#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqo s VAL 1 N 0.00 3.05 -0.07 0.00 0.11 -0.59 -4.74 120.40 118.16 1nqo s VAL 1 Ca 0.00 0.76 -0.27 0.00 -2.93 0.00 0.00 61.98 59.54 1nqo s VAL 1 Cb 0.00 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 1nqo s VAL 1 CO 0.00 0.06 0.86 -0.54 -3.33 0.00 0.00 175.10 172.15 1nqo s LYS 2 N 1.01 4.45 0.07 1.54 1.02 -1.26 -0.55 119.74 126.01 1nqo s LYS 2 Ca 0.66 1.15 0.09 0.00 0.02 0.00 0.00 55.97 57.89 1nqo s LYS 2 Cb -0.39 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 1nqo s LYS 2 CO 0.31 -0.10 -0.25 0.08 -0.92 0.00 0.00 175.35 174.48 1nqo s VAL 3 N 1.28 2.00 -0.02 3.17 1.01 0.82 -2.30 120.40 126.36 1nqo s VAL 3 Ca 0.44 -1.42 0.07 0.00 0.00 0.00 0.00 61.98 61.07 1nqo s VAL 3 Cb -0.19 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1nqo s VAL 3 CO 0.20 0.24 -0.24 -0.83 0.00 0.00 0.00 175.10 174.47 1nqo s GLY 4 N -1.44 1.16 -0.21 4.51 0.00 -0.26 -1.40 107.32 109.69 1nqo s GLY 4 Ca 0.11 -1.02 -0.04 0.00 0.00 0.00 0.00 44.72 43.76 1nqo s GLY 4 CO 0.03 -0.84 -0.03 -0.42 0.00 0.00 0.00 173.10 171.84 1nqo s ILE 5 N -0.54 3.58 -0.43 0.90 1.01 -0.52 -0.81 121.20 124.38 1nqo s ILE 5 Ca 0.09 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 1nqo s ILE 5 Cb -0.09 -2.62 0.09 0.00 0.01 0.00 0.00 42.46 39.85 1nqo s ILE 5 CO -0.01 0.42 0.28 0.21 0.00 0.00 0.00 174.94 175.85 1nqo s ASN 6 N 1.28 5.63 0.00 3.58 2.47 -0.19 -0.45 114.94 127.27 1nqo s ASN 6 Ca 0.04 -1.64 0.00 0.00 0.42 0.00 0.00 52.86 51.67 1nqo s ASN 6 Cb -0.14 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 1nqo s ASN 6 CO -0.01 -0.58 0.00 0.61 -3.72 0.00 0.00 177.10 173.40 1nqo n GLY 7 N 4.90 0.62 2.40 1.21 0.00 0.06 -0.32 105.19 114.06 1nqo n GLY 7 Ca -0.09 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 1nqo n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nqo n PHE 8 N 0.00 2.02 -0.74 1.61 7.35 -1.20 -3.74 117.46 122.75 1nqo n PHE 8 Ca 0.00 -2.49 0.00 0.00 -0.76 0.00 0.00 57.45 54.20 1nqo n PHE 8 Cb 0.00 -1.80 0.00 0.00 0.35 0.00 0.00 39.48 38.03 1nqo n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nqo n GLY 9 N 1.90 2.45 0.20 7.13 0.00 -1.26 -4.47 105.19 111.13 1nqo n GLY 9 Ca 0.60 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 1nqo n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nqo h ARG 10 N 0.00 0.16 0.24 1.61 2.47 -1.93 0.13 114.38 117.06 1nqo h ARG 10 Ca 0.00 -0.01 -0.31 0.00 -1.26 0.00 0.00 59.98 58.40 1nqo h ARG 10 Cb 0.00 -0.04 0.04 0.00 -1.65 0.00 0.00 29.97 28.32 1nqo h ARG 10 CO 0.00 0.11 -1.37 0.82 0.56 0.00 0.00 179.97 180.08 1nqo h ILE 11 N 0.17 1.32 -0.04 2.04 1.08 -1.90 -3.00 117.51 117.17 1nqo h ILE 11 Ca 0.26 -2.67 0.03 0.00 -0.39 0.00 0.00 64.86 62.09 1nqo h ILE 11 Cb 0.38 3.07 -0.04 0.00 -3.07 0.00 0.00 36.82 37.16 1nqo h ILE 11 CO -0.39 0.79 -0.18 1.23 -0.69 0.00 0.00 178.15 178.91 1nqo h GLY 12 N 0.07 -0.21 1.22 5.37 0.00 -1.56 0.20 103.07 108.14 1nqo h GLY 12 Ca -0.24 0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1nqo h GLY 12 CO 0.26 -0.17 0.04 3.21 0.00 0.00 0.00 176.54 179.87 1nqo h ARG 13 N -0.27 0.95 -0.71 4.80 3.08 -0.88 -0.94 114.38 120.40 1nqo h ARG 13 Ca 0.07 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 1nqo h ARG 13 Cb 0.37 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1nqo h ARG 13 CO -0.20 0.92 0.17 -0.97 -1.07 0.00 0.00 179.97 178.82 1nqo h ASN 14 N 0.88 1.08 -0.51 7.04 -0.73 -1.32 -1.03 115.58 120.99 1nqo h ASN 14 Ca 0.17 -0.23 -0.00 0.00 1.87 0.00 0.00 56.30 58.11 1nqo h ASN 14 Cb 0.47 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 1nqo h ASN 14 CO 0.02 1.03 0.30 0.58 -0.37 0.00 0.00 177.43 178.99 1nqo h VAL 15 N 1.08 1.16 -0.45 2.57 2.07 -0.20 -0.75 116.25 121.73 1nqo h VAL 15 Ca 0.22 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1nqo h VAL 15 Cb 0.37 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1nqo h VAL 15 CO 0.00 0.17 0.16 0.15 0.02 0.00 0.00 177.57 178.07 1nqo h PHE 16 N 0.68 0.28 -0.68 1.57 3.04 -0.58 0.20 116.94 121.45 1nqo h PHE 16 Ca 0.18 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.09 1nqo h PHE 16 Cb 0.01 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.43 1nqo h PHE 16 CO -0.02 0.10 0.17 0.00 -2.02 0.00 0.00 178.31 176.53 1nqo h ARG 17 N 0.33 1.08 -0.53 1.11 3.08 -0.82 -2.56 114.38 116.05 1nqo h ARG 17 Ca 0.21 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1nqo h ARG 17 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1nqo h ARG 17 CO -0.22 0.95 -0.02 0.00 -1.07 0.00 0.00 179.97 179.61 1nqo h ALA 18 N 1.15 0.95 -0.21 0.04 0.00 -0.45 -2.64 119.26 118.11 1nqo h ALA 18 Ca 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1nqo h ALA 18 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1nqo h ALA 18 CO 0.00 0.63 0.08 0.00 0.00 0.00 0.00 179.25 179.96 1nqo h ALA 19 N 1.12 1.75 -0.12 0.00 0.00 -0.25 -1.78 119.26 119.97 1nqo h ALA 19 Ca 0.15 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nqo h ALA 19 Cb 0.54 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nqo h ALA 19 CO 0.03 0.21 0.13 -0.07 0.00 0.00 0.00 179.25 179.54 1nqo h LEU 20 N 0.29 0.00 0.00 0.00 3.38 -1.10 -1.54 115.31 116.33 1nqo h LEU 20 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1nqo h LEU 20 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1nqo h LEU 20 CO -0.01 0.00 -0.55 0.11 0.09 0.00 0.00 178.44 178.09 1nqo h LYS 21 N 0.00 0.00 -4.48 1.13 1.57 -1.43 -3.43 116.57 109.92 1nqo h LYS 21 Ca 0.06 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.12 1nqo h LYS 21 Cb 0.31 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.40 1nqo h LYS 21 CO -0.00 0.24 -0.44 1.21 -0.57 0.00 0.00 179.45 179.89 1nqo s ASN 22 N -6.12 5.99 0.09 0.86 3.84 -0.58 -4.94 114.94 114.08 1nqo s ASN 22 Ca 0.03 -1.05 0.15 0.00 0.21 0.00 0.00 52.86 52.21 1nqo s ASN 22 Cb 0.07 -2.12 0.65 0.00 -0.55 0.00 0.00 41.25 39.31 1nqo s ASN 22 CO 0.74 -0.48 1.47 -0.81 -2.79 0.00 0.00 177.10 175.23 1nqo n PRO 23 N 5.11 0.06 0.18 0.43 -0.04 -1.26 -2.64 135.00 136.84 1nqo n PRO 23 Ca -0.11 0.36 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1nqo n PRO 23 Cb 0.46 -1.63 0.15 0.00 -0.04 0.00 0.00 33.50 32.44 1nqo n PRO 23 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1nqo h ASP 24 N 0.00 0.00 -4.58 3.54 3.32 -1.92 -2.76 116.42 114.02 1nqo h ASP 24 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 1nqo h ASP 24 Cb 0.22 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.47 1nqo h ASP 24 CO 0.00 0.32 -0.89 0.27 -1.72 0.00 0.00 179.24 177.23 1nqo s ILE 25 N -3.15 2.07 -0.17 0.35 -4.36 -1.08 -0.54 121.20 114.32 1nqo s ILE 25 Ca 0.04 -1.13 -0.00 0.00 -0.26 0.00 0.00 60.65 59.30 1nqo s ILE 25 Cb 0.07 -1.71 0.04 0.00 1.25 0.00 0.00 42.46 42.11 1nqo s ILE 25 CO 0.70 0.57 -0.07 -0.70 0.24 0.00 0.00 174.94 175.68 1nqo s GLU 26 N -0.65 1.62 -0.43 0.37 2.56 0.29 -4.66 118.70 117.80 1nqo s GLU 26 Ca 0.10 -0.57 -0.28 0.00 0.00 0.00 0.00 54.97 54.22 1nqo s GLU 26 Cb -0.10 -2.07 0.03 0.00 2.00 0.00 0.00 34.13 33.98 1nqo s GLU 26 CO -0.01 -0.41 1.09 0.08 -0.56 0.00 0.00 175.26 175.45 1nqo s VAL 27 N 1.58 4.33 -0.60 3.70 1.01 -1.26 -0.13 120.40 129.04 1nqo s VAL 27 Ca 0.01 1.31 0.19 0.00 0.00 0.00 0.00 61.98 63.49 1nqo s VAL 27 Cb -0.15 -4.52 -0.23 0.00 0.00 0.00 0.00 36.38 31.47 1nqo s VAL 27 CO -0.08 -0.83 0.67 1.33 0.00 0.00 0.00 175.10 176.19 1nqo n VAL 28 N 6.50 0.00 -3.54 2.92 0.24 -0.49 -4.91 118.33 119.05 1nqo n VAL 28 Ca 0.11 -0.19 -0.17 0.00 -2.04 0.00 0.00 64.34 62.06 1nqo n VAL 28 Cb 0.48 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.49 1nqo n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nqo s ALA 29 N -2.94 -1.61 0.04 2.33 0.00 -1.24 -1.71 121.76 116.64 1nqo s ALA 29 Ca 0.02 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1nqo s ALA 29 Cb 0.13 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1nqo s ALA 29 CO 0.77 -0.41 -0.06 0.14 0.00 0.00 0.00 175.76 176.20 1nqo s VAL 30 N -1.59 0.43 0.01 0.00 -7.23 -0.15 -1.44 120.40 110.45 1nqo s VAL 30 Ca -0.09 -1.19 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 1nqo s VAL 30 Cb -0.01 -0.71 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 1nqo s VAL 30 CO 0.06 -0.51 -0.13 0.21 -0.31 0.00 0.00 175.10 174.42 1nqo s ASN 31 N -1.81 1.48 0.00 4.85 2.47 0.40 -0.45 114.94 121.88 1nqo s ASN 31 Ca -0.08 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 52.87 1nqo s ASN 31 Cb -0.07 -0.12 0.00 0.00 -1.45 0.00 0.00 41.25 39.61 1nqo s ASN 31 CO -0.01 0.08 0.00 -0.67 -3.72 0.00 0.00 177.10 172.78 1nqo n ASP 32 N 2.33 0.00 -1.67 -4.21 2.03 -0.73 -0.76 116.55 113.54 1nqo n ASP 32 Ca -0.16 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.05 1nqo n ASP 32 Cb 0.55 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 41.03 1nqo n ASP 32 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nqo n LEU 33 N 0.00 3.57 0.00 -2.67 4.77 -1.26 -3.55 117.00 117.85 1nqo n LEU 33 Ca 0.00 -4.08 0.00 0.00 -0.03 0.00 0.00 56.01 51.90 1nqo n LEU 33 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1nqo n LEU 33 CO 0.00 1.65 0.00 1.07 -1.33 0.00 0.00 177.39 178.78 1nqo n THR 34 N -0.73 0.00 -3.45 -5.08 5.66 -1.26 -5.11 114.28 104.31 1nqo n THR 34 Ca 0.29 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 61.10 1nqo n THR 34 Cb 0.88 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.66 1nqo n THR 34 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1nqo s ASP 36 N -0.16 5.97 0.30 1.09 1.47 -1.26 -4.73 116.67 119.36 1nqo s ASP 36 Ca 0.00 -0.16 -0.00 0.00 1.18 0.00 0.00 52.55 53.57 1nqo s ASP 36 Cb 0.00 -1.26 0.51 0.00 -0.34 0.00 0.00 42.92 41.83 1nqo s ASP 36 CO 0.00 -0.44 1.93 0.00 0.68 0.00 0.00 175.17 177.35 1nqo h ALA 37 N 0.87 1.49 -0.50 2.11 0.00 -1.94 -1.77 119.26 119.52 1nqo h ALA 37 Ca -0.46 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.49 1nqo h ALA 37 Cb 1.26 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1nqo h ALA 37 CO 0.53 0.41 0.15 -0.97 0.00 0.00 0.00 179.25 179.37 1nqo h ASN 38 N 1.05 0.11 -0.31 0.00 -0.00 -1.94 0.17 115.58 114.65 1nqo h ASN 38 Ca 0.36 0.07 -0.06 0.00 -0.00 0.00 0.00 56.30 56.67 1nqo h ASN 38 Cb 0.09 0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.47 1nqo h ASN 38 CO -0.12 0.09 -0.04 0.74 -0.00 0.00 0.00 177.43 178.11 1nqo h THR 39 N 0.31 1.27 -0.43 -3.57 2.02 -1.79 -2.10 112.91 108.61 1nqo h THR 39 Ca 0.24 -1.04 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 1nqo h THR 39 Cb 0.29 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1nqo h THR 39 CO -0.27 0.33 -0.05 -0.07 0.37 0.00 0.00 175.52 175.83 1nqo h LEU 40 N 0.36 0.69 -0.63 2.58 3.38 -0.94 -1.65 115.31 119.11 1nqo h LEU 40 Ca 0.08 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1nqo h LEU 40 Cb 0.50 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1nqo h LEU 40 CO 0.02 0.79 -0.12 0.00 0.09 0.00 0.00 178.44 179.22 1nqo h ALA 41 N 1.28 0.83 -0.54 1.53 0.00 -0.60 -0.88 119.26 120.88 1nqo h ALA 41 Ca 0.13 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1nqo h ALA 41 Cb 0.48 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1nqo h ALA 41 CO 0.02 0.65 -0.05 1.25 0.00 0.00 0.00 179.25 181.13 1nqo h HIS 42 N 0.84 1.08 -0.55 0.00 -0.00 -1.13 -1.11 115.15 114.28 1nqo h HIS 42 Ca 0.13 -0.21 -0.11 0.00 -0.00 0.00 0.00 60.37 60.19 1nqo h HIS 42 Cb 0.67 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 1nqo h HIS 42 CO 0.04 1.00 -0.07 -0.07 -0.00 0.00 0.00 177.93 178.83 1nqo h LEU 43 N 0.85 1.01 -1.05 0.26 3.38 -1.14 -2.34 115.31 116.29 1nqo h LEU 43 Ca 0.15 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1nqo h LEU 43 Cb 0.60 