#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qir n PHE 6 N 0.00 0.30 -0.29 1.12 3.72 -1.26 -4.62 117.46 116.43 1qir n PHE 6 Ca 0.00 -0.15 0.04 0.00 -0.05 0.00 0.00 57.45 57.29 1qir n PHE 6 Cb 0.00 -0.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.73 1qir n PHE 6 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1qir h GLU 7 N 4.58 0.71 -0.65 -1.08 3.07 -2.12 -2.54 114.58 116.55 1qir h GLU 7 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1qir h GLU 7 Cb 1.00 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1qir h GLU 7 CO 0.00 0.47 0.00 0.09 -1.40 0.00 0.00 179.01 178.17 1qir n ASN 8 N -4.79 4.89 -4.70 1.42 3.02 -1.26 -4.95 115.26 108.90 1qir n ASN 8 Ca 0.15 -2.53 -0.42 0.00 -0.03 0.00 0.00 54.58 51.75 1qir n ASN 8 Cb 0.33 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 1qir n ASN 8 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qir s ILE 9 N -2.01 4.08 0.45 2.41 1.01 -0.96 -4.99 121.20 121.19 1qir s ILE 9 Ca 0.51 1.45 -0.09 0.00 0.00 0.00 0.00 60.65 62.52 1qir s ILE 9 Cb 0.34 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 1qir s ILE 9 CO 0.23 0.05 0.81 0.42 0.00 0.00 0.00 174.94 176.44 1qir s THR 10 N 1.77 4.81 0.16 2.92 -4.23 -1.26 -5.03 115.64 114.78 1qir s THR 10 Ca 0.58 0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 61.32 1qir s THR 10 Cb -0.28 -3.79 -0.08 0.00 1.34 0.00 0.00 72.50 69.70 1qir s THR 10 CO 0.26 -0.69 1.29 0.00 -0.54 0.00 0.00 174.62 174.93 1qir s ALA 11 N -2.57 3.50 0.53 3.99 0.00 -1.26 -5.01 121.76 120.94 1qir s ALA 11 Ca 0.51 1.04 -0.20 0.00 0.00 0.00 0.00 51.96 53.31 1qir s ALA 11 Cb -0.10 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 1qir s ALA 11 CO 0.38 -0.50 1.11 0.00 0.00 0.00 0.00 175.76 176.75 1qir s ALA 12 N 0.38 2.73 0.32 0.00 0.00 -1.26 -5.00 121.76 118.94 1qir s ALA 12 Ca 0.58 0.79 -0.28 0.00 0.00 0.00 0.00 51.96 53.04 1qir s ALA 12 Cb -0.35 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.34 1qir s ALA 12 CO 0.35 -0.68 1.11 -1.25 0.00 0.00 0.00 175.76 175.29 1qir s PRO 13 N -3.26 4.47 0.53 0.00 0.04 -1.26 -4.96 135.00 130.56 1qir s PRO 13 Ca 0.72 1.77 -0.22 0.00 0.04 0.00 0.00 61.00 63.31 1qir s PRO 13 Cb -0.22 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 1qir s PRO 13 CO 0.26 0.07 1.33 0.00 0.04 0.00 0.00 177.00 178.69 1qir s ALA 14 N -1.29 2.84 0.19 8.56 0.00 -1.26 -4.91 121.76 125.90 1qir s ALA 14 Ca 0.49 1.27 -0.32 0.00 0.00 0.00 0.00 51.96 53.40 1qir s ALA 14 Cb -0.30 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.17 1qir s ALA 14 CO 0.39 -1.27 1.64 0.34 0.00 0.00 0.00 175.76 176.86 1qir s ASP 15 N -1.02 6.48 0.52 0.00 -1.08 -1.26 -4.88 116.67 115.42 1qir s ASP 15 Ca 0.70 2.75 0.19 0.00 -0.52 0.00 0.00 52.55 55.68 1qir s ASP 15 Cb -0.39 -2.60 1.29 0.00 -1.46 0.00 0.00 42.92 39.77 1qir s ASP 15 CO 0.46 -0.90 2.08 1.55 0.52 0.00 0.00 175.17 178.88 1qir h PRO 16 N 6.70 0.04 0.00 4.34 0.13 -1.98 -0.62 132.00 140.60 1qir h PRO 16 Ca -0.43 -0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.41 1qir h PRO 16 Cb 1.20 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1qir h PRO 16 CO 0.93 0.02 -1.89 -0.89 -0.23 0.00 0.00 178.00 175.95 1qir n ILE 17 N -4.48 1.52 0.16 -3.56 5.41 -1.26 -4.52 119.36 112.63 1qir n ILE 17 Ca 0.02 -0.17 0.02 0.00 1.00 0.00 0.00 62.75 63.62 1qir n ILE 17 Cb 0.29 -2.05 0.25 0.00 -0.71 0.00 0.00 39.64 37.41 1qir n ILE 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1qir h LEU 18 N -1.00 0.00 -0.07 1.39 3.38 -1.97 -3.09 115.31 113.95 1qir h LEU 18 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1qir h LEU 18 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1qir h LEU 18 CO -0.27 0.51 0.00 0.61 0.09 0.00 0.00 178.44 179.38 1qir n GLY 19 N 0.24 -1.52 0.19 0.83 0.00 -0.24 -2.75 105.19 101.94 1qir n GLY 19 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1qir n GLY 19 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1qir h LEU 20 N 0.00 0.52 -1.22 0.99 5.85 -1.68 -2.87 115.31 116.90 1qir h LEU 20 Ca 0.00 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 1qir h LEU 20 Cb 0.56 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1qir h LEU 20 CO 0.00 1.00 -0.22 0.00 -0.34 0.00 0.00 178.44 178.89 1qir h ALA 21 N 1.00 1.35 -0.25 1.25 0.00 -1.63 -2.13 119.26 118.85 1qir h ALA 21 Ca -0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1qir h ALA 21 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1qir h ALA 21 CO 0.11 0.45 -0.18 -0.44 0.00 0.00 0.00 179.25 179.19 1qir h ASP 22 N 0.25 0.59 -0.47 0.00 3.32 -1.61 -2.27 116.42 116.22 1qir h ASP 22 Ca 0.04 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1qir h ASP 22 Cb 0.53 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1qir h ASP 22 CO 0.04 0.90 0.31 -0.07 -1.72 0.00 0.00 179.24 178.70 1qir h LEU 23 N 0.27 0.54 -1.16 1.55 3.38 -1.31 -0.77 115.31 117.82 1qir h LEU 23 Ca 0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1qir h LEU 23 Cb 0.71 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1qir h LEU 23 CO 0.05 0.39 0.49 0.15 0.09 0.00 0.00 178.44 179.60 1qir h PHE 24 N 0.63 1.02 -0.29 1.13 3.57 -1.37 -2.08 116.94 119.56 1qir h PHE 24 Ca 0.17 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 1qir h PHE 24 Cb -0.07 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.32 1qir h PHE 24 CO -0.04 0.67 -0.17 0.00 -2.23 0.00 0.00 178.31 176.54 1qir h ARG 25 N 1.08 0.63 0.00 1.11 2.47 -0.89 -2.81 114.38 115.97 1qir h ARG 25 Ca 0.28 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1qir h ARG 25 Cb -0.06 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1qir h ARG 25 CO -0.06 0.88 0.00 0.00 0.56 0.00 0.00 179.97 181.35 1qir n ALA 26 N -2.45 1.59 -2.66 0.04 0.00 -0.34 -4.72 120.51 111.96 1qir n ALA 26 Ca -0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1qir n ALA 26 Cb 0.39 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1qir n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qir s ASP 27 N -2.74 7.04 0.00 0.00 -1.08 -0.82 -4.95 116.67 114.11 1qir s ASP 27 Ca 0.08 1.29 0.27 0.00 -0.52 0.00 0.00 52.55 53.68 1qir s ASP 27 Cb 0.07 -2.51 0.92 0.00 -1.46 0.00 0.00 42.92 39.94 1qir s ASP 27 CO 0.17 -0.59 1.67 -0.62 0.52 0.00 0.00 175.17 176.33 1qir n GLU 28 N 6.01 0.58 -2.45 4.34 -0.58 -1.26 -4.94 120.64 122.34 1qir n GLU 28 Ca 0.09 -0.28 -0.37 0.00 -0.42 0.00 0.00 57.16 56.18 1qir n GLU 28 Cb 0.47 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.81 1qir n GLU 28 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1qir s ARG 29 N -2.61 4.11 0.03 3.49 0.52 -1.26 -5.01 118.95 118.22 1qir s ARG 29 Ca 0.23 1.63 -0.21 0.00 -0.52 0.00 0.00 55.73 56.86 1qir s ARG 29 Cb 0.19 -2.59 -0.12 0.00 0.52 0.00 0.00 34.95 32.96 1qir s ARG 29 CO 0.53 -0.22 1.28 -1.35 0.02 0.00 0.00 175.30 175.57 1qir h PRO 30 N 2.54 -0.74 -1.71 3.54 0.11 -2.02 -3.31 132.00 130.41 1qir h PRO 30 Ca -0.48 0.05 -0.27 0.00 0.11 0.00 0.00 66.00 65.40 1qir h PRO 30 Cb 1.22 0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.39 1qir h PRO 30 CO 0.62 -0.49 0.28 0.41 -0.21 0.00 0.00 178.00 178.61 1qir n GLY 31 N -1.28 3.75 3.78 -0.55 0.00 -1.26 -4.95 105.19 104.68 1qir n GLY 31 Ca -0.10 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 1qir n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qir s LYS 32 N -1.27 4.02 -0.06 1.61 0.00 -1.25 -4.87 119.74 117.92 1qir s LYS 32 Ca 0.31 1.65 0.04 0.00 0.00 0.00 0.00 55.97 57.97 1qir s LYS 32 Cb 0.22 -2.53 0.00 0.00 0.00 0.00 0.00 37.83 35.52 1qir s LYS 32 CO -0.03 -0.30 -0.19 0.42 0.00 0.00 0.00 175.35 175.25 1qir s ILE 33 N -1.58 1.59 -0.36 3.79 1.01 0.06 -4.99 121.20 120.71 1qir s ILE 33 Ca 0.59 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1qir s ILE 33 Cb -0.26 -1.38 0.06 0.00 0.01 0.00 0.00 42.46 40.90 1qir s ILE 33 CO 0.32 0.45 0.14 0.21 0.00 0.00 0.00 174.94 176.07 1qir s ASN 34 N 0.22 5.32 -0.23 3.58 3.04 -1.26 -0.06 114.94 125.55 1qir s ASN 34 Ca -0.10 -1.40 0.13 0.00 0.04 0.00 0.00 52.86 51.53 1qir s ASN 34 Cb -0.14 -1.87 0.49 0.00 -1.54 0.00 0.00 41.25 38.19 1qir s ASN 34 CO 0.04 -0.41 1.41 0.18 -3.04 0.00 0.00 177.10 175.29 1qir n LEU 35 N 4.77 3.83 0.00 3.21 4.32 0.71 -4.79 117.00 129.05 1qir n LEU 35 Ca -0.10 -3.40 0.00 0.00 -0.02 0.00 0.00 56.01 52.49 1qir n LEU 35 Cb 0.43 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 1qir n LEU 35 CO 0.33 0.96 0.00 0.61 -1.22 0.00 0.00 177.39 178.07 1qir n GLY 36 N -0.91 1.25 3.75 -0.72 0.00 -0.73 -0.82 105.19 107.01 1qir n GLY 36 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 1qir n GLY 36 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qir s ILE 37 N 0.07 2.03 -1.43 -0.61 1.10 -1.26 -4.60 121.20 116.50 1qir s ILE 37 Ca 0.00 0.02 -0.12 0.00 -0.51 0.00 0.00 60.65 60.04 1qir s ILE 37 Cb 0.00 -3.01 -0.04 0.00 0.15 0.00 0.00 42.46 39.56 1qir s ILE 37 CO 0.00 -0.00 2.52 0.61 -2.11 0.00 0.00 174.94 175.96 1qir n GLY 38 N 0.77 4.07 3.30 1.50 0.00 -1.26 -4.88 105.19 108.69 1qir n GLY 38 Ca 0.12 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 1qir n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qir s VAL 39 N 2.91 2.52 0.40 1.61 1.01 -1.26 -4.97 120.40 122.63 1qir s VAL 39 Ca 0.57 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 1qir s VAL 39 Cb 0.15 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 1qir s VAL 39 CO -0.06 0.55 1.20 -0.47 0.00 0.00 0.00 175.10 176.32 1qir s TYR 40 N 0.24 3.00 -0.01 5.22 5.04 -1.26 -4.52 117.35 125.06 1qir s TYR 40 Ca -0.13 1.52 0.05 0.00 -2.44 0.00 0.00 57.07 56.07 1qir s TYR 40 Cb -0.16 -3.45 -0.01 0.00 0.35 0.00 0.00 41.96 38.68 1qir s TYR 40 CO 0.07 -1.50 -0.15 0.21 -1.34 0.00 0.00 175.55 172.84 1qir s LYS 41 N -2.31 1.19 0.88 4.97 2.20 -0.95 -4.47 119.74 121.27 1qir s LYS 41 Ca 0.57 -0.56 -0.10 0.00 -0.36 0.00 0.00 55.97 55.52 1qir s LYS 41 Cb -0.32 -1.16 0.19 0.00 -1.51 0.00 0.00 37.83 35.02 1qir s LYS 41 CO 0.41 0.32 1.21 0.16 -0.36 0.00 0.00 175.35 177.08 1qir s ASP 42 N -0.44 3.43 0.65 1.43 1.47 -0.03 -4.80 116.67 118.38 1qir s ASP 42 Ca 0.05 -0.13 0.24 0.00 1.18 0.00 0.00 52.55 53.89 1qir s ASP 42 Cb -0.06 0.04 1.28 0.00 -0.34 0.00 0.00 42.92 43.84 1qir s ASP 42 CO -0.00 -2.50 1.72 1.05 0.68 0.00 0.00 175.17 176.11 1qir h GLU 43 N -1.25 0.00 -0.03 2.11 -0.00 -1.92 0.10 114.58 113.58 1qir h GLU 43 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.96 1qir h GLU 43 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 1qir h GLU 43 CO 0.34 0.00 -0.01 0.25 -0.00 0.00 0.00 179.01 179.60 1qir n THR 44 N -2.77 0.00 -1.54 -1.06 -2.24 -1.26 -4.68 114.28 100.73 1qir n THR 44 Ca -0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1qir n THR 44 Cb 0.49 1.49 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 1qir n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qir n GLY 45 N 1.32 0.45 3.72 3.38 0.00 0.02 -5.06 105.19 109.02 1qir n GLY 45 Ca 0.14 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 1qir n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qir s LYS 46 N -3.11 2.47 -0.62 1.61 1.02 -1.26 -4.85 119.74 115.00 1qir s LYS 46 Ca 0.00 -1.39 0.05 0.00 0.02 0.00 0.00 55.97 54.65 1qir s LYS 46 Cb 0.00 -2.26 0.19 0.00 -0.52 0.00 0.00 37.83 35.24 1qir s LYS 46 CO 0.00 0.26 0.53 2.41 -0.92 0.00 0.00 175.35 177.63 1qir n THR 47 N -1.07 1.15 -1.39 2.17 -1.04 -1.26 -0.85 114.28 111.99 1qir n THR 47 Ca -0.05 -4.64 -0.33 0.00 -2.04 0.00 0.00 64.05 56.99 1qir n THR 47 Cb 0.60 -2.06 0.09 0.00 -1.82 0.00 0.00 70.33 67.14 1qir n THR 47 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1qir s PRO 48 N -1.43 2.20 0.07 -2.82 0.04 -1.26 -5.00 135.00 126.80 1qir s PRO 48 Ca 0.31 1.50 -0.25 0.00 0.04 0.00 0.00 61.00 62.60 1qir s PRO 48 Cb 0.03 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 1qir s PRO 48 CO -0.13 -1.74 0.75 0.54 0.04 0.00 0.00 177.00 176.46 1qir s VAL 49 N -2.38 4.66 0.49 -0.36 0.11 -1.26 -5.00 120.40 116.68 1qir s VAL 49 Ca 0.68 1.61 -0.23 0.00 -2.93 0.00 0.00 61.98 61.11 1qir s VAL 49 Cb -0.23 -4.10 -0.07 0.00 -1.53 0.00 0.00 36.38 30.45 1qir s VAL 49 CO 0.48 0.41 1.20 0.18 -3.33 0.00 0.00 175.10 174.04 1qir n LEU 50 N 2.50 4.24 -0.30 2.54 4.77 -1.26 -4.84 117.00 124.64 1qir n LEU 50 Ca -0.04 1.