176.53 1nqx s ILE 111 N 0.80 0.75 0.29 2.83 1.01 -1.26 -1.61 121.20 124.00 1nqx s ILE 111 Ca 0.66 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.97 1nqx s ILE 111 Cb -0.42 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1nqx s ILE 111 CO 0.35 0.11 0.45 0.42 0.00 0.00 0.00 174.94 176.26 1nqx s THR 112 N 1.79 5.19 -0.55 2.92 -4.23 0.57 -4.93 115.64 116.40 1nqx s THR 112 Ca 0.02 -0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 59.75 1nqx s THR 112 Cb -0.15 -3.85 0.14 0.00 1.34 0.00 0.00 72.50 69.99 1nqx s THR 112 CO -0.07 -0.42 0.41 0.12 -0.54 0.00 0.00 174.62 174.11 1nqx s PHE 113 N -2.12 3.49 -0.45 3.99 5.36 -1.26 -1.73 117.98 125.25 1nqx s PHE 113 Ca 0.37 -2.21 0.04 0.00 -0.96 0.00 0.00 56.93 54.17 1nqx s PHE 113 Cb -0.09 -3.42 0.51 0.00 -0.34 0.00 0.00 43.02 39.68 1nqx s PHE 113 CO 0.32 -0.95 1.69 0.41 -1.46 0.00 0.00 175.22 175.24 1nqx n GLY 114 N 4.33 5.44 3.48 13.12 0.00 0.17 -4.70 105.19 127.03 1nqx n GLY 114 Ca 0.00 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 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 -4.04 4.93 0.26 1.61 1.01 -1.22 -2.74 120.40 120.22 1nqx s VAL 115 Ca 0.55 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1nqx s VAL 115 Cb 0.46 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 1nqx s VAL 115 CO 0.03 0.02 1.14 -0.63 0.00 0.00 0.00 175.10 175.66 1nqx s ILE 116 N 1.67 3.46 -0.50 2.22 1.01 -0.21 -4.92 121.20 123.92 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 0.15 0.00 0.01 0.00 0.00 42.46 38.56 1nqx s ILE 116 CO 0.08 0.30 0.33 0.42 0.00 0.00 0.00 174.94 176.07 1nqx s THR 117 N -0.84 1.58 -0.01 2.92 -4.23 -1.26 -0.54 115.64 113.27 1nqx s THR 117 Ca 0.47 -3.04 -0.01 0.00 -1.18 0.00 0.00 61.69 57.93 1nqx s THR 117 Cb -0.33 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1nqx s THR 117 CO 0.41 -1.00 0.08 0.00 -0.54 0.00 0.00 174.62 173.58 1nqx s ALA 118 N -0.19 3.60 0.20 3.99 0.00 0.20 -5.01 121.76 124.55 1nqx s ALA 118 Ca 0.23 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.41 1nqx s ALA 118 Cb -0.13 -1.61 0.08 0.00 0.00 0.00 0.00 23.12 21.47 1nqx s ALA 118 CO -0.08 0.68 1.45 -0.44 0.00 0.00 0.00 175.76 177.37 1nqx h ASP 119 N 4.18 0.07 -4.01 0.00 3.32 -1.93 -0.92 116.42 117.12 1nqx h ASP 119 Ca -0.49 -0.05 -0.33 0.00 0.02 0.00 0.00 57.03 56.18 1nqx h ASP 119 Cb 1.19 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1nqx h ASP 119 CO 0.62 0.84 -0.70 0.42 -1.72 0.00 0.00 179.24 178.70 1nqx s THR 120 N -3.23 1.10 0.19 0.35 -4.23 -1.26 -3.92 115.64 104.64 1nqx s THR 120 Ca -0.01 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.34 1nqx s THR 120 Cb 0.11 -1.93 0.11 0.00 1.34 0.00 0.00 72.50 72.14 1nqx s THR 120 CO 0.80 -0.68 1.80 0.25 -0.54 0.00 0.00 174.62 176.25 1nqx h LEU 121 N 2.74 0.84 -0.64 4.79 5.85 -1.92 -2.45 115.31 124.53 1nqx h LEU 121 Ca -0.37 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.35 1nqx h LEU 121 Cb 1.19 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 1nqx h LEU 121 CO 0.64 0.70 0.23 -0.08 -0.34 0.00 0.00 178.44 179.59 1nqx h GLU 122 N 0.91 0.39 -0.51 1.25 4.81 -1.99 -0.28 114.58 119.16 1nqx h GLU 122 Ca 0.23 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1nqx h GLU 122 Cb 0.06 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1nqx h GLU 122 CO -0.04 0.26 0.14 1.96 -0.73 0.00 0.00 179.01 180.61 1nqx h GLN 123 N 0.41 0.76 -0.32 1.92 4.20 -1.87 -1.13 115.11 119.08 1nqx h GLN 123 Ca 0.33 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 1nqx h GLN 123 Cb 0.43 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1nqx h GLN 123 CO -0.33 0.68 -0.07 0.00 -0.67 0.00 0.00 178.83 178.43 1nqx h ALA 124 N 1.42 0.44 -0.77 3.87 0.00 -0.94 -2.68 119.26 120.59 1nqx h ALA 124 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1nqx h ALA 124 Cb 0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1nqx h ALA 124 CO -0.01 