#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir6 h LYS 2 N 0.00 0.00 -0.22 -1.46 1.57 -2.07 -2.39 116.57 112.00 3ir6 h LYS 2 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3ir6 h LYS 2 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3ir6 h LYS 2 CO 0.00 0.33 -0.66 0.35 -0.57 0.00 0.00 179.45 178.90 3ir6 h PHE 3 N 0.00 1.09 0.00 -1.35 3.57 -2.07 -2.93 116.94 115.24 3ir6 h PHE 3 Ca -0.00 -0.43 -0.04 0.00 3.53 0.00 0.00 57.97 61.03 3ir6 h PHE 3 Cb 0.90 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3ir6 h PHE 3 CO 0.00 1.27 -0.18 -0.07 -2.23 0.00 0.00 178.31 177.10 3ir6 h LEU 4 N 0.61 0.00 -0.99 0.59 3.38 -1.98 -3.06 115.31 113.87 3ir6 h LEU 4 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3ir6 h LEU 4 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3ir6 h LEU 4 CO 0.14 0.18 -0.10 0.44 0.09 0.00 0.00 178.44 179.19 3ir6 h ASP 5 N 0.00 0.60 -0.45 -0.43 3.45 -1.24 -3.05 116.42 115.30 3ir6 h ASP 5 Ca -0.00 -0.16 0.09 0.00 0.43 0.00 0.00 57.03 57.39 3ir6 h ASP 5 Cb 0.75 -0.16 -0.08 0.00 -0.56 0.00 0.00 39.33 39.28 3ir6 h ASP 5 CO 0.02 0.74 -0.07 0.03 -1.57 0.00 0.00 179.24 178.39 3ir6 h ARG 6 N 0.57 0.04 -0.05 3.56 3.08 -1.52 -0.25 114.38 119.80 3ir6 h ARG 6 Ca 0.10 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3ir6 h ARG 6 Cb 0.51 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3ir6 h ARG 6 CO 0.03 0.02 0.00 1.19 -1.07 0.00 0.00 179.97 180.14 3ir6 n PHE 7 N -5.29 0.00 -4.30 3.04 3.72 -1.15 -5.13 117.46 108.35 3ir6 n PHE 7 Ca 0.04 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.28 3ir6 n PHE 7 Cb 0.24 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.68 3ir6 n PHE 7 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3ir6 s ARG 8 N -1.50 1.25 0.00 -1.08 1.81 -0.11 -5.15 118.95 114.17 3ir6 s ARG 8 Ca 0.00 -1.62 0.00 0.00 -1.72 0.00 0.00 55.73 52.39 3ir6 s ARG 8 Cb 0.00 -0.50 0.00 0.00 -0.45 0.00 0.00 34.95 34.00 3ir6 s ARG 8 CO 0.00 -0.10 0.00 0.00 -0.68 0.00 0.00 175.30 174.52 3ir6 n GLN 12 N -0.35 0.00 -3.08 3.54 -0.00 -1.26 -5.07 117.38 111.16 3ir6 n GLN 12 Ca -0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.51 3ir6 n GLN 12 Cb 0.63 0.00 -0.06 0.00 -0.00 0.00 0.00 30.24 30.81 3ir6 n GLN 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3ir6 s LYS 13 N 0.00 3.22 0.00 2.61 1.02 -1.26 -1.44 119.74 123.90 3ir6 s LYS 13 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.43 3ir6 s LYS 13 Cb 0.00 -4.02 0.00 0.00 -0.52 0.00 0.00 37.83 33.29 3ir6 s LYS 13 CO 0.00 -1.17 0.00 0.41 -0.92 0.00 0.00 175.35 173.67 3ir6 n GLY 14 N 5.10 0.10 3.79 -3.33 0.00 0.04 -4.95 105.19 105.95 3ir6 n GLY 14 Ca -0.03 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 3ir6 n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ir6 s GLU 15 N 0.00 2.83 0.40 1.61 2.02 -1.25 -4.68 118.70 119.63 3ir6 s GLU 15 Ca 0.00 1.15 0.07 0.00 0.02 0.00 0.00 54.97 56.20 3ir6 s GLU 15 Cb 0.00 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.26 