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1nqo h LEU 43 CO 0.04 1.11 -0.33 0.25 0.09 0.00 0.00 178.44 179.59 1nqo h LEU 44 N 0.89 0.26 -0.01 1.67 5.85 -0.98 -3.22 115.31 119.77 1nqo h LEU 44 Ca 0.15 -0.09 -0.25 0.00 0.84 0.00 0.00 57.88 58.52 1nqo h LEU 44 Cb 0.63 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 41.61 1nqo h LEU 44 CO 0.04 0.59 -0.98 0.50 -0.34 0.00 0.00 178.44 178.25 1nqo h LYS 45 N 0.23 0.68 -4.94 1.25 3.64 -1.02 -3.39 116.57 113.01 1nqo h LYS 45 Ca 0.03 -0.72 -0.67 0.00 -1.27 0.00 0.00 60.65 58.02 1nqo h LYS 45 Cb 0.70 0.20 -0.36 0.00 -0.41 0.00 0.00 32.23 32.36 1nqo h LYS 45 CO 0.05 1.30 -0.83 0.71 -2.27 0.00 0.00 179.45 178.42 1nqo s TYR 46 N -3.33 3.01 -0.15 1.91 2.02 -0.90 -1.09 117.35 118.82 1nqo s TYR 46 Ca -0.10 -1.99 -0.00 0.00 -0.37 0.00 0.00 57.07 54.60 1nqo s TYR 46 Cb 0.07 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1nqo s TYR 46 CO 0.91 -0.84 -0.13 0.34 -1.57 0.00 0.00 175.55 174.26 1nqo s ASP 47 N 1.20 3.87 0.54 2.29 2.15 -0.78 -4.66 116.67 121.28 1nqo s ASP 47 Ca -0.02 -0.41 0.28 0.00 0.43 0.00 0.00 52.55 52.83 1nqo s ASP 47 Cb -0.17 -1.60 1.53 0.00 -0.30 0.00 0.00 42.92 42.38 1nqo s ASP 47 CO -0.09 0.10 2.11 0.28 -0.17 0.00 0.00 175.17 177.41 1nqo h SER 48 N 7.19 0.00 0.00 -0.34 0.02 -1.93 -1.06 113.55 117.43 1nqo h SER 48 Ca -0.31 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.19 1nqo h SER 48 Cb 1.19 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 1nqo h SER 48 CO 0.57 0.09 -2.54 0.52 -1.14 0.00 0.00 176.83 174.34 1nqo n VAL 49 N -3.68 1.52 0.23 2.27 0.31 -1.26 -4.69 118.33 113.04 1nqo n VAL 49 Ca -0.02 -0.44 0.12 0.00 -0.01 0.00 0.00 64.34 63.99 1nqo n VAL 49 Cb 0.20 -1.76 0.22 0.00 -0.91 0.00 0.00 33.84 31.60 1nqo n VAL 49 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1nqo n HIS 50 N -3.98 0.53 -3.57 3.52 8.25 -1.24 -5.02 115.22 113.71 1nqo n HIS 50 Ca -0.53 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 56.66 1nqo n HIS 50 Cb 0.92 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.03 1nqo n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqo n GLY 51 N 1.48 -1.96 3.73 -1.41 0.00 -0.40 -4.87 105.19 101.76 1nqo n GLY 51 Ca 0.19 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1nqo n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nqo s ARG 52 N 0.00 4.63 0.20 1.61 0.52 -1.26 -1.86 118.95 122.78 1nqo s ARG 52 Ca 0.00 1.59 -0.31 0.00 -0.52 0.00 0.00 55.73 56.49 1nqo s ARG 52 Cb 0.00 -3.33 -0.10 0.00 0.52 0.00 0.00 34.95 32.03 1nqo s ARG 52 CO 0.00 0.12 1.58 -1.17 0.02 0.00 0.00 175.30 175.85 1nqo s LEU 53 N -0.08 4.37 -1.32 2.53 2.96 -0.25 -4.89 118.68 121.99 1nqo s LEU 53 Ca 0.49 2.70 -0.10 0.00 -0.22 0.00 0.00 54.13 56.99 1nqo s LEU 53 Cb -0.26 -3.60 0.14 0.00 0.50 0.00 0.00 46.19 42.96 1nqo s LEU 53 CO 0.32 -0.84 1.99 -0.67 -1.32 0.00 0.00 176.35 175.83 1nqo n ASP 54 N 3.56 5.01 -3.56 3.68 2.03 -1.26 -4.84 116.55 121.16 1nqo n ASP 54 Ca 0.13 -3.05 -0.07 0.00 0.52 0.00 0.00 54.79 52.31 1nqo n ASP 54 Cb 0.38 -1.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.24 1nqo n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nqo s ALA 55 N 0.91 -1.96 0.12 -1.67 0.00 -1.26 -5.10 121.76 112.80 1nqo s ALA 55 Ca 0.42 1.41 -0.30 0.00 0.00 0.00 0.00 51.96 53.49 1nqo s ALA 55 Cb 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 1nqo s ALA 55 CO -0.02 -0.54 1.16 -1.21 0.00 0.00 0.00 175.76 175.15 1nqo s GLU 56 N -2.29 4.50 -0.05 0.00 0.41 -1.26 -4.86 118.70 115.15 1nqo s GLU 56 Ca 0.05 1.76 0.01 0.00 -0.41 0.00 0.00 54.97 56.39 1nqo s GLU 56 Cb -0.01 -3.30 0.02 0.00 -1.78 0.00 0.00 34.13 29.06 1nqo s GLU 56 CO -0.05 -0.11 -0.07 0.08 -0.49 0.00 0.00 175.26 174.63 1nqo s VAL 57 N 0.39 0.72 0.29 2.63 1.01 -1.26 -0.53 120.40 123.65 1nqo s VAL 57 Ca 0.54 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 1nqo s VAL 57 Cb -0.30 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 1nqo s VAL 57 CO 0.33 0.27 0.44 -0.94 0.00 0.00 0.00 175.10 175.19 1nqo s SER 58 N 0.92 0.39 -0.19 3.32 1.04 -0.65 -5.00 113.70 113.53 1nqo s SER 58 Ca -0.11 -1.24 0.01 0.00 0.48 0.00 0.00 55.95 55.09 1nqo s SER 58 Cb -0.15 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.60 1nqo s SER 58 CO 0.01 -1.19 -0.18 -0.69 0.98 0.00 0.00 173.24 172.17 1nqo s VAL 59 N -3.56 2.18 -0.37 5.02 1.01 -1.26 -1.10 120.40 122.31 1nqo s VAL 59 Ca 0.28 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 1nqo s VAL 59 Cb 0.00 -1.94 0.06 0.00 0.00 0.00 0.00 36.38 34.51 1nqo s VAL 59 CO 0.14 0.50 0.16 0.21 0.00 0.00 0.00 175.10 176.12 1nqo s ASN 60 N 1.30 5.39 1.37 3.32 2.47 -0.47 -4.93 114.94 123.39 1nqo s ASN 60 Ca 0.04 -1.40 0.00 0.00 0.42 0.00 0.00 52.86 51.93 1nqo s ASN 60 Cb -0.13 -1.89 0.00 0.00 -1.45 0.00 0.00 41.25 37.77 1nqo s ASN 60 CO -0.12 -0.42 0.00 0.61 -3.72 0.00 0.00 177.10 173.45 1nqo n GLY 61 N 4.81 1.47 0.74 1.21 0.00 -1.26 -1.77 105.19 110.38 1nqo n GLY 61 Ca -0.10 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1nqo n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nqo n ASN 62 N 10.58 1.49 -4.45 1.61 5.03 -1.26 -5.02 115.26 123.24 1nqo n ASN 62 Ca 0.00 -3.12 -0.22 0.00 0.87 0.00 0.00 54.58 52.11 1nqo n ASN 62 Cb 0.00 -0.43 -0.11 0.00 -1.02 0.00 0.00 39.78 38.23 1nqo n ASN 62 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1nqo s ASN 63 N -2.67 2.70 0.27 6.41 0.02 -0.73 -4.29 114.94 116.65 1nqo s ASN 63 Ca 0.33 -1.29 -0.00 0.00 -1.02 0.00 0.00 52.86 50.88 1nqo s ASN 63 Cb 0.33 -0.15 -0.04 0.00 0.02 0.00 0.00 41.25 41.41 1nqo s ASN 63 CO -0.07 -0.47 0.47 -0.76 0.02 0.00 0.00 177.10 176.29 1nqo s LEU 64 N -3.48 4.13 -0.15 0.60 1.43 -0.16 -1.37 118.68 119.68 1nqo s LEU 64 Ca 0.33 0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.82 1nqo s LEU 64 Cb 0.07 -3.25 0.05 0.00 0.03 0.00 0.00 46.19 43.09 1nqo s LEU 64 CO 0.14 -0.16 0.06 -0.69 0.23 0.00 0.00 176.35 175.92 1nqo s VAL 65 N -2.08 0.14 -0.21 -1.59 1.01 -0.26 -0.15 120.40 117.26 1nqo s VAL 65 Ca 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 1nqo s VAL 65 Cb -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1nqo s VAL 65 CO 0.32 -0.12 -0.10 -0.69 0.00 0.00 0.00 175.10 174.51 1nqo s VAL 66 N 2.04 2.89 -1.54 2.92 1.01 0.56 -1.64 120.40 126.65 1nqo s VAL 66 Ca 0.02 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 1nqo s VAL 66 Cb -0.15 -2.30 0.07 0.00 0.00 0.00 0.00 36.38 33.99 1nqo s VAL 66 CO -0.07 0.44 0.54 0.59 0.00 0.00 0.00 175.10 176.60 1nqo n ASN 67 N 4.73 -1.49 0.00 3.32 3.02 0.31 -0.21 115.26 124.93 1nqo n ASN 67 Ca -0.19 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1nqo n ASN 67 Cb 0.50 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 1nqo n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nqo n GLY 68 N -1.79 2.93 3.70 7.41 0.00 -1.26 -4.98 105.19 111.19 1nqo n GLY 68 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1nqo n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqo s LYS 69 N 0.00 4.44 0.06 1.61 -0.14 0.70 -5.03 119.74 121.38 1nqo s LYS 69 Ca 0.00 1.16 -0.21 0.00 -1.36 0.00 0.00 55.97 55.56 1nqo s LYS 69 Cb 0.00 -3.50 -0.06 0.00 -1.68 0.00 0.00 37.83 32.59 1nqo s LYS 69 CO 0.00 -0.12 0.64 -2.00 -0.76 0.00 0.00 175.35 173.11 1nqo s GLU 70 N 1.37 4.34 -0.14 1.68 2.12 -1.26 -0.32 118.70 126.49 1nqo s GLU 70 Ca 0.44 0.85 0.01 0.00 0.36 0.00 0.00 54.97 56.63 1nqo s GLU 70 Cb -0.19 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.93 1nqo s GLU 70 CO 0.20 0.48 -0.18 0.42 -0.54 0.00 0.00 175.26 175.64 1nqo s ILE 71 N -0.65 1.80 0.23 -3.70 -1.09 0.79 -4.93 121.20 113.66 1nqo s ILE 71 Ca 0.32 -0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 57.64 1nqo s ILE 71 Cb -0.20 -1.64 -0.10 0.00 -1.58 0.00 0.00 42.46 38.95 1nqo s ILE 71 CO 0.20 0.50 1.42 -0.63 -1.23 0.00 0.00 174.94 175.20 1nqo s ILE 72 N 1.13 2.78 -0.20 2.92 1.01 -0.69 -0.99 121.20 127.15 1nqo s ILE 72 Ca -0.01 0.64 -0.02 0.00 0.00 0.00 0.00 60.65 61.26 1nqo s ILE 72 Cb -0.14 -3.41 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 1nqo s ILE 72 CO -0.07 0.10 -0.09 -0.69 0.00 0.00 0.00 174.94 174.20 1nqo s VAL 73 N 0.09 3.06 0.22 2.92 1.01 -1.26 -0.97 120.40 125.47 1nqo s VAL 73 Ca 0.59 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1nqo s VAL 73 Cb -0.41 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1nqo s VAL 73 CO 0.41 0.46 0.01 -0.54 0.00 0.00 0.00 175.10 175.45 1nqo s LYS 74 N 1.32 2.39 -0.36 2.72 1.02 0.40 -4.91 119.74 122.31 1nqo s LYS 74 Ca 0.04 -1.24 0.13 0.00 0.02 0.00 0.00 55.97 54.92 1nqo s LYS 74 Cb -0.14 -2.29 0.37 0.00 -0.52 0.00 0.00 37.83 35.25 1nqo s LYS 74 CO -0.04 0.41 0.77 0.00 -0.92 0.00 0.00 175.35 175.57 1nqo n ALA 75 N -0.54 2.18 -3.14 5.17 0.00 -1.26 -1.78 120.51 121.14 1nqo n ALA 75 Ca -0.08 -3.32 -0.37 0.00 0.00 0.00 0.00 53.44 49.67 1nqo n ALA 75 Cb 0.57 -0.94 -0.13 0.00 0.00 0.00 0.00 19.45 18.96 1nqo n ALA 75 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nqo s GLU 76 N -2.49 3.45 0.27 0.00 0.41 -1.23 -4.89 118.70 114.22 1nqo s GLU 76 Ca 0.38 -0.61 0.05 0.00 -0.41 0.00 0.00 54.97 54.38 1nqo s GLU 76 Cb 0.37 -3.31 0.38 0.00 -1.78 0.00 0.00 34.13 29.79 1nqo s GLU 76 CO -0.06 -0.27 1.65 -0.09 -0.49 0.00 0.00 175.26 176.00 1nqo h ARG 77 N 8.23 0.25 -4.98 1.61 2.43 -1.98 -3.42 114.38 116.52 1nqo h ARG 77 Ca -0.37 -0.14 -0.66 0.00 -0.81 0.00 0.00 59.98 58.01 1nqo h ARG 77 Cb 1.16 0.01 -0.17 0.00 -0.42 0.00 0.00 29.97 30.55 1nqo h ARG 77 CO 0.59 0.68 -0.29 0.34 -1.51 0.00 0.00 179.97 179.78 1nqo s ASP 78 N -6.88 6.18 0.54 -3.80 -1.08 -1.26 -4.97 116.67 105.40 1nqo s ASP 78 Ca -0.04 -0.14 0.26 0.00 -0.52 0.00 0.00 52.55 52.10 1nqo s ASP 78 Cb 0.13 -2.20 1.43 0.00 -1.46 0.00 0.00 42.92 40.82 1nqo s ASP 78 CO 0.78 -0.31 1.99 -0.65 0.52 0.00 0.00 175.17 177.51 1nqo h PRO 79 N 8.42 0.00 0.00 4.34 0.11 -1.94 -1.54 132.00 141.39 1nqo h PRO 79 Ca -0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1nqo h PRO 79 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1nqo h PRO 79 CO 0.68 0.00 -0.01 0.93 -0.21 0.00 0.00 178.00 179.39 1nqo h GLU 80 N 0.00 0.00 -0.67 1.05 5.08 -1.94 -2.39 114.58 115.71 1nqo h GLU 80 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1nqo h GLU 80 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1nqo h GLU 80 CO -0.00 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.11 1nqo n ASN 81 N -3.27 4.60 0.21 1.42 5.03 -0.58 -4.47 115.26 118.19 1nqo n ASN 81 Ca -0.03 -2.37 0.13 0.00 0.87 0.00 0.00 54.58 53.19 1nqo n ASN 81 Cb 0.11 -0.57 0.32 0.00 -1.02 0.00 0.00 39.78 38.62 1nqo n ASN 81 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1nqo h LEU 82 N 4.11 0.00 -1.80 3.41 3.38 -1.58 -3.48 115.31 119.35 1nqo h LEU 82 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1nqo h LEU 82 Cb 1.37 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.00 1nqo h LEU 82 CO 0.20 0.00 -0.90 0.00 0.09 0.00 0.00 178.44 177.83 1nqo n ALA 83 N -2.04 -1.87 -0.37 1.53 0.00 -1.25 -4.85 120.51 111.66 1nqo n ALA 83 Ca 0.04 -0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.22 1nqo n ALA 83 Cb 0.46 -1.68 0.15 0.00 0.00 0.00 0.00 19.45 18.38 1nqo n ALA 83 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1nqo h TRP 84 N -1.75 1.23 -0.76 0.00 -0.00 -1.49 -2.56 115.95 110.62 1nqo h TRP 84 Ca -0.63 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.34 1nqo h TRP 84 Cb 1.38 -0.41 -0.05 0.00 -0.00 0.00 0.00 29.16 30.08 1nqo h TRP 84 CO 0.52 0.70 0.46 0.78 -0.00 0.00 0.00 178.44 180.90 1nqo h GLY 85 N 1.26 1.11 0.75 1.49 0.00 -1.47 -1.38 103.07 104.83 1nqo h GLY 85 Ca 0.41 -0.34 0.17 0.00 0.00 0.00 0.00 47.33 47.57 1nqo h GLY 85 CO -0.13 0.26 0.45 -2.09 0.00 0.00 0.00 176.54 