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.90 1qir n LEU 50 Cb 0.50 -1.48 0.10 0.00 -2.33 0.00 0.00 43.42 40.21 1qir n LEU 50 CO 0.46 -0.97 1.13 0.74 -1.33 0.00 0.00 177.39 177.43 1qir h THR 51 N 1.51 1.25 -0.48 -5.08 2.02 -1.97 -0.82 112.91 109.34 1qir h THR 51 Ca -0.48 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 65.96 1qir h THR 51 Cb 1.32 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1qir h THR 51 CO 0.57 0.30 0.11 0.77 0.37 0.00 0.00 175.52 177.63 1qir h SER 52 N 1.19 0.68 0.47 4.18 4.64 -1.90 -1.89 113.55 120.92 1qir h SER 52 Ca 0.29 -0.12 -0.22 0.00 -0.47 0.00 0.00 61.79 61.27 1qir h SER 52 Cb 0.09 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1qir h SER 52 CO -0.04 0.68 -0.95 -0.37 -0.87 0.00 0.00 176.83 175.28 1qir h VAL 53 N 0.71 1.45 -0.92 0.95 -1.51 -1.77 -2.50 116.25 112.66 1qir h VAL 53 Ca 0.16 -2.59 0.02 0.00 -1.23 0.00 0.00 66.70 63.06 1qir h VAL 53 Cb 0.28 2.50 -0.05 0.00 -2.13 0.00 0.00 31.29 31.89 1qir h VAL 53 CO -0.00 0.76 0.60 0.11 -1.23 0.00 0.00 177.57 177.82 1qir h LYS 54 N 0.16 1.17 -0.37 5.19 1.79 -0.94 0.93 116.57 124.50 1qir h LYS 54 Ca -0.07 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.27 1qir h LYS 54 Cb 1.60 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 31.97 1qir h LYS 54 CO 0.16 0.77 -0.01 0.87 -1.08 0.00 0.00 179.45 180.16 1qir h LYS 55 N 1.20 0.65 -0.38 3.15 1.57 -1.34 -1.97 116.57 119.46 1qir h LYS 55 Ca 0.35 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1qir h LYS 55 Cb -0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1qir h LYS 55 CO -0.09 0.77 0.01 0.00 -0.57 0.00 0.00 179.45 179.56 1qir h ALA 56 N 0.86 1.31 -0.54 3.86 0.00 -0.96 -2.18 119.26 121.61 1qir h ALA 56 Ca 0.10 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1qir h ALA 56 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1qir h ALA 56 CO 0.02 0.47 0.02 0.93 0.00 0.00 0.00 179.25 180.69 1qir h GLU 57 N 0.57 0.90 -0.41 0.00 5.08 -0.57 0.05 114.58 120.19 1qir h GLU 57 Ca 0.12 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1qir h GLU 57 Cb 0.35 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1qir h GLU 57 CO 0.01 0.88 0.19 0.37 -1.00 0.00 0.00 179.01 179.47 1qir h GLN 58 N 0.84 0.60 -0.98 2.33 5.75 -1.07 -0.52 115.11 122.06 1qir h GLN 58 Ca 0.16 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1qir h GLN 58 Cb 0.47 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.86 1qir h GLN 58 CO 0.02 0.53 0.65 -0.92 -2.65 0.00 0.00 178.83 176.45 1qir h TYR 59 N 0.53 1.21 -0.41 3.99 3.20 -0.87 -1.11 116.97 123.51 1qir h TYR 59 Ca 0.14 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 1qir h TYR 59 Cb 0.13 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1qir h TYR 59 CO -0.01 0.73 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.13 1qir h LEU 60 N 1.28 0.75 -1.15 2.82 4.07 -0.36 0.69 115.31 123.41 1qir h LEU 60 Ca 0.38 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1qir h LEU 60 Cb -0.07 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.43 1qir h LEU 60 CO -0.10 0.90 0.39 0.25 -1.08 0.00 0.00 178.44 178.80 1qir h LEU 61 N 0.58 0.87 -0.01 1.67 5.85 -0.70 0.29 115.31 123.85 1qir h LEU 61 Ca 0.11 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.60 1qir h LEU 61 Cb 0.54 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.37 1qir h LEU 61 CO 0.03 0.70 -0.65 -0.33 -0.34 0.00 0.00 178.44 177.85 1qir h GLU 62 N 0.98 0.46 0.00 1.25 4.39 -0.96 -3.40 114.58 117.30 1qir h GLU 62 Ca 0.25 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1qir h GLU 62 Cb 0.02 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1qir h GLU 62 CO -0.04 1.13 -1.01 0.09 -1.16 0.00 0.00 179.01 178.01 1qir n ASN 63 N -4.17 0.63 -4.74 1.42 4.13 0.21 -4.95 115.26 107.80 1qir n ASN 63 Ca -0.10 -0.32 -0.41 0.00 1.68 0.00 0.00 54.58 55.43 1qir n ASN 63 Cb 0.69 0.82 -0.03 0.00 -1.54 0.00 0.00 39.78 39.72 1qir n ASN 63 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1qir s GLU 64 N -3.16 4.49 -0.02 3.52 2.02 0.05 -4.92 118.70 120.68 1qir s GLU 64 Ca 0.04 1.90 0.13 0.00 0.02 0.00 0.00 54.97 57.06 1qir s GLU 64 Cb 0.15 -3.23 -0.20 0.00 0.10 0.00 0.00 34.13 30.96 1qir s GLU 64 CO 0.81 -0.08 0.29 2.41 0.02 0.00 0.00 175.26 178.70 1qir n THR 66 N 2.35 0.00 -3.47 3.63 -1.04 -1.26 -5.01 114.28 109.49 1qir n THR 66 Ca 0.04 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.05 61.63 1qir n THR 66 Cb 0.44 0.24 -0.03 0.00 -1.82 0.00 0.00 70.33 69.16 1qir n THR 66 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1qir s THR 67 N -2.86 0.01 -0.31 12.58 -1.32 -1.26 -5.01 115.64 117.47 1qir s THR 67 Ca -0.04 -0.08 0.15 0.00 -1.21 0.00 0.00 61.69 60.51 1qir s THR 67 Cb 0.08 -1.02 0.41 0.00 -1.51 0.00 0.00 72.50 70.47 1qir s THR 67 CO 0.53 -0.04 1.32 0.29 -2.21 0.00 0.00 174.62 174.51 1qir n LYS 68 N -0.15 2.65 -1.70 7.08 4.76 -1.26 -5.05 118.16 124.49 1qir n LYS 68 Ca -0.17 -2.56 -0.40 0.00 -2.87 0.00 0.00 58.31 52.31 1qir n LYS 68 Cb 0.64 -1.62 0.02 0.00 -1.84 0.00 0.00 35.03 32.22 1qir n LYS 68 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1qir n ASN 69 N -0.46 2.33 -4.51 4.39 5.15 -1.26 -4.87 115.26 116.02 1qir n ASN 69 Ca 0.17 1.05 -0.49 0.00 -0.60 0.00 0.00 54.58 54.72 1qir n ASN 69 Cb 0.72 -1.49 -0.04 0.00 -0.53 0.00 0.00 39.78 38.44 1qir n ASN 69 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1qir n TYR 70 N -0.52 0.64 -2.00 1.20 4.01 -1.26 -5.00 117.16 114.22 1qir n TYR 70 Ca 0.08 0.82 -0.29 0.00 -0.16 0.00 0.00 57.90 58.36 1qir n TYR 70 Cb 0.41 -2.15 0.14 0.00 -0.31 0.00 0.00 39.34 37.44 1qir n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1qir s LEU 71 N 1.29 2.69 0.79 7.72 1.43 -1.26 -5.05 118.68 126.28 1qir s LEU 71 Ca 0.68 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 54.05 1qir s LEU 71 Cb -0.89 -2.62 0.06 0.00 0.03 0.00 0.00 46.19 42.78 1qir s LEU 71 CO 0.56 -2.34 1.12 -0.83 0.23 0.00 0.00 176.35 175.09 1qir s GLY 72 N -4.76 1.61 0.40 -3.19 0.00 -1.26 -4.86 107.32 95.26 1qir s GLY 72 Ca 0.69 -0.39 0.14 0.00 0.00 0.00 0.00 44.72 45.16 1qir s GLY 72 CO 0.50 0.05 1.86 -2.22 0.00 0.00 0.00 173.10 173.30 1qir h ILE 73 N -1.01 0.73 -0.01 0.90 2.04 -1.97 0.67 117.51 118.87 1qir h ILE 73 Ca -0.47 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1qir h ILE 73 Cb 1.29 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1qir h ILE 73 CO 0.63 0.09 -0.06 -0.90 0.00 0.00 0.00 178.15 177.91 1qir n ASP 74 N -4.54 1.17 0.00 1.72 5.75 -1.26 -4.32 116.55 115.07 1qir n ASP 74 Ca 0.19 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 1qir n ASP 74 Cb 0.61 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1qir n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qir n GLY 75 N 1.20 -0.69 3.61 6.12 0.00 0.23 -1.21 105.19 114.45 1qir n GLY 75 Ca 0.18 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1qir n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qir s ILE 76 N 0.00 4.64 0.28 -0.61 1.01 -1.26 -4.08 121.20 121.18 1qir s ILE 76 Ca 0.00 1.30 0.02 0.00 0.00 0.00 0.00 60.65 61.97 1qir s ILE 76 Cb 0.00 -4.29 0.27 0.00 0.01 0.00 0.00 42.46 38.45 1qir s ILE 76 CO 0.00 -0.43 1.77 -0.65 0.00 0.00 0.00 174.94 175.63 1qir h PRO 77 N 8.28 0.67 -0.19 2.79 0.11 -1.98 -0.26 132.00 141.42 1qir h PRO 77 Ca -0.23 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 1qir h PRO 77 Cb 1.08 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1qir h PRO 77 CO 0.96 0.44 -0.27 0.93 -0.21 0.00 0.00 178.00 179.85 1qir h GLU 78 N 0.69 0.36 -0.24 1.05 3.07 -1.99 -0.98 114.58 116.55 1qir h GLU 78 Ca 0.52 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1qir h GLU 78 Cb 0.76 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1qir h GLU 78 CO -0.37 0.61 0.11 0.35 -1.40 0.00 0.00 179.01 178.31 1qir h PHE 79 N 0.32 0.35 -0.67 4.33 3.57 -1.39 -1.13 116.94 122.33 1qir h PHE 79 Ca 0.05 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1qir h PHE 79 Cb 0.66 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1qir h PHE 79 CO 0.02 0.35 0.44 0.78 -2.23 0.00 0.00 178.31 177.67 1qir h GLY 80 N 0.25 0.95 0.96 2.40 0.00 -0.95 -1.54 103.07 105.13 1qir h GLY 80 Ca 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1qir h GLY 80 CO -0.01 0.36 0.19 3.21 0.00 0.00 0.00 176.54 180.29 1qir h ARG 81 N 0.91 0.65 -0.36 4.80 3.08 -1.05 -2.09 114.38 120.32 1qir h ARG 81 Ca 0.25 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1qir h ARG 81 Cb -0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1qir h ARG 81 CO -0.05 0.58 0.03 0.00 -1.07 0.00 0.00 179.97 179.46 1qir h THR 83 N 0.53 1.25 -0.70 0.00 2.02 -1.01 -1.15 112.91 113.85 1qir h THR 83 Ca 0.12 -0.80 0.05 0.00 0.77 0.00 0.00 66.41 66.55 1qir h THR 83 Cb 0.29 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 1qir h THR 83 CO 0.01 0.23 0.40 1.56 0.37 0.00 0.00 175.52 178.09 1qir h GLN 84 N -0.09 0.73 -0.30 6.66 4.20 -1.23 0.17 115.11 125.25 1qir h GLN 84 Ca 0.03 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1qir h GLN 84 Cb 0.35 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1qir h GLN 84 CO 0.01 0.48 -0.22 0.93 -0.67 0.00 0.00 178.83 179.36 1qir h GLU 85 N 0.75 0.57 -0.45 1.46 5.08 -1.34 0.78 114.58 121.44 1qir h GLU 85 Ca 0.30 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1qir h GLU 85 Cb 0.15 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1qir h GLU 85 CO -0.16 0.75 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.46 1qir h LEU 86 N 0.50 0.83 0.02 1.33 3.38 -0.03 -2.11 115.31 119.24 1qir h LEU 86 Ca 0.08 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1qir h LEU 86 Cb 0.66 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1qir h LEU 86 CO 0.05 0.98 -0.01 -0.07 0.09 0.00 0.00 178.44 179.47 1qir h LEU 87 N 0.67 -0.02 0.00 1.67 3.38 -0.55 -3.40 115.31 117.06 1qir h LEU 87 Ca 0.12 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1qir h LEU 87 Cb 0.59 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1qir h LEU 87 CO 0.04 0.66 -1.61 0.49 0.09 0.00 0.00 178.44 178.10 1qir n PHE 88 N -4.78 0.17 0.00 1.13 3.72 0.25 -4.75 117.46 113.20 1qir n PHE 88 Ca -0.09 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1qir n PHE 88 Cb 0.33 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 1qir n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qir n GLY 89 N 1.29 2.78 0.04 1.37 0.00 -0.79 -4.64 105.19 105.24 1qir n GLY 89 Ca -0.02 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 1qir n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qir h LYS 90 N 0.00 0.00 -0.94 1.61 1.57 -1.90 -2.85 116.57 114.06 1qir h LYS 90 Ca 0.00 -0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1qir h LYS 90 Cb 0.00 -0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.01 1qir h LYS 90 CO 0.00 0.00 0.58 0.41 -0.57 0.00 0.00 179.45 179.87 1qir n GLY 91 N -1.09 5.74 3.76 3.86 0.00 -1.26 -4.99 105.19 111.21 1qir n GLY 91 Ca -0.07 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 1qir n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qir s SER 92 N -2.04 5.74 0.27 1.61 0.15 -1.08 -4.90 113.70 113.45 1qir s SER 92 Ca 0.61 2.55 0.08 0.00 0.70 0.00 0.00 55.95 59.89 1qir s SER 92 Cb 0.49 -2.62 0.36 0.00 -1.71 0.00 0.00 66.02 62.54 1qir s SER 92 CO 0.01 -1.23 1.62 0.00 1.20 0.00 0.00 173.24 174.84 1qir h ALA 93 N 1.80 0.98 -0.39 5.45 0.00 -1.91 -1.01 119.26 124.18 1qir h ALA 93 Ca -0.50 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 53.83 1qir h ALA 93 Cb 1.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1qir h ALA 93 CO 0.59 0.71 -0.01 -0.07 0.00 0.00 0.00 179.25 180.47 1qir h LEU 94 N 0.09 0.59 -0.03 0.00 4.07 -1.95 -0.05 115.31 118.03 1qir h LEU 94 Ca -0.00 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 57.77 1qir h LEU 94 Cb 1.03 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1qir h LEU 94 CO 0.08 0.67 -0.23 0.40 -1.08 0.00 0.00 178.44 178.27 1qir h ILE 95 N 0.59 1.49 -0.20 1.22 2.04 -1.85 -1.50 117.51 119.30 1qir h ILE 95 Ca 0.12 -1.77 -0.11 0.00 1.00 0.00 0.00 64.86 64.09 1qir h ILE 95 Cb 0.39 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1qir h ILE 95 CO 0.01 0.49 -0.36 0.78 0.00 0.00 0.00 178.15 179.07 1qir h ASN 96 N -0.38 0.45 0.36 1.72 -0.26 -1.07 -2.92 115.58 113.48 1qir h ASN 96 Ca -0.02 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 1qir h ASN 96 Cb 0.93 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 1qir h ASN 96 CO 0.05 0.78 -0.13 0.47 -1.06 0.00 0.00 177.43 177.54 1qir n ASP 97 N -4.05 0.53 -3.41 5.81 8.00 -0.04 -4.94 116.55 118.44 1qir n ASP 97 Ca -0.01 -0.59 -0.21 0.00 0.71 0.00 0.00 54.79 54.68 1qir n ASP 97 Cb 0.47 -0.05 0.08 0.00 -0.02 0.00 0.00 41.12 41.60 1qir n ASP 97 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qir n LYS 98 N -0.93 -7.32 0.00 -1.24 5.02 -1.10 -4.23 118.16 108.36 1qir n LYS 98 Ca 0.14 0.79 0.12 0.00 -2.02 0.00 0.00 58.31 57.34 1qir n LYS 98 Cb 0.29 -5.71 0.27 0.00 -0.02 0.00 0.00 35.03 29.86 1qir n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qir n ARG 99 N -4.61 0.03 -4.90 1.97 1.74 -0.58 -3.69 116.66 106.63 1qir n ARG 99 Ca -0.05 -0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.71 1qir n ARG 99 Cb 0.58 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.37 1qir n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qir s ALA 100 N -2.98 2.32 -0.04 7.54 0.00 -1.23 -1.66 121.76 125.71 1qir s ALA 100 Ca 0.12 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1qir s ALA 100 Cb 0.18 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1qir s ALA 100 CO 0.68 0.54 -0.06 1.03 0.00 0.00 0.00 175.76 177.95 1qir s ARG 101 N -1.21 0.89 0.01 0.00 1.81 -0.22 -4.98 118.95 115.25 1qir s ARG 101 Ca 0.12 -0.19 0.08 0.00 -1.72 0.00 0.00 55.73 54.02 1qir s ARG 101 Cb -0.10 -0.85 -0.02 0.00 -0.45 0.00 0.00 34.95 33.53 1qir s ARG 101 CO 0.02 0.00 -0.24 -0.08 -0.68 0.00 0.00 175.30 174.33 1qir s THR 102 N 0.59 1.88 -0.10 0.02 -1.32 -1.26 -0.89 115.64 114.56 1qir s THR 102 Ca -0.08 -1.13 0.01 0.00 -1.21 0.00 0.00 61.69 59.27 1qir s THR 102 Cb -0.12 -1.59 -0.02 0.00 -1.51 0.00 0.00 72.50 69.26 1qir s THR 102 CO 0.01 0.43 -0.12 0.00 -2.21 0.00 0.00 174.62 172.73 1qir s ALA 103 N -0.65 2.72 0.19 11.08 0.00 -0.74 -4.89 121.76 129.46 1qir s ALA 103 Ca 0.09 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1qir s ALA 103 Cb -0.09 -1.18 -0.08 0.00 0.00 0.00 0.00 23.12 21.77 1qir s ALA 103 CO 0.00 0.37 1.07 -1.14 0.00 0.00 0.00 175.76 176.07 1qir s GLN 104 N -0.10 4.63 0.22 0.00 0.74 -0.35 -1.51 119.66 123.29 1qir s GLN 104 Ca -0.01 1.68 0.03 0.00 0.05 0.00 0.00 55.36 57.11 1qir s GLN 104 Cb -0.14 -3.28 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 1qir s GLN 104 CO 0.03 0.14 0.02 0.95 -0.55 0.00 0.00 175.29 175.89 1qir s THR 105 N -0.41 0.83 -1.12 -0.34 -4.23 0.23 -4.57 115.64 106.02 1qir s THR 105 Ca 0.48 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.76 1qir s THR 105 Cb -0.29 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.23 1qir s THR 105 CO 0.35 -0.30 1.71 -2.84 -0.54 0.00 0.00 174.62 173.00 1qir s PRO 106 N -3.91 3.37 0.05 3.99 0.02 -1.26 -2.23 135.00 135.02 1qir s PRO 106 Ca 0.29 -1.29 0.00 0.00 0.02 0.00 0.00 61.00 60.02 1qir s PRO 106 Cb 0.06 -5.35 0.00 0.00 0.02 0.00 0.00 34.50 29.23 1qir s PRO 106 CO 0.08 -2.72 0.00 0.41 -0.33 0.00 0.00 177.00 174.44 1qir n GLY 107 N 6.20 -2.33 0.16 