3ir6 s GLU 15 CO 0.00 -1.19 0.55 0.95 0.02 0.00 0.00 175.26 175.59 3ir6 s THR 16 N -2.74 3.43 0.26 3.63 -4.23 -1.26 -0.09 115.64 114.64 3ir6 s THR 16 Ca 0.62 -0.95 -0.08 0.00 -1.18 0.00 0.00 61.69 60.09 3ir6 s THR 16 Cb -0.16 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.49 3ir6 s THR 16 CO 0.48 -0.07 0.41 0.72 -0.54 0.00 0.00 174.62 175.62 3ir6 s PHE 17 N -2.32 0.67 -1.39 3.99 -0.12 -0.86 -4.85 117.98 113.10 3ir6 s PHE 17 Ca 0.51 -0.98 -0.04 0.00 -0.05 0.00 0.00 56.93 56.37 3ir6 s PHE 17 Cb -0.10 -0.01 0.03 0.00 -0.63 0.00 0.00 43.02 42.31 3ir6 s PHE 17 CO 0.33 -0.96 0.75 0.00 -0.05 0.00 0.00 175.22 175.28 3ir6 n ALA 18 N -0.40 -1.80 -3.71 1.99 0.00 -1.26 -1.41 120.51 113.92 3ir6 n ALA 18 Ca -0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 3ir6 n ALA 18 Cb 0.63 -2.62 0.05 0.00 0.00 0.00 0.00 19.45 17.50 3ir6 n ALA 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ir6 n ASP 19 N -2.98 -2.95 -0.12 0.00 8.00 -1.26 -1.69 116.55 115.55 3ir6 n ASP 19 Ca -0.20 -0.74 -0.02 0.00 0.71 0.00 0.00 54.79 54.54 3ir6 n ASP 19 Cb 0.63 -4.30 -0.01 0.00 -0.02 0.00 0.00 41.12 37.43 3ir6 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ir6 n GLY 20 N -1.60 0.50 0.15 0.44 0.00 -0.99 -4.85 105.19 98.84 3ir6 n GLY 20 Ca -0.17 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.68 3ir6 n GLY 20 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ir6 h HIS 21 N 0.00 0.00 -3.36 1.61 6.17 -0.93 -3.48 115.15 115.17 3ir6 h HIS 21 Ca -0.03 0.00 -0.40 0.00 0.71 0.00 0.00 60.37 60.65 3ir6 h HIS 21 Cb 0.27 0.00 -0.14 0.00 2.52 0.00 0.00 27.41 30.06 3ir6 h HIS 21 CO 0.15 0.12 -0.62 0.20 0.71 0.00 0.00 177.93 178.49 3ir6 s GLY 22 N -4.38 1.85 -0.17 5.26 0.00 -0.50 -5.00 107.32 104.38 3ir6 s GLY 22 Ca 0.02 -1.94 -0.06 0.00 0.00 0.00 0.00 44.72 42.74 3ir6 s GLY 22 CO 0.75 -1.69 0.36 1.62 0.00 0.00 0.00 173.10 174.14 3ir6 s GLN 23 N -3.96 0.26 -0.21 2.90 2.00 -1.26 -2.04 119.66 117.35 3ir6 s GLN 23 Ca 0.36 0.91 -0.25 0.00 -2.00 0.00 0.00 55.36 54.39 3ir6 s GLN 23 Cb 0.08 0.17 -0.01 0.00 0.80 0.00 0.00 33.01 34.05 3ir6 s GLN 23 CO 0.14 -0.27 0.83 -1.17 -0.50 0.00 0.00 175.29 174.31 3ir6 s LEU 24 N 2.54 4.12 -0.10 3.68 2.96 0.88 -4.98 118.68 127.77 3ir6 s LEU 24 Ca -0.00 1.09 -0.03 0.00 -0.22 0.00 0.00 54.13 54.97 3ir6 s LEU 24 Cb -0.12 -3.20 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 3ir6 s LEU 24 CO -0.11 -0.46 0.03 -0.76 -1.32 0.00 0.00 176.35 173.73 3ir6 s LEU 25 N 2.54 3.76 -0.90 -0.68 1.43 -1.26 -0.78 118.68 122.79 3ir6 s LEU 25 Ca 0.36 0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.58 3ir6 s LEU 25 Cb -0.16 -1.88 0.23 0.00 0.03 0.00 0.00 46.19 44.41 3ir6 s LEU 25 CO 0.09 0.36 0.82 0.20 0.23 0.00 0.00 176.35 178.06 3ir6 s ASN 26 N -0.77 6.51 0.19 2.29 0.01 -0.52 -4.86 114.94 117.80 3ir6 s ASN 26 Ca 0.12 -3.23 0.03 0.00 -0.71 0.00 0.00 52.86 49.08 3ir6 s ASN 26 Cb -0.12 -2.08 -0.05 0.00 0.41 0.00 0.00 41.25 39.41 3ir6 s ASN 26 CO 0.02 -0.36 -0.03 0.28 -1.51 0.00 0.00 177.10 175.50 3ir6 s THR 27 N -0.66 1.01 0.34 1.60 -1.32 -1.26 -4.83 115.64 110.52 3ir6 s THR 27 Ca 0.24 -2.03 -0.28 0.00 -1.21 0.00 0.00 61.69 58.40 3ir6 s THR 27 Cb -0.11 -2.15 -0.12 0.00 -1.51 0.00 0.00 72.50 68.61 3ir6 s THR 27 CO -0.09 -0.48 1.36 -3.20 -2.21 0.00 0.00 174.62 170.01 3ir6 n ASN 28 N -0.32 3.10 -0.30 8.08 2.85 -1.26 -4.96 115.26 122.46 3ir6 n ASN 28 Ca -0.07 1.21 0.03 0.00 -0.11 0.00 0.00 54.58 55.64 3ir6 n ASN 28 Cb 0.63 -1.52 0.04 0.00 1.24 0.00 0.00 39.78 40.16 3ir6 n ASN 28 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3ir6 n ARG 29 N 0.66 0.53 0.28 1.20 1.74 -1.26 -4.86 116.66 114.96 3ir6 n ARG 29 Ca 0.04 -1.43 0.18 0.00 -0.77 0.00 0.00 57.85 55.88 3ir6 n ARG 29 Cb 0.37 -0.81 0.97 0.00 -1.02 0.00 0.00 32.46 31.96 3ir6 n ARG 29 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3ir6 h ASP 30 N 0.00 0.00 0.09 0.55 3.32 -2.05 -1.63 116.42 116.70 3ir6 h ASP 30 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ir6 h ASP 30 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 3ir6 h ASP 30 CO 0.00 0.00 -0.02 4.11 -1.72 0.00 0.00 179.24 181.61 3ir6 h TRP 31 N 0.00 0.00 0.00 4.55 5.08 -2.03 -1.18 115.95 122.38 3ir6 h TRP 31 Ca 0.03 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.00 3ir6 h TRP 31 Cb 0.23 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.39 3ir6 h TRP 31 CO 0.00 0.02 -0.00 0.93 -1.28 0.00 0.00 178.44 178.10 3ir6 h GLU 32 N 0.00 0.00 -0.48 0.12 5.08 -1.71 -1.82 114.58 115.78 3ir6 h GLU 32 Ca -0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3ir6 h GLU 32 Cb 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3ir6 h GLU 32 CO 0.00 0.00 0.32 -0.44 -1.00 0.00 0.00 179.01 177.90 3ir6 h ASP 33 N 0.00 0.27 -0.67 1.42 3.32 -1.43 -2.97 116.42 116.36 3ir6 h ASP 33 Ca -0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 3ir6 h ASP 33 Cb 0.03 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 39.40 3ir6 h ASP 33 CO 0.00 0.17 -0.42 1.23 -1.72 0.00 0.00 179.24 178.51 3ir6 h GLY 34 N 0.31 -0.33 2.00 2.75 0.00 -1.55 0.23 103.07 106.48 3ir6 h GLY 34 Ca 0.22 0.54 -0.09 0.00 0.00 0.00 0.00 47.33 48.00 3ir6 h GLY 34 CO -0.05 -0.16 -0.43 -0.97 0.00 0.00 0.00 176.54 174.93 3ir6 h TYR 35 N -0.17 0.00 -0.44 5.60 -1.99 -1.75 -3.02 116.97 115.19 3ir6 h TYR 35 Ca 0.21 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.83 3ir6 h TYR 35 Cb 0.56 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 3ir6 h TYR 35 CO -0.74 0.43 -0.19 0.00 -0.00 0.00 0.00 178.16 177.66 3ir6 h ARG 36 N 0.00 0.87 0.00 4.88 3.08 -1.09 -2.63 114.38 119.49 3ir6 h ARG 36 Ca -0.00 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 3ir6 h ARG 36 Cb 1.04 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 3ir6 h ARG 36 CO 0.06 0.99 -0.00 0.37 -1.07 0.00 0.00 179.97 180.31 3ir6 h GLN 37 N 0.76 0.00 0.19 0.04 5.75 -0.50 -2.56 115.11 118.79 3ir6 h GLN 37 Ca 0.11 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.32 3ir6 h GLN 37 Cb 