175.03 1nqo h GLU 86 N 0.88 0.09 -0.41 4.80 4.22 -1.71 -0.59 114.58 121.86 1nqo h GLU 86 Ca 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.75 1nqo h GLU 86 Cb 0.10 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1nqo h GLU 86 CO -0.14 0.06 0.00 0.44 -2.18 0.00 0.00 179.01 177.19 1nqo n ILE 87 N -4.38 1.61 -1.29 2.32 -5.35 -0.88 -4.97 119.36 106.42 1nqo n ILE 87 Ca 0.12 -1.32 -0.08 0.00 -0.27 0.00 0.00 62.75 61.21 1nqo n ILE 87 Cb 0.65 0.17 -0.03 0.00 -1.74 0.00 0.00 39.64 38.69 1nqo n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nqo n GLY 88 N 0.38 0.90 3.63 3.28 0.00 -0.23 -4.99 105.19 108.16 1nqo n GLY 88 Ca 0.19 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1nqo n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqo s VAL 89 N -2.29 4.35 -0.11 1.61 1.01 -0.57 -4.56 120.40 119.84 1nqo s VAL 89 Ca 0.00 1.51 0.11 0.00 0.00 0.00 0.00 61.98 63.59 1nqo s VAL 89 Cb 0.00 -4.41 -0.24 0.00 0.00 0.00 0.00 36.38 31.73 1nqo s VAL 89 CO 0.00 -0.62 0.42 0.47 0.00 0.00 0.00 175.10 175.36 1nqo n ASP 90 N 7.31 0.90 -4.15 3.32 8.00 -0.97 -4.01 116.55 126.94 1nqo n ASP 90 Ca 0.13 0.25 -0.30 0.00 0.71 0.00 0.00 54.79 55.57 1nqo n ASP 90 Cb 0.47 0.07 -0.17 0.00 -0.02 0.00 0.00 41.12 41.48 1nqo n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqo s ILE 91 N -2.56 1.80 -0.10 0.53 1.01 -1.17 -0.37 121.20 120.34 1nqo s ILE 91 Ca -0.10 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.71 1nqo s ILE 91 Cb 0.07 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 1nqo s ILE 91 CO 0.80 0.50 -0.18 -0.69 0.00 0.00 0.00 174.94 175.37 1nqo s VAL 92 N 0.53 2.61 -0.42 2.92 1.01 -0.01 -1.10 120.40 125.95 1nqo s VAL 92 Ca -0.15 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 1nqo s VAL 92 Cb -0.17 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.19 1nqo s VAL 92 CO 0.05 0.55 0.44 -0.69 0.00 0.00 0.00 175.10 175.45 1nqo s VAL 93 N 0.11 5.09 -0.68 2.92 1.01 0.01 -0.19 120.40 128.66 1nqo s VAL 93 Ca -0.09 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 1nqo s VAL 93 Cb -0.15 -4.03 0.08 0.00 0.00 0.00 0.00 36.38 32.27 1nqo s VAL 93 CO 0.05 -0.41 0.95 -0.70 0.00 0.00 0.00 175.10 174.99 1nqo s GLU 94 N 2.14 3.15 -0.27 2.72 2.56 0.58 -1.02 118.70 128.56 1nqo s GLU 94 Ca 0.12 -0.97 0.12 0.00 0.00 0.00 0.00 54.97 54.24 1nqo s GLU 94 Cb -0.17 -4.30 0.47 0.00 2.00 0.00 0.00 34.13 32.13 1nqo s GLU 94 CO 0.14 -1.79 1.17 -1.13 -0.56 0.00 0.00 175.26 173.09 1nqo n SER 95 N 7.46 3.64 0.03 -1.70 3.41 0.57 -1.50 113.62 125.53 1nqo n SER 95 Ca -0.02 -3.24 -0.01 0.00 -0.26 0.00 0.00 58.87 55.33 1nqo n SER 95 Cb 0.45 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 1nqo n SER 95 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1nqo h THR 96 N 3.17 0.63 0.00 6.66 1.35 -1.74 -3.41 112.91 119.56 1nqo h THR 96 Ca 0.18 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 1nqo h THR 96 Cb 1.44 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 1nqo h THR 96 CO 0.52 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 1nqo n GLY 97 N 1.40 0.84 0.01 5.82 0.00 -1.26 -4.87 105.19 107.13 1nqo n GLY 97 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1nqo n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqo n ARG 98 N -2.06 0.91 -2.69 1.61 5.12 -1.26 -4.71 116.66 113.58 1nqo n ARG 98 Ca 0.00 -0.10 -0.27 0.00 -1.93 0.00 0.00 57.85 55.55 1nqo n ARG 98 Cb 0.00 -1.32 -0.02 0.00 -1.16 0.00 0.00 32.46 29.96 1nqo n ARG 98 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1nqo n PHE 99 N -1.85 3.72 0.51 -1.55 3.72 -1.26 -4.78 117.46 115.97 1nqo n PHE 99 Ca -0.01 -3.53 0.12 0.00 -0.05 0.00 0.00 57.45 53.98 1nqo n PHE 99 Cb 0.36 -0.27 0.26 0.00 -0.94 0.00 0.00 39.48 38.88 1nqo n PHE 99 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1nqo h THR 100 N 2.77 0.00 -3.62 4.37 1.35 -1.91 -3.32 112.91 112.55 1nqo h THR 100 Ca 0.22 -0.60 -0.51 0.00 -0.55 0.00 0.00 66.41 64.97 1nqo h THR 100 Cb 0.72 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 1nqo h THR 100 CO 0.84 0.00 0.26 -0.54 -0.25 0.00 0.00 175.52 175.82 1nqo s LYS 101 N -3.16 4.70 0.31 4.72 1.02 -1.26 -1.84 119.74 124.23 1nqo s LYS 101 Ca 0.08 1.30 0.03 0.00 0.02 0.00 0.00 55.97 57.40 1nqo s LYS 101 Cb 0.11 -3.27 0.61 0.00 -0.52 0.00 0.00 37.83 34.76 1nqo s LYS 101 CO 0.66 0.54 1.88 -0.09 -0.92 0.00 0.00 175.35 177.43 1nqo h ARG 102 N 4.28 0.91 -0.02 1.68 2.43 -1.43 -0.86 114.38 121.37 1nqo h ARG 102 Ca -0.46 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1nqo h ARG 102 Cb 1.20 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1nqo h ARG 102 CO 0.67 0.60 0.02 1.05 -1.51 0.00 0.00 179.97 180.80 1nqo h GLU 103 N 0.93 0.00 0.02 0.20 4.11 -1.93 0.31 114.58 118.23 1nqo h GLU 103 Ca 0.43 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.57 1nqo h GLU 103 Cb 0.41 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1nqo h GLU 103 CO -0.19 0.00 -1.58 -0.25 0.07 0.00 0.00 179.01 177.05 1nqo n ASP 104 N -3.83 1.93 0.19 3.06 8.00 -0.44 -4.18 116.55 121.27 1nqo n ASP 104 Ca -0.03 0.36 0.07 0.00 0.71 0.00 0.00 54.79 55.90 1nqo n ASP 104 Cb 0.10 -0.92 0.58 0.00 -0.02 0.00 0.00 41.12 40.86 1nqo n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nqo h ALA 105 N -0.43 1.91 0.00 2.24 0.00 -0.94 -1.40 119.26 120.64 1nqo h ALA 105 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1nqo h ALA 105 Cb 1.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1nqo h ALA 105 CO -0.17 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1nqo n ALA 106 N -2.52 1.46 0.23 0.00 0.00 0.11 -2.22 120.51 117.57 1nqo n ALA 106 Ca -0.02 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.60 1nqo n ALA 106 Cb 0.09 -1.32 0.56 0.00 0.00 0.00 0.00 19.45 18.78 1nqo n ALA 106 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nqo h LYS 107 N 0.00 0.00 -0.43 0.00 1.57 -1.42 -2.03 116.57 114.26 1nqo h LYS 107 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1nqo h LYS 107 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1nqo h LYS 107 CO 0.00 0.22 -0.10 0.45 -0.57 0.00 0.00 179.45 179.45 1nqo h HIS 108 N 0.00 0.82 -0.47 -1.35 3.86 -1.63 -1.25 115.15 115.14 1nqo h HIS 108 Ca -0.00 -0.14 -0.14 0.00 -1.16 0.00 0.00 60.37 58.93 1nqo h HIS 108 Cb 0.51 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1nqo h HIS 108 CO 0.00 0.82 -0.25 -0.07 0.86 0.00 0.00 177.93 179.29 1nqo h LEU 109 N 0.69 1.02 -1.51 2.43 3.38 -1.56 -2.11 115.31 117.65 1nqo h LEU 109 Ca 0.12 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1nqo h LEU 109 Cb 0.57 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1nqo h LEU 109 CO 0.04 1.21 0.26 -0.33 0.09 0.00 0.00 178.44 179.70 1nqo h GLU 110 N 0.85 0.59 0.00 1.13 5.08 -1.08 -1.24 114.58 119.91 1nqo h GLU 110 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1nqo h GLU 110 Cb 0.83 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1nqo h GLU 110 CO 0.07 0.42 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 1nqo n ALA 111 N -2.47 2.58 0.00 3.43 0.00 -0.50 -4.89 120.51 118.66 1nqo n ALA 111 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1nqo n ALA 111 Cb 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1nqo n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqo n GLY 112 N 0.79 2.15 3.78 0.00 0.00 -0.47 -1.24 105.19 110.20 1nqo n GLY 112 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1nqo n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqo s ALA 113 N -2.15 2.39 -0.12 4.61 0.00 -0.86 -3.89 121.76 121.74 1nqo s ALA 113 Ca 0.00 0.28 0.16 0.00 0.00 0.00 0.00 51.96 52.41 1nqo s ALA 113 Cb 0.00 -3.26 -0.24 0.00 0.00 0.00 0.00 23.12 19.62 1nqo s ALA 113 CO 0.00 -1.55 0.18 1.63 0.00 0.00 0.00 175.76 176.02 1nqo n LYS 114 N -3.22 0.98 -3.84 0.00 5.02 0.50 -4.31 118.16 113.29 1nqo n LYS 114 Ca 0.09 -0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 1nqo n LYS 114 Cb 0.53 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 33.98 1nqo n LYS 114 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nqo s LYS 115 N -2.71 0.24 -0.08 1.97 -0.14 0.05 -4.86 119.74 114.20 1nqo s LYS 115 Ca -0.08 0.01 0.04 0.00 -1.36 0.00 0.00 55.97 54.57 1nqo s LYS 115 Cb 0.07 0.11 0.00 0.00 -1.68 0.00 0.00 37.83 36.33 1nqo s LYS 115 CO 0.73 -0.04 -0.19 0.08 -0.76 0.00 0.00 175.35 175.16 1nqo s VAL 116 N -0.35 1.68 -0.32 3.17 1.01 -0.05 -0.83 120.40 124.71 1nqo s VAL 116 Ca -0.04 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 1nqo s VAL 116 Cb -0.03 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.91 1nqo s VAL 116 CO 0.00 0.48 0.08 -0.63 0.00 0.00 0.00 175.10 175.03 1nqo s ILE 117 N 0.41 3.66 -0.22 2.22 1.01 0.73 -0.08 121.20 128.93 1nqo s ILE 117 Ca -0.16 -1.10 -0.28 0.00 0.00 0.00 0.00 60.65 59.12 1nqo s ILE 117 Cb -0.17 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1nqo s ILE 117 CO 0.06 -0.11 0.97 -0.63 0.00 0.00 0.00 174.94 175.23 1nqo s ILE 118 N 1.39 4.74 0.00 2.92 1.01 0.24 -0.31 121.20 131.20 1nqo s ILE 118 Ca -0.01 1.89 -0.01 0.00 0.00 0.00 0.00 60.65 62.51 1nqo s ILE 118 Cb -0.19 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 1nqo s ILE 118 CO 0.02 -0.12 2.11 -1.54 0.00 0.00 0.00 174.94 175.40 1nqo n SER 119 N 6.03 4.85 -3.61 3.58 3.41 -0.56 -1.90 113.62 125.42 1nqo n SER 119 Ca 0.10 -2.30 0.01 0.00 -0.26 0.00 0.00 58.87 56.41 1nqo n SER 119 Cb 0.47 -1.08 -0.01 0.00 -0.26 0.00 0.00 64.21 63.34 1nqo n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nqo s ALA 120 N 0.37 -2.26 0.39 7.33 0.00 -1.16 -4.91 121.76 121.53 1nqo s ALA 120 Ca 0.11 0.84 -0.26 0.00 0.00 0.00 0.00 51.96 52.66 1nqo s ALA 120 Cb 0.05 0.28 -0.11 0.00 0.00 0.00 0.00 23.12 23.35 1nqo s ALA 120 CO 0.00 -1.00 1.24 -2.30 0.00 0.00 0.00 175.76 173.70 1nqo n PRO 121 N -0.44 1.91 -4.72 0.00 -0.02 -1.21 -4.13 135.00 126.37 1nqo n PRO 121 Ca -0.08 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 1nqo n PRO 121 Cb 0.62 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 1nqo n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nqo s ALA 122 N -1.17 3.97 -0.13 3.55 0.00 -1.26 -4.91 121.76 121.81 1nqo s ALA 122 Ca 0.59 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1nqo s ALA 122 Cb -0.54 0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1nqo s ALA 122 CO 0.59 -0.08 -0.14 0.21 0.00 0.00 0.00 175.76 176.33 1nqo s LYS 122 N -3.85 2.24 -1.51 0.00 2.20 -0.77 -4.73 119.74 113.33 1nqo s LYS 122 Ca 0.06 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1nqo s LYS 122 Cb 0.01 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.33 1nqo s LYS 122 CO 0.04 -0.16 0.00 0.09 -0.36 0.00 0.00 175.35 174.96 1nqo n ASN 123 N 4.52 -4.97 -4.78 1.43 3.02 -1.26 -1.23 115.26 111.99 1nqo n ASN 123 Ca -0.18 0.08 -0.33 0.00 -0.03 0.00 0.00 54.58 54.12 1nqo n ASN 123 Cb 0.51 -4.04 0.03 0.00 -0.61 0.00 0.00 39.78 35.66 1nqo n ASN 123 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1nqo s GLU 124 N -4.54 3.04 0.44 3.52 1.03 -1.26 -4.65 118.70 116.29 1nqo s GLU 124 Ca 0.00 1.32 0.16 0.00 0.03 0.00 0.00 54.97 56.48 1nqo s GLU 124 Cb 0.00 -1.99 0.99 0.00 -0.80 0.00 0.00 34.13 32.34 1nqo s GLU 124 CO 0.00 -1.05 1.96 -0.44 -1.33 0.00 0.00 175.26 174.40 1nqo h ASP 125 N 0.25 0.00 -3.25 0.83 3.32 -1.53 -3.45 116.42 112.60 1nqo h ASP 125 Ca -0.47 0.00 0.16 0.00 0.02 0.00 0.00 57.03 56.74 1nqo h ASP 125 Cb 1.24 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.52 1nqo h ASP 125 CO 0.56 0.22 0.76 -0.51 -1.72 0.00 0.00 179.24 178.55 1nqo s ILE 126 N -4.45 0.00 -0.15 0.35 2.07 -1.24 -4.95 121.20 112.83 1nqo s ILE 126 Ca -0.03 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.17 1nqo s ILE 126 Cb 0.15 