0.27 0.49 0.82 0.00 0.00 0.00 179.25 180.82 1nqx h ILE 125 N 0.39 1.21 -0.54 0.00 2.04 -0.70 -1.93 117.51 117.97 1nqx h ILE 125 Ca 0.08 -0.42 0.10 0.00 1.00 0.00 0.00 64.86 65.63 1nqx h ILE 125 Cb 0.56 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1nqx h ILE 125 CO 0.03 0.21 0.37 -0.33 0.00 0.00 0.00 178.15 178.43 1nqx h GLU 126 N 1.05 0.30 -0.29 2.37 5.08 -1.05 -2.52 114.58 119.52 1nqx h GLU 126 Ca 0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1nqx h GLU 126 Cb -0.08 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1nqx h GLU 126 CO -0.06 0.20 0.00 0.54 -1.00 0.00 0.00 179.01 178.69 1nqx n ARG 127 N -4.46 2.30 -2.37 2.33 1.74 -0.79 -0.40 116.66 115.01 1nqx n ARG 127 Ca 0.09 -2.10 -0.30 0.00 -0.77 0.00 0.00 57.85 54.77 1nqx n ARG 127 Cb 0.39 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.38 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 1.32 5.35 -0.07 7.54 0.00 -0.81 -1.70 120.51 132.13 1nqx n ALA 128 Ca 0.17 -4.29 0.00 0.00 0.00 0.00 0.00 53.44 49.32 1nqx n ALA 128 Cb 0.56 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 0.96 0.00 0.00 0.00 0.78 -4.73 105.19 101.72 1nqx n GLY 129 Ca 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.07 0.00 0.24 2.61 -2.24 -1.15 -4.93 114.28 106.74 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 0.00 0.00 0.76 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.63 -0.78 2.10 -1.83 -1.13 116.57 114.30 1nqx h LYS 131 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.34 1nqx h LYS 131 Cb 0.00 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.15 1nqx h LYS 131 CO 0.00 0.00 0.24 0.72 -2.00 0.00 0.00 179.45 178.41 1nqx n HIS 132 N -4.21 1.96 -3.85 0.07 8.25 0.47 -5.05 115.22 112.85 1nqx n HIS 132 Ca -0.01 -1.64 0.00 0.00 -0.26 0.00 0.00 57.72 55.80 1nqx n HIS 132 Cb 0.16 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.59 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 -1.04 -0.75 2.65 -1.41 0.00 -0.43 -4.66 105.19 99.55 1nqx n GLY 133 Ca 0.44 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 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 2.75 0.50 1.61 3.84 -1.25 -0.15 114.94 118.24 1nqx s ASN 134 Ca 0.00 -0.81 0.21 0.00 0.21 0.00 0.00 52.86 52.47 1nqx s ASN 134 Cb 0.00 -0.39 1.30 0.00 -0.55 0.00 0.00 41.25 41.61 1nqx s ASN 134 CO 0.00 -0.35 2.07 0.50 -2.79 0.00 0.00 177.10 176.53 1nqx h LYS 135 N 8.35 0.00 -0.21 0.43 1.63 -1.65 -1.84 116.57 123.27 1nqx h LYS 135 Ca -0.16 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.60 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 0.12 -0.01 0.78 -3.45 0.00 0.00 179.45 177.23 1nqx h GLY 136 N 0.54 0.41 0.92 5.01 0.00 -1.82 -0.74 103.07 107.39 1nqx h GLY 136 Ca -0.00 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.04 1nqx h GLY 136 CO 0.02 0.28 0.28 -0.25 0.00 0.00 0.00 176.54 176.87 1nqx h TRP 137 N 0.14 0.53 -0.31 5.60 7.01 -1.54 -0.72 115.95 126.65 1nqx h TRP 137 Ca 0.06 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 1nqx h TRP 137 Cb 0.41 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 1nqx h TRP 137 CO 0.04 0.31 0.19 1.49 -2.79 0.00 0.00 178.44 177.68 1nqx h GLU 138 N 0.57 0.42 -0.29 2.65 4.81 -1.27 -0.46 114.58 121.00 1nqx h GLU 138 Ca 0.18 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1nqx h GLU 138 Cb -0.01 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1nqx h GLU 138 CO -0.07 0.31 -0.16 0.00 -0.73 0.00 0.00 179.01 178.35 1nqx h ALA 139 N 1.09 1.18 -0.36 2.92 0.00 -0.97 -1.32 119.26 121.80 1nqx h ALA 139 Ca 0.11 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1nqx h ALA 139 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1nqx h ALA 139 CO -0.02 0.52 -0.05 0.00 0.00 0.00 0.00 179.25 179.70 1nqx h ALA 140 N 1.36 0.49 -0.67 0.00 0.00 -0.87 -1.19 119.26 118.37 1nqx h ALA 140 Ca 0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nqx h