0.73 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.30 3ir6 h GLN 37 CO 0.06 0.00 -1.33 -0.09 -2.65 0.00 0.00 178.83 174.82 3ir6 h ARG 38 N 0.00 0.39 -0.50 1.69 9.65 -1.44 -3.35 114.38 120.83 3ir6 h ARG 38 Ca -0.00 -0.67 -0.07 0.00 -1.10 0.00 0.00 59.98 58.14 3ir6 h ARG 38 Cb 0.41 0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 29.22 3ir6 h ARG 38 CO 0.00 1.32 0.03 2.35 2.80 0.00 0.00 179.97 186.48 3ir6 h TRP 39 N -0.09 0.85 -3.84 2.20 2.91 -1.24 -3.44 115.95 113.30 3ir6 h TRP 39 Ca -0.25 -0.11 -0.53 0.00 1.13 0.00 0.00 58.89 59.13 3ir6 h TRP 39 Cb 1.93 -0.24 0.10 0.00 -0.51 0.00 0.00 29.16 30.44 3ir6 h TRP 39 CO 0.14 0.77 0.77 -0.65 -1.03 0.00 0.00 178.44 178.44 3ir6 s GLN 40 N -5.04 4.16 0.14 2.65 -0.21 -0.99 -5.02 119.66 115.35 3ir6 s GLN 40 Ca -0.10 2.51 0.02 0.00 0.02 0.00 0.00 55.36 57.81 3ir6 s GLN 40 Cb 0.15 -3.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 3ir6 s GLN 40 CO 0.81 -0.49 -0.04 -3.38 -2.12 0.00 0.00 175.29 170.08 3ir6 s HIS 41 N -0.94 1.09 0.32 0.91 -3.43 -1.26 -4.96 115.29 107.02 3ir6 s HIS 41 Ca 0.54 -0.95 0.17 0.00 -0.80 0.00 0.00 55.06 54.02 3ir6 s HIS 41 Cb -0.45 -0.62 0.85 0.00 -1.43 0.00 0.00 32.58 30.92 3ir6 s HIS 41 CO 0.59 -0.16 1.84 -0.44 -2.00 0.00 0.00 174.74 174.58 3ir6 h ASP 42 N 2.81 0.00 0.00 7.38 3.45 -0.64 -3.48 116.42 125.94 3ir6 h ASP 42 Ca -0.36 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.10 3ir6 h ASP 42 Cb 1.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 3ir6 h ASP 42 CO 0.64 0.33 0.00 2.29 -1.57 0.00 0.00 179.24 180.92 3ir6 n LYS 43 N -3.84 -2.98 -4.01 3.56 2.85 -1.21 -4.99 118.16 107.54 3ir6 n LYS 43 Ca -0.01 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.12 3ir6 n LYS 43 Cb 0.41 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.65 3ir6 n LYS 43 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3ir6 s ILE 44 N -2.27 0.22 0.03 0.58 1.01 -1.26 -2.54 121.20 116.98 3ir6 s ILE 44 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3ir6 s ILE 44 Cb 0.00 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 3ir6 s ILE 44 CO 0.00 -0.08 -0.13 -0.69 0.00 0.00 0.00 174.94 174.04 3ir6 s VAL 45 N -0.43 1.03 -0.16 2.92 1.01 -0.35 -4.90 120.40 119.52 3ir6 s VAL 45 Ca -0.03 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 3ir6 s VAL 45 Cb -0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3ir6 s VAL 45 CO -0.00 0.04 0.42 -0.60 0.00 0.00 0.00 175.10 174.96 3ir6 s ARG 46 N -0.95 4.26 0.18 2.72 3.52 -1.26 0.93 118.95 128.35 3ir6 s ARG 46 Ca 0.02 0.30 -0.24 0.00 -0.13 0.00 0.00 55.73 55.67 3ir6 s ARG 46 Cb -0.07 -3.47 0.05 0.00 -1.56 0.00 0.00 34.95 29.90 3ir6 s ARG 46 CO 0.01 0.09 0.91 0.45 -0.81 0.00 0.00 175.30 175.95 3ir6 s SER 47 N 0.75 -0.19 0.00 -2.12 0.15 -0.32 -3.47 113.70 108.49 3ir6 s SER 47 Ca 0.22 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.41 3ir6 s SER 47 Cb -0.15 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 3ir6 s SER 47 CO 0.08 -1.00 0.00 1.07 