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 1nqo s ILE 126 CO 0.69 0.00 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.79 1nqo s THR 127 N -0.70 3.92 0.03 4.00 2.01 -1.26 -1.51 115.64 122.13 1nqo s THR 127 Ca 0.05 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 61.76 1nqo s THR 127 Cb -0.02 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 1nqo s THR 127 CO -0.06 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.55 1nqo s ILE 128 N 0.21 1.58 -0.24 1.82 1.01 0.11 -4.75 121.20 120.93 1nqo s ILE 128 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.52 1nqo s ILE 128 Cb -0.14 -1.37 0.07 0.00 0.01 0.00 0.00 42.46 41.03 1nqo s ILE 128 CO 0.03 0.22 -0.01 -0.69 0.00 0.00 0.00 174.94 174.48 1nqo s VAL 129 N -0.75 1.31 0.20 2.92 1.01 -1.26 -4.12 120.40 119.71 1nqo s VAL 129 Ca 0.07 -1.18 -0.32 0.00 0.00 0.00 0.00 61.98 60.54 1nqo s VAL 129 Cb -0.08 -1.69 -0.14 0.00 0.00 0.00 0.00 36.38 34.46 1nqo s VAL 129 CO 0.01 -0.21 1.37 0.23 0.00 0.00 0.00 175.10 176.50 1nqo n MET 130 N 4.74 1.77 -0.20 2.72 0.00 -1.26 -0.94 117.12 123.95 1nqo n MET 130 Ca -0.09 0.63 0.00 0.00 0.00 0.00 0.00 57.70 58.24 1nqo n MET 130 Cb 0.44 -2.27 0.00 0.00 0.00 0.00 0.00 33.22 31.39 1nqo n MET 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1nqo n GLY 131 N 2.35 1.12 1.02 3.03 0.00 -1.26 -4.84 105.19 106.62 1nqo n GLY 131 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1nqo n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nqo n VAL 132 N -2.00 0.00 -2.23 1.61 0.31 -0.12 -4.97 118.33 110.93 1nqo n VAL 132 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1nqo n VAL 132 Cb 0.00 -1.45 -0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1nqo n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1nqo n ASN 133 N -2.98 0.27 0.23 4.52 6.94 -0.97 -4.90 115.26 118.37 1nqo n ASN 133 Ca 0.00 -1.90 0.16 0.00 -0.02 0.00 0.00 54.58 52.82 1nqo n ASN 133 Cb 0.48 -0.13 0.82 0.00 -2.36 0.00 0.00 39.78 38.59 1nqo n ASN 133 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1nqo h GLN 134 N 0.46 0.00 0.00 -3.83 -0.00 -1.94 0.02 115.11 109.82 1nqo h GLN 134 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 1nqo h GLN 134 Cb 1.59 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.07 1nqo h GLN 134 CO -0.01 0.00 0.00 0.38 -0.00 0.00 0.00 178.83 179.20 1nqo h ASP 135 N 0.00 0.00 0.70 0.06 3.04 -1.96 -1.92 116.42 116.33 1nqo h ASP 135 Ca 0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 1nqo h ASP 135 Cb 0.32 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.61 1nqo h ASP 135 CO -0.00 0.00 -0.12 0.29 -2.04 0.00 0.00 179.24 177.37 1nqo n LYS 136 N -2.46 0.22 -2.19 4.15 4.76 -0.01 -4.83 118.16 117.80 1nqo n LYS 136 Ca -0.00 -0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 54.98 1nqo n LYS 136 Cb 0.15 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 1nqo n LYS 136 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1nqo s TYR 137 N -2.82 3.21 -0.29 2.13 5.04 -0.73 -5.00 117.35 118.90 1nqo s TYR 137 Ca 0.19 1.26 0.02 0.00 -2.44 0.00 0.00 57.07 56.09 1nqo s TYR 137 Cb 0.19 -3.62 0.08 0.00 0.35 0.00 0.00 41.96 38.96 1nqo s TYR 137 CO 0.54 -1.89 0.02 0.34 -1.34 0.00 0.00 175.55 173.21 1nqo s ASP 138 N 0.13 4.25 0.56 4.32 2.15 -1.26 -5.00 116.67 121.81 1nqo s ASP 138 Ca 0.55 -1.65 0.31 0.00 0.43 0.00 0.00 52.55 52.19 1nqo s ASP 138 Cb -0.37 -1.27 1.47 0.00 -0.30 0.00 0.00 42.92 42.44 1nqo s ASP 138 CO 0.41 -0.33 1.86 1.55 -0.17 0.00 0.00 175.17 178.49 1nqo h PRO 138 N 7.86 0.00 0.02 4.34 0.13 -1.90 0.21 132.00 142.67 1nqo h PRO 138 Ca -0.12 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.80 1nqo h PRO 138 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1nqo h PRO 138 CO 0.47 0.00 -0.96 0.87 -0.23 0.00 0.00 178.00 178.15 1nqo h LYS 139 N 0.00 0.19 0.00 0.86 1.57 -1.94 -3.38 116.57 113.86 1nqo h LYS 139 Ca 0.37 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1nqo h LYS 139 Cb 1.64 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.03 1nqo h LYS 139 CO -0.00 1.01 -0.64 0.00 -0.57 0.00 0.00 179.45 179.25 1nqo n ALA 140 N -2.46 2.47 -2.82 3.86 0.00 -0.58 -4.97 120.51 116.01 1nqo n ALA 140 Ca -0.04 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1nqo n ALA 140 Cb 0.86 -0.18 -0.10 0.00 0.00 0.00 0.00 19.45 20.03 1nqo n ALA 140 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nqo s HIS 141 N -1.83 3.26 -0.06 0.00 3.76 0.65 -4.88 115.29 116.18 1nqo s HIS 141 Ca 0.00 -0.97 0.05 0.00 -0.15 0.00 0.00 55.06 53.99 1nqo s HIS 141 Cb 0.04 -2.64 -0.07 0.00 1.11 0.00 0.00 32.58 31.02 1nqo s HIS 141 CO 0.21 -0.69 0.02 0.72 -0.85 0.00 0.00 174.74 174.15 1nqo n HIS 142 N 5.05 0.00 -3.87 1.40 -0.00 -1.26 -4.72 115.22 111.81 1nqo n HIS 142 Ca -0.11 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.25 1nqo n HIS 142 Cb 0.45 -0.28 -0.13 0.00 -0.00 0.00 0.00 29.99 30.03 1nqo n HIS 142 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1nqo s VAL 143 N -2.14 3.14 0.04 1.59 1.01 -1.26 -0.87 120.40 121.91 1nqo s VAL 143 Ca -0.03 -1.40 0.05 0.00 0.00 0.00 0.00 61.98 60.61 1nqo s VAL 143 Cb 0.02 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1nqo s VAL 143 CO 0.23 -0.16 -0.11 -0.63 0.00 0.00 0.00 175.10 174.42 1nqo s ILE 144 N 1.27 3.30 -0.10 2.22 1.09 0.89 -1.20 121.20 128.67 1nqo s ILE 144 Ca -0.04 -1.02 -0.00 0.00 -1.10 0.00 0.00 60.65 58.49 1nqo s ILE 144 Cb -0.20 -2.45 -0.03 0.00 -1.06 0.00 0.00 42.46 38.73 1nqo s ILE 144 CO -0.01 0.31 -0.08 -0.55 -0.10 0.00 0.00 174.94 174.51 1nqo s SER 145 N -1.60 4.48 -0.09 3.58 0.15 -0.57 0.83 113.70 120.47 1nqo s SER 145 Ca 0.17 -0.13 0.16 0.00 0.70 0.00 0.00 55.95 56.85 1nqo s SER 145 Cb -0.11 -1.37 0.63 0.00 -1.71 0.00 0.00 66.02 63.46 1nqo s SER 145 CO 0.08 0.27 1.52 -3.20 1.20 0.00 0.00 173.24 173.12 1nqo n ASN 146 N 2.83 4.20 0.00 5.45 4.05 -0.80 0.04 115.26 131.03 1nqo n ASN 146 Ca -0.18 -2.37 0.00 0.00 0.45 0.00 0.00 54.58 52.48 1nqo n ASN 146 Cb 0.53 -0.54 0.00 0.00 1.23 0.00 0.00 39.78 41.00 1nqo n ASN 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nqo n ALA 147 N 1.00 0.00 -2.56 5.20 0.00 -1.26 -4.78 120.51 118.11 1nqo n ALA 147 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.44 1nqo n ALA 147 Cb 0.78 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.18 1nqo n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nqo s SER 148 N -4.00 4.91 0.34 0.00 1.04 -1.26 -2.98 113.70 111.75 1nqo s SER 148 Ca 0.00 -0.63 0.08 0.00 0.48 0.00 0.00 55.95 55.88 1nqo s SER 148 Cb 0.00 -0.87 0.62 0.00 0.10 0.00 0.00 66.02 65.87 1nqo s SER 148 CO 0.00 -0.25 1.81 0.77 0.98 0.00 0.00 173.24 176.54 1nqo h SER 149 N 1.50 0.22 -0.56 7.02 4.64 -1.89 -1.80 113.55 122.69 1nqo h SER 149 Ca -0.44 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 60.73 1nqo h SER 149 Cb 1.25 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1nqo h SER 149 CO 0.61 0.51 0.05 0.74 -0.87 0.00 0.00 176.83 177.87 1nqo h THR 150 N 0.20 1.26 -0.35 2.95 2.02 -1.95 -2.09 112.91 114.95 1nqo h THR 150 Ca 0.03 -1.04 -0.10 0.00 0.77 0.00 0.00 66.41 66.07 1nqo h THR 150 Cb 0.61 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1nqo h THR 150 CO 0.04 0.37 -0.20 0.74 0.37 0.00 0.00 175.52 176.84 1nqo h THR 151 N 0.83 1.27 0.00 3.16 2.02 -1.74 -1.15 112.91 117.30 1nqo h THR 151 Ca 0.16 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 1nqo h THR 151 Cb 0.47 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1nqo h THR 151 CO 0.02 0.42 -0.14 0.78 0.37 0.00 0.00 175.52 176.97 1nqo h ASN 152 N 0.59 0.00 0.09 4.18 2.35 -1.06 -0.38 115.58 121.35 1nqo h ASN 152 Ca 0.09 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.63 1nqo h ASN 152 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1nqo h ASN 152 CO 0.05 0.14 -1.03 0.00 -1.65 0.00 0.00 177.43 174.94 1nqo h LEU 154 N -0.49 -0.15 -0.69 0.00 5.85 -1.09 -3.37 115.31 115.37 1nqo h LEU 154 Ca -0.22 -0.39 0.13 0.00 0.84 0.00 0.00 57.88 58.24 1nqo h LEU 154 Cb 1.57 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.51 1nqo h LEU 154 CO 0.05 0.37 -0.26 0.00 -0.34 0.00 0.00 178.44 178.26 1nqo h ALA 155 N -0.03 0.25 -0.31 1.25 0.00 -1.29 -0.45 119.26 118.67 1nqo h ALA 155 Ca -0.02 0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1nqo h ALA 155 Cb 0.53 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1nqo h ALA 155 CO 0.03 -0.53 -0.11 -1.35 0.00 0.00 0.00 179.25 177.29 1nqo h PRO 156 N -0.07 -0.04 0.00 0.00 0.11 -1.75 0.66 132.00 130.91 1nqo h PRO 156 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1nqo h PRO 156 Cb 0.55 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1nqo h PRO 156 CO -0.74 -0.03 -0.12 0.27 -0.21 0.00 0.00 178.00 177.18 1nqo h PHE 157 N -0.04 0.00 -0.12 0.65 -5.15 -1.65 -2.99 116.94 107.63 1nqo h PHE 157 Ca 0.16 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.75 1nqo h PHE 157 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.45 1nqo h PHE 157 CO -0.32 0.00 -0.68 0.00 -2.00 0.00 0.00 178.31 175.31 1nqo h ALA 158 N 2.39 0.59 0.01 12.09 0.00 -0.46 -1.95 119.26 131.93 1nqo h ALA 158 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1nqo h ALA 158 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1nqo h ALA 158 CO 0.00 0.73 -0.01 -0.22 0.00 0.00 0.00 179.25 179.75 1nqo h LYS 159 N 0.35 -0.01 -0.50 0.00 3.64 -0.75 -1.48 116.57 117.81 1nqo h LYS 159 Ca -0.02 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1nqo h LYS 159 Cb 1.25 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 1nqo h LYS 159 CO 0.12 -0.00 0.31 0.28 -2.27 0.00 0.00 179.45 177.89 1nqo h VAL 160 N -0.02 1.08 -0.70 2.00 2.07 -1.43 -0.94 116.25 118.31 1nqo h VAL 160 Ca -0.00 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1nqo h VAL 160 Cb 0.02 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1nqo h VAL 160 CO 0.00 0.11 0.20 -0.07 0.02 0.00 0.00 177.57 177.84 1nqo h LEU 161 N 0.63 1.03 -0.09 2.57 3.38 -1.21 -0.35 115.31 121.27 1nqo h LEU 161 Ca 0.19 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1nqo h LEU 161 Cb -0.02 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 1nqo h LEU 161 CO -0.07 0.98 -0.16 -0.74 0.09 0.00 0.00 178.44 178.54 1nqo h HIS 162 N 1.03 0.33 -0.16 1.13 2.76 -1.03 0.21 115.15 119.42 1nqo h HIS 162 Ca 0.22 -0.12 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 1nqo h HIS 162 Cb 0.33 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1nqo h HIS 162 CO 0.03 0.75 -0.31 0.93 -1.30 0.00 0.00 177.93 178.03 1nqo h GLU 163 N -0.18 0.32 0.10 5.26 5.08 -1.17 0.33 114.58 124.32 1nqo h GLU 163 Ca 0.01 -0.13 -0.33 0.00 -1.00 0.00 0.00 59.36 57.91 1nqo h GLU 163 Cb 0.73 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1nqo h GLU 163 CO 0.04 0.61 -1.77 0.37 -1.00 0.00 0.00 179.01 177.26 1nqo h GLN 164 N 0.28 0.20 0.00 2.33 5.75 -1.08 -3.43 115.11 119.17 1nqo h GLN 164 Ca 0.04 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 1nqo h GLN 164 Cb 0.70 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.37 1nqo h GLN 164 CO 0.05 1.01 -0.38 1.19 -2.65 0.00 0.00 178.83 178.05 1nqo n PHE 165 N -3.37 0.00 -0.62 3.99 3.72 0.61 -4.99 117.46 116.80 1nqo n PHE 165 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1nqo n PHE 165 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 1nqo n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nqo n GLY 166 N 1.17 -3.80 3.65 1.37 0.00 0.12 -2.13 105.19 105.57 1nqo n GLY 166 Ca 0.00 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 1nqo n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nqo s ILE 167 N -0.07 5.33 -0.11 -0.61 1.01 -1.26 -0.93 121.20 124.56 1nqo s ILE 167 Ca 