ALA 140 Cb 0.56 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1nqx h ALA 140 CO 0.04 0.30 0.40 1.25 0.00 0.00 0.00 179.25 181.24 1nqx h LEU 141 N 0.46 0.81 -0.87 0.00 5.85 -0.86 -0.96 115.31 119.74 1nqx h LEU 141 Ca 0.09 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1nqx h LEU 141 Cb 0.54 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1nqx h LEU 141 CO 0.03 0.63 0.54 -1.28 -0.34 0.00 0.00 178.44 178.02 1nqx h SER 142 N 0.91 0.86 -0.54 1.25 0.87 -1.11 -1.69 113.55 114.11 1nqx h SER 142 Ca 0.24 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.72 1nqx h SER 142 Cb -0.03 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1nqx h SER 142 CO -0.05 0.56 -0.01 0.00 -0.53 0.00 0.00 176.83 176.81 1nqx h ALA 143 N 1.40 0.91 -0.01 6.23 0.00 -0.49 -0.03 119.26 127.27 1nqx h ALA 143 Ca 0.37 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nqx h ALA 143 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1nqx h ALA 143 CO -0.16 0.65 -0.07 0.82 0.00 0.00 0.00 179.25 180.49 1nqx h ILE 144 N 0.91 0.83 -0.40 0.00 2.04 -0.79 0.66 117.51 120.75 1nqx h ILE 144 Ca 0.16 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1nqx h ILE 144 Cb 0.54 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1nqx h ILE 144 CO 0.03 0.00 0.23 -0.08 0.00 0.00 0.00 178.15 178.33 1nqx h GLU 145 N -0.11 0.55 -0.41 2.37 4.81 -1.04 -1.46 114.58 119.29 1nqx h GLU 145 Ca 0.03 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1nqx h GLU 145 Cb 0.15 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1nqx h GLU 145 CO -0.07 0.42 -0.21 0.52 -0.73 0.00 0.00 179.01 178.94 1nqx h MET 146 N 0.52 0.81 -0.42 1.92 2.86 -0.85 0.66 114.93 120.43 1nqx h MET 146 Ca 0.14 -0.32 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1nqx h MET 146 Cb 0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1nqx h MET 146 CO -0.03 0.95 0.16 0.00 1.06 0.00 0.00 176.91 179.05 1nqx h ALA 147 N 1.05 0.55 -0.49 6.32 0.00 -0.61 0.31 119.26 126.40 1nqx h ALA 147 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1nqx h ALA 147 Cb 0.73 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1nqx h ALA 147 CO 0.06 0.16 0.21 -0.91 0.00 0.00 0.00 179.25 178.78 1nqx h ASN 148 N 0.54 0.65 -0.61 0.00 2.35 -1.04 -2.43 115.58 115.05 1nqx h ASN 148 Ca 0.14 -0.15 0.07 0.00 -0.55 0.00 0.00 56.30 55.81 1nqx h ASN 148 Cb 0.20 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 1nqx h ASN 148 CO -0.01 0.62 0.29 0.25 -1.65 0.00 0.00 177.43 176.93 1nqx h LEU 149 N 0.64 0.39 -1.50 1.61 5.85 -0.62 -2.51 115.31 119.17 1nqx h LEU 149 Ca 0.16 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1nqx h LEU 149 Cb 0.16 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1nqx h LEU 149 CO -0.02 0.25 -0.21 -0.26 -0.34 0.00 0.00 178.44 177.87 1nqx h PHE 150 N 0.54 0.00 -0.32 1.25 -1.00 -0.68 -0.51 116.94 116.21 1nqx h PHE 150 Ca 0.29 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.16 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 -0.11 0.21 0.25 0.87 -1.61 0.00 0.00 178.31 177.91 1nqx h LYS 151 N 0.00 0.00 0.00 1.51 1.57 -0.97 -0.08 116.57 118.60 1nqx h LYS 151 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 1nqx h LYS 151 Cb 0.55 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 1nqx h LYS 151 CO 0.03 0.00 -1.92 -1.13 -0.57 0.00 0.00 179.45 175.86 1nqx n SER 152 N -4.32 1.89 0.12 0.86 3.41 -0.74 -4.72 113.62 110.12 1nqx n SER 152 Ca 0.05 -0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.44 1nqx n SER 152 Cb 0.42 0.65 -0.14 0.00 -0.26 0.00 0.00 64.21 64.88 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 0.65 0.00 1.04 5.85 -0.90 -3.53 115.31 118.43 1nqx h LEU 153 Ca -0.36 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 57.69 1nqx h LEU 153 Cb 1.78 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1nqx h LEU 153 CO 0.01 1.51 0.00 -1.14 -0.34 0.00 0.00 178.44 178.48