1.20 0.00 0.00 173.24 174.59 3ir6 n THR 48 N -0.47 0.00 -1.96 6.45 5.66 -1.24 0.64 114.28 123.36 3ir6 n THR 48 Ca -0.06 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.53 3ir6 n THR 48 Cb 0.60 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.38 3ir6 n THR 48 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 3ir6 n SER 56 N 0.00 6.07 -3.66 1.09 2.88 -1.26 -5.00 113.62 113.74 3ir6 n SER 56 Ca 0.00 -2.98 -0.21 0.00 -1.33 0.00 0.00 58.87 54.36 3ir6 n SER 56 Cb 0.00 -1.50 -0.18 0.00 -0.75 0.00 0.00 64.21 61.78 3ir6 n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ir6 s SER 58 N 2.17 6.55 0.12 0.00 0.15 -1.26 -4.94 113.70 116.49 3ir6 s SER 58 Ca 0.04 2.52 0.09 0.00 0.70 0.00 0.00 55.95 59.30 3ir6 s SER 58 Cb -0.13 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 3ir6 s SER 58 CO -0.04 -0.96 -0.15 0.26 1.20 0.00 0.00 173.24 173.55 3ir6 s TRP 59 N 3.47 2.59 -0.24 3.44 0.52 0.21 -1.15 118.94 127.78 3ir6 s TRP 59 Ca 0.79 -0.23 -0.14 0.00 0.02 0.00 0.00 56.10 56.53 3ir6 s TRP 59 Cb -0.40 -1.36 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 3ir6 s TRP 59 CO 0.35 0.41 0.34 0.15 0.02 0.00 0.00 176.95 178.22 3ir6 s LYS 60 N -2.25 4.07 -0.14 4.98 1.02 0.17 -1.18 119.74 126.42 3ir6 s LYS 60 Ca 0.20 0.04 -0.18 0.00 0.02 0.00 0.00 55.97 56.04 3ir6 s LYS 60 Cb -0.10 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 3ir6 s LYS 60 CO 0.12 -0.15 0.49 0.42 -0.92 0.00 0.00 175.35 175.31 3ir6 s ILE 61 N 1.66 5.16 -0.27 2.17 -1.09 0.26 -2.37 121.20 126.73 3ir6 s ILE 61 Ca 0.15 0.96 -0.10 0.00 -2.23 0.00 0.00 60.65 59.43 3ir6 s ILE 61 Cb -0.15 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 3ir6 s ILE 61 CO 0.09 0.28 0.14 -0.31 -1.23 0.00 0.00 174.94 173.91 3ir6 s TYR 62 N 0.93 3.16 -0.01 3.97 2.02 -0.59 -1.21 117.35 125.62 3ir6 s TYR 62 Ca 0.25 -0.16 -0.02 0.00 -0.37 0.00 0.00 57.07 56.77 3ir6 s TYR 62 Cb -0.15 -2.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.04 3ir6 s TYR 62 CO 0.10 -0.27 0.14 0.08 -1.57 0.00 0.00 175.55 174.03 3ir6 s VAL 63 N 1.69 5.14 -0.23 0.71 1.01 -1.05 -1.73 120.40 125.95 3ir6 s VAL 63 Ca 0.07 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 3ir6 s VAL 63 Cb -0.16 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 32.92 3ir6 s VAL 63 CO 0.08 0.36 0.56 -0.75 0.00 0.00 0.00 175.10 175.35 3ir6 s LYS 64 N -1.79 0.59 -1.88 2.72 2.20 0.89 0.18 119.74 122.65 3ir6 s LYS 64 Ca 0.25 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 3ir6 s LYS 64 Cb -0.12 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 3ir6 s LYS 64 CO 0.16 -0.14 0.00 0.09 -0.36 0.00 0.00 175.35 175.10 3ir6 n ASN 65 N 3.91 -5.85 0.00 1.43 4.13 -1.26 -1.16 115.26 116.46 3ir6 n ASN 65 Ca -0.20 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.15 3ir6 n ASN 65 Cb 0.57 -4.92 0.00 0.00 -1.54 0.00 0.00 39.78 33.89 3ir6 n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ir6 n GLY 66 N -0.90 0.37 3.30 7.41 0.00 -1.26 -5.00 105.19 109.11 3ir6 n GLY 