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.77 1nqo s ILE 167 Cb 0.00 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.81 1nqo s ILE 167 CO 0.00 0.31 0.41 0.58 0.00 0.00 0.00 174.94 176.24 1nqo h VAL 168 N 5.09 0.79 -2.11 2.92 2.07 -0.73 -3.48 116.25 120.80 1nqo h VAL 168 Ca -0.37 -1.53 0.07 0.00 0.82 0.00 0.00 66.70 65.69 1nqo h VAL 168 Cb 1.17 1.48 -0.18 0.00 -1.52 0.00 0.00 31.29 32.25 1nqo h VAL 168 CO 0.65 0.26 0.45 0.00 0.02 0.00 0.00 177.57 178.95 1nqo s ARG 169 N -2.05 0.82 0.17 1.57 1.70 -1.21 -4.81 118.95 115.14 1nqo s ARG 169 Ca -0.09 -0.12 -0.18 0.00 -0.47 0.00 0.00 55.73 54.86 1nqo s ARG 169 Cb -0.01 0.38 0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1nqo s ARG 169 CO 0.33 -0.32 0.51 0.20 -1.08 0.00 0.00 175.30 174.94 1nqo s GLY 170 N -1.97 -0.25 -0.01 3.88 0.00 0.19 -0.55 107.32 108.62 1nqo s GLY 170 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.71 1nqo s GLY 170 CO -0.04 -0.18 -0.05 1.06 0.00 0.00 0.00 173.10 173.89 1nqo s MET 171 N -3.83 0.43 0.22 2.90 -1.94 0.21 -2.80 119.30 114.49 1nqo s MET 171 Ca 0.06 -0.16 0.07 0.00 -1.71 0.00 0.00 55.69 53.95 1nqo s MET 171 Cb -0.00 -0.43 -0.05 0.00 2.01 0.00 0.00 34.83 36.36 1nqo s MET 171 CO -0.07 0.08 -0.10 0.00 -0.01 0.00 0.00 175.02 174.92 1nqo s MET 172 N 0.02 1.37 -0.04 2.03 0.23 -0.59 -1.05 119.30 121.26 1nqo s MET 172 Ca 0.00 -1.64 -0.02 0.00 -1.03 0.00 0.00 55.69 53.01 1nqo s MET 172 Cb -0.03 -1.03 0.03 0.00 -1.53 0.00 0.00 34.83 32.26 1nqo s MET 172 CO -0.00 0.11 0.09 0.99 -2.03 0.00 0.00 175.02 174.18 1nqo s THR 173 N -3.06 -0.05 -0.24 3.16 2.01 -0.62 -1.55 115.64 115.30 1nqo s THR 173 Ca 0.24 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.37 1nqo s THR 173 Cb 0.01 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.35 1nqo s THR 173 CO 0.08 0.07 0.00 0.28 -0.69 0.00 0.00 174.62 174.36 1nqo s THR 174 N 1.00 3.68 -0.49 -0.82 -1.32 -0.71 -1.12 115.64 115.85 1nqo s THR 174 Ca -0.08 -0.44 -0.26 0.00 -1.21 0.00 0.00 61.69 59.70 1nqo s THR 174 Cb -0.11 -2.72 0.03 0.00 -1.51 0.00 0.00 72.50 68.20 1nqo s THR 174 CO -0.04 0.36 1.00 -0.69 -2.21 0.00 0.00 174.62 173.04 1nqo s VAL 175 N 1.51 4.36 -0.04 5.08 1.01 -0.66 -1.01 120.40 130.64 1nqo s VAL 175 Ca 0.05 0.76 0.05 0.00 0.00 0.00 0.00 61.98 62.85 1nqo s VAL 175 Cb -0.15 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 1nqo s VAL 175 CO -0.01 -0.98 -0.19 -2.28 0.00 0.00 0.00 175.10 171.64 1nqo s HIS 176 N 4.05 2.56 0.83 5.22 5.04 -0.13 -1.10 115.29 131.77 1nqo s HIS 176 Ca 0.38 -0.32 -0.11 0.00 -1.54 0.00 0.00 55.06 53.47 1nqo s HIS 176 Cb -0.10 -1.59 0.10 0.00 0.04 0.00 0.00 32.58 31.03 1nqo s HIS 176 CO 0.26 0.06 1.14 -1.12 -2.34 0.00 0.00 174.74 172.74 1nqo s SER 177 N -0.59 3.66 0.84 9.88 0.01 -1.23 -1.09 113.70 125.17 1nqo s SER 177 Ca 0.09 2.11 -0.11 0.00 1.31 0.00 0.00 55.95 59.34 1nqo s SER 177 Cb -0.11 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.66 1nqo s SER 177 CO 0.01 -2.61 1.09 -0.72 0.41 0.00 0.00 173.24 171.42 1nqo s TYR 178 N -2.60 2.50 0.24 2.43 -0.85 -0.55 -4.71 117.35 113.82 1nqo s TYR 178 Ca 0.66 1.31 0.01 0.00 -0.52 0.00 0.00 57.07 58.54 1nqo s TYR 178 Cb -0.22 -3.11 -0.04 0.00 0.38 0.00 0.00 41.96 38.97 1nqo s TYR 178 CO 0.55 -2.09 0.17 0.95 -1.52 0.00 0.00 175.55 173.60 1nqo s THR 179 N -2.97 0.06 -1.71 -3.49 -4.23 -1.26 -4.70 115.64 97.33 1nqo s THR 179 Ca 0.62 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.23 1nqo s THR 179 Cb -0.17 -2.51 0.22 0.00 1.34 0.00 0.00 72.50 71.39 1nqo s THR 179 CO 0.56 0.00 1.11 0.59 -0.54 0.00 0.00 174.62 176.35 1nqo n ASN 180 N -0.64 0.00 0.08 3.99 3.02 -1.26 -1.55 115.26 118.90 1nqo n ASN 180 Ca 0.03 -0.08 0.13 0.00 -0.03 0.00 0.00 54.58 54.63 1nqo n ASN 180 Cb 0.65 -0.15 0.38 0.00 -0.61 0.00 0.00 39.78 40.06 1nqo n ASN 180 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1nqo n ASP 181 N -1.15 0.69 -1.99 6.41 2.03 -1.26 -4.86 116.55 116.42 1nqo n ASP 181 Ca 0.06 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1nqo n ASP 181 Cb 0.06 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1nqo n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nqo n GLN 182 N -2.12 1.14 -4.28 -0.67 6.02 -0.60 -4.99 117.38 111.88 1nqo n GLN 182 Ca 0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.85 1nqo n GLN 182 Cb 0.42 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.55 1nqo n GLN 182 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1nqo s ARG 183 N -0.46 0.85 -0.01 -1.09 1.81 -1.17 -5.03 118.95 113.84 1nqo s ARG 183 Ca 0.00 -0.78 -0.24 0.00 -1.72 0.00 0.00 55.73 52.99 1nqo s ARG 183 Cb 0.00 -0.83 -0.17 0.00 -0.45 0.00 0.00 34.95 33.50 1nqo s ARG 183 CO 0.00 0.20 1.13 0.82 -0.68 0.00 0.00 175.30 176.77 1nqo h ILE 184 N 4.47 0.83 -3.07 1.52 2.04 -1.89 -1.35 117.51 120.07 1nqo h ILE 184 Ca -0.38 -0.83 -0.47 0.00 1.00 0.00 0.00 64.86 64.18 1nqo h ILE 184 Cb 1.18 1.28 -0.41 0.00 -0.74 0.00 0.00 36.82 38.14 1nqo h ILE 184 CO 0.43 0.17 -0.75 -0.76 0.00 0.00 0.00 178.15 177.24 1nqo s LEU 185 N -9.31 0.50 0.00 1.44 1.43 -1.26 -3.86 118.68 107.62 1nqo s LEU 185 Ca -0.14 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1nqo s LEU 185 Cb 0.02 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.93 1nqo s LEU 185 CO 0.54 -0.35 0.00 0.47 0.23 0.00 0.00 176.35 177.24 1nqo n ASP 186 N 5.24 0.00 -4.37 2.29 9.92 -1.22 -4.84 116.55 123.57 1nqo n ASP 186 Ca -0.07 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.00 1nqo n ASP 186 Cb 0.48 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.86 1nqo n ASP 186 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1nqo s LEU 187 N 0.00 2.47 0.44 0.64 1.43 0.25 -4.98 118.68 118.94 1nqo s LEU 187 Ca 0.00 -1.11 -0.25 0.00 -1.03 0.00 0.00 54.13 51.74 1nqo s LEU 187 Cb 0.00 -0.58 -0.09 0.00 0.03 0.00 0.00 46.19 45.55 1nqo s LEU 187 CO 0.00 -0.30 1.21 -2.65 0.23 0.00 0.00 176.35 174.85 1nqo n PRO 188 N -0.45 1.75 -3.64 1.29 -0.02 -1.26 -4.46 135.00 128.21 1nqo n PRO 188 Ca -0.07 0.63 -0.10 0.00 -2.02 0.00 0.00 63.50 61.94 1nqo n PRO 188 Cb 0.62 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.71 1nqo n PRO 188 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1nqo s HIS 190 N -1.24 -0.56 0.44 6.00 2.46 -1.26 -4.91 115.29 116.23 1nqo s HIS 190 Ca 0.63 1.34 0.19 0.00 0.47 0.00 0.00 55.06 57.69 1nqo s HIS 190 Cb -0.50 0.35 1.13 0.00 -0.13 0.00 0.00 32.58 33.43 1nqo s HIS 190 CO 0.56 -0.27 1.90 0.87 -2.47 0.00 0.00 174.74 175.33 1nqo h LYS 191 N 4.48 0.33 -4.48 2.88 1.57 -1.98 -3.31 116.57 116.06 1nqo h LYS 191 Ca -0.28 -0.02 -0.72 0.00 -1.87 0.00 0.00 60.65 57.75 1nqo h LYS 191 Cb 1.17 -0.07 -0.21 0.00 0.08 0.00 0.00 32.23 33.20 1nqo h LYS 191 CO 0.10 0.22 -0.23 0.34 -0.57 0.00 0.00 179.45 179.31 1nqo s ASP 192 N -5.82 6.17 0.29 0.86 -1.08 -1.26 -4.93 116.67 110.90 1nqo s ASP 192 Ca -0.07 -1.22 0.16 0.00 -0.52 0.00 0.00 52.55 50.90 1nqo s ASP 192 Cb 0.22 -2.21 0.89 0.00 -1.46 0.00 0.00 42.92 40.36 1nqo s ASP 192 CO 0.77 -0.71 1.46 0.18 0.52 0.00 0.00 175.17 177.38 1nqo n LEU 193 N 5.46 0.43 -0.07 -1.34 4.77 -1.25 -1.38 117.00 123.63 1nqo n LEU 193 Ca -0.11 0.65 -0.16 0.00 -0.03 0.00 0.00 56.01 56.37 1nqo n LEU 193 Cb 0.44 -0.67 -0.13 0.00 -2.33 0.00 0.00 43.42 40.73 1nqo n LEU 193 CO 0.49 -0.80 0.21 0.03 -1.33 0.00 0.00 177.39 175.99 1nqo h ARG 194 N 0.00 0.02 0.00 3.23 2.47 -1.91 -3.30 114.38 114.90 1nqo h ARG 194 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1nqo h ARG 194 Cb 0.24 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1nqo h ARG 194 CO 0.00 1.02 0.00 0.54 0.56 0.00 0.00 179.97 182.09 1nqo n ARG 195 N -4.54 0.29 0.19 0.04 1.74 -0.48 -2.43 116.66 111.47 1nqo n ARG 195 Ca -0.14 0.11 0.06 0.00 -0.77 0.00 0.00 57.85 57.11 1nqo n ARG 195 Cb 0.54 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.77 1nqo n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqo h ALA 196 N 2.88 0.91 -2.11 7.54 0.00 -1.48 -3.09 119.26 123.91 1nqo h ALA 196 Ca 0.00 -0.32 -0.45 0.00 0.00 0.00 0.00 54.91 54.14 1nqo h ALA 196 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1nqo h ALA 196 CO 0.00 0.44 0.35 1.03 0.00 0.00 0.00 179.25 181.08 1nqo s ARG 197 N -3.43 4.12 -0.58 0.00 1.81 -1.02 -0.58 118.95 119.27 1nqo s ARG 197 Ca 0.01 1.06 -0.41 0.00 -1.72 0.00 0.00 55.73 54.67 1nqo s ARG 197 Cb 0.10 -2.16 -0.19 0.00 -0.45 0.00 0.00 34.95 32.24 1nqo s ARG 197 CO 0.69 -0.12 2.24 0.00 -0.68 0.00 0.00 175.30 177.42 1nqo n ALA 198 N -1.00 0.29 -0.31 2.13 0.00 -1.26 -4.41 120.51 115.95 1nqo n ALA 198 Ca 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 1nqo n ALA 198 Cb 0.54 -2.15 0.18 0.00 0.00 0.00 0.00 19.45 18.02 1nqo n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqo h ALA 199 N 9.81 1.38 -0.19 0.00 0.00 -1.35 -2.72 119.26 126.19 1nqo h ALA 199 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nqo h ALA 199 Cb 1.39 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1nqo h ALA 199 CO 1.14 0.56 0.00 0.00 0.00 0.00 0.00 179.25 180.94 1nqo n ALA 200 N -2.40 2.51 0.37 0.00 0.00 -1.26 -4.11 120.51 115.62 1nqo n ALA 200 Ca 0.11 -0.53 0.05 0.00 0.00 0.00 0.00 53.44 53.06 1nqo n ALA 200 Cb 0.05 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 1nqo n ALA 200 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nqo n GLU 201 N 0.34 3.03 -4.11 0.00 -0.58 -1.03 -4.76 120.64 113.53 1nqo n GLU 201 Ca 0.16 -0.02 -0.10 0.00 -0.42 0.00 0.00 57.16 56.77 1nqo n GLU 201 Cb 0.32 -1.02 -0.09 0.00 -0.57 0.00 0.00 31.44 30.08 1nqo n GLU 201 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1nqo s SER 202 N -2.19 0.18 -0.21 1.62 0.01 -1.21 -5.06 113.70 106.84 1nqo s SER 202 Ca 0.02 -1.17 -0.19 0.00 1.31 0.00 0.00 55.95 55.92 1nqo s SER 202 Cb 0.07 0.37 -0.03 0.00 0.21 0.00 0.00 66.02 66.64 1nqo s SER 202 CO 0.41 -0.82 0.56 -0.63 0.41 0.00 0.00 173.24 173.17 1nqo s ILE 203 N -4.06 5.07 -0.30 1.44 1.01 -1.26 -4.16 121.20 118.94 1nqo s ILE 203 Ca 0.27 1.02 0.03 0.00 0.00 0.00 0.00 60.65 61.97 1nqo s ILE 203 Cb 0.06 -3.88 0.08 0.00 0.01 0.00 0.00 42.46 38.73 1nqo s ILE 203 CO 0.05 0.14 -0.03 -0.63 0.00 0.00 0.00 174.94 174.46 1nqo s ILE 204 N 1.84 2.25 0.16 2.92 1.01 0.14 -4.94 121.20 124.57 1nqo s ILE 204 Ca 0.25 -1.96 -0.31 0.00 0.00 0.00 0.00 60.65 58.64 1nqo s ILE 204 Cb -0.16 -2.48 -0.08 0.00 0.01 0.00 0.00 42.46 39.75 1nqo s ILE 204 CO 0.10 -0.29 1.34 -2.84 0.00 0.00 0.00 174.94 173.25 1nqo s PRO 205 N 1.01 4.36 0.08 2.79 0.02 -1.26 -0.41 135.00 141.60 1nqo s PRO 205 Ca 0.00 2.06 -0.08 0.00 0.02 0.00 0.00 61.00 63.00 1nqo s PRO 205 Cb -0.20 -3.22 -0.00 0.00 0.02 0.00 0.00 34.50 31.10 1nqo s PRO 205 CO -0.06 -0.33 0.18 -0.08 -0.33 0.00 0.00 177.00 176.37 1nqo s THR 206 N 0.53 0.14 0.63 0.99 -1.32 0.39 -4.82 115.64 112.18 1nqo s THR 206 Ca 0.60 -1.19 -0.09 0.00 -1.21 0.00 0.00 61.69 59.80 1nqo s THR 206 Cb -0.37 -1.31 -0.01 0.00 -1.51 0.00 0.00 72.50 69.30 1nqo s THR 206 CO 0.35 -0.66 0.99 0.42 -2.21 0.00 0.00 174.62 173.51 1nqo s THR 207 N -3.76 3.98 -0.16 5.08 -4.23 -1.26 -0.57 115.64 114.72 1nqo s THR 207 Ca 0.04 0.40 -0.26 0.00 -1.18 0.00 0.00 61.69 60.70 1nqo s THR 207 Cb 0.05 -3.61 0.06 0.00 1.34 0.00 0.00 72.50 70.34 1nqo s THR 207 CO -0.10 -0.73 0.65 0.28 -0.54 0.00 0.00 174.62 174.18 1nqo s THR 208 N -3.14 0.00 -2.48 3.99 -1.32 -1.26 -4.65 115.64 106.78 1nqo s THR 208 Ca 0.55 -0.03 0.23 0.00 -1.21 0.00 0.00 61.69 61.23 1nqo s THR 208 Cb -0.11 -0.94 0.37 0.00 -1.51 0.00 0.00 72.50 70.31 1nqo s THR 208 CO 0.50 -0.01 1.36 0.61 -2.21 0.00 0.00 174.62 174.86 1nqo n GLY 209 N 1.93 1.58 0.36 6.08 0.00 -1.26 -4.49 105.19 109.39 1nqo n GLY 209 Ca -0.16 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.25 1nqo