0.52 0.00 -1.09 -2.80 105.19 105.85 1qir n GLY 107 Ca 0.42 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 1qir n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qir h GLY 108 N 0.00 0.37 1.00 -0.02 0.00 -1.76 -2.92 103.07 99.73 1qir h GLY 108 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1qir h GLY 108 CO 0.00 0.48 0.23 -0.84 0.00 0.00 0.00 176.54 176.40 1qir h THR 109 N 0.22 1.10 -0.32 4.70 2.02 -1.91 0.02 112.91 118.74 1qir h THR 109 Ca -0.03 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1qir h THR 109 Cb 1.32 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1qir h THR 109 CO 0.12 0.09 0.21 1.23 0.37 0.00 0.00 175.52 177.55 1qir h GLY 110 N 0.47 0.45 1.27 2.16 0.00 -1.50 0.67 103.07 106.59 1qir h GLY 110 Ca 0.13 -0.17 -0.20 0.00 0.00 0.00 0.00 47.33 47.08 1qir h GLY 110 CO -0.03 0.17 -0.70 0.00 0.00 0.00 0.00 176.54 175.98 1qir h ALA 111 N 1.79 0.43 -0.51 3.60 0.00 -1.15 -1.34 119.26 122.09 1qir h ALA 111 Ca 0.12 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1qir h ALA 111 Cb -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1qir h ALA 111 CO -0.02 0.70 0.05 -0.07 0.00 0.00 0.00 179.25 179.91 1qir h LEU 112 N 0.52 0.83 -0.33 0.00 3.38 -0.35 -1.85 115.31 117.51 1qir h LEU 112 Ca -0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1qir h LEU 112 Cb 1.31 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1qir h LEU 112 CO 0.14 0.90 0.12 -0.09 0.09 0.00 0.00 178.44 179.60 1qir h ARG 113 N 0.73 0.50 -0.85 1.13 9.65 -0.84 -0.69 114.38 124.01 1qir h ARG 113 Ca 0.15 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1qir h ARG 113 Cb 0.44 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 1qir h ARG 113 CO 0.02 0.51 0.56 0.28 2.80 0.00 0.00 179.97 184.13 1qir h VAL 114 N 0.38 1.22 -0.33 0.20 2.07 -1.20 -0.57 116.25 118.02 1qir h VAL 114 Ca 0.11 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1qir h VAL 114 Cb 0.21 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1qir h VAL 114 CO -0.01 0.22 -0.02 0.00 0.02 0.00 0.00 177.57 177.78 1qir h ALA 115 N 1.46 0.45 -0.12 1.67 0.00 -1.09 -1.68 119.26 119.95 1qir h ALA 115 Ca 0.31 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1qir h ALA 115 Cb -0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1qir h ALA 115 CO -0.07 0.23 0.03 0.00 0.00 0.00 0.00 179.25 179.44 1qir h ALA 116 N 0.84 0.12 -0.73 0.00 0.00 -0.44 -0.61 119.26 118.45 1qir h ALA 116 Ca 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1qir h ALA 116 Cb 0.47 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1qir h ALA 116 CO 0.02 -0.42 0.28 -0.44 0.00 0.00 0.00 179.25 178.68 1qir h ASP 117 N 0.08 1.00 0.18 0.00 3.32 -1.11 -0.13 116.42 119.77 1qir h ASP 117 Ca 0.05 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1qir h ASP 117 Cb 0.04 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1qir h ASP 117 CO -0.07 0.90 -0.09 0.15 -1.72 0.00 0.00 179.24 178.42 1qir h PHE 118 N 1.06 -0.23 -0.74 4.55 3.57 -1.07 -1.88 116.94 122.21 1qir h PHE 118 Ca 0.24 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1qir h PHE 118 Cb 0.22 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1qir h PHE 118 CO 0.02 0.04 0.46 -0.07 -2.23 0.00 0.00 178.31 176.54 1qir h LEU 119 N -0.50 0.88 -0.99 0.59 3.38 -1.05 -0.65 115.31 116.97 1qir h LEU 119 Ca -0.03 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1qir h LEU 119 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1qir h LEU 119 CO 0.04 0.66 0.15 0.00 0.09 0.00 0.00 178.44 179.38 1qir h ALA 120 N 1.25 1.18 -0.01 1.53 0.00 -1.02 -2.08 119.26 120.11 1qir h ALA 120 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qir h ALA 120 Cb -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1qir h ALA 120 CO -0.05 0.56 -0.72 0.36 0.00 0.00 0.00 179.25 179.40 1qir n LYS 121 N -4.27 0.48 0.00 0.00 0.00 -0.71 -4.62 118.16 109.04 1qir n LYS 121 Ca 0.04 -0.38 0.00 0.00 -0.00 0.00 0.00 58.31 57.97 1qir n LYS 121 Cb 0.23 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.76 1qir n LYS 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1qir n ASN 122 N -0.93 0.15 -3.91 -5.58 3.02 -0.27 -5.08 115.26 102.67 1qir n ASN 122 Ca 0.07 -0.47 -0.26 0.00 -0.03 0.00 0.00 54.58 53.89 1qir n ASN 122 Cb 0.38 0.46 -0.07 0.00 -0.61 0.00 0.00 39.78 39.93 1qir n ASN 122 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1qir n THR 123 N -0.46 0.00 -0.52 3.41 -2.24 -0.78 -5.01 114.28 108.68 1qir n THR 123 Ca 0.00 -2.40 -0.02 0.00 -2.27 0.00 0.00 64.05 59.36 1qir n THR 123 Cb 0.02 0.85 0.25 0.00 -2.10 0.00 0.00 70.33 69.36 1qir n THR 123 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qir n SER 124 N -1.51 4.28 -4.74 3.42 3.41 -1.26 -4.79 113.62 112.42 1qir n SER 124 Ca -0.06 -2.88 -0.41 0.00 -0.26 0.00 0.00 58.87 55.27 1qir n SER 124 Cb 0.62 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 1qir n SER 124 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qir s VAL 125 N -2.39 4.22 0.00 -3.33 1.01 -1.26 -4.90 120.40 113.74 1qir s VAL 125 Ca 0.42 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.42 1qir s VAL 125 Cb 0.33 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1qir s VAL 125 CO 0.11 0.39 0.00 0.29 0.00 0.00 0.00 175.10 175.89 1qir n LYS 126 N 2.13 3.05 -4.55 2.72 4.01 -1.26 -4.76 118.16 119.49 1qir n LYS 126 Ca 0.00 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.57 1qir n LYS 126 Cb 0.48 -0.38 -0.16 0.00 -0.51 0.00 0.00 35.03 34.46 1qir n LYS 126 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1qir s ARG 129 N -0.45 1.41 -0.12 1.97 3.52 -1.26 -1.08 118.95 122.94 1qir s ARG 129 Ca 0.00 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 1qir s ARG 129 Cb 0.00 -1.23 0.01 0.00 -1.56 0.00 0.00 34.95 32.17 1qir s ARG 129 CO 0.00 0.10 -0.21 0.08 -0.81 0.00 0.00 175.30 174.46 1qir s VAL 133 N 0.37 1.93 -0.23 7.11 1.01 0.33 -2.04 120.40 128.87 1qir s VAL 133 Ca -0.08 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 1qir s VAL 133 Cb -0.12 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1qir s VAL 133 CO 0.02 0.53 0.26 0.26 0.00 0.00 0.00 175.10 176.17 1qir s TRP 134 N 0.65 3.32 0.07 5.22 0.52 0.17 -1.17 118.94 127.72 1qir s TRP 134 Ca -0.12 0.36 0.09 0.00 0.02 0.00 0.00 56.10 56.45 1qir s TRP 134 Cb -0.16 -2.39 -0.03 0.00 -1.15 0.00 0.00 33.47 29.73 1qir s TRP 134 CO 0.03 -0.01 -0.24 0.08 0.02 0.00 0.00 176.95 176.83 1qir s VAL 135 N 1.31 1.95 0.91 4.03 1.01 -0.35 -0.11 120.40 129.14 1qir s VAL 135 Ca 0.12 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 1qir s VAL 135 Cb -0.14 -1.70 0.14 0.00 0.00 0.00 0.00 36.38 34.67 1qir s VAL 135 CO 0.07 0.20 1.09 -0.94 0.00 0.00 0.00 175.10 175.52 1qir s SER 136 N -1.48 3.33 -0.25 3.32 1.04 -1.26 -1.79 113.70 116.60 1qir s SER 136 Ca 0.10 1.58 0.02 0.00 0.48 0.00 0.00 55.95 58.13 1qir s SER 136 Cb -0.10 -2.25 0.06 0.00 0.10 0.00 0.00 66.02 63.84 1qir s SER 136 CO 0.03 -2.74 -0.08 0.21 0.98 0.00 0.00 173.24 171.63 1qir s ASN 137 N -3.28 4.21 0.78 7.02 3.04 -0.43 -3.29 114.94 122.99 1qir s ASN 137 Ca 0.64 -1.33 -0.07 0.00 0.04 0.00 0.00 52.86 52.13 1qir s ASN 137 Cb -0.19 -1.40 0.12 0.00 -1.54 0.00 0.00 41.25 38.25 1qir s ASN 137 CO 0.58 -0.21 1.10 -2.16 -3.04 0.00 0.00 177.10 173.36 1qir s PRO 138 N 1.22 1.58 0.28 0.43 0.04 -1.26 -3.20 135.00 134.09 1qir s PRO 138 Ca -0.07 -0.57 -0.08 0.00 0.04 0.00 0.00 61.00 60.31 1qir s PRO 138 Cb -0.19 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 1qir s PRO 138 CO -0.06 -1.64 0.46 0.45 0.04 0.00 0.00 177.00 176.25 1qir s SER 139 N -4.69 0.30 -0.12 6.66 0.15 -1.21 -4.67 113.70 110.11 1qir s SER 139 Ca 0.66 -1.19 -0.37 0.00 0.70 0.00 0.00 55.95 55.75 1qir s SER 139 Cb -0.07 0.61 -0.14 0.00 -1.71 0.00 0.00 66.02 64.70 1qir s SER 139 CO 0.47 -1.19 1.72 1.87 1.20 0.00 0.00 173.24 177.31 1qir n TRP 140 N -0.44 2.10 0.08 3.44 -0.00 -0.80 -4.49 117.44 117.33 1qir n TRP 140 Ca -0.01 0.33 0.21 0.00 -0.00 0.00 0.00 57.50 58.03 1qir n TRP 140 Cb 0.62 -2.52 0.73 0.00 -0.00 0.00 0.00 31.31 30.14 1qir n TRP 140 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1qir h PRO 141 N 7.44 0.00 -0.00 5.87 0.11 -1.99 -2.32 132.00 141.11 1qir h PRO 141 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qir h PRO 141 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1qir h PRO 141 CO 0.93 0.00 -0.02 -1.71 -0.21 0.00 0.00 178.00 176.98 1qir n ASN 142 N -3.70 0.31 -0.01 -2.05 5.15 -1.26 -4.05 115.26 109.65 1qir n ASN 142 Ca 0.08 -0.83 -0.12 0.00 -0.60 0.00 0.00 54.58 53.10 1qir n ASN 142 Cb 0.66 -0.06 -0.08 0.00 -0.53 0.00 0.00 39.78 39.76 1qir n ASN 142 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1qir h HIS 143 N 0.45 0.08 -0.50 1.20 3.86 -1.79 -2.45 115.15 116.00 1qir h HIS 143 Ca 0.00 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 1qir h HIS 143 Cb 0.20 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.58 1qir h HIS 143 CO 0.00 0.33 0.16 -0.22 0.86 0.00 0.00 177.93 179.06 1qir h LYS 144 N -0.20 0.31 -0.82 2.45 3.64 -1.81 -2.28 116.57 117.87 1qir h LYS 144 Ca 0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1qir h LYS 144 Cb 0.30 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1qir h LYS 144 CO 0.00 0.21 0.48 1.03 -2.27 0.00 0.00 179.45 178.89 1qir h SER 145 N 0.32 1.00 -0.15 4.20 0.87 -1.76 0.19 113.55 118.22 1qir h SER 145 Ca 0.24 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1qir h SER 145 Cb 0.28 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1qir h SER 145 CO -0.27 0.78 -0.13 0.58 -0.53 0.00 0.00 176.83 177.27 1qir h VAL 146 N 1.13 1.34 -0.37 2.23 2.07 -1.09 -1.78 116.25 119.78 1qir h VAL 146 Ca 0.29 -1.27 -0.14 0.00 0.82 0.00 0.00 66.70 66.40 1qir h VAL 146 Cb -0.01 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1qir h VAL 146 CO -0.05 0.37 -0.32 -0.26 0.02 0.00 0.00 177.57 177.33 1qir h PHE 147 N -0.01 0.97 -0.02 1.57 0.04 -1.33 -2.42 116.94 115.74 1qir h PHE 147 Ca 0.03 -0.26 -0.05 0.00 2.80 0.00 0.00 57.97 60.48 1qir h PHE 147 Cb 0.65 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1qir h PHE 147 CO 0.08 1.04 -0.22 -0.91 -0.60 0.00 0.00 178.31 177.70 1qir h ASN 148 N 0.70 0.04 0.23 2.17 2.35 -0.61 -1.89 115.58 118.56 1qir h ASN 148 Ca 0.07 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1qir h ASN 148 Cb 0.87 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 1qir h ASN 148 CO 0.08 0.26 -0.32 0.28 -1.65 0.00 0.00 177.43 176.08 1qir h SER 149 N 0.04 0.15 0.54 5.81 0.02 -0.82 -2.84 113.55 116.46 1qir h SER 149 Ca 0.01 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1qir h SER 149 Cb 0.41 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1qir h SER 149 CO 0.03 0.48 -0.19 0.00 -1.14 0.00 0.00 176.83 176.01 1qir n ALA 150 N -2.48 2.87 -0.03 3.77 0.00 -0.80 -4.93 120.51 118.92 1qir n ALA 150 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1qir n ALA 150 Cb 0.40 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1qir n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qir n GLY 151 N 1.39 0.75 3.88 0.00 0.00 -1.07 -4.84 105.19 105.31 1qir n GLY 151 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1qir n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qir s LEU 152 N 0.00 4.10 0.09 0.99 1.02 -0.78 -4.99 118.68 119.11 1qir s LEU 152 Ca 0.00 0.91 0.01 0.00 0.02 0.00 0.00 54.13 55.07 1qir s LEU 152 Cb 0.00 -3.70 -0.04 0.00 0.02 0.00 0.00 46.19 42.47 1qir s LEU 152 CO 0.00 -0.15 0.22 -0.70 0.02 0.00 0.00 176.35 175.75 1qir s GLU 154 N -3.13 3.41 -0.20 1.70 2.56 -0.24 -3.79 118.70 119.01 1qir s GLU 154 Ca 0.47 -0.50 -0.05 0.00 0.00 0.00 0.00 54.97 54.89 1qir s GLU 154 Cb -0.11 -3.00 -0.02 0.00 2.00 0.00 0.00 34.13 33.00 1qir s GLU 154 CO 0.24 0.58 -0.00 0.08 -0.56 0.00 0.00 175.26 175.60 1qir s VAL 155 N -1.58 3.94 0.11 3.70 1.01 -1.26 -0.51 120.40 125.81 1qir s VAL 155 Ca 0.35 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1qir s VAL 155 Cb -0.12 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1qir s VAL 155 CO 0.28 0.43 -0.13 -0.13 0.00 0.00 0.00 175.10 175.55 1qir s ARG 156 N 0.97 2.02 -0.12 2.72 0.52 -0.32 -4.98 118.95 119.76 1qir s ARG 156 Ca 0.01 -1.07 -0.04 0.00 -0.52 0.00 0.00 55.73 54.12 1qir s ARG 156 Cb -0.14 -2.24 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 1qir s ARG 156 CO 0.02 0.50 0.02 -1.21 0.02 0.00 0.00 175.30 174.65 1qir s GLU 157 N -2.16 3.35 0.02 3.54 2.02 -1.26 -1.21 118.70 123.01 1qir s GLU 157 Ca 0.20 -0.39 0.05 0.00 0.02 0.00 0.00 54.97 54.85 1qir s GLU 157 Cb -0.11 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 1qir s GLU 157 CO 0.12 0.54 -0.12 1.52 0.02 0.00 0.00 175.26 177.34 1qir s TYR 158 N -0.42 2.73 0.66 1.61 -0.85 -0.74 -4.94 117.35 115.40 1qir s TYR 158 Ca 0.08 -0.15 -0.18 0.00 -0.52 0.00 0.00 57.07 56.31 1qir s TYR 158 Cb -0.12 -1.54 -0.00 0.00 0.38 0.00 0.00 41.96 40.68 1qir s TYR 158 CO 0.02 0.31 1.27 0.00 -1.52 0.00 0.00 175.55 175.64 1qir n ALA 159 N 1.53 0.99 0.03 9.51 0.00 -1.26 -1.32 120.51 129.99 1qir n ALA 159 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1qir n ALA 159 Cb 0.52 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1qir n ALA 159 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1qir n TYR 160 N -2.05 -1.82 -3.59 0.00 9.36 -1.23 -3.68 117.16 114.15 1qir n TYR 160 Ca 0.16 0.17 -0.37 0.00 3.32 0.00 0.00 57.90 61.18 1qir n TYR 160 Cb 0.48 0.81 -0.07 0.00 -0.63 0.00 0.00 39.34 39.94 1qir n TYR 160 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1qir s TYR 161 N -1.14 3.55 -0.54 2.98 5.04 -1.19 -0.27 117.35 125.78 1qir s TYR 161 Ca 0.00 0.68 -0.17 0.00 -2.44 0.00 0.00 57.07 55.14 1qir s TYR 161 Cb 0.00 -2.26 0.10 0.00 0.35 0.00 0.00 41.96 40.16 1qir s TYR 161 CO 0.00 0.43 0.55 0.34 -1.34 0.00 0.00 175.55 175.53 1qir s ASP 162 N -0.18 6.18 0.46 