66 Ca -0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 3ir6 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ir6 s LEU 67 N 0.00 2.30 -0.15 0.99 1.43 -0.31 -5.07 118.68 117.87 3ir6 s LEU 67 Ca 0.00 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.11 3ir6 s LEU 67 Cb 0.00 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 3ir6 s LEU 67 CO 0.00 0.08 1.32 -0.69 0.23 0.00 0.00 176.35 177.29 3ir6 s VAL 68 N -1.16 4.18 -0.15 -1.59 1.01 -1.26 -0.08 120.40 121.35 3ir6 s VAL 68 Ca 0.08 1.42 0.06 0.00 0.00 0.00 0.00 61.98 63.54 3ir6 s VAL 68 Cb -0.10 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.23 3ir6 s VAL 68 CO 0.05 -0.13 -0.05 0.35 0.00 0.00 0.00 175.10 175.31 3ir6 n THR 69 N 5.40 0.92 -3.85 3.92 -2.24 -0.70 -4.94 114.28 112.78 3ir6 n THR 69 Ca 0.14 -0.46 -0.06 0.00 -2.27 0.00 0.00 64.05 61.41 3ir6 n THR 69 Cb 0.45 -0.88 0.03 0.00 -2.10 0.00 0.00 70.33 67.82 3ir6 n THR 69 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 3ir6 n TRP 70 N -2.74 -1.86 -3.88 4.78 2.14 -1.24 -4.96 117.44 109.68 3ir6 n TRP 70 Ca -0.25 -1.56 -0.10 0.00 2.07 0.00 0.00 57.50 57.65 3ir6 n TRP 70 Cb 0.87 0.77 -0.09 0.00 -0.81 0.00 0.00 31.31 32.05 3ir6 n TRP 70 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 3ir6 s GLU 71 N -2.07 0.67 0.10 -2.67 1.03 -1.26 -1.54 118.70 112.96 3ir6 s GLU 71 Ca 0.19 -0.71 -0.04 0.00 0.03 0.00 0.00 54.97 54.44 3ir6 s GLU 71 Cb -0.04 0.27 -0.02 0.00 -0.80 0.00 0.00 34.13 33.54 3ir6 s GLU 71 CO 0.09 -0.19 0.10 0.95 -1.33 0.00 0.00 175.26 174.88 3ir6 s THR 72 N -2.71 0.15 0.38 1.83 -4.23 -1.00 -4.96 115.64 105.09 3ir6 s THR 72 Ca -0.04 -1.60 -0.26 0.00 -1.18 0.00 0.00 61.69 58.62 3ir6 s THR 72 Cb -0.00 -1.65 -0.09 0.00 1.34 0.00 0.00 72.50 72.10 3ir6 s THR 72 CO -0.05 -0.67 1.11 -1.10 -0.54 0.00 0.00 174.62 173.37 3ir6 s GLN 73 N -3.94 4.20 0.15 3.99 1.11 -1.26 0.44 119.66 124.35 3ir6 s GLN 73 Ca 0.12 1.71 -0.27 0.00 0.01 0.00 0.00 55.36 56.93 3ir6 s GLN 73 Cb 0.06 -2.72 -0.07 0.00 -1.01 0.00 0.00 33.01 29.27 3ir6 s GLN 73 CO -0.06 -0.16 0.83 -0.65 0.01 0.00 0.00 175.29 175.26 3ir6 s GLN 74 N -2.22 4.63 -0.16 2.91 -1.52 -0.30 -4.70 119.66 118.29 3ir6 s GLN 74 Ca 0.55 1.24 0.17 0.00 -1.95 0.00 0.00 55.36 55.37 3ir6 s GLN 74 Cb -0.28 -3.30 0.37 0.00 -0.22 0.00 0.00 33.01 29.59 3ir6 s GLN 74 CO 0.35 0.46 1.24 0.25 -0.25 0.00 0.00 175.29 177.34 3ir6 n THR 75 N 1.96 2.06 -1.06 -0.19 -2.24 -1.26 -4.74 114.28 108.80 3ir6 n THR 75 Ca -0.03 -2.37 -0.02 0.00 -2.27 0.00 0.00 64.05 59.36 3ir6 n THR 75 Cb 0.49 -0.25 0.30 0.00 -2.10 0.00 0.00 70.33 68.77 3ir6 n THR 75 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ir6 n ASP 76 N -1.19 4.56 -4.73 3.42 5.75 -1.26 -4.82 116.55 118.28 3ir6 n ASP 76 Ca 0.19 -3.21 -0.36 0.00 -0.01 0.00 0.00 54.79 51.39 3ir6 n ASP 76 Cb 0.72 -0.69 0.07 0.00 -1.03 0.00 0.00 41.12 40.19 3ir6 n ASP 76 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3ir6 s TYR 77 N -2.97 2.10 0.06 2.11 1.51 -1.26 -4.73 117.35 