n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqo h ALA 210 N 4.39 1.59 -0.50 4.61 0.00 -1.95 0.47 119.26 127.86 1nqo h ALA 210 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1nqo h ALA 210 Cb 0.97 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1nqo h ALA 210 CO 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 179.25 179.29 1nqo h ALA 211 N 1.60 0.68 0.03 0.00 0.00 -1.90 -2.92 119.26 116.75 1nqo h ALA 211 Ca 0.54 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.93 1nqo h ALA 211 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1nqo h ALA 211 CO -0.33 0.52 -0.98 0.87 0.00 0.00 0.00 179.25 179.32 1nqo h LYS 212 N 0.77 0.18 0.00 0.00 1.57 -1.47 -3.19 116.57 114.43 1nqo h LYS 212 Ca 0.14 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1nqo h LYS 212 Cb 0.55 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1nqo h LYS 212 CO 0.03 1.02 -0.01 0.00 -0.57 0.00 0.00 179.45 179.92 1nqo h ALA 213 N 0.89 1.04 0.00 3.86 0.00 -0.03 -1.04 119.26 123.98 1nqo h ALA 213 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1nqo h ALA 213 Cb 1.66 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1nqo h ALA 213 CO 0.15 0.01 -0.05 0.28 0.00 0.00 0.00 179.25 179.64 1nqo h VAL 214 N 0.00 0.67 0.00 0.00 2.07 -1.50 -0.23 116.25 117.27 1nqo h VAL 214 Ca -0.00 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1nqo h VAL 214 Cb 0.20 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1nqo h VAL 214 CO 0.00 0.05 -0.30 0.00 0.02 0.00 0.00 177.57 177.34 1nqo h ALA 215 N 1.95 1.26 -0.72 1.67 0.00 -1.38 0.17 119.26 122.21 1nqo h ALA 215 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1nqo h ALA 215 Cb 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1nqo h ALA 215 CO 0.01 0.37 0.34 -0.07 0.00 0.00 0.00 179.25 179.90 1nqo h LEU 216 N 0.00 0.93 0.00 0.00 3.38 -1.17 -1.82 115.31 116.63 1nqo h LEU 216 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1nqo h LEU 216 Cb 0.63 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1nqo h LEU 216 CO 0.04 0.80 -1.04 1.33 0.09 0.00 0.00 178.44 179.65 1nqo n VAL 217 N -4.32 0.01 -3.25 1.22 0.24 -0.97 -4.57 118.33 106.69 1nqo n VAL 217 Ca 0.07 -0.06 -0.25 0.00 -2.04 0.00 0.00 64.34 62.06 1nqo n VAL 217 Cb 0.14 0.78 -0.08 0.00 -1.47 0.00 0.00 33.84 33.22 1nqo n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1nqo n LEU 218 N -1.60 0.23 -0.45 1.34 4.77 0.57 -4.66 117.00 117.21 1nqo n LEU 218 Ca 0.03 -4.67 0.40 0.00 -0.03 0.00 0.00 56.01 51.74 1nqo n LEU 218 Cb 0.36 0.55 0.74 0.00 -2.33 0.00 0.00 43.42 42.74 1nqo n LEU 218 CO 0.42 2.03 1.35 -0.65 -1.33 0.00 0.00 177.39 179.21 1nqo h PRO 219 N 4.33 0.05 0.00 3.23 0.11 -1.58 0.34 132.00 138.48 1nqo h PRO 219 Ca 0.11 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1nqo h PRO 219 Cb 0.87 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1nqo h PRO 219 CO 0.46 0.03 -0.06 0.93 -0.21 0.00 0.00 178.00 179.16 1nqo h GLU 220 N 0.05 0.00 -0.61 1.05 3.07 -1.94 -2.34 114.58 113.85 1nqo h GLU 220 Ca 0.71 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 1nqo h GLU 220 Cb 2.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.59 1nqo h GLU 220 CO -0.09 0.06 0.00 1.28 -1.40 0.00 0.00 179.01 178.86 1nqo n LEU 221 N -3.40 3.63 -4.72 1.33 4.77 0.12 -4.93 117.00 113.79 1nqo n LEU 221 Ca -0.02 -1.83 -0.43 0.00 -0.03 0.00 0.00 56.01 53.71 1nqo n LEU 221 Cb 0.20 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1nqo n LEU 221 CO 0.27 0.63 1.23 1.17 -1.33 0.00 0.00 177.39 179.36 1nqo n LYS 222 N 0.79 2.57 -0.87 3.23 4.81 -0.88 -1.48 118.16 126.32 1nqo n LYS 222 Ca 0.19 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.55 1nqo n LYS 222 Cb 0.68 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1nqo n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nqo n GLY 223 N 2.68 0.32 0.00 3.14 0.00 -1.26 -4.84 105.19 105.23 1nqo n GLY 223 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1nqo n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nqo n LYS 224 N -1.33 0.11 -4.08 1.61 5.02 -0.55 -4.99 118.16 113.95 1nqo n LYS 224 Ca 0.00 -0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 1nqo n LYS 224 Cb 0.15 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 1nqo n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nqo s LEU 225 N -3.25 2.28 0.22 -0.35 1.43 -1.26 -0.64 118.68 117.11 1nqo s LEU 225 Ca 0.05 -0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 52.36 1nqo s LEU 225 Cb 0.16 -0.17 0.03 0.00 0.03 0.00 0.00 46.19 46.24 1nqo s LEU 225 CO 0.88 -0.22 0.60 0.21 0.23 0.00 0.00 176.35 178.04 1nqo s ASN 226 N -1.73 -0.32 -0.00 2.29 2.47 -1.12 -4.17 114.94 112.34 1nqo s ASN 226 Ca -0.07 -0.43 -0.04 0.00 0.42 0.00 0.00 52.86 52.74 1nqo s ASN 226 Cb -0.08 0.63 0.01 0.00 -1.45 0.00 0.00 41.25 40.36 1nqo s ASN 226 CO -0.00 -1.13 0.19 0.61 -3.72 0.00 0.00 177.10 173.05 1nqo n GLY 227 N -0.39 0.59 3.48 1.21 0.00 -1.26 -1.54 105.19 107.28 1nqo n GLY 227 Ca -0.09 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1nqo n GLY 227 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1nqo s MET 228 N -2.00 1.79 0.16 1.61 0.23 -0.59 -4.36 119.30 116.13 1nqo s MET 228 Ca 0.04 -1.66 0.06 0.00 -1.03 0.00 0.00 55.69 53.11 1nqo s MET 228 Cb -0.00 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.69 1nqo s MET 228 CO -0.00 -0.73 -0.14 0.00 -2.03 0.00 0.00 175.02 172.12 1nqo s ALA 229 N -3.32 1.69 -0.23 3.16 0.00 0.27 -1.74 121.76 121.59 1nqo s ALA 229 Ca 0.30 -1.46 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1nqo s ALA 229 Cb 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.13 1nqo s ALA 229 CO 0.18 0.07 0.07 -1.64 0.00 0.00 0.00 175.76 174.44 1nqo s MET 230 N -3.17 0.47 -0.04 0.00 -1.94 -0.18 -0.46 119.30 113.99 1nqo s MET 230 Ca 0.15 -0.49 -0.30 0.00 -1.71 0.00 0.00 55.69 53.34 1nqo s MET 230 Cb -0.02 -1.87 -0.02 0.00 2.01 0.00 0.00 34.83 34.92 1nqo s MET 230 CO 0.04 -0.77 0.98 1.03 -0.01 0.00 0.00 175.02 176.29 1nqo s ARG 231 N 1.91 4.51 0.30 2.03 1.81 0.46 -0.95 118.95 129.02 1nqo s ARG 231 Ca 0.03 1.40 0.07 0.00 -1.72 0.00 0.00 55.73 55.51 1nqo s ARG 231 Cb -0.17 -3.49 -0.06 0.00 -0.45 0.00 0.00 34.95 30.79 1nqo s ARG 231 CO -0.16 -0.13 -0.06 0.14 -0.68 0.00 0.00 175.30 174.40 1nqo s VAL 232 N 1.33 1.79 -0.27 3.52 -7.23 -0.25 0.27 120.40 119.54 1nqo s VAL 232 Ca 0.50 -2.14 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1nqo s VAL 232 Cb -0.20 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 1nqo s VAL 232 CO 0.25 -0.26 1.51 -2.65 -0.31 0.00 0.00 175.10 173.64 1nqo n PRO 233 N -0.65 0.87 -4.35 4.82 -0.02 -1.26 -3.06 135.00 131.35 1nqo n PRO 233 Ca -0.05 -0.70 -0.19 0.00 -2.02 0.00 0.00 63.50 60.54 1nqo n PRO 233 Cb 0.64 -1.98 -0.14 0.00 -0.02 0.00 0.00 33.50 32.00 1nqo n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nqo s THR 234 N 3.42 0.93 -0.06 3.45 -4.23 -1.26 -5.02 115.64 112.87 1nqo s THR 234 Ca 0.20 -0.79 0.26 0.00 -1.18 0.00 0.00 61.69 60.18 1nqo s THR 234 Cb 0.07 -0.84 0.30 0.00 1.34 0.00 0.00 72.50 73.37 1nqo s THR 234 CO -0.01 0.05 1.78 1.55 -0.54 0.00 0.00 174.62 177.45 1nqo h PRO 235 N 5.26 0.00 -1.94 3.99 0.13 -1.87 -1.45 132.00 136.12 1nqo h PRO 235 Ca -0.35 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.88 1nqo h PRO 235 Cb 1.18 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 1nqo h PRO 235 CO 0.46 0.12 0.53 1.21 -0.23 0.00 0.00 178.00 180.08 1nqo s ASN 236 N -6.05 -0.36 0.00 1.44 2.47 -1.26 -4.69 114.94 106.48 1nqo s ASN 236 Ca 0.03 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.48 1nqo s ASN 236 Cb 0.08 0.34 0.00 0.00 -1.45 0.00 0.00 41.25 40.22 1nqo s ASN 236 CO 0.63 -0.49 0.00 0.52 -3.72 0.00 0.00 177.10 174.04 1nqo n VAL 237 N 0.17 -0.54 -4.38 -5.21 0.31 -1.26 -4.87 118.33 102.56 1nqo n VAL 237 Ca -0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 1nqo n VAL 237 Cb 0.60 -0.49 -0.09 0.00 -0.91 0.00 0.00 33.84 32.95 1nqo n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1nqo s SER 238 N -0.58 1.93 -0.13 4.52 0.01 0.72 -3.57 113.70 116.59 1nqo s SER 238 Ca 0.00 -1.63 -0.08 0.00 1.31 0.00 0.00 55.95 55.55 1nqo s SER 238 Cb 0.00 0.45 0.05 0.00 0.21 0.00 0.00 66.02 66.73 1nqo s SER 238 CO 0.00 -0.94 0.31 0.54 0.41 0.00 0.00 173.24 173.56 1nqo s VAL 239 N -3.46 -0.03 -0.03 3.43 0.11 -0.26 -1.23 120.40 118.93 1nqo s VAL 239 Ca 0.33 0.10 -0.19 0.00 -2.93 0.00 0.00 61.98 59.29 1nqo s VAL 239 Cb 0.04 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 1nqo s VAL 239 CO 0.19 0.04 0.54 -0.69 -3.33 0.00 0.00 175.10 171.85 1nqo s VAL 240 N 1.07 4.99 -0.33 2.04 1.01 0.10 -1.66 120.40 127.62 1nqo s VAL 240 Ca -0.07 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.05 1nqo s VAL 240 Cb -0.08 -3.87 0.10 0.00 0.00 0.00 0.00 36.38 32.52 1nqo s VAL 240 CO -0.08 0.42 0.06 -0.62 0.00 0.00 0.00 175.10 174.88 1nqo s ASP 241 N -0.15 4.55 -0.17 3.32 2.15 -0.28 -0.63 116.67 125.47 1nqo s ASP 241 Ca 0.29 -1.99 -0.06 0.00 0.43 0.00 0.00 52.55 51.22 1nqo s ASP 241 Cb -0.17 -1.42 -0.04 0.00 -0.30 0.00 0.00 42.92 40.99 1nqo s ASP 241 CO 0.15 -0.38 0.04 -0.22 -0.17 0.00 0.00 175.17 174.59 1nqo s LEU 242 N 1.10 3.71 -0.21 -1.34 2.96 -0.14 -1.58 118.68 123.18 1nqo s LEU 242 Ca 0.10 0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1nqo s LEU 242 Cb -0.19 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.60 1nqo s LEU 242 CO -0.12 0.20 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.29 1nqo s VAL 243 N 0.20 2.53 0.03 1.68 1.01 -0.22 -1.14 120.40 124.49 1nqo s VAL 243 Ca 0.03 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1nqo s VAL 243 Cb -0.13 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1nqo s VAL 243 CO 0.01 0.40 -0.07 0.00 0.00 0.00 0.00 175.10 175.44 1nqo s ALA 244 N 1.33 0.48 -0.26 5.51 0.00 -0.27 -0.62 121.76 127.93 1nqo s ALA 244 Ca 0.03 -0.67 -0.15 0.00 0.00 0.00 0.00 51.96 51.17 1nqo s ALA 244 Cb -0.15 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1nqo s ALA 244 CO -0.08 -0.03 0.39 -1.21 0.00 0.00 0.00 175.76 174.83 1nqo s GLU 245 N -1.38 4.04 0.28 0.00 0.41 0.29 -1.00 118.70 121.34 1nqo s GLU 245 Ca -0.09 0.09 0.06 0.00 -0.41 0.00 0.00 54.97 54.62 1nqo s GLU 245 Cb -0.09 -3.64 -0.02 0.00 -1.78 0.00 0.00 34.13 28.59 1nqo s GLU 245 CO 0.00 -0.26 0.35 -0.51 -0.49 0.00 0.00 175.26 174.35 1nqo s LEU 246 N 2.01 4.01 -0.14 1.80 1.02 0.33 -0.01 118.68 127.71 1nqo s LEU 246 Ca 0.16 -0.15 -0.17 0.00 0.02 0.00 0.00 54.13 53.99 1nqo s LEU 246 Cb -0.16 -2.63 -0.15 0.00 0.02 0.00 0.00 46.19 43.28 1nqo s LEU 246 CO 0.09 -0.21 0.35 -0.33 0.02 0.00 0.00 176.35 176.28 1nqo h GLU 247 N 1.17 0.00 -6.85 1.70 5.08 -0.91 -3.45 114.58 111.32 1nqo h GLU 247 Ca -0.48 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.37 1nqo h GLU 247 Cb 1.24 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.52 1nqo h GLU 247 CO 0.58 0.61 0.47 0.21 -1.00 0.00 0.00 179.01 179.88 1nqo s LYS 248 N -2.06 4.48 -0.07 2.33 2.20 -0.90 -4.99 119.74 120.72 1nqo s LYS 248 Ca -0.15 1.77 -0.30 0.00 -0.36 0.00 0.00 55.97 56.93 1nqo s LYS 248 Cb -0.00 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 1nqo s LYS 248 CO 0.43 0.08 1.07 -2.00 -0.36 0.00 0.00 175.35 174.56 1nqo s GLU 249 N -1.74 4.42 0.28 4.03 2.12 -1.26 -4.78 118.70 121.76 1nqo s GLU 249 Ca 0.48 1.49 0.02 0.00 0.36 0.00 0.00 54.97 57.33 1nqo s GLU 249 Cb -0.30 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 1nqo s GLU 249 CO 0.39 -0.33 0.13 0.14 -0.54 0.00 0.00 175.26 175.05 1nqo s VAL 250 N 1.93 0.40 0.34 3.70 -7.23 0.23 -5.03 120.40 114.74 1nqo s VAL 250 Ca 0.51 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.78 1nqo s VAL 250 Cb -0.21 -2.56 -0.06 0.00 0.56 0.00 0.00 36.38 34.11 1nqo s VAL 250 CO 0.21 0.00 -0.04 0.42 -0.31 0.00 0.00 175.10 175.38 1nqo s THR 251 N -3.70 2.49 0.20 5.32 -4.23 -1.26 -4.25 115.64 110.20 1nqo s THR 251 Ca 0.37 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.70 1nqo s THR 251 Cb 0.06 -2.72 0.12 0.00 1.34 0.00 0.00 72.50 71.30 1nqo s THR 251 CO 0.15 -0.21 1.80 0.58 -0.54 0.00 0.00 174.62 176.40 1nqo h VAL 252 N 1.91 0.95 -0.93 2.29 2.07 -1.93 -1.88 116.25 118.72 1nqo h VAL 252 Ca -0.42 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1nqo h VAL 252 Cb 1.25 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 1nqo h VAL 252 CO 0.68 0.11 0.59 -0.33 0.02 0.00 0.00 177.57 178.64 1nqo h GLU 253 N 0.60 1.03 0.28 1.57 3.07 -1.97 -1.17 114.58 118.00 1nqo h GLU 253 Ca 0.27 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 1nqo h GLU 253 Cb 0.18 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1nqo h GLU 253 CO -0.18 0.68 -0.14 0.93 -1.40 0.00 0.00 179.01 178.91 1nqo h GLU 254 N 1.06 -0.37 -0.44 2.33 5.08 -1.77 0.69 114.58 121.17 1nqo h GLU 254 Ca 0.41 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.86 1nqo h GLU 254 Cb 0.19 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 1nqo h GLU 254 CO -0.18 -0.15 0.09 0.28 -1.00 0.00 0.00 179.01 178.05 1nqo h VAL 255 N -0.52 0.77 -0.52 3.13 2.07 -1.07 -0.84 116.25 119.28 1nqo h VAL 255 Ca -0.04 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 1nqo h VAL 255 Cb 0.38 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1nqo h VAL 255 CO 0.06 0.04 -0.12 0.78 0.02 0.00 0.00 177.57 178.35 1nqo h ASN 256 N 0.22 0.99 -0.81 0.57 2.35 -1.16 -2.28 115.58 115.46 1nqo h ASN 256 Ca 0.22 -0.33 0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1nqo h ASN 256 Cb 0.27 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1nqo h ASN 256 CO -0.28 1.11 0.51 0.00 -1.65 0.00 0.00 177.43 177.12 1nqo h ALA 257 N 0.98 1.07 -0.27 -0.83 0.00 -0.14 0.91 119.26 120.98 1nqo h ALA 257 Ca 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1nqo h ALA 257 Cb 0.68 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1nqo h ALA 257 CO 0.05 0.30 0.02 0.00 0.00 0.00 0.00 179.25 179.62 1nqo h ALA 258 N 1.35 0.36 -0.40 0.00 0.00 -1.00 -0.85 119.26 118.73 1nqo h ALA 258 Ca 0.33 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1nqo h ALA 258 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1nqo h ALA 258 CO -0.13 0.08 0.19 -0.07 0.00 0.00 0.00 179.25 179.32 1nqo h LEU 259 N 0.26 0.53 -0.65 0.00 3.38 -1.00 -1.18 115.31 116.65 1nqo h LEU 259 Ca 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nqo h LEU 259 Cb 0.39 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1nqo h LEU 259 CO 0.01 0.51 0.36 0.50 0.09 0.00 0.00 178.44 179.91 1nqo h LYS 260 N 0.51 0.90 -0.41 1.13 3.64 -0.76 -0.50 116.57 121.07 1nqo h LYS 260 Ca 0.14 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1nqo h LYS 260 Cb 0.13 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1nqo h LYS 260 CO -0.02 0.67 0.24 0.00 -2.27 0.00 0.00 179.45 178.07 1nqo h ALA 261 N 1.18 0.52 -0.55 5.00 0.00 -0.82 -1.20 119.26 123.39 1nqo h ALA 261 Ca 0.23 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1nqo h ALA 261 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1nqo h ALA 261 CO -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.09 1nqo h ALA 262 N 1.19 0.92 -0.64 0.00 0.00 -0.90 0.53 119.26 120.37 1nqo h ALA 262 Ca 0.17 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1nqo h ALA 262 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1nqo h ALA 262 CO -0.09 0.64 0.14 0.00 0.00 0.00 0.00 179.25 179.95 1nqo h ALA 263 N 1.09 1.05 -0.01 0.00 0.00 -0.69 0.90 119.26 121.60 1nqo h ALA 263 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nqo h ALA 263 Cb 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nqo h ALA 263 CO 0.03 0.62 -0.22 0.39 0.00 0.00 0.00 179.25 180.07 1nqo n GLU 264 N -4.24 0.87 0.00 0.00 1.02 -0.49 -2.82 120.64 114.97 1nqo n GLU 264 Ca 0.05 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.70 1nqo n GLU 264 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1nqo n GLU 264 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nqo n GLY 265 N 1.32 1.17 0.30 0.62 0.00 0.16 -4.80 105.19 103.96 1nqo n GLY 265 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1nqo n GLY 265 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nqo h GLU 266 N 0.00 0.05 -0.56 1.61 4.11 -1.76 -2.65 114.58 115.38 1nqo h GLU 266 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1nqo h GLU 266 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1nqo h GLU 266 CO 0.00 0.03 0.00 1.28 0.07 0.00 0.00 179.01 180.39 1nqo n LEU 267 N -4.49 4.53 -4.64 3.06 4.77 0.25 -5.00 117.00 115.48 1nqo n LEU 267 Ca 0.01 -2.52 -0.46 0.00 -0.03 0.00 0.00 56.01 53.01 1nqo n LEU 267 Cb 0.23 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1nqo n LEU 267 CO 0.35 0.77 0.93 1.17 -1.33 0.00 0.00 177.39 179.28 1nqo n LYS 268 N 0.80 1.75 0.00 3.23 4.81 -1.00 -0.30 118.16 127.44 1nqo n LYS 268 Ca 0.24 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1nqo n LYS 268 Cb 0.87 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.68 1nqo n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nqo n GLY 269 N 2.19 3.09 0.37 3.14 0.00 -1.26 -4.74 105.19 107.98 1nqo n GLY 269 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1nqo n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nqo n ILE 270 N -1.51 1.17 -4.52 -0.61 2.08 0.59 -4.40 119.36 112.16 1nqo n ILE 270 Ca 0.00 -0.20 -0.34 0.00 0.56 0.00 0.00 62.75 62.77 1nqo n ILE 270 Cb 0.00 -1.84 -0.12 0.00 -0.75 0.00 0.00 39.64 36.94 1nqo n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1nqo s LEU 271 N -7.20 3.23 0.36 1.39 2.96 0.38 -0.93 118.68 118.88 1nqo s LEU 271 Ca -0.27 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 1nqo s LEU 271 Cb 0.10 -1.74 -0.07 0.00 0.50 0.00 0.00 46.19 44.98 1nqo s LEU 271 CO 0.35 0.28 -0.05 0.00 -1.32 0.00 0.00 176.35 175.60 1nqo s ALA 272 N -0.29 2.99 -0.04 5.97 0.00 0.43 -4.48 121.76 126.35 1nqo s ALA 272 Ca 0.05 -2.16 -0.01 0.00 0.00 0.00 0.00 51.96 49.83 1nqo s ALA 272 Cb -0.13 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1nqo s ALA 272 CO 0.02 -0.00 0.04 -0.47 0.00 0.00 0.00 175.76 175.35 1nqo s TYR 273 N -2.68 0.15 -0.04 0.00 5.04 -1.26 -0.36 117.35 118.19 1nqo s TYR 273 Ca 0.33 0.16 0.04 0.00 -2.44 0.00 0.00 57.07 55.16 1nqo s TYR 273 Cb 0.05 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.91 1nqo s TYR 273 CO 0.17 -0.18 -0.15 0.45 -1.34 0.00 0.00 175.55 174.50 1nqo s SER 274 N 1.78 1.92 -0.15 4.32 0.15 0.12 -4.90 113.70 116.95 1nqo s SER 274 Ca 0.00 -0.31 0.15 0.00 0.70 0.00 0.00 55.95 56.49 1nqo s SER 274 Cb -0.12 -0.58 0.52 0.00 -1.71 0.00 0.00 66.02 64.13 1nqo s SER 274 CO -0.03 0.12 1.43 -0.62 1.20 0.00 0.00 173.24 175.33 1nqo n GLU 275 N 3.26 3.11 -3.62 5.44 1.02 -1.26 -1.33 120.64 127.26 1nqo n GLU 275 Ca -0.19 -2.72 -0.37 0.00 -0.02 0.00 0.00 57.16 53.86 1nqo n GLU 275 Cb 0.53 -1.77 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 1nqo n GLU 275 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1nqo s GLU 276 N -2.43 3.75 -1.30 3.49 0.41 -1.26 -4.81 118.70 116.56 1nqo s GLU 276 Ca 0.40 0.21 -0.16 0.00 -0.41 0.00 0.00 54.97 55.00 1nqo s GLU 276 Cb 0.30 -3.16 0.10 0.00 -1.78 0.00 0.00 34.13 29.59 1nqo s GLU 276 CO 0.11 0.69 1.73 -0.35 -0.49 0.00 0.00 175.26 176.95 1nqo n PRO 277 N 1.64 3.22 -3.00 0.39 -0.04 -1.26 -4.89 135.00 131.07 1nqo n PRO 277 Ca -0.14 -3.36 -0.19 0.00 -0.04 0.00 0.00 63.50 59.77 1nqo n PRO 277 Cb 0.53 -3.34 0.05 0.00 -0.04 0.00 0.00 33.50 30.70 1nqo n PRO 277 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nqo s LEU 278 N 3.19 3.24 0.30 1.53 1.43 -1.26 -5.14 118.68 121.97 1nqo s LEU 278 Ca 0.50 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1nqo s LEU 278 Cb 0.04 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 1nqo s LEU 278 CO 0.04 -1.22 0.03 0.68 0.23 0.00 0.00 176.35 176.11 1nqo s VAL 279 N -2.62 1.21 0.25 -1.59 -7.23 -1.26 -5.06 120.40 104.11 1nqo s VAL 279 Ca 0.60 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1nqo s VAL 279 Cb -0.07 -2.67 0.23 0.00 0.56 0.00 0.00 36.38 34.43 1nqo s VAL 279 CO 0.38 -0.09 1.70 0.77 -0.31 0.00 0.00 175.10 177.54 1nqo h SER 280 N 2.20 0.14 -0.47 4.85 4.64 -1.97 -0.88 113.55 122.07 1nqo h SER 280 Ca -0.40 0.13 0.14 0.00 -0.47 0.00 0.00 61.79 61.19 1nqo h SER 280 Cb 1.24 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 1nqo h SER 280 CO 0.68 0.01 0.35 0.03 -0.87 0.00 0.00 176.83 177.03 1nqo h ARG 281 N 0.34 0.00 0.00 4.77 2.47 -1.97 -0.20 114.38 119.79 1nqo h ARG 281 Ca 0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 1nqo h ARG 281 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1nqo h ARG 281 CO -0.48 0.00 0.00 -0.44 0.56 0.00 0.00 179.97 179.61 1nqo h ASP 282 N 0.00 0.00 -0.03 7.04 3.32 -1.57 -2.85 116.42 122.33 1nqo h ASP 282 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1nqo h ASP 282 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1nqo h ASP 282 CO -0.00 0.00 -0.01 -1.22 -1.72 0.00 0.00 179.24 176.29 1nqo n TYR 283 N -2.72 0.00 -1.80 4.55 4.01 -0.09 -4.90 117.16 116.21 1nqo n TYR 283 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1nqo n TYR 283 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 1nqo n TYR 283 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1nqo s ASN 284 N -1.92 6.53 0.00 7.72 2.47 -1.08 -0.81 114.94 127.85 1nqo s ASN 284 Ca 0.27 2.52 0.00 0.00 0.42 0.00 0.00 52.86 56.06 1nqo s ASN 284 Cb 0.19 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1nqo s ASN 284 CO 0.29 -1.00 0.00 0.61 -3.72 0.00 0.00 177.10 173.28 1nqo n GLY 285 N 4.35 0.27 3.72 1.21 0.00 -1.26 -5.05 105.19 108.43 1nqo n GLY 285 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1nqo n GLY 285 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqo s SER 286 N -2.14 6.39 0.00 1.61 0.15 0.01 -4.90 113.70 114.82 1nqo s SER 286 Ca 0.00 2.86 0.24 0.00 0.70 0.00 0.00 55.95 59.74 1nqo s SER 286 Cb 0.00 -2.60 0.24 0.00 -1.71 0.00 0.00 66.02 61.95 1nqo s SER 286 CO 0.00 -0.96 1.24 0.35 1.20 0.00 0.00 173.24 175.06 1nqo n THR 287 N 3.91 0.00 -1.95 6.45 -2.24 -1.26 -2.94 114.28 116.25 1nqo n THR 287 Ca 0.15 -0.10 -0.29 0.00 -2.27 0.00 0.00 64.05 61.55 1nqo n THR 287 Cb 0.35 0.75 0.08 0.00 -2.10 0.00 0.00 70.33 69.41 1nqo n THR 287 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1nqo s VAL 288 N -2.74 2.15 -0.17 2.28 -7.23 -1.26 -4.55 120.40 108.89 1nqo s VAL 288 Ca 0.16 -0.01 0.20 0.00 -1.81 0.00 0.00 61.98 60.51 1nqo s VAL 288 Cb 0.18 -3.03 -0.08 0.00 0.56 0.00 0.00 36.38 34.00 1nqo s VAL 288 CO 0.66 -0.04 0.90 -1.20 -0.31 0.00 0.00 175.10 175.11 1nqo n SER 289 N -3.23 0.81 -3.64 4.85 7.64 -0.10 -4.33 113.62 115.62 1nqo n SER 289 Ca 0.08 0.33 -0.05 0.00 1.01 0.00 0.00 58.87 60.24 1nqo n SER 289 Cb 0.61 0.38 -0.06 0.00 -1.01 0.00 0.00 64.21 64.12 1nqo n SER 289 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1nqo s SER 290 N -5.53 -0.96 -0.19 6.43 0.15 -0.77 -3.75 113.70 109.09 1nqo s SER 290 Ca -0.02 1.48 0.01 0.00 0.70 0.00 0.00 55.95 58.12 1nqo s SER 290 Cb 0.09 1.57 0.03 0.00 -1.71 0.00 0.00 66.02 66.01 1nqo s SER 290 CO 0.81 -0.23 -0.16 -0.89 1.20 0.00 0.00 173.24 173.96 1nqo s THR 291 N 1.90 1.92 0.12 6.45 2.01 -0.58 0.16 115.64 127.62 1nqo s THR 291 Ca -0.09 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 60.62 1nqo s THR 291 Cb -0.06 -1.82 -0.07 0.00 0.01 0.00 0.00 72.50 70.55 1nqo s THR 291 CO -0.19 0.40 1.29 -0.63 -0.69 0.00 0.00 174.62 