4.32 -1.08 0.04 -4.82 116.67 121.60 1qir s ASP 162 Ca 0.18 -1.49 0.23 0.00 -0.52 0.00 0.00 52.55 50.95 1qir s ASP 162 Cb -0.14 -2.24 1.12 0.00 -1.46 0.00 0.00 42.92 40.20 1qir s ASP 162 CO 0.06 -0.90 1.94 0.00 0.52 0.00 0.00 175.17 176.79 1qir h ALA 163 N 8.96 1.21 0.02 3.66 0.00 -1.96 0.54 119.26 131.68 1qir h ALA 163 Ca -0.29 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1qir h ALA 163 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1qir h ALA 163 CO 1.02 0.27 -0.01 0.93 0.00 0.00 0.00 179.25 181.45 1qir h GLU 164 N 0.00 -0.02 0.00 0.00 5.08 -1.96 -3.32 114.58 114.35 1qir h GLU 164 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qir h GLU 164 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1qir h GLU 164 CO 0.03 0.68 -0.37 0.09 -1.00 0.00 0.00 179.01 178.44 1qir n ASN 165 N -4.75 0.44 -3.60 1.42 3.02 -1.21 -4.95 115.26 105.64 1qir n ASN 165 Ca -0.09 0.08 -0.20 0.00 -0.03 0.00 0.00 54.58 54.34 1qir n ASN 165 Cb 0.35 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.55 1qir n ASN 165 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1qir n HIS 166 N -1.69 -2.01 -4.34 3.10 8.25 0.18 -5.00 115.22 113.70 1qir n HIS 166 Ca 0.05 0.87 -0.20 0.00 -0.26 0.00 0.00 57.72 58.19 1qir n HIS 166 Cb 0.37 -4.62 -0.09 0.00 1.12 0.00 0.00 29.99 26.77 1qir n HIS 166 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1qir s THR 167 N -3.56 0.27 -0.29 1.59 -4.23 -0.86 -4.97 115.64 103.59 1qir s THR 167 Ca 0.01 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.30 1qir s THR 167 Cb -0.00 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 71.35 1qir s THR 167 CO 0.78 0.00 0.75 -0.22 -0.54 0.00 0.00 174.62 175.39 1qir s LEU 168 N -3.40 4.09 -1.22 4.79 2.96 -1.26 -0.78 118.68 123.86 1qir s LEU 168 Ca 0.35 0.69 -0.15 0.00 -0.22 0.00 0.00 54.13 54.80 1qir s LEU 168 Cb 0.04 -3.02 0.14 0.00 0.50 0.00 0.00 46.19 43.85 1qir s LEU 168 CO 0.19 -0.55 1.50 -0.62 -1.32 0.00 0.00 176.35 175.56 1qir s ASP 169 N 1.56 6.99 0.21 3.68 -1.08 0.62 -4.87 116.67 123.79 1qir s ASP 169 Ca 0.31 -2.81 -0.10 0.00 -0.52 0.00 0.00 52.55 49.43 1qir s ASP 169 Cb -0.15 -2.45 0.18 0.00 -1.46 0.00 0.00 42.92 39.05 1qir s ASP 169 CO 0.11 -0.87 1.87 0.15 0.52 0.00 0.00 175.17 176.95 1qir h PHE 170 N 7.35 0.93 -0.74 -5.34 3.57 -1.93 -1.05 116.94 119.72 1qir h PHE 170 Ca 0.34 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 1qir h PHE 170 Cb 0.88 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1qir h PHE 170 CO 1.19 0.56 0.34 -0.44 -2.23 0.00 0.00 178.31 177.73 1qir h ASP 171 N 0.98 0.98 -0.47 0.41 3.32 -1.97 -0.63 116.42 119.05 1qir h ASP 171 Ca 0.29 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1qir h ASP 171 Cb -0.06 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 1qir h ASP 171 CO -0.08 0.85 0.05 0.00 -1.72 0.00 0.00 179.24 178.34 1qir h ALA 172 N 1.17 1.10 0.34 3.45 0.00 -1.84 -0.16 119.26 123.32 1qir h ALA 172 Ca 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1qir h ALA 172 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1qir h ALA 172 CO -0.03 0.58 -0.25 1.25 0.00 0.00 0.00 179.25 180.80 1qir h LEU 173 N 0.81 -0.66 0.05 0.00 7.12 -0.63 -0.72 115.31 121.29 1qir h LEU 173 Ca 0.16 0.05 0.02 0.00 0.13 0.00 0.00 57.88 58.24 1qir h LEU 173 Cb 0.41 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.72 1qir h LEU 173 CO 0.01 -0.39 -0.17 0.40 -0.13 0.00 0.00 178.44 178.17 1qir h ILE 174 N -0.59 0.60 -0.30 4.05 1.08 -0.90 -1.36 117.51 120.10 1qir h ILE 174 Ca -0.03 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.41 1qir h ILE 174 Cb 0.51 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 1qir h ILE 174 CO -0.00 0.00 0.02 0.78 -0.69 0.00 0.00 178.15 178.26 1qir h ASN 175 N -0.30 0.41 -0.38 1.72 2.35 -0.97 -2.28 115.58 116.12 1qir h ASN 175 Ca 0.04 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 1qir h ASN 175 Cb 0.34 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1qir h ASN 175 CO -0.12 0.46 -0.16 0.28 -1.65 0.00 0.00 177.43 176.24 1qir h SER 176 N 0.43 0.79 0.54 5.81 0.02 -0.83 -3.07 113.55 117.24 1qir h SER 176 Ca 0.10 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1qir h SER 176 Cb 0.25 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1qir h SER 176 CO 0.00 1.01 0.00 -0.11 -1.14 0.00 0.00 176.83 176.59 1qir n LEU 177 N -4.30 0.07 0.18 5.07 7.94 -0.54 -2.42 117.00 123.01 1qir n LEU 177 Ca -0.02 0.52 0.14 0.00 -1.11 0.00 0.00 56.01 55.54 1qir n LEU 177 Cb 0.40 -0.51 0.55 0.00 0.53 0.00 0.00 43.42 44.39 1qir n LEU 177 CO 0.44 -0.28 0.91 0.78 -1.11 0.00 0.00 177.39 178.13 1qir h ASN 178 N 0.00 0.00 0.79 1.96 4.21 -1.35 -1.62 115.58 119.56 1qir h ASN 178 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1qir h ASN 178 Cb 0.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 1qir h ASN 178 CO 0.00 0.00 -0.08 -0.62 -1.29 0.00 0.00 177.43 175.44 1qir n GLU 179 N -2.55 0.15 -2.69 0.81 1.02 -1.01 -4.81 120.64 111.56 1qir n GLU 179 Ca 0.02 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 1qir n GLU 179 Cb 0.27 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 1qir n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qir s ALA 180 N -2.87 3.30 0.66 0.62 0.00 -0.61 -5.04 121.76 117.82 1qir s ALA 180 Ca 0.18 0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.53 1qir s ALA 180 Cb 0.19 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.95 1qir s ALA 180 CO 0.53 -0.45 0.98 -0.65 0.00 0.00 0.00 175.76 176.18 1qir s GLN 181 N 1.57 2.51 0.05 0.00 -0.21 -1.26 -4.99 119.66 117.33 1qir s GLN 181 Ca 0.50 -0.10 -0.31 0.00 0.02 0.00 0.00 55.36 55.48 1qir s GLN 181 Cb -0.20 -2.19 -0.06 0.00 1.00 0.00 0.00 33.01 31.56 1qir s GLN 181 CO 0.23 -1.03 1.35 0.00 -2.12 0.00 0.00 175.29 173.71 1qir s ALA 182 N -3.17 3.54 0.00 6.09 0.00 -1.23 -2.20 121.76 124.80 1qir s ALA 182 Ca 0.58 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1qir s ALA 182 Cb -0.11 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1qir s ALA 182 CO 0.45 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1qir n GLY 183 N 3.49 0.49 3.84 0.00 0.00 0.35 -4.98 105.19 108.39 1qir n GLY 183 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1qir n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qir s ASP 184 N -2.36 6.86 -0.12 1.61 1.11 -0.93 -4.58 116.67 118.27 1qir s ASP 184 Ca 0.00 1.37 -0.18 0.00 0.18 0.00 0.00 52.55 53.93 1qir s ASP 184 Cb 0.00 -2.41 -0.04 0.00 1.07 0.00 0.00 42.92 41.54 1qir s ASP 184 CO 0.00 -0.18 0.46 -0.69 1.18 0.00 0.00 175.17 175.95 1qir s VAL 185 N -1.91 5.19 -0.19 -1.27 1.01 -0.87 -0.76 120.40 121.60 1qir s VAL 185 Ca 0.53 0.92 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 1qir s VAL 185 Cb -0.11 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1qir s VAL 185 CO 0.18 0.34 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 1qir s VAL 186 N 0.55 2.78 -0.21 2.92 1.01 -0.45 -0.66 120.40 126.33 1qir s VAL 186 Ca 0.25 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 1qir s VAL 186 Cb -0.15 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1qir s VAL 186 CO 0.10 0.49 0.69 -0.22 0.00 0.00 0.00 175.10 176.16 1qir s LEU 187 N 1.22 4.12 0.07 3.92 0.20 0.84 -1.40 118.68 127.65 1qir s LEU 187 Ca 0.02 0.89 0.07 0.00 0.69 0.00 0.00 54.13 55.80 1qir s LEU 187 Cb -0.14 -2.98 -0.04 0.00 -0.43 0.00 0.00 46.19 42.60 1qir s LEU 187 CO -0.05 -0.35 -0.13 -0.36 -0.29 0.00 0.00 176.35 175.16 1qir s PHE 188 N 2.22 2.68 0.18 5.38 0.08 0.57 -4.53 117.98 124.57 1qir s PHE 188 Ca 0.30 -0.19 -0.16 0.00 0.12 0.00 0.00 56.93 57.01 1qir s PHE 188 Cb -0.16 -1.45 -0.07 0.00 -0.57 0.00 0.00 43.02 40.76 1qir s PHE 188 CO 0.10 0.36 0.61 -1.01 -0.10 0.00 0.00 175.22 175.18 1qir s HIS 189 N -1.09 3.59 0.00 0.36 3.76 -1.26 -0.60 115.29 120.05 1qir s HIS 189 Ca 0.18 1.15 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 1qir s HIS 189 Cb -0.11 -2.45 0.00 0.00 1.11 0.00 0.00 32.58 31.14 1qir s HIS 189 CO 0.10 0.37 0.93 0.41 -0.85 0.00 0.00 174.74 175.70 1qir n GLY 190 N 0.65 -2.67 3.46 -2.22 0.00 -0.01 -4.84 105.19 99.57 1qir n GLY 190 Ca -0.04 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1qir n GLY 190 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qir s TYR 191 N -2.73 -0.47 -0.76 1.61 2.02 -1.26 -4.75 117.35 111.00 1qir s TYR 191 Ca 0.00 0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.90 1qir s TYR 191 Cb 0.00 0.55 -0.03 0.00 -0.40 0.00 0.00 41.96 42.08 1qir s TYR 191 CO 0.00 -0.88 0.69 0.00 -1.57 0.00 0.00 175.55 173.79 1qir n HIS 193 N -2.33 2.34 -3.75 0.00 -0.00 -1.26 -4.81 115.22 105.41 1qir n HIS 193 Ca -0.03 0.16 -0.37 0.00 0.46 0.00 0.00 57.72 57.94 1qir n HIS 193 Cb 0.55 -2.59 -0.11 0.00 -0.12 0.00 0.00 29.99 27.72 1qir n HIS 193 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1qir s ASN 194 N 1.80 5.58 0.00 0.26 3.04 -1.26 0.21 114.94 124.58 1qir s ASN 194 Ca 0.82 -0.06 0.25 0.00 0.04 0.00 0.00 52.86 53.91 1qir s ASN 194 Cb -0.66 -2.01 0.47 0.00 -1.54 0.00 0.00 41.25 37.52 1qir s ASN 194 CO 0.41 0.01 1.41 -0.81 -3.04 0.00 0.00 177.10 175.08 1qir n PRO 195 N 4.62 1.83 0.08 0.43 -0.04 -1.26 -1.90 135.00 138.76 1qir n PRO 195 Ca -0.15 -1.37 -0.08 0.00 -0.04 0.00 0.00 63.50 61.85 1qir n PRO 195 Cb 0.52 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 1qir n PRO 195 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1qir h THR 196 N 3.35 1.58 0.00 0.52 1.35 -1.78 -3.36 112.91 114.57 1qir h THR 196 Ca 0.00 -2.97 0.00 0.00 -0.55 0.00 0.00 66.41 62.89 1qir h THR 196 Cb 0.77 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.86 1qir h THR 196 CO 0.00 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.74 1qir n GLY 197 N 1.11 1.01 3.66 5.82 0.00 0.13 -4.32 105.19 112.60 1qir n GLY 197 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1qir n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qir s ILE 198 N -3.91 5.13 0.13 -0.61 -1.09 -1.26 -1.60 121.20 117.98 1qir s ILE 198 Ca 0.00 0.87 0.07 0.00 -2.23 0.00 0.00 60.65 59.37 1qir s ILE 198 Cb 0.00 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 1qir s ILE 198 CO 0.00 0.19 -0.17 -1.81 -1.23 0.00 0.00 174.94 171.92 1qir s ASP 199 N 1.18 2.34 0.56 3.58 1.01 -1.26 -4.43 116.67 119.64 1qir s ASP 199 Ca 0.22 -0.79 -0.19 0.00 0.71 0.00 0.00 52.55 52.50 1qir s ASP 199 Cb -0.15 -0.11 -0.05 0.00 1.01 0.00 0.00 42.92 43.61 1qir s ASP 199 CO 0.09 -0.06 1.14 -2.84 0.21 0.00 0.00 175.17 173.72 1qir s PRO 200 N -2.48 3.26 0.97 8.23 0.02 -1.26 -4.99 135.00 138.74 1qir s PRO 200 Ca 0.10 1.63 -0.12 0.00 0.02 0.00 0.00 61.00 62.63 1qir s PRO 200 Cb -0.07 -1.99 0.17 0.00 0.02 0.00 0.00 34.50 32.63 1qir s PRO 200 CO 0.05 -0.93 1.10 0.95 -0.33 0.00 0.00 177.00 177.84 1qir s THR 201 N -1.78 2.12 0.27 0.99 -4.23 -1.26 -4.79 115.64 106.97 1qir s THR 201 Ca 0.73 0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 61.26 1qir s THR 201 Cb -0.25 -2.60 0.15 0.00 1.34 0.00 0.00 72.50 71.15 1qir s THR 201 CO 0.29 -0.05 1.82 0.25 -0.54 0.00 0.00 174.62 176.38 1qir h LEU 202 N -1.76 0.80 -0.62 4.79 6.46 -1.99 -1.17 115.31 121.82 1qir h LEU 202 Ca -0.53 -0.15 0.05 0.00 -0.12 0.00 0.00 57.88 57.13 1qir h LEU 202 Cb 1.33 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 41.00 1qir h LEU 202 CO 0.58 0.78 0.35 -0.33 -0.62 0.00 0.00 178.44 179.21 1qir h GLU 203 N 0.82 0.64 -0.28 1.25 5.08 -1.99 0.26 114.58 120.37 1qir h GLU 203 Ca 0.18 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1qir h GLU 203 Cb 0.30 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1qir h GLU 203 CO -0.00 0.43 -0.07 1.96 -1.00 0.00 0.00 179.01 180.32 1qir h GLN 204 N 0.66 0.44 -0.52 2.33 4.20 -1.79 -1.01 115.11 119.43 1qir h GLN 204 Ca 0.27 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 1qir h GLN 204 Cb 0.14 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1qir h GLN 204 CO -0.16 0.53 -0.13 -1.49 -0.67 0.00 0.00 178.83 176.91 1qir h TRP 205 N 0.42 1.11 -0.39 2.96 4.06 -0.05 -1.01 115.95 123.05 1qir h TRP 205 Ca 0.09 -0.23 -0.10 0.00 2.06 0.00 0.00 58.89 60.70 1qir h TRP 205 Cb 0.39 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 1qir h TRP 205 CO 0.01 1.04 -0.18 1.96 -3.56 0.00 0.00 178.44 177.71 1qir h GLN 206 N 0.87 0.74 -0.31 0.49 4.20 -0.41 -0.11 115.11 120.58 1qir h GLN 206 Ca 0.13 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1qir h GLN 206 Cb 0.69 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1qir h GLN 206 CO 0.05 0.87 0.17 1.15 -0.67 0.00 0.00 178.83 180.40 1qir h THR 207 N 0.66 1.13 -0.74 -0.54 2.02 -1.02 -1.32 112.91 113.09 1qir h THR 207 Ca 0.10 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1qir h THR 207 Cb 0.66 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1qir h THR 207 CO 0.05 0.13 0.37 -0.07 0.37 0.00 0.00 175.52 176.37 1qir h LEU 208 N 0.38 0.94 -0.63 2.58 3.38 -0.94 -1.13 115.31 119.89 1qir h LEU 208 Ca 0.11 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1qir h LEU 208 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1qir h LEU 208 CO -0.02 0.78 -0.01 0.00 0.09 0.00 0.00 178.44 179.28 1qir h ALA 209 N 1.37 0.84 -0.16 1.53 0.00 -0.54 -1.60 119.26 120.70 1qir h ALA 209 Ca 0.26 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1qir h ALA 209 Cb 0.08 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1qir h ALA 209 CO -0.04 0.67 -0.75 -0.56 0.00 0.00 0.00 179.25 178.58 1qir h GLN 210 N 0.97 0.76 -0.14 0.00 3.07 -0.99 -2.91 115.11 115.87 1qir h GLN 210 Ca 0.17 -0.60 0.02 0.00 0.09 0.00 0.00 58.65 58.32 1qir h GLN 210 Cb 0.57 0.12 -0.02 0.00 0.08 0.00 0.00 27.48 28.24 1qir h GLN 210 CO 0.03 1.22 0.03 1.25 0.09 0.00 0.00 178.83 181.45 1qir h LEU 211 N 0.53 0.02 -1.35 0.06 5.85 -1.08 -1.94 115.31 117.40 1qir h LEU 211 Ca -0.04 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1qir