114.17 3ir6 s TYR 77 Ca 0.52 1.51 -0.31 0.00 -1.01 0.00 0.00 57.07 57.78 3ir6 s TYR 77 Cb 0.42 -3.63 -0.08 0.00 -0.11 0.00 0.00 41.96 38.55 3ir6 s TYR 77 CO 0.12 -2.80 1.69 -2.14 -1.11 0.00 0.00 175.55 171.31 3ir6 s PRO 78 N -3.47 4.19 0.63 -1.71 0.02 -1.26 -4.92 135.00 128.47 3ir6 s PRO 78 Ca 0.81 2.36 -0.19 0.00 0.02 0.00 0.00 61.00 64.00 3ir6 s PRO 78 Cb -0.35 -3.67 -0.02 0.00 0.02 0.00 0.00 34.50 30.48 3ir6 s PRO 78 CO 0.40 -0.77 1.30 0.54 -0.33 0.00 0.00 177.00 178.13 3ir6 n ARG 79 N 5.88 1.23 -2.82 5.54 1.74 -1.26 -4.89 116.66 122.07 3ir6 n ARG 79 Ca 0.16 0.47 -0.24 0.00 -0.77 0.00 0.00 57.85 57.48 3ir6 n ARG 79 Cb 0.40 -2.53 0.02 0.00 -1.02 0.00 0.00 32.46 29.33 3ir6 n ARG 79 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ir6 s THR 80 N -1.37 3.89 0.21 0.55 -4.23 -1.26 -5.00 115.64 108.43 3ir6 s THR 80 Ca 0.80 -0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 60.83 3ir6 s THR 80 Cb -0.39 -3.46 -0.09 0.00 1.34 0.00 0.00 72.50 69.90 3ir6 s THR 80 CO 0.42 -0.37 0.07 0.54 -0.54 0.00 0.00 174.62 174.75 3ir6 n ARG 81 N -2.21 0.00 -0.02 3.99 1.74 -1.26 -4.71 116.66 114.18 3ir6 n ARG 81 Ca 0.02 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.29 3ir6 n ARG 81 Cb 0.58 -0.54 0.64 0.00 -1.02 0.00 0.00 32.46 32.12 3ir6 n ARG 81 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3ir6 h PRO 82 N 0.21 0.10 -0.30 5.56 0.11 -1.97 -1.68 132.00 134.04 3ir6 h PRO 82 Ca -0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3ir6 h PRO 82 Cb 0.79 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3ir6 h PRO 82 CO 0.26 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 177.71 3ir6 n ASP 83 N -4.41 1.27 -4.19 -2.05 5.75 -1.26 -4.82 116.55 106.83 3ir6 n ASP 83 Ca 0.10 -2.04 -0.21 0.00 -0.01 0.00 0.00 54.79 52.64 3ir6 n ASP 83 Cb 0.56 -0.19 -0.13 0.00 -1.03 0.00 0.00 41.12 40.33 3ir6 n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3ir6 s LEU 84 N -0.97 2.24 0.75 -2.12 1.43 -0.63 -5.09 118.68 114.28 3ir6 s LEU 84 Ca 0.14 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 3ir6 s LEU 84 Cb 0.08 -0.66 0.04 0.00 0.03 0.00 0.00 46.19 45.67 3ir6 s LEU 84 CO 0.09 0.01 1.08 -2.16 0.23 0.00 0.00 176.35 175.59 3ir6 s PRO 85 N -1.55 2.52 0.62 1.29 0.04 -1.26 -4.75 135.00 131.91 3ir6 s PRO 85 Ca 0.02 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 61.86 3ir6 s PRO 85 Cb -0.09 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.54 3ir6 s PRO 85 CO 0.02 -1.37 0.88 -0.80 0.04 0.00 0.00 177.00 175.78 3ir6 s ASN 86 N -3.81 5.10 0.09 6.66 0.01 -1.26 -4.70 114.94 117.03 3ir6 s ASN 86 Ca 0.59 0.22 -0.09 0.00 -0.71 0.00 0.00 52.86 52.87 3ir6 s ASN 86 Cb -0.14 -1.02 -0.19 0.00 0.41 0.00 0.00 41.25 40.31 3ir6 s ASN 86 CO 0.55 -1.33 1.22 0.45 -1.51 0.00 0.00 177.10 176.48 3ir6 h HIS 87 N -0.22 0.82 -1.82 2.20 3.86 -1.94 -3.46 115.15 114.59 3ir6 h HIS 87 Ca -0.43 -0.47 -0.63 0.00 -1.16 0.00 0.00 60.37 57.68 3ir6 h HIS 87 Cb 1.30 -0.08 0.12 0.00 1.06 0.00 0.00 27.41 29.81 