174.79 1nqo s ILE 292 N 1.32 3.57 -1.09 1.82 -1.09 0.51 0.05 121.20 126.28 1nqo s ILE 292 Ca 0.02 1.17 -0.12 0.00 -2.23 0.00 0.00 60.65 59.49 1nqo s ILE 292 Cb -0.14 -3.75 0.22 0.00 -1.58 0.00 0.00 42.46 37.21 1nqo s ILE 292 CO -0.11 0.12 1.17 -0.62 -1.23 0.00 0.00 174.94 174.27 1nqo s ASP 293 N 0.85 7.11 0.42 3.58 -1.08 0.06 -0.71 116.67 126.91 1nqo s ASP 293 Ca 0.60 -3.15 0.20 0.00 -0.52 0.00 0.00 52.55 49.68 1nqo s ASP 293 Cb -0.34 -2.29 1.14 0.00 -1.46 0.00 0.00 42.92 39.98 1nqo s ASP 293 CO 0.32 -0.54 1.81 0.00 0.52 0.00 0.00 175.17 177.28 1nqo h ALA 294 N 7.16 2.31 0.00 3.66 0.00 -1.48 -0.85 119.26 130.06 1nqo h ALA 294 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1nqo h ALA 294 Cb 0.91 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1nqo h ALA 294 CO 1.06 -0.66 -0.07 -0.07 0.00 0.00 0.00 179.25 179.51 1nqo h LEU 295 N 0.36 0.00 -0.07 0.00 3.38 -1.88 -2.17 115.31 114.93 1nqo h LEU 295 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1nqo h LEU 295 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1nqo h LEU 295 CO -0.21 0.07 -0.33 -1.20 0.09 0.00 0.00 178.44 176.86 1nqo n SER 296 N -3.55 0.44 -4.68 -0.43 7.64 -0.33 -4.91 113.62 107.80 1nqo n SER 296 Ca -0.02 -0.18 -0.45 0.00 1.01 0.00 0.00 58.87 59.22 1nqo n SER 296 Cb 0.20 0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 1nqo n SER 296 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nqo n THR 297 N -1.36 0.11 -4.22 0.44 -1.04 -0.82 -4.78 114.28 102.60 1nqo n THR 297 Ca 0.07 -0.02 -0.16 0.00 -2.04 0.00 0.00 64.05 61.90 1nqo n THR 297 Cb 0.33 -1.72 -0.14 0.00 -1.82 0.00 0.00 70.33 66.98 1nqo n THR 297 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1nqo s MET 298 N 1.54 0.58 -0.01 -2.82 1.75 -0.80 -4.97 119.30 114.57 1nqo s MET 298 Ca 0.80 -0.38 0.01 0.00 -1.25 0.00 0.00 55.69 54.87 1nqo s MET 298 Cb -0.63 -0.52 0.00 0.00 2.84 0.00 0.00 34.83 36.52 1nqo s MET 298 CO 0.38 0.14 -0.03 0.08 -0.65 0.00 0.00 175.02 174.94 1nqo s VAL 299 N -0.44 0.23 -0.04 10.11 1.01 -1.26 -0.27 120.40 129.74 1nqo s VAL 299 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1nqo s VAL 299 Cb -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 1nqo s VAL 299 CO -0.00 0.08 -0.15 -0.63 0.00 0.00 0.00 175.10 174.39 1nqo s ILE 300 N 0.06 1.27 -0.87 2.22 1.01 0.30 -4.70 121.20 120.49 1nqo s ILE 300 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1nqo s ILE 300 Cb -0.03 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1nqo s ILE 300 CO -0.00 0.37 0.00 0.47 0.00 0.00 0.00 174.94 175.78 1nqo n ASP 301 N 3.21 -3.73 -0.71 3.58 8.00 -1.26 -0.87 116.55 124.77 1nqo n ASP 301 Ca -0.18 0.20 -0.09 0.00 0.71 0.00 0.00 54.79 55.43 1nqo n ASP 301 Cb 0.53 -2.99 -0.04 0.00 -0.02 0.00 0.00 41.12 38.60 1nqo n ASP 301 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nqo n GLY 302 N 0.11 0.93 0.00 0.44 0.00 -1.26 -4.75 105.19 100.66 1nqo n GLY 302 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1nqo n GLY 302 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nqo n LYS 303 N -0.98 2.33 -3.91 1.61 4.76 -0.05 -0.60 118.16 121.31 1nqo n LYS 303 Ca -0.09 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.00 1nqo n LYS 303 Cb 0.52 -0.89 -0.10 0.00 -1.84 0.00 0.00 35.03 32.72 1nqo n LYS 303 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1nqo s MET 304 N -1.77 3.92 0.17 1.97 1.75 -0.68 -0.51 119.30 124.14 1nqo s MET 304 Ca 0.00 -0.36 0.09 0.00 -1.25 0.00 0.00 55.69 54.16 1nqo s MET 304 Cb 0.00 -3.28 -0.04 0.00 2.84 0.00 0.00 34.83 34.34 1nqo s MET 304 CO 0.00 0.14 -0.19 0.54 -0.65 0.00 0.00 175.02 174.87 1nqo s VAL 305 N 0.74 1.86 -0.10 10.11 0.11 -0.17 -0.54 120.40 132.41 1nqo s VAL 305 Ca 0.04 -1.92 0.02 0.00 -2.93 0.00 0.00 61.98 57.19 1nqo s VAL 305 Cb -0.13 -1.86 0.01 0.00 -1.53 0.00 0.00 36.38 32.87 1nqo s VAL 305 CO 0.02 -0.29 -0.15 -0.75 -3.33 0.00 0.00 175.10 170.59 1nqo s LYS 306 N -2.76 2.15 -0.07 1.54 2.20 0.63 -1.11 119.74 122.32 1nqo s LYS 306 Ca 0.16 -0.55 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 1nqo s LYS 306 Cb -0.06 -1.80 0.01 0.00 -1.51 0.00 0.00 37.83 34.47 1nqo s LYS 306 CO 0.07 -0.02 -0.15 0.08 -0.36 0.00 0.00 175.35 174.97 1nqo s VAL 307 N 0.85 1.31 -0.11 4.02 1.01 -0.29 -1.91 120.40 125.29 1nqo s VAL 307 Ca -0.10 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1nqo s VAL 307 Cb -0.15 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1nqo s VAL 307 CO 0.01 0.39 -0.15 -0.69 0.00 0.00 0.00 175.10 174.66 1nqo s VAL 308 N 0.55 2.91 -0.03 2.92 1.01 -1.26 -0.97 120.40 125.54 1nqo s VAL 308 Ca -0.14 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1nqo s VAL 308 Cb -0.16 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1nqo s VAL 308 CO 0.04 0.54 -0.04 -0.55 0.00 0.00 0.00 175.10 175.10 1nqo s SER 309 N 0.09 0.76 0.37 3.32 0.15 0.20 -0.76 113.70 117.83 1nqo s SER 309 Ca -0.07 -0.10 -0.12 0.00 0.70 0.00 0.00 55.95 56.36 1nqo s SER 309 Cb -0.15 -0.29 -0.07 0.00 -1.71 0.00 0.00 66.02 63.80 1nqo s SER 309 CO 0.05 -0.02 0.74 0.26 1.20 0.00 0.00 173.24 175.47 1nqo s TRP 310 N 0.59 3.44 -0.29 3.44 0.52 0.11 0.03 118.94 126.77 1nqo s TRP 310 Ca -0.07 1.08 -0.15 0.00 0.02 0.00 0.00 56.10 56.98 1nqo s TRP 310 Cb -0.11 -2.45 0.11 0.00 -1.15 0.00 0.00 33.47 29.87 1nqo s TRP 310 CO -0.00 -0.02 0.77 1.52 0.02 0.00 0.00 176.95 179.24 1nqo s TYR 311 N -2.21 -0.98 -0.68 -1.98 1.13 -0.37 -1.52 117.35 110.75 1nqo s TYR 311 Ca 0.52 1.88 -0.27 0.00 -1.41 0.00 0.00 57.07 57.78 1nqo s TYR 311 Cb -0.10 0.58 0.03 0.00 -1.10 0.00 0.00 41.96 41.37 1nqo s TYR 311 CO 0.26 -0.48 1.26 0.34 -2.51 0.00 0.00 175.55 174.42 1nqo s ASP 312 N 1.84 6.25 0.55 -0.18 -1.08 -1.26 -0.20 116.67 122.58 1nqo s ASP 312 Ca -0.09 -0.23 0.24 0.00 -0.52 0.00 0.00 52.55 51.95 1nqo s ASP 312 Cb -0.06 -2.56 1.46 0.00 -1.46 0.00 0.00 42.92 40.30 1nqo s ASP 312 CO -0.18 -1.72 2.08 -0.55 0.52 0.00 0.00 175.17 175.32 1nqo h ASN 313 N 9.95 0.00 0.00 -0.34 -1.07 -1.91 -1.52 115.58 120.69 1nqo h ASN 313 Ca -0.27 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.00 1nqo h ASN 313 Cb 1.05 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.29 1nqo h ASN 313 CO 1.24 0.00 -0.68 -0.33 0.07 0.00 0.00 177.43 177.73 1nqo h GLU 314 N 0.00 0.00 0.27 4.14 5.08 -1.95 -3.38 114.58 118.74 1nqo h GLU 314 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1nqo h GLU 314 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nqo h GLU 314 CO -0.00 0.64 -0.13 1.15 -1.00 0.00 0.00 179.01 179.67 1nqo h THR 315 N -1.00 0.76 -0.08 1.13 2.02 -1.81 -2.45 112.91 111.47 1nqo h THR 315 Ca -0.15 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 66.46 1nqo h THR 315 Cb 0.90 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 1nqo h THR 315 CO -0.09 0.12 -0.31 1.23 0.37 0.00 0.00 175.52 176.84 1nqo h GLY 316 N -0.71 -0.44 0.96 2.16 0.00 -1.15 -0.73 103.07 103.16 1nqo h GLY 316 Ca -0.04 0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.68 1nqo h GLY 316 CO 0.06 -0.22 0.61 -1.82 0.00 0.00 0.00 176.54 175.17 1nqo h TYR 317 N -0.41 1.16 -0.53 5.60 3.20 -1.73 -1.08 116.97 123.17 1nqo h TYR 317 Ca 0.08 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1nqo h TYR 317 Cb 0.53 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1nqo h TYR 317 CO -0.37 0.71 0.08 0.77 -1.64 0.00 0.00 178.16 177.71 1nqo h SER 318 N 1.23 0.80 -0.03 -2.11 0.02 -0.97 0.16 113.55 112.65 1nqo h SER 318 Ca 0.35 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.99 1nqo h SER 318 Cb -0.10 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 1nqo h SER 318 CO -0.09 0.82 -0.44 0.45 -1.14 0.00 0.00 176.83 176.43 1nqo h HIS 319 N 0.81 0.68 -0.45 3.45 3.86 -0.53 -2.28 115.15 120.68 1nqo h HIS 319 Ca 0.17 -0.21 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 1nqo h HIS 319 Cb 0.37 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1nqo h HIS 319 CO 0.02 0.91 0.02 0.00 0.86 0.00 0.00 177.93 179.74 1nqo h ARG 320 N 0.46 0.73 -0.64 2.45 2.47 -0.60 -0.72 114.38 118.52 1nqo h ARG 320 Ca 0.03 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 1nqo h ARG 320 Cb 0.95 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.15 1nqo h ARG 320 CO 0.08 0.72 0.34 0.28 0.56 0.00 0.00 179.97 181.96 1nqo h VAL 321 N 0.69 1.21 -0.44 2.04 2.07 -0.27 0.16 116.25 121.70 1nqo h VAL 321 Ca 0.14 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1nqo h VAL 321 Cb 0.39 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1nqo h VAL 321 CO 0.01 0.23 -0.05 0.58 0.02 0.00 0.00 177.57 178.37 1nqo h VAL 322 N 0.88 1.27 -0.61 2.57 2.07 -0.93 -1.43 116.25 120.07 1nqo h VAL 322 Ca 0.23 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.68 1nqo h VAL 322 Cb 0.06 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1nqo h VAL 322 CO -0.03 0.38 0.33 0.44 0.02 0.00 0.00 177.57 178.71 1nqo h ASP 323 N 0.65 0.48 -0.68 0.57 3.32 -0.71 -1.07 116.42 118.97 1nqo h ASP 323 Ca 0.12 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 1nqo h ASP 323 Cb 0.56 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1nqo h ASP 323 CO 0.03 0.31 0.21 0.25 -1.72 0.00 0.00 179.24 178.33 1nqo h LEU 324 N 0.61 1.00 -0.42 1.55 5.85 -0.77 0.31 115.31 123.45 1nqo h LEU 324 Ca 0.27 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1nqo h LEU 324 Cb 0.17 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1nqo h LEU 324 CO -0.18 0.94 0.16 0.00 -0.34 0.00 0.00 178.44 179.02 1nqo h ALA 325 N 1.19 0.54 -0.54 1.25 0.00 -0.54 0.60 119.26 121.77 1nqo h ALA 325 Ca 0.23 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1nqo h ALA 325 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1nqo h ALA 325 CO -0.01 0.16 0.11 0.00 0.00 0.00 0.00 179.25 179.51 1nqo h ALA 326 N 1.01 0.72 0.24 0.00 0.00 -0.99 -1.18 119.26 119.06 1nqo h ALA 326 Ca 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nqo h ALA 326 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nqo h ALA 326 CO -0.01 0.43 -0.18 -0.92 0.00 0.00 0.00 179.25 178.57 1nqo h TYR 327 N 0.77 -0.48 -0.30 0.00 3.20 -0.65 -1.18 116.97 118.33 1nqo h TYR 327 Ca 0.17 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.09 1nqo h TYR 327 Cb 0.37 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 1nqo h TYR 327 CO 0.03 -0.28 -0.01 0.82 -1.64 0.00 0.00 178.16 177.08 1nqo h ILE 328 N -0.43 0.77 -0.48 1.81 2.04 -0.77 -2.22 117.51 118.23 1nqo h ILE 328 Ca -0.02 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1nqo h ILE 328 Cb 0.38 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1nqo h ILE 328 CO -0.01 0.01 0.12 0.00 0.00 0.00 0.00 178.15 178.28 1nqo h ALA 329 N 1.26 0.55 0.00 1.87 0.00 -0.96 -0.77 119.26 121.22 1nqo h ALA 329 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1nqo h ALA 329 Cb 0.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nqo h ALA 329 CO -0.25 -0.28 0.00 0.66 0.00 0.00 0.00 179.25 179.38 1nqo h SER 330 N 0.27 0.00 0.31 0.00 4.64 -0.61 0.89 113.55 119.05 1nqo h SER 330 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1nqo h SER 330 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1nqo h SER 330 CO -0.28 0.00 -0.19 0.29 -0.87 0.00 0.00 176.83 175.77 1nqo n LYS 331 N -2.58 0.73 0.00 4.77 4.01 -0.30 -5.03 118.16 119.77 1nqo n LYS 331 Ca -0.02 -0.35 0.00 0.00 -0.51 0.00 0.00 58.31 57.43 1nqo n LYS 331 Cb 0.08 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 1nqo n LYS 331 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nqo n GLY 332 N 1.32 0.48 0.21 0.72 0.00 0.31 -4.88 105.19 103.36 1nqo n GLY 332 Ca 0.13 -1.34 0.03 0.00 0.00 0.00 0.00 46.02 44.84 1nqo n GLY 332 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36