h LEU 211 Cb 1.37 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1qir h LEU 211 CO 0.15 0.04 -0.24 0.77 -0.34 0.00 0.00 178.44 178.82 1qir h SER 212 N 0.10 0.13 0.47 1.25 4.64 -1.34 0.11 113.55 118.90 1qir h SER 212 Ca 0.06 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 1qir h SER 212 Cb 0.05 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1qir h SER 212 CO -0.08 0.38 -0.57 1.62 -0.87 0.00 0.00 176.83 177.32 1qir h VAL 213 N 0.13 1.39 0.14 0.95 3.04 -1.28 -1.55 116.25 119.07 1qir h VAL 213 Ca 0.02 -1.92 -0.25 0.00 -1.01 0.00 0.00 66.70 63.53 1qir h VAL 213 Cb 0.49 2.00 0.03 0.00 -2.01 0.00 0.00 31.29 31.80 1qir h VAL 213 CO 0.03 0.56 -1.08 -0.08 -1.01 0.00 0.00 177.57 175.99 1qir h GLU 214 N 0.08 0.48 -0.00 4.17 4.81 -0.73 -3.28 114.58 120.10 1qir h GLU 214 Ca -0.00 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 1qir h GLU 214 Cb 1.02 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1qir h GLU 214 CO 0.08 1.32 -0.11 1.63 -0.73 0.00 0.00 179.01 181.20 1qir n LYS 215 N -3.94 0.67 -1.68 1.92 4.76 0.31 -4.95 118.16 115.25 1qir n LYS 215 Ca -0.14 -0.23 -0.03 0.00 -2.87 0.00 0.00 58.31 55.04 1qir n LYS 215 Cb 0.92 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.61 1qir n LYS 215 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qir n GLY 216 N 1.29 0.39 3.83 0.72 0.00 -0.65 -3.49 105.19 107.28 1qir n GLY 216 Ca 0.14 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 1qir n GLY 216 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qir s TRP 217 N -2.15 3.38 -0.34 1.61 0.51 -0.79 -0.49 118.94 120.68 1qir s TRP 217 Ca 0.00 1.49 -0.10 0.00 -2.12 0.00 0.00 56.10 55.37 1qir s TRP 217 Cb 0.00 -2.78 0.01 0.00 -0.81 0.00 0.00 33.47 29.89 1qir s TRP 217 CO 0.00 -0.20 0.16 -1.17 -0.51 0.00 0.00 176.95 175.24 1qir s LEU 218 N -3.57 4.34 0.20 2.99 2.96 0.06 -4.79 118.68 120.87 1qir s LEU 218 Ca 0.59 -0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 53.44 1qir s LEU 218 Cb -0.10 -1.99 -0.08 0.00 0.50 0.00 0.00 46.19 44.52 1qir s LEU 218 CO 0.22 -0.28 1.08 -2.84 -1.32 0.00 0.00 176.35 173.22 1qir s PRO 219 N 1.57 4.62 -0.19 0.98 0.02 -1.26 -1.35 135.00 139.39 1qir s PRO 219 Ca 0.03 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1qir s PRO 219 Cb -0.18 -3.27 0.04 0.00 0.02 0.00 0.00 34.50 31.12 1qir s PRO 219 CO 0.06 0.13 -0.08 -1.17 -0.33 0.00 0.00 177.00 175.62 1qir s LEU 220 N -0.60 2.02 -0.17 -5.54 0.20 -0.50 -2.23 118.68 111.86 1qir s LEU 220 Ca 0.48 -0.82 -0.11 0.00 0.69 0.00 0.00 54.13 54.37 1qir s LEU 220 Cb -0.29 -1.09 -0.05 0.00 -0.43 0.00 0.00 46.19 44.33 1qir s LEU 220 CO 0.36 -0.17 0.19 -0.36 -0.29 0.00 0.00 176.35 176.07 1qir s PHE 221 N 1.50 3.45 -0.43 5.38 0.40 -0.47 -0.31 117.98 127.51 1qir s PHE 221 Ca -0.01 0.45 -0.13 0.00 -0.60 0.00 0.00 56.93 56.64 1qir s PHE 221 Cb -0.16 -2.20 0.05 0.00 0.51 0.00 0.00 43.02 41.22 1qir s PHE 221 CO -0.08 0.33 0.31 0.34 0.70 0.00 0.00 175.22 176.82 1qir s ASP 222 N 0.21 5.96 -0.49 1.36 -1.08 0.23 -1.09 116.67 121.76 1qir s ASP 222 Ca 0.12 -1.18 -0.02 0.00 -0.52 0.00 0.00 52.55 50.95 1qir s ASP 222 Cb -0.12 -2.11 0.13 0.00 -1.46 0.00 0.00 42.92 39.36 1qir s ASP 222 CO 0.01 -0.52 0.28 0.12 0.52 0.00 0.00 175.17 175.58 1qir s PHE 223 N 1.59 3.51 -0.24 -5.34 2.19 -0.22 -0.83 117.98 118.64 1qir s PHE 223 Ca 0.04 -2.61 0.03 0.00 0.33 0.00 0.00 56.93 54.71 1qir s PHE 223 Cb -0.22 -3.17 -0.00 0.00 -1.31 0.00 0.00 43.02 38.32 1qir s PHE 223 CO 0.07 -0.91 0.35 0.00 1.83 0.00 0.00 175.22 176.56 1qir n ALA 224 N 4.08 2.42 -2.50 11.12 0.00 -1.26 -1.24 120.51 133.13 1qir n ALA 224 Ca 0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.08 1qir n ALA 224 Cb 0.39 -0.10 0.04 0.00 0.00 0.00 0.00 19.45 19.79 1qir n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qir n TYR 225 N -0.44 1.67 -1.97 0.00 4.01 -1.26 -4.50 117.16 114.67 1qir n TYR 225 Ca 0.01 -2.06 -0.42 0.00 -0.16 0.00 0.00 57.90 55.27 1qir n TYR 225 Cb 0.06 -0.26 -0.03 0.00 -0.31 0.00 0.00 39.34 38.79 1qir n TYR 225 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1qir s GLN 226 N -3.52 4.18 0.00 -0.72 0.74 -1.26 -1.94 119.66 117.15 1qir s GLN 226 Ca 0.36 2.24 0.00 0.00 0.05 0.00 0.00 55.36 58.01 1qir s GLN 226 Cb 0.36 -3.94 0.00 0.00 1.10 0.00 0.00 33.01 30.53 1qir s GLN 226 CO -0.02 -0.83 0.00 0.41 -0.55 0.00 0.00 175.29 174.30 1qir n GLY 227 N 4.14 0.41 0.17 2.59 0.00 -1.26 -4.80 105.19 106.44 1qir n GLY 227 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1qir n GLY 227 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qir n PHE 228 N -1.52 0.00 -0.03 1.61 3.01 -0.82 -4.31 117.46 115.40 1qir n PHE 228 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1qir n PHE 228 Cb 0.00 -0.14 -0.01 0.00 -0.01 0.00 0.00 39.48 39.32 1qir n PHE 228 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qir n ALA 229 N -0.92 0.32 0.00 4.37 0.00 -1.26 -3.97 120.51 119.05 1qir n ALA 229 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1qir n ALA 229 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1qir n ALA 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qir n ARG 230 N -3.22 1.77 0.00 0.00 1.74 -1.26 -4.95 116.66 110.74 1qir n ARG 230 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1qir n ARG 230 Cb 0.19 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 1qir n ARG 230 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qir n GLY 231 N 2.94 1.98 0.18 -0.13 0.00 -1.26 -4.96 105.19 103.94 1qir n GLY 231 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 1qir n GLY 231 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qir h LEU 233 N 0.00 -0.42 -0.38 0.99 3.38 -1.89 0.18 115.31 117.16 1qir h LEU 233 Ca 0.00 0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1qir h LEU 233 Cb 0.00 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1qir h LEU 233 CO 0.00 -0.17 -0.76 -0.33 0.09 0.00 0.00 178.44 177.27 1qir h GLU 234 N -0.12 0.00 -0.00 1.13 4.39 -1.96 -3.25 114.58 114.77 1qir h GLU 234 Ca 0.12 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.59 1qir h GLU 234 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1qir h GLU 234 CO -0.28 0.76 -0.95 0.93 -1.16 0.00 0.00 179.01 178.31 1qir h GLU 235 N 0.00 0.44 0.00 2.33 3.07 -1.85 -3.11 114.58 115.46 1qir h GLU 235 Ca -0.01 -0.48 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1qir h GLU 235 Cb 1.40 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 1qir h GLU 235 CO 0.10 1.13 0.00 -0.25 -1.40 0.00 0.00 179.01 178.59 1qir n ASP 236 N -3.76 0.58 -0.68 1.42 9.92 0.02 -2.63 116.55 121.43 1qir n ASP 236 Ca -0.07 0.60 0.11 0.00 -0.53 0.00 0.00 54.79 54.90 1qir n ASP 236 Cb 0.84 -0.74 0.35 0.00 -0.64 0.00 0.00 41.12 40.93 1qir n ASP 236 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qir n ALA 237 N -1.72 2.50 0.03 2.24 0.00 -1.18 -4.45 120.51 117.93 1qir n ALA 237 Ca 0.04 -0.61 -0.10 0.00 0.00 0.00 0.00 53.44 52.77 1qir n ALA 237 Cb 0.30 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1qir n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1qir h GLU 238 N 2.78 -0.26 -0.25 0.00 5.08 -1.61 -1.21 114.58 119.11 1qir h GLU 238 Ca 0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1qir h GLU 238 Cb 0.61 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1qir h GLU 238 CO 0.00 -0.17 0.06 0.78 -1.00 0.00 0.00 179.01 178.68 1qir h GLY 239 N -0.27 0.29 1.47 -3.84 0.00 -1.85 -0.12 103.07 98.75 1qir h GLY 239 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1qir h GLY 239 CO -0.22 0.01 0.30 -2.00 0.00 0.00 0.00 176.54 174.64 1qir h LEU 240 N 0.17 0.62 -0.14 3.11 5.85 -1.81 -2.04 115.31 121.06 1qir h LEU 240 Ca 0.11 -0.03 -0.22 0.00 0.84 0.00 0.00 57.88 58.58 1qir h LEU 240 Cb 0.10 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1qir h LEU 240 CO -0.14 0.48 -0.98 0.03 -0.34 0.00 0.00 178.44 177.49 1qir h ARG 241 N 0.71 0.23 -0.78 1.25 3.08 -0.93 -0.20 114.38 117.74 1qir h ARG 241 Ca 0.19 -0.29 0.05 0.00 0.07 0.00 0.00 59.98 59.99 1qir h ARG 241 Cb -0.01 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1qir h ARG 241 CO -0.03 1.04 0.48 0.00 -1.07 0.00 0.00 179.97 180.39 1qir h ALA 242 N 0.84 1.04 -0.16 0.04 0.00 -0.58 -1.05 119.26 119.40 1qir h ALA 242 Ca -0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1qir h ALA 242 Cb 1.65 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1qir h ALA 242 CO 0.15 0.23 -0.14 0.74 0.00 0.00 0.00 179.25 180.24 1qir h PHE 243 N 0.90 0.44 -0.43 0.00 -1.00 -1.20 -3.21 116.94 112.44 1qir h PHE 243 Ca 0.33 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 61.00 1qir h PHE 243 Cb 0.11 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 1qir h PHE 243 CO -0.04 0.74 0.28 0.00 -1.61 0.00 0.00 178.31 177.68 1qir h ALA 244 N 0.63 1.77 0.00 2.45 0.00 -0.73 -1.16 119.26 122.22 1qir h ALA 244 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qir h ALA 244 Cb 0.66 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1qir h ALA 244 CO 0.03 0.19 -0.09 0.00 0.00 0.00 0.00 179.25 179.38 1qir h ALA 245 N 1.75 1.25 0.00 0.00 0.00 -1.19 -3.26 119.26 117.80 1qir h ALA 245 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qir h ALA 245 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qir h ALA 245 CO -0.04 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1qir n MET 246 N -3.56 -0.49 -4.15 0.00 0.00 -0.80 -5.04 117.12 103.08 1qir n MET 246 Ca -0.02 -0.40 -0.35 0.00 0.00 0.00 0.00 57.70 56.93 1qir n MET 246 Cb 0.22 -0.84 -0.08 0.00 0.00 0.00 0.00 33.22 32.52 1qir n MET 246 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1qir s HIS 247 N -0.05 3.32 -0.30 3.17 3.76 -0.50 -4.98 115.29 119.71 1qir s HIS 247 Ca 0.00 0.29 0.21 0.00 -0.15 0.00 0.00 55.06 55.41 1qir s HIS 247 Cb 0.00 -1.81 0.13 0.00 1.11 0.00 0.00 32.58 32.01 1qir s HIS 247 CO 0.00 0.57 1.31 0.87 -0.85 0.00 0.00 174.74 176.64 1qir h LYS 248 N 4.77 0.00 -3.88 1.40 1.57 -1.90 -3.46 116.57 115.07 1qir h LYS 248 Ca -0.51 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.08 1qir h LYS 248 Cb 1.20 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.28 1qir h LYS 248 CO 0.58 0.10 -0.70 -1.21 -0.57 0.00 0.00 179.45 177.65 1qir s GLU 249 N -3.20 0.22 -0.24 3.15 2.02 -1.26 -1.86 118.70 117.53 1qir s GLU 249 Ca 0.03 -0.41 -0.33 0.00 0.02 0.00 0.00 54.97 54.28 1qir s GLU 249 Cb 0.07 0.08 0.16 0.00 0.10 0.00 0.00 34.13 34.55 1qir s GLU 249 CO 0.74 -0.04 1.28 -0.48 0.02 0.00 0.00 175.26 176.78 1qir s LEU 250 N -1.01 -0.10 -0.01 1.80 0.05 -0.97 -4.55 118.68 113.90 1qir s LEU 250 Ca -0.11 0.05 0.04 0.00 0.05 0.00 0.00 54.13 54.16 1qir s LEU 250 Cb -0.07 1.24 -0.01 0.00 -2.05 0.00 0.00 46.19 45.31 1qir s LEU 250 CO -0.01 -0.12 -0.13 0.27 -0.55 0.00 0.00 176.35 175.81 1qir s ILE 251 N -1.69 1.02 -0.08 1.48 -5.25 -0.95 -0.96 121.20 114.78 1qir s ILE 251 Ca 0.09 -0.57 0.02 0.00 -0.99 0.00 0.00 60.65 59.19 1qir s ILE 251 Cb -0.01 -0.85 0.01 0.00 2.95 0.00 0.00 42.46 44.56 1qir s ILE 251 CO -0.05 0.27 -0.13 0.54 -1.79 0.00 0.00 174.94 173.79 1qir s VAL 252 N -0.33 1.22 -0.39 8.37 0.11 0.16 -1.36 120.40 128.18 1qir s VAL 252 Ca 0.05 -0.51 -0.08 0.00 -2.93 0.00 0.00 61.98 58.51 1qir s VAL 252 Cb -0.05 -1.12 0.07 0.00 -1.53 0.00 0.00 36.38 33.75 1qir s VAL 252 CO -0.00 0.38 0.20 0.00 -3.33 0.00 0.00 175.10 172.34 1qir s ALA 253 N 0.77 3.20 0.22 1.54 0.00 -0.25 0.00 121.76 127.23 1qir s ALA 253 Ca -0.12 -2.05 0.08 0.00 0.00 0.00 0.00 51.96 49.87 1qir s ALA 253 Cb -0.16 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1qir s ALA 253 CO 0.02 -1.56 0.02 -1.54 0.00 0.00 0.00 175.76 172.70 1qir s SER 254 N 1.85 4.75 0.03 0.00 1.04 0.72 -1.06 113.70 121.03 1qir s SER 254 Ca 0.02 -0.48 0.05 0.00 0.48 0.00 0.00 55.95 56.03 1qir s SER 254 Cb -0.22 -0.98 -0.02 0.00 0.10 0.00 0.00 66.02 64.90 1qir s SER 254 CO 0.02 0.04 -0.16 -0.55 0.98 0.00 0.00 173.24 173.57 1qir s SER 255 N -3.30 1.88 -0.04 7.02 0.15 -0.38 -0.87 113.70 118.17 1qir s SER 255 Ca 0.29 -0.45 0.08 0.00 0.70 0.00 0.00 55.95 56.57 1qir s SER 255 Cb -0.08 -0.14 0.18 0.00 -1.71 0.00 0.00 66.02 64.27 1qir s SER 255 CO 0.20 0.09 1.14 -1.22 1.20 0.00 0.00 173.24 174.64 1qir n TYR 256 N 2.00 0.22 -0.17 3.44 4.01 -0.57 -4.68 117.16 121.42 1qir n TYR 256 Ca -0.17 -0.61 -0.09 0.00 -0.16 0.00 0.00 57.90 56.87 1qir n TYR 256 Cb 0.54 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1qir n TYR 256 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1qir h SER 257 N 0.75 0.69 0.13 7.72 0.02 -1.87 -2.75 113.55 118.25 1qir h SER 257 Ca 0.00 -0.20 -0.33 0.00 -0.84 0.00 0.00 61.79 60.42 1qir h SER 257 Cb 0.73 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1qir h SER 257 CO 0.02 0.70 -1.74 0.11 -1.14 0.00 0.00 176.83 174.79 1qir h LYS 258 N 0.63 0.28 0.00 3.45 6.56 -1.84 -1.63 116.57 124.02 1qir h LYS 258 Ca 0.15 -0.48 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 1qir h LYS 258 Cb 0.26 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 1qir h LYS 258 CO -0.01 1.23 0.00 0.27 -2.06 0.00 0.00 179.45 178.88 1qir n ASN 259 N -3.69 0.19 -0.03 0.86 0.23 -1.25 -3.12 115.26 108.45 1qir n ASN 259 Ca -0.28 0.52 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 1qir n ASN 259 Cb 1.00 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 1qir n ASN 259 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1qir n PHE 260 N -1.69 0.01 -2.32 -2.53 3.01 -1.04 -4.84 117.46 108.06 1qir n PHE 260 Ca 0.06 -0.16 -0.18 0.00 1.01 0.00 0.00 57.45 58.18 1qir n PHE 260 Cb 0.33 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.77 1qir n PHE 260 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qir n GLY 261 N -0.12 -0.27 2.00 1.37 0.00 -1.06 -4.67 105.19 102.44 1qir n GLY 261 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1qir n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qir n LEU 262 N -2.87 6.06 -0.14 0.99 4.77 -0.64 -4.78 117.00 120.39 1qir n LEU 262 Ca -0.21 -3.16 -0.04 0.00 -0.03 0.00 0.00 56.01 52.57 1qir n LEU 262 Cb 0.66 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1qir n LEU 262 CO 0.25 0.81 0.20 -1.22 -1.33 0.00 0.00 177.39 176.10 1qir n TYR 263 N -0.19 -0.14 1.82 -1.77 4.01 -1.11 -0.96 117.16 118.81 1qir n TYR 263 Ca 0.41 0.40 0.13 0.00 -0.16 0.00 0.00 57.90 58.69 1qir n TYR 263 Cb 1.39 -0.46 0.71 0.00 -0.31 0.00 0.00 39.34 40.67 1qir n TYR 263 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1qir n ASN 264 N -4.05 0.46 0.03 7.72 0.23 -1.26 -3.37 115.26 115.02 1qir n ASN 264 Ca 0.01 -1.27 0.12 0.00 -0.53 0.00 0.00 54.58 52.90 1qir n ASN 264 Cb 0.08 -0.01 0.13 0.00 -2.08 0.00 0.00 39.78 37.90 1qir n ASN 264 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1qir n GLU 265 N -0.59 0.20 -2.91 -3.83 -0.58 -0.14 -5.02 120.64 107.78 1qir n GLU 265 Ca 0.20 0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.89 1qir n GLU 265 Cb 0.17 -1.60 0.01 0.00 -0.57 0.00 0.00 31.44 29.45 1qir n GLU 265 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1qir n ARG 266 N -1.87 -2.18 -4.09 3.49 5.12 -1.22 -4.41 116.66 111.50 1qir n ARG 266 Ca 0.03 1.99 -0.32 0.00 -1.93 0.00 0.00 57.85 57.62 1qir n ARG 266 Cb 0.41 -5.57 -0.16 0.00 -1.16 0.00 0.00 32.46 25.98 1qir n ARG 266 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1qir s VAL 267 N -2.65 2.00 0.36 1.55 1.01 -1.26 -2.69 120.40 118.72 1qir s VAL 267 Ca 0.21 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 1qir s VAL 267 Cb -0.06 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.48 1qir s VAL 267 CO 0.77 0.39 0.78 -0.83 0.00 0.00 0.00 175.10 176.21 1qir s GLY 268 N 1.28 0.27 -0.04 4.51 0.00 -0.95 -1.51 107.32 110.88 1qir s GLY 268 Ca 0.02 -0.64 -0.07 0.00 0.00 0.00 0.00 44.72 44.02 1qir s GLY 268 CO -0.11 -0.19 0.17 0.00 0.00 0.00 0.00 173.10 172.98 1qir s ALA 269 N -2.63 -0.42 -0.32 3.20 0.00 -0.05 -0.60 121.76 120.93 1qir s ALA 269 Ca 0.15 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1qir s ALA 269 Cb -0.05 -0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.04 1qir s ALA 269 CO 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 175.76 175.72 1qir s THR 271 N 1.05 4.53 -0.20 0.00 -1.32 0.10 -1.79 115.64 118.01 1qir s THR 271 Ca 0.01 -0.15 -0.03 0.00 -1.21 0.00 0.00 61.69 60.32 1qir s THR 271 Cb -0.20 -2.96 -0.01 0.00 -1.51 0.00 0.00 72.50 67.82 1qir s THR 271 CO -0.05 0.55 -0.06 -0.22 -2.21 0.00 0.00 174.62 172.62 1qir s LEU 272 N -0.39 2.84 -0.05 9.08 2.96 -0.07 -0.66 118.68 132.39 1qir s LEU 272 Ca 0.08 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 1qir s LEU 272 Cb -0.12 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1qir s LEU 272 CO 0.02 0.02 -0.23 0.68 -1.32 0.00 0.00 176.35 175.51 1qir s VAL 273 N 1.26 2.27 0.46 1.68 -7.23 -0.13 -1.06 120.40 117.65 1qir s VAL 273 Ca 0.03 -1.01 0.03 0.00 -1.81 0.00 0.00 61.98 59.22 1qir s VAL 273 Cb -0.14 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 1qir s VAL 273 CO -0.02 0.58 0.10 0.00 -0.31 0.00 0.00 175.10 175.44 1qir s ALA 274 N -0.41 3.48 0.35 1.32 0.00 -0.67 -2.30 121.76 123.54 1qir s ALA 274 Ca 0.04 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1qir s ALA 274 Cb -0.12 0.52 0.65 0.00 0.00 0.00 0.00 23.12 24.17 1qir s ALA 274 CO 0.01 -0.23 2.01 0.00 0.00 0.00 0.00 175.76 177.56 1qir h ALA 275 N 1.56 1.56 -2.87 0.00 0.00 -1.68 -3.44 119.26 114.38 1qir h ALA 275 Ca -0.37 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 1qir h ALA 275 Cb 1.30 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1qir h ALA 275 CO 0.60 0.41 -0.21 0.16 0.00 0.00 0.00 179.25 180.21 1qir s ASP 276 N -6.50 0.59 0.15 0.00 1.47 -1.26 -4.99 116.67 106.13 1qir s ASP 276 Ca -0.10 -1.34 -0.17 0.00 1.18 0.00 0.00 52.55 52.13 1qir s ASP 276 Cb 0.18 0.62 -0.00 0.00 -0.34 0.00 0.00 42.92 43.38 1qir s ASP 276 CO 0.76 -1.22 1.80 -1.28 0.68 0.00 0.00 175.17 175.90 1qir h SER 277 N 2.19 0.43 -0.88 2.11 0.87 -1.73 -2.11 113.55 114.42 1qir h SER 277 Ca -0.28 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1qir h SER 277 Cb 1.24 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.05 1qir h SER 277 CO 0.39 0.33 0.54 -0.08 -0.53 0.00 0.00 176.83 177.48 1qir h GLU 278 N 0.49 1.20 -0.06 2.24 4.22 -1.95 -1.40 114.58 119.33 1qir h GLU 278 Ca 0.13 -0.11 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 1qir h GLU 278 Cb -0.04 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.96 1qir h GLU 278 CO -0.03 0.84 -0.14 1.15 -2.18 0.00 0.00 179.01 178.65 1qir h THR 279 N 1.22 1.43 -0.49 0.32 2.02 -1.95 -2.30 112.91 113.15 1qir h THR 279 Ca 0.32 -1.48 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 1qir h THR 279 Cb -0.06 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1qir h THR 279 CO -0.06 0.41 0.18 1.62 0.37 0.00 0.00 175.52 178.04 1qir h VAL 280 N -0.31 1.19 -0.31 3.16 3.04 -1.23 0.14 116.25 121.93 1qir h VAL 280 Ca -0.00 -0.63 -0.06 0.00 -1.01 0.00 0.00 66.70 65.00 1qir h VAL 280 Cb 0.73 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.63 1qir h VAL 280 CO 0.03 0.24 -0.04 0.44 -1.01 0.00 0.00 177.57 177.23 1qir h ASP 281 N 0.71 0.57 -0.48 3.17 3.32 -1.24 0.28 116.42 122.75 1qir h ASP 281 Ca 0.17 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 1qir h ASP 281 Cb 0.18 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1qir h ASP 281 CO -0.01 0.77 0.07 -0.09 -1.72 0.00 0.00 179.24 178.27 1qir h ARG 282 N 0.35 0.86 -0.11 3.56 2.43 -0.94 -1.58 114.38 118.95 1qir h ARG 282 Ca 0.08 -0.20 -0.14 0.00 -0.81 0.00 0.00 59.98 58.91 1qir h ARG 282 Cb 0.51 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1qir h ARG 282 CO 0.02 0.81 -0.54 0.00 -1.51 0.00 0.00 179.97 178.75 1qir h ALA 283 N 1.27 0.88 -0.04 2.80 0.00 -0.75 -3.05 119.26 120.35 1qir h ALA 283 Ca 0.17 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1qir h ALA 283 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qir h ALA 283 CO 0.01 0.68 -0.52 0.35 0.00 0.00 0.00 179.25 179.78 1qir h PHE 284 N 0.25 0.15 -0.26 0.00 3.57 0.29 -2.42 116.94 118.50 1qir h PHE 284 Ca 0.00 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1qir h PHE 284 Cb 1.03 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1qir h PHE 284 CO 0.03 0.61 0.12 0.66 -2.23 0.00 0.00 178.31 177.50 1qir h SER 285 N 0.09 0.32 0.69 0.41 4.64 -1.20 -0.23 113.55 118.27 1qir h SER 285 Ca 0.00 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.09 1qir h SER 285 Cb 0.95 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1qir h SER 285 CO 0.07 0.28 -0.95 1.56 -0.87 0.00 0.00 176.83 176.92 1qir h GLN 286 N 0.36 0.15 -0.66 4.77 1.08 -1.51 -2.34 115.11 116.97 1qir h GLN 286 Ca 0.09 -0.20 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 1qir h GLN 286 Cb 0.05 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1qir h GLN 286 CO -0.01 0.99 0.12 1.98 -0.95 0.00 0.00 178.83 180.95 1qir h MET 287 N 0.07 1.08 -0.46 1.46 4.05 -1.00 -1.96 114.93 118.17 1qir h MET 287 Ca -0.05 -0.29 -0.06 0.00 -0.28 0.00 0.00 59.70 59.02 1qir h MET 287 Cb 1.62 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 32.27 1qir h MET 287 CO 0.14 0.99 0.03 0.87 0.23 0.00 0.00 176.91 179.17 1qir h LYS 288 N 1.01 0.73 -0.39 0.39 1.57 -1.01 -1.72 116.57 117.15 1qir h LYS 288 Ca 0.20 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1qir h LYS 288 Cb 0.43 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1qir h LYS 288 CO 0.01 0.73 -0.06 0.00 -0.57 0.00 0.00 179.45 179.55 1qir h ALA 289 N 1.34 1.16 -0.34 3.86 0.00 -1.16 -1.30 119.26 122.82 1qir h ALA 289 Ca 0.14 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1qir h ALA 289 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1qir h ALA 289 CO 0.01 0.54 -0.14 0.00 0.00 0.00 0.00 179.25 179.66 1qir h ALA 290 N 1.32 1.12 -0.15 0.00 0.00 -0.64 -2.53 119.26 118.38 1qir h ALA 290 Ca 0.12 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1qir h ALA 290 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1qir h ALA 290 CO 0.03 0.55 -0.27 0.82 0.00 0.00 0.00 179.25 180.37 1qir h ILE 291 N 0.54 1.36 -0.86 0.00 2.04 -0.99 -3.06 117.51 116.54 1qir h ILE 291 Ca 0.09 -1.52 0.10 0.00 1.00 0.00 0.00 64.86 64.53 1qir h ILE 291 Cb 0.56 1.98 -0.06 0.00 -0.74 0.00 0.00 36.82 38.57 1qir h ILE 291 CO 0.04 0.45 0.55 -0.09 0.00 0.00 0.00 178.15 179.10 1qir h ARG 292 N 0.06 0.79 -0.04 2.37 9.65 -1.13 -0.69 114.38 125.38 1qir h ARG 292 Ca 0.01 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1qir h ARG 292 Cb 0.86 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1qir h ARG 292 CO 0.06 0.52 0.00 0.00 2.80 0.00 0.00 179.97 183.35 1qir n ALA 293 N -2.42 2.60 -0.92 2.80 0.00 -0.96 -3.47 120.51 118.14 1qir n ALA 293 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1qir n ALA 293 Cb 0.33 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1qir n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qir n ASN 294 N -0.35 0.00 -0.04 0.00 2.85 -0.36 -4.93 115.26 112.42 1qir n ASN 294 Ca 0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 1qir n ASN 294 Cb 0.21 -0.02 0.01 0.00 1.24 0.00 0.00 39.78 41.21 1qir n ASN 294 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qir n TYR 295 N -1.38 0.03 0.00 1.20 0.18 -0.82 -5.06 117.16 111.31 1qir n TYR 295 Ca 0.00 -0.38 0.00 0.00 1.88 0.00 0.00 57.90 59.40 1qir n TYR 295 Cb 0.00 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 38.92 1qir n TYR 295 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1qir n SER 296 N -0.31 0.00 -3.71 9.48 2.88 -0.62 -4.78 113.62 116.56 1qir n SER 296 Ca 0.01 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.43 1qir n SER 296 Cb 0.20 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.60 1qir n SER 296 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1qir s ASN 297 N 0.00 -0.18 0.56 -3.46 4.22 -1.26 -4.13 114.94 110.69 1qir s ASN 297 Ca 0.00 -0.17 -0.10 0.00 -2.14 0.00 0.00 52.86 50.45 1qir s ASN 297 Cb 0.00 0.39 -0.05 0.00 1.28 0.00 0.00 41.25 42.88 1qir s ASN 297 CO 0.00 -0.67 0.94 -2.16 -2.04 0.00 0.00 177.10 173.18 1qir s PRO 298 N -2.75 3.65 0.04 3.55 0.04 -1.26 -5.02 135.00 133.25 1qir s PRO 298 Ca -0.04 0.62 -0.31 0.00 0.04 0.00 0.00 61.00 61.32 1qir s PRO 298 Cb -0.00 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 1qir s PRO 298 CO -0.04 -0.40 1.40 -1.25 0.04 0.00 0.00 177.00 176.74 1qir s PRO 299 N -4.82 4.30 0.12 0.56 0.04 -1.26 -4.79 135.00 129.15 1qir s PRO 299 Ca 0.53 2.00 -0.13 0.00 0.04 0.00 0.00 61.00 63.44 1qir s PRO 299 Cb -0.11 -3.46 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 1qir s PRO 299 CO 0.47 -0.52 1.47 0.00 0.04 0.00 0.00 177.00 178.46 1qir h ALA 300 N 7.48 0.51 -0.17 8.56 0.00 -1.95 -3.39 119.26 130.30 1qir h ALA 300 Ca -0.40 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.13 1qir h ALA 300 Cb 1.19 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1qir h ALA 300 CO 0.89 0.52 -0.15 1.25 0.00 0.00 0.00 179.25 181.76 1qir h HIS 301 N 0.60 -0.47 -0.93 0.00 -0.00 -1.92 0.11 115.15 112.54 1qir h HIS 301 Ca 0.07 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.51 1qir h HIS 301 Cb 0.84 0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 28.42 1qir h HIS 301 CO 0.06 -0.12 0.61 0.78 -0.00 0.00 0.00 177.93 179.27 1qir h GLY 302 N -0.06 1.35 1.85 5.26 0.00 -1.78 -1.85 103.07 107.84 1qir h GLY 302 Ca 0.03 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 1qir h GLY 302 CO -0.19 0.38 -0.67 0.00 0.00 0.00 0.00 176.54 176.06 1qir h ALA 303 N 1.46 0.82 0.00 3.60 0.00 -1.67 -1.34 119.26 122.13 1qir h ALA 303 Ca 0.38 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1qir h ALA 303 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1qir h ALA 303 CO -0.12 0.79 -0.69 0.66 0.00 0.00 0.00 179.25 179.89 1qir h SER 304 N 0.10 0.00 0.00 0.00 4.64 -0.77 -0.03 113.55 117.50 1qir h SER 304 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1qir h SER 304 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1qir h SER 304 CO 0.10 0.69 -0.00 0.58 -0.87 0.00 0.00 176.83 177.33 1qir h VAL 305 N 0.00 1.06 -0.73 0.95 2.07 -1.02 -0.07 116.25 118.51 1qir h VAL 305 Ca -0.01 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1qir h VAL 305 Cb 1.31 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1qir h VAL 305 CO 0.09 0.05 0.35 0.58 0.02 0.00 0.00 177.57 178.66 1qir h VAL 306 N -0.09 1.24 -0.51 2.57 2.07 -1.15 -1.45 116.25 118.93 1qir h VAL 306 Ca -0.00 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1qir h VAL 306 Cb 0.09 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1qir h VAL 306 CO 0.00 0.28 0.18 0.00 0.02 0.00 0.00 177.57 178.05 1qir h ALA 307 N 1.17 0.66 -0.20 1.67 0.00 -0.85 -1.18 119.26 120.54 1qir h ALA 307 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qir h ALA 307 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1qir h ALA 307 CO -0.03 0.30 0.13 1.15 0.00 0.00 0.00 179.25 180.80 1qir h THR 308 N 0.69 1.07 -0.38 0.00 2.02 -0.72 0.19 112.91 115.77 1qir h THR 308 Ca 0.17 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 1qir h THR 308 Cb 0.24 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1qir h THR 308 CO -0.01 0.06 0.04 0.40 0.37 0.00 0.00 175.52 176.38 1qir h ILE 309 N 0.26 1.25 0.00 3.11 2.04 -1.22 -1.99 117.51 120.96 1qir h ILE 309 Ca 0.07 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 1qir h ILE 309 Cb -0.00 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1qir h ILE 309 CO -0.01 0.31 -0.42 -0.07 0.00 0.00 0.00 178.15 177.96 1qir h LEU 310 N 0.48 0.00 0.00 1.44 4.07 -1.02 -2.93 115.31 117.35 1qir h LEU 310 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1qir h LEU 310 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1qir h LEU 310 CO 0.01 0.42 -0.50 0.28 -1.08 0.00 0.00 178.44 177.57 1qir h SER 311 N 0.00 0.00 -3.66 -0.43 0.02 -0.82 -3.45 113.55 105.21 1qir h SER 311 Ca -0.00 -0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.31 1qir h SER 311 Cb 0.76 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.13 1qir h SER 311 CO 0.05 0.00 -0.55 0.21 -1.14 0.00 0.00 176.83 175.41 1qir s ASN 312 N -5.76 5.75 0.23 3.07 2.47 -0.76 -5.01 114.94 114.92 1qir s ASN 312 Ca 0.03 -0.02 -0.07 0.00 0.42 0.00 0.00 52.86 53.22 1qir s ASN 312 Cb 0.07 -2.04 0.28 0.00 -1.45 0.00 0.00 41.25 38.11 1qir s ASN 312 CO 0.73 0.02 1.85 0.44 -3.72 0.00 0.00 177.10 176.41 1qir h ASP 313 N 7.86 0.78 -0.13 -4.21 3.32 -1.87 0.41 116.42 122.58 1qir h ASP 313 Ca -0.37 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.62 1qir h ASP 313 Cb 1.18 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1qir h ASP 313 CO 0.61 0.51 -0.20 0.00 -1.72 0.00 0.00 179.24 178.44 1qir h ALA 314 N 1.37 0.20 -0.41 3.45 0.00 -1.95 -2.15 119.26 119.76 1qir h ALA 314 Ca 0.34 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1qir h ALA 314 Cb 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1qir h ALA 314 CO -0.15 0.13 0.07 1.25 0.00 0.00 0.00 179.25 180.55 1qir h LEU 315 N -0.05 0.57 -0.28 0.00 5.85 -1.80 -2.11 115.31 117.49 1qir h LEU 315 Ca 0.01 -0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.44 1qir h LEU 315 Cb 0.77 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1qir h LEU 315 CO 0.05 0.60 -0.57 -0.09 -0.34 0.00 0.00 178.44 178.08 1qir h ARG 316 N 0.60 0.88 -0.57 1.25 2.43 -0.73 -2.22 114.38 116.01 1qir h ARG 316 Ca 0.13 -0.57 0.03 0.00 -0.81 0.00 0.00 59.98 58.76 1qir h ARG 316 Cb 0.28 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1qir h ARG 316 CO 0.00 1.21 0.34 0.00 -1.51 0.00 0.00 179.97 180.01 1qir h ALA 317 N 0.67 0.74 -0.34 2.80 0.00 -1.04 -0.72 119.26 121.37 1qir h ALA 317 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1qir h ALA 317 Cb 1.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1qir h ALA 317 CO 0.13 0.07 0.08 0.82 0.00 0.00 0.00 179.25 180.35 1qir h ILE 318 N 0.68 1.22 -0.24 0.00 2.04 -1.34 -2.87 117.51 116.99 1qir h ILE 318 Ca 0.23 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1qir h ILE 318 Cb 0.03 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1qir h ILE 318 CO -0.10 0.25 0.12 -0.25 0.00 0.00 0.00 178.15 178.17 1qir h TRP 319 N 0.39 0.34 -0.39 1.37 7.01 -1.07 -1.54 115.95 122.06 1qir h TRP 319 Ca 0.11 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.16 1qir h TRP 319 Cb 0.30 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 1qir h TRP 319 CO 0.02 0.32 0.27 0.93 -2.79 0.00 0.00 178.44 177.19 1qir h GLU 320 N 0.26 0.23 0.02 2.65 5.08 -1.14 0.17 114.58 121.86 1qir h GLU 320 Ca 0.08 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.18 1qir h GLU 320 Cb 0.10 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1qir h GLU 320 CO -0.01 0.16 -1.02 0.37 -1.00 0.00 0.00 179.01 177.50 1qir h GLN 321 N 0.24 0.48 -0.33 2.33 5.75 -1.20 -0.95 115.11 121.43 1qir h GLN 321 Ca 0.18 -0.55 -0.08 0.00 -0.15 0.00 0.00 58.65 58.04 1qir h GLN 321 Cb 0.39 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 1qir h GLN 321 CO -0.03 1.19 -0.13 0.93 -2.65 0.00 0.00 178.83 178.13 1qir h GLU 322 N 0.26 0.59 -0.17 1.69 5.08 -0.10 0.98 114.58 122.89 1qir h GLU 322 Ca -0.11 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 57.91 1qir h GLU 322 Cb 1.67 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 1qir h GLU 322 CO 0.18 0.71 -0.57 1.25 -1.00 0.00 0.00 179.01 179.57 1qir h LEU 323 N 0.54 0.61 -1.11 1.33 5.85 -0.72 -1.86 115.31 119.95 1qir h LEU 323 Ca 0.09 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1qir h LEU 323 Cb 0.54 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1qir h LEU 323 CO 0.03 1.05 -0.12 0.74 -0.34 0.00 0.00 178.44 179.81 1qir h THR 324 N 0.41 1.23 -0.35 1.05 2.02 -0.37 -1.66 112.91 115.24 1qir h THR 324 Ca 0.00 -0.99 -0.13 0.00 0.77 0.00 0.00 66.41 66.05 1qir h THR 324 Cb 1.12 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1qir h THR 324 CO 0.11 0.32 -0.31 0.44 0.37 0.00 0.00 175.52 176.46 1qir h ASP 325 N 0.45 0.88 0.03 4.18 3.32 -0.60 -1.79 116.42 122.88 1qir h ASP 325 Ca 0.08 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1qir h ASP 325 Cb 0.48 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1qir h ASP 325 CO 0.03 1.15 -0.04 0.24 -1.72 0.00 0.00 179.24 178.90 1qir h MET 326 N 0.61 -0.09 0.17 3.56 2.86 -0.93 -1.07 114.93 120.05 1qir h MET 326 Ca 0.06 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1qir h MET 326 Cb 0.89 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1qir h MET 326 CO 0.08 -0.06 -0.23 -0.09 1.06 0.00 0.00 176.91 177.67 1qir h ARG 327 N -0.09 -0.45 -0.38 1.72 2.43 -1.31 -2.19 114.38 114.11 1qir h ARG 327 Ca 0.01 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1qir h ARG 327 Cb 0.09 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1qir h ARG 327 CO -0.02 -0.30 0.10 1.96 -1.51 0.00 0.00 179.97 180.20 1qir h GLN 328 N -0.47 0.55 -0.50 0.20 4.20 -1.22 -1.94 115.11 115.93 1qir h GLN 328 Ca 0.01 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1qir h GLN 328 Cb 0.46 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1qir h GLN 328 CO -0.10 0.50 -0.09 -0.09 -0.67 0.00 0.00 178.83 178.38 1qir h ARG 329 N 0.54 0.90 -0.60 1.46 2.43 -0.97 -1.89 114.38 116.24 1qir h ARG 329 Ca 0.13 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 58.94 1qir h ARG 329 Cb 0.20 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1qir h ARG 329 CO -0.00 0.95 0.20 0.82 -1.51 0.00 0.00 179.97 180.42 1qir h ILE 330 N 0.81 1.24 -0.68 1.20 2.04 -0.73 -1.80 117.51 119.59 1qir h ILE 330 Ca 0.13 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1qir h ILE 330 Cb 0.61 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1qir h ILE 330 CO 0.04 0.31 0.43 1.56 0.00 0.00 0.00 178.15 180.49 1qir h GLN 331 N 0.86 0.91 -0.36 2.37 4.20 -1.16 -0.75 115.11 121.17 1qir h GLN 331 Ca 0.20 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 1qir h GLN 331 Cb 0.28 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1qir h GLN 331 CO -0.01 0.62 -0.28 0.00 -0.67 0.00 0.00 178.83 178.49 1qir h ARG 332 N 0.93 0.75 -0.13 1.46 3.08 -1.01 -3.09 114.38 116.37 1qir h ARG 332 Ca 0.25 -0.33 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1qir h ARG 332 Cb -0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1qir h ARG 332 CO -0.05 0.94 -0.54 0.52 -1.07 0.00 0.00 179.97 179.77 1qir h MET 333 N 0.64 0.38 0.34 0.04 2.86 -0.33 -2.00 114.93 116.86 1qir h MET 333 Ca 0.08 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1qir h MET 333 Cb 0.79 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 1qir h MET 333 CO 0.07 0.82 -0.19 0.00 1.06 0.00 0.00 176.91 178.67 1qir h ARG 334 N 0.29 -0.48 -0.36 1.72 3.08 -1.17 -0.63 114.38 116.83 1qir h ARG 334 Ca 0.01 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.14 1qir h ARG 334 Cb 1.04 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.16 1qir h ARG 334 CO 0.09 -0.32 0.08 0.37 -1.07 0.00 0.00 179.97 179.12 1qir h GLN 335 N -0.50 0.20 -0.87 0.04 4.15 -1.52 -1.34 115.11 115.27 1qir h GLN 335 Ca -0.04 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.42 1qir h GLN 335 Cb 0.40 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 1qir h GLN 335 CO 0.06 0.13 0.54 1.25 -1.93 0.00 0.00 178.83 178.88 1qir h LEU 336 N 0.21 0.87 0.15 -2.39 7.12 -1.27 -1.47 115.31 118.53 1qir h LEU 336 Ca 0.17 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 1qir h LEU 336 Cb 0.18 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1qir h LEU 336 CO -0.21 0.57 -0.07 0.15 -0.13 0.00 0.00 178.44 178.74 1qir h PHE 337 N 1.01 -0.19 -0.31 1.25 3.57 -0.38 -0.23 116.94 121.66 1qir h PHE 337 Ca 0.37 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.79 1qir h PHE 337 Cb 0.13 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1qir h PHE 337 CO -0.03 -0.00 -0.12 -0.39 -2.23 0.00 0.00 178.31 175.54 1qir h VAL 338 N -0.35 1.23 -0.08 1.41 -1.51 -1.10 -0.20 116.25 115.65 1qir h VAL 338 Ca -0.02 -1.04 -0.03 0.00 -1.23 0.00 0.00 66.70 64.38 1qir h VAL 338 Cb 0.28 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1qir h VAL 338 CO 0.03 0.34 -0.07 0.78 -1.23 0.00 0.00 177.57 177.43 1qir h ASN 339 N 0.49 0.20 0.15 4.19 -0.26 -1.20 -2.58 115.58 116.57 1qir h ASN 339 Ca 0.09 -0.46 -0.07 0.00 -0.56 0.00 0.00 56.30 55.30 1qir h ASN 339 Cb 0.51 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 1qir h ASN 339 CO 0.03 0.62 -0.25 0.74 -1.06 0.00 0.00 177.43 177.52 1qir h THR 340 N -0.22 1.22 -0.56 2.81 2.02 -0.92 -0.54 112.91 116.72 1qir h THR 340 Ca 0.01 -1.04 -0.05 0.00 0.77 0.00 0.00 66.41 66.10 1qir h THR 340 Cb 0.56 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1qir h THR 340 CO 0.02 0.31 0.16 -0.07 0.37 0.00 0.00 175.52 176.31 1qir h LEU 341 N 0.16 0.84 -0.23 2.58 3.38 -0.95 0.48 115.31 121.56 1qir h LEU 341 Ca 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1qir h LEU 341 Cb 0.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1qir h LEU 341 CO 0.04 0.84 0.12 1.56 0.09 0.00 0.00 178.44 181.08 1qir h GLN 342 N 0.79 0.33 0.00 1.13 4.20 -0.98 -0.99 115.11 119.59 1qir h GLN 342 Ca 0.18 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1qir h GLN 342 Cb 0.31 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1qir h GLN 342 CO -0.00 0.32 -0.23 0.93 -0.67 0.00 0.00 178.83 179.18 1qir h GLU 343 N 0.25 0.00 -0.17 1.46 5.08 -0.86 -2.90 114.58 117.44 1qir h GLU 343 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1qir h GLU 343 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1qir h GLU 343 CO -0.01 0.23 0.00 1.63 -1.00 0.00 0.00 179.01 179.86 1qir n LYS 344 N -3.80 1.62 -0.52 2.33 4.01 0.14 -4.92 118.16 117.01 1qir n LYS 344 Ca -0.02 -0.93 0.00 0.00 -0.51 0.00 0.00 58.31 56.85 1qir n LYS 344 Cb 0.33 -1.34 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 1qir n LYS 344 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1qir n GLY 345 N 1.04 0.73 3.58 0.72 0.00 -1.10 -4.92 105.19 105.25 1qir n GLY 345 Ca 0.14 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1qir n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qir s ALA 346 N -2.00 2.86 -1.90 4.61 0.00 -0.41 -4.83 121.76 120.09 1qir s ALA 346 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1qir s ALA 346 Cb 0.00 -4.05 0.05 0.00 0.00 0.00 0.00 23.12 19.12 1qir s ALA 346 CO 0.00 -2.78 1.00 0.27 0.00 0.00 0.00 175.76 174.26 1qir n ASN 347 N 9.53 0.42 -4.66 0.00 6.94 -1.26 -4.46 115.26 121.77 1qir n ASN 347 Ca 0.15 -2.01 -0.32 0.00 -0.02 0.00 0.00 54.58 52.39 1qir n ASN 347 Cb 0.49 -0.09 -0.09 0.00 -2.36 0.00 0.00 39.78 37.73 1qir n ASN 347 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1qir s ARG 348 N -1.84 2.64 -0.48 -3.83 3.00 -1.26 -5.06 118.95 112.11 1qir s ARG 348 Ca 0.04 -0.72 -0.26 0.00 -1.00 0.00 0.00 55.73 53.79 1qir s ARG 348 Cb 0.02 -2.58 0.03 0.00 0.00 0.00 0.00 34.95 32.42 1qir s ARG 348 CO 0.03 0.59 0.98 0.34 0.00 0.00 0.00 175.30 177.23 1qir s ASP 349 N -1.80 6.50 -0.14 -2.12 2.15 -1.26 -4.88 116.67 115.12 1qir s ASP 349 Ca 0.21 0.12 0.16 0.00 0.43 0.00 0.00 52.55 53.48 1qir s ASP 349 Cb -0.11 -2.47 0.72 0.00 -0.30 0.00 0.00 42.92 40.75 1qir s ASP 349 CO 0.12 -1.13 1.62 0.49 -0.17 0.00 0.00 175.17 176.10 1qir n PHE 350 N 7.40 1.58 0.30 -5.34 3.72 -1.26 -4.59 117.46 119.26 1qir n PHE 350 Ca 0.07 -0.60 0.13 0.00 -0.05 0.00 0.00 57.45 56.99 1qir n PHE 350 Cb 0.48 -0.30 0.59 0.00 -0.94 0.00 0.00 39.48 39.31 1qir n PHE 350 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1qir h SER 351 N 3.91 0.00 0.16 4.37 0.02 -1.92 -1.55 113.55 118.54 1qir h SER 351 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1qir h SER 351 Cb 1.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.07 1qir h SER 351 CO 0.29 0.00 -0.07 2.19 -1.14 0.00 0.00 176.83 178.10 1qir h PHE 352 N 0.00 0.00 -0.47 3.45 -5.15 -1.98 -1.84 116.94 110.96 1qir h PHE 352 Ca 0.00 0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.84 1qir h PHE 352 Cb 0.22 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.37 1qir h PHE 352 CO 0.00 0.07 0.32 0.82 -2.00 0.00 0.00 178.31 177.52 1qir h ILE 353 N 0.00 0.95 0.00 0.88 2.04 -1.66 -0.61 117.51 119.11 1qir h ILE 353 Ca -0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1qir h ILE 353 Cb 0.17 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1qir h ILE 353 CO 0.01 0.07 -0.07 0.40 0.00 0.00 0.00 178.15 178.56 1qir h ILE 354 N 0.36 0.35 -0.00 -0.67 1.08 -1.53 -2.91 117.51 114.19 1qir h ILE 354 Ca 0.21 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1qir h ILE 354 Cb 0.36 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1qir h ILE 354 CO -0.05 0.07 -0.32 0.29 -0.69 0.00 0.00 178.15 177.45 1qir n LYS 355 N -3.44 0.56 -3.07 2.37 5.02 -0.24 -4.92 118.16 114.45 1qir n LYS 355 Ca -0.02 -0.32 -0.31 0.00 -2.02 0.00 0.00 58.31 55.65 1qir n LYS 355 Cb 0.21 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1qir n LYS 355 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1qir s GLN 356 N -2.66 3.81 0.13 1.97 -0.21 -1.10 -4.91 119.66 116.69 1qir s GLN 356 Ca 0.20 0.41 0.06 0.00 0.02 0.00 0.00 55.36 56.06 1qir s GLN 356 Cb 0.19 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 1qir s GLN 356 CO 0.57 0.09 -0.03 -0.80 -2.12 0.00 0.00 175.29 173.01 1qir s ASN 357 N -2.86 4.77 0.00 5.90 0.02 -0.63 -5.03 114.94 117.11 1qir s ASN 357 Ca 0.50 -0.32 0.00 0.00 -1.02 0.00 0.00 52.86 52.03 1qir s ASN 357 Cb -0.10 -1.03 0.00 0.00 0.02 0.00 0.00 41.25 40.13 1qir s ASN 357 CO 0.27 0.14 0.00 0.61 0.02 0.00 0.00 177.10 178.14 1qir n GLY 358 N 0.33 -1.80 0.12 0.66 0.00 -1.25 -4.43 105.19 98.81 1qir n GLY 358 Ca -0.11 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.18 1qir n GLY 358 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qir h MET 359 N 0.00 0.00 -5.47 1.61 2.86 -1.94 -3.47 114.93 108.52 1qir h MET 359 Ca 0.00 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 56.99 1qir h MET 359 Cb 0.00 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.42 1qir h MET 359 CO 0.00 0.00 -0.73 -0.06 1.06 0.00 0.00 176.91 177.18 1qir s PHE 360 N -3.18 2.89 -0.24 -0.22 0.08 -1.26 -0.32 117.98 115.72 1qir s PHE 360 Ca 0.07 -0.42 -0.08 0.00 0.12 0.00 0.00 56.93 56.62 1qir s PHE 360 Cb 0.10 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1qir s PHE 360 CO 0.67 -0.07 0.08 0.45 -0.10 0.00 0.00 175.22 176.26 1qir s SER 361 N 0.16 5.34 -0.76 1.36 0.15 -0.88 -4.20 113.70 114.86 1qir s SER 361 Ca -0.05 -0.13 -0.20 0.00 0.70 0.00 0.00 55.95 56.27 1qir s SER 361 Cb -0.14 -1.96 0.10 0.00 -1.71 0.00 0.00 66.02 62.31 1qir s SER 361 CO 0.04 0.00 0.99 0.12 1.20 0.00 0.00 173.24 175.59 1qir s PHE 362 N 1.40 2.91 0.50 3.44 5.36 -1.26 -0.81 117.98 129.52 1qir s PHE 362 Ca 0.06 -0.97 0.19 0.00 -0.96 0.00 0.00 56.93 55.25 1qir s PHE 362 Cb -0.15 -4.24 1.29 0.00 -0.34 0.00 0.00 43.02 39.58 1qir s PHE 362 CO 0.04 -1.52 2.11 0.66 -1.46 0.00 0.00 175.22 175.04 1qir h SER 363 N 9.20 0.00 0.00 6.13 4.64 -1.58 -3.47 113.55 128.46 1qir h SER 363 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1qir h SER 363 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1qir h SER 363 CO 1.13 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 1qir n GLY 364 N -1.23 0.48 3.84 -0.77 0.00 -1.26 -5.04 105.19 101.22 1qir n GLY 364 Ca -0.03 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1qir n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qir s LEU 365 N 0.00 4.34 0.74 0.99 1.02 -1.26 -5.07 118.68 119.44 1qir s LEU 365 Ca 0.00 1.13 -0.11 0.00 0.02 0.00 0.00 54.13 55.17 1qir s LEU 365 Cb 0.00 -3.32 0.04 0.00 0.02 0.00 0.00 46.19 42.93 1qir s LEU 365 CO 0.00 0.09 1.08 0.42 0.02 0.00 0.00 176.35 177.96 1qir s THR 366 N -1.47 3.54 0.52 5.49 -4.23 -1.26 -4.34 115.64 113.88 1qir s THR 366 Ca 0.39 0.50 0.18 0.00 -1.18 0.00 0.00 61.69 61.57 1qir s THR 366 Cb -0.15 -3.28 0.30 0.00 1.34 0.00 0.00 72.50 70.70 1qir s THR 366 CO 0.19 -0.65 2.12 0.07 -0.54 0.00 0.00 174.62 175.81 1qir h LYS 367 N -0.87 0.00 0.01 3.99 2.10 -1.95 -0.81 116.57 119.04 1qir h LYS 367 Ca -0.45 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 57.99 1qir h LYS 367 Cb 1.24 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 1qir h LYS 367 CO 0.59 0.00 -0.95 0.93 -2.00 0.00 0.00 179.45 178.02 1qir h GLU 368 N 0.00 0.06 -0.24 0.07 3.07 -1.92 -0.82 114.58 114.80 1qir h GLU 368 Ca 0.05 -0.08 -0.13 0.00 -0.50 0.00 0.00 59.36 58.70 1qir h GLU 368 Cb 0.22 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1qir h GLU 368 CO -0.00 0.96 -0.34 1.96 -1.40 0.00 0.00 179.01 180.19 1qir h GLN 369 N 0.02 0.65 -0.91 2.33 4.20 -1.65 -0.88 115.11 118.87 1qir h GLN 369 Ca -0.03 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 1qir h GLN 369 Cb 1.66 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.43 1qir h GLN 369 CO 0.13 1.00 0.51 0.28 -0.67 0.00 0.00 178.83 180.08 1qir h VAL 370 N 0.36 1.26 -0.43 -0.54 2.07 -1.14 -0.31 116.25 117.53 1qir h VAL 370 Ca 0.03 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1qir h VAL 370 Cb 0.93 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1qir h VAL 370 CO 0.08 0.29 0.14 -0.07 0.02 0.00 0.00 177.57 178.03 1qir h LEU 371 N 1.27 0.61 -0.63 2.57 -0.00 -1.05 -3.02 115.31 115.06 1qir h LEU 371 Ca 0.32 -0.19 -0.07 0.00 -0.00 0.00 0.00 57.88 57.93 1qir h LEU 371 Cb 0.01 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.48 1qir h LEU 371 CO -0.05 0.64 0.10 -0.09 -0.00 0.00 0.00 178.44 179.04 1qir h ARG 372 N 0.55 1.04 -0.73 1.13 1.12 -0.63 -1.55 114.38 115.31 1qir h ARG 372 Ca 0.14 -0.28 0.05 0.00 -1.11 0.00 0.00 59.98 58.78 1qir h ARG 372 Cb 0.24 -0.12 -0.05 0.00 -0.01 0.00 0.00 29.97 30.03 1qir h ARG 372 CO -0.01 0.97 0.44 -0.07 -3.11 0.00 0.00 179.97 178.19 1qir h LEU 373 N 0.95 0.68 0.11 3.80 3.38 -0.99 0.28 115.31 123.53 1qir h LEU 373 Ca 0.19 0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.91 1qir h LEU 373 Cb 0.43 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1qir h LEU 373 CO 0.01 0.45 -1.25 -0.09 0.09 0.00 0.00 178.44 177.65 1qir h ARG 374 N 0.82 0.24 0.09 1.13 1.12 -1.32 -0.11 114.38 116.34 1qir h ARG 374 Ca 0.31 -0.41 -0.25 0.00 -1.11 0.00 0.00 59.98 58.52 1qir h ARG 374 Cb 0.13 0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 30.24 1qir h ARG 374 CO -0.15 1.18 -1.14 1.49 -3.11 0.00 0.00 179.97 178.24 1qir h GLU 375 N 0.07 0.24 0.00 0.20 4.81 -1.12 -1.49 114.58 117.29 1qir h GLU 375 Ca -0.14 -0.38 -0.15 0.00 -0.13 0.00 0.00 59.36 58.57 1qir h GLU 375 Cb 1.96 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 31.45 1qir h GLU 375 CO 0.19 1.15 -1.92 -1.91 -0.73 0.00 0.00 179.01 175.80 1qir n GLU 376 N -3.55 1.04 0.00 1.92 2.13 0.96 -4.69 120.64 118.44 1qir n GLU 376 Ca -0.07 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1qir n GLU 376 Cb 0.97 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 31.29 1qir n GLU 376 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1qir n PHE 377 N -2.34 0.00 -1.40 4.31 3.01 -0.45 -5.02 117.46 115.57 1qir n PHE 377 Ca -0.15 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.17 1qir n PHE 377 Cb 0.74 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.15 1qir n PHE 377 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qir n GLY 378 N 0.17 1.34 3.69 1.37 0.00 -0.18 -4.75 105.19 106.83 1qir n GLY 378 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1qir n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qir s VAL 379 N -2.26 5.17 -0.31 1.61 1.01 -0.67 -0.76 120.40 124.19 1qir s VAL 379 Ca 0.00 0.86 -0.07 0.00 0.00 0.00 0.00 61.98 62.78 1qir s VAL 379 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1qir s VAL 379 CO 0.00 0.26 0.08 -0.31 0.00 0.00 0.00 175.10 175.13 1qir s TYR 380 N 1.15 3.17 0.24 5.22 1.51 0.91 -2.23 117.35 127.32 1qir s TYR 380 Ca 0.23 -1.11 0.07 0.00 -1.01 0.00 0.00 57.07 55.25 1qir s TYR 380 Cb -0.15 -2.26 -0.05 0.00 -0.11 0.00 0.00 41.96 39.39 1qir s TYR 380 CO 0.09 -0.62 -0.09 0.00 -1.11 0.00 0.00 175.55 173.82 1qir s ALA 381 N 1.47 2.14 0.39 3.71 0.00 -1.26 -0.21 121.76 128.00 1qir s ALA 381 Ca 0.01 -1.78 -0.25 0.00 0.00 0.00 0.00 51.96 49.94 1qir s ALA 381 Cb -0.18 0.10 -0.09 0.00 0.00 0.00 0.00 23.12 22.96 1qir s ALA 381 CO 0.02 -0.03 1.14 0.08 0.00 0.00 0.00 175.76 176.97 1qir s VAL 382 N -3.04 3.29 0.62 0.00 1.01 -0.95 -4.89 120.40 116.44 1qir s VAL 382 Ca 0.26 1.08 0.28 0.00 0.00 0.00 0.00 61.98 63.60 1qir s VAL 382 Cb 0.02 -3.60 0.34 0.00 0.00 0.00 0.00 36.38 33.13 1qir s VAL 382 CO 0.09 0.09 1.84 0.00 0.00 0.00 0.00 175.10 177.13 1qir h ALA 383 N 2.70 1.90 0.00 5.51 0.00 -1.90 0.92 119.26 128.40 1qir h ALA 383 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1qir h ALA 383 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1qir h ALA 383 CO 0.63 -0.63 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1qir n SER 384 N -3.35 0.16 0.00 0.00 3.41 -1.26 -4.19 113.62 108.40 1qir n SER 384 Ca 0.05 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1qir n SER 384 Cb 0.61 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1qir n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qir n GLY 385 N 0.13 0.63 3.69 5.00 0.00 0.32 -4.71 105.19 110.25 1qir n GLY 385 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1qir n GLY 385 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qir s ARG 386 N -0.83 4.35 0.08 1.61 3.52 -1.24 -1.44 118.95 125.00 1qir s ARG 386 Ca 0.00 1.77 0.09 0.00 -0.13 0.00 0.00 55.73 57.46 1qir s ARG 386 Cb 0.00 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 1qir s ARG 386 CO 0.00 -0.45 -0.21 0.14 -0.81 0.00 0.00 175.30 173.97 1qir s VAL 387 N 2.04 2.59 -0.51 7.11 -7.23 0.01 -2.23 120.40 122.18 1qir s VAL 387 Ca 0.59 -1.40 -0.19 0.00 -1.81 0.00 0.00 61.98 59.16 1qir s VAL 387 Cb -0.27 -2.11 0.06 0.00 0.56 0.00 0.00 36.38 34.61 1qir s VAL 387 CO 0.25 0.24 0.64 0.21 -0.31 0.00 0.00 175.10 176.13 1qir s ASN 388 N -1.68 6.23 0.33 4.85 2.47 -0.00 -2.08 114.94 125.06 1qir s ASN 388 Ca 0.15 -0.89 0.10 0.00 0.42 0.00 0.00 52.86 52.63 1qir s ASN 388 Cb -0.10 -2.30 0.57 0.00 -1.45 0.00 0.00 41.25 37.97 1qir s ASN 388 CO 0.06 -0.91 1.76 0.58 -3.72 0.00 0.00 177.10 174.87 1qir h VAL 389 N 5.87 1.30 0.00 -5.21 2.07 -1.01 -2.64 116.25 116.63 1qir h VAL 389 Ca -0.27 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1qir h VAL 389 Cb 1.09 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1qir h VAL 389 CO 0.97 0.42 0.00 0.00 0.02 0.00 0.00 177.57 178.98 1qir n ALA 390 N -2.47 1.53 1.36 1.67 0.00 -1.23 -1.51 120.51 119.86 1qir n ALA 390 Ca -0.02 0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.67 1qir n ALA 390 Cb 0.45 -1.37 0.47 0.00 0.00 0.00 0.00 19.45 19.00 1qir n ALA 390 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qir n GLY 391 N -0.27 -0.50 3.82 0.00 0.00 -0.99 -2.24 105.19 105.01 1qir n GLY 391 Ca 0.01 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1qir n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qir s MET 392 N -2.34 4.03 0.13 1.61 -1.94 -0.57 -4.87 119.30 115.34 1qir s MET 392 Ca 0.30 0.54 0.02 0.00 -1.71 0.00 0.00 55.69 54.84 1qir s MET 392 Cb 0.20 -3.23 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 1qir s MET 392 CO 0.46 0.67 -0.06 0.95 -0.01 0.00 0.00 175.02 177.02 1qir s THR 393 N -1.07 0.80 0.02 2.05 -4.23 -1.26 -4.95 115.64 106.99 1qir s THR 393 Ca 0.26 -1.97 0.30 0.00 -1.18 0.00 0.00 61.69 59.10 1qir s THR 393 Cb -0.18 -1.83 0.32 0.00 1.34 0.00 0.00 72.50 72.15 1qir s THR 393 CO 0.16 -0.75 1.92 -0.65 -0.54 0.00 0.00 174.62 174.76 1qir h PRO 394 N 2.86 0.00 0.13 3.99 0.11 -1.98 -0.02 132.00 137.09 1qir h PRO 394 Ca -0.36 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.47 1qir h PRO 394 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1qir h PRO 394 CO 0.64 0.00 -1.32 -0.44 -0.21 0.00 0.00 178.00 176.67 1qir h ASP 395 N 0.00 0.45 -0.01 -2.05 3.32 -1.96 -3.33 116.42 112.83 1qir h ASP 395 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1qir h ASP 395 Cb 0.17 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1qir h ASP 395 CO 0.00 1.40 -0.37 -0.46 -1.72 0.00 0.00 179.24 178.09 1qir n ASN 396 N -3.53 2.20 -0.28 6.45 2.04 -0.72 -4.56 115.26 116.87 1qir n ASN 396 Ca -0.11 -1.60 -0.03 0.00 -0.44 0.00 0.00 54.58 52.41 1qir n ASN 396 Cb 1.03 0.36 0.09 0.00 -2.53 0.00 0.00 39.78 38.74 1qir n ASN 396 CO 0.00 0.00 0.00 -0.03 -0.44 0.00 0.00 177.26 176.79 1qir h MET 397 N 2.89 0.93 0.23 -3.83 4.05 -1.14 -2.63 114.93 115.43 1qir h MET 397 Ca 0.00 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1qir h MET 397 Cb 0.80 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1qir h MET 397 CO 0.00 0.62 -0.11 0.00 0.23 0.00 0.00 176.91 177.64 1qir h ALA 398 N 1.32 -0.32 0.00 0.39 0.00 -1.80 -1.29 119.26 117.56 1qir h ALA 398 Ca 0.31 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1qir h ALA 398 Cb 0.01 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1qir h ALA 398 CO -0.11 -0.50 -0.16 -1.00 0.00 0.00 0.00 179.25 177.48 1qir h PRO 399 N -0.67 0.00 -0.04 0.00 0.13 -1.85 -0.60 132.00 128.97 1qir h PRO 399 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1qir h PRO 399 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1qir h PRO 399 CO 0.05 0.16 -0.07 1.25 -0.23 0.00 0.00 178.00 179.16 1qir h LEU 400 N 0.00 0.13 -1.53 1.56 5.85 -1.50 -2.18 115.31 117.64 1qir h LEU 400 Ca -0.00 -0.56 -0.05 0.00 0.84 0.00 0.00 57.88 58.11 1qir h LEU 400 Cb 0.30 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1qir h LEU 400 CO 0.02 0.66 -0.25 0.00 -0.34 0.00 0.00 178.44 178.54 1qir h GLU 402 N 0.00 0.59 -0.31 0.00 5.08 -1.11 -1.72 114.58 117.11 1qir h GLU 402 Ca -0.00 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1qir h GLU 402 Cb 0.47 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1qir h GLU 402 CO 0.03 0.97 -0.05 0.00 -1.00 0.00 0.00 179.01 178.97 1qir h ALA 403 N 0.96 0.43 0.31 3.43 0.00 -0.71 -2.71 119.26 120.96 1qir h ALA 403 Ca 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1qir h ALA 403 Cb 1.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1qir h ALA 403 CO 0.10 0.23 -0.15 0.82 0.00 0.00 0.00 179.25 180.25 1qir h ILE 404 N 0.37 0.72 0.00 0.00 2.04 -1.17 -2.72 117.51 116.74 1qir h ILE 404 Ca 0.08 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1qir h ILE 404 Cb 0.52 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1qir h ILE 404 CO 0.03 0.06 -0.00 -0.37 0.00 0.00 0.00 178.15 177.86 1qir h VAL 405 N -0.56 0.01 0.00 1.67 -1.51 -1.35 -0.82 116.25 113.69 1qir h VAL 405 Ca -0.04 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1qir h VAL 405 Cb 0.41 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1qir h VAL 405 CO 0.07 0.00 -0.06 0.00 -1.23 0.00 0.00 177.57 176.35 1qir n ALA 407 N -2.08 2.36 0.71 5.19 0.00 -1.02 -3.39 120.51 122.28 1qir n ALA 407 Ca -0.03 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.44 1qir n ALA 407 Cb 0.09 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.12 1qir n ALA 407 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qir n VAL 408 N -2.17 0.00 1.64 0.00 0.24 -0.33 -5.10 118.33 112.61 1qir n VAL 408 Ca 0.05 -0.38 0.13 0.00 -2.04 0.00 0.00 64.34 62.11 1qir n VAL 408 Cb 0.42 1.23 0.78 0.00 -1.47 0.00 0.00 33.84 34.80 1qir n VAL 408 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87