3ir6 h HIS 87 CO 0.36 1.30 -0.33 -0.85 0.86 0.00 0.00 177.93 179.27 3ir6 n GLU 88 N -3.77 0.55 0.02 2.45 -0.00 -1.26 -2.91 120.64 115.71 3ir6 n GLU 88 Ca -0.09 0.19 0.11 0.00 -0.00 0.00 0.00 57.16 57.37 3ir6 n GLU 88 Cb 0.89 -1.38 -0.07 0.00 -0.00 0.00 0.00 31.44 30.88 3ir6 n GLU 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3ir6 n PRO 89 N 0.84 0.42 0.00 3.44 -0.04 -1.26 -5.11 135.00 133.29 3ir6 n PRO 89 Ca 0.13 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3ir6 n PRO 89 Cb 0.32 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 3ir6 n PRO 89 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ir6 n ARG 90 N -2.09 0.00 0.00 0.54 1.74 -1.15 -4.50 116.66 111.20 3ir6 n ARG 90 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ir6 n ARG 90 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 3ir6 n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ir6 n GLY 91 N 0.00 0.24 3.79 -0.13 0.00 -1.26 -4.91 105.19 102.93 3ir6 n GLY 91 Ca 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 3ir6 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir6 h PRO 93 N 2.04 0.33 0.07 0.00 0.13 -1.98 -1.42 132.00 131.17 3ir6 h PRO 93 Ca -0.23 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3ir6 h PRO 93 Cb 1.25 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3ir6 h PRO 93 CO 0.29 0.67 -0.03 0.00 -0.23 0.00 0.00 178.00 178.70 3ir6 h ARG 94 N 0.27 -0.09 -0.75 0.86 -0.00 -1.96 -3.01 114.38 109.71 3ir6 h ARG 94 Ca 0.03 0.01 0.11 0.00 -0.50 0.00 0.00 59.98 59.62 3ir6 h ARG 94 Cb 0.81 0.02 -0.08 0.00 0.00 0.00 0.00 29.97 30.72 3ir6 h ARG 94 CO 0.06 0.18 0.38 0.78 0.00 0.00 0.00 179.97 181.37 3ir6 h GLY 95 N -0.36 1.15 1.95 0.04 0.00 -1.92 -1.70 103.07 102.22 3ir6 h GLY 95 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3ir6 h GLY 95 CO 0.02 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.60 3ir6 n ALA 96 N -2.42 1.47 0.56 3.60 0.00 -0.55 -2.51 120.51 120.67 3ir6 n ALA 96 Ca 0.13 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.59 3ir6 n ALA 96 Cb 0.31 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.62 3ir6 n ALA 96 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ir6 n SER 97 N -1.47 1.68 -0.24 0.00 3.41 -0.65 -4.66 113.62 111.70 3ir6 n SER 97 Ca 0.03 -1.34 0.04 0.00 -0.26 0.00 0.00 58.87 57.34 3ir6 n SER 97 Cb 0.11 0.28 0.16 0.00 -0.26 0.00 0.00 64.21 64.50 3ir6 n SER 97 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3ir6 h TYR 98 N 1.89 0.15 -1.87 7.33 3.20 -1.43 -1.01 116.97 125.23 3ir6 h TYR 98 Ca 0.00 0.04 0.54 0.00 3.14 0.00 0.00 58.73 62.46 3ir6 h TYR 98 Cb 0.48 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.72 3ir6 h TYR 98 CO 0.00 -0.13 1.35 0.66 -1.64 0.00 0.00 178.16 178.40 3ir6 h SER 99 N 0.21 0.00 -0.65 -2.11 4.64 -1.83 -0.10 113.55 113.71 3ir6 h SER 99 Ca 0.39 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.77 3ir6 h SER 99 Cb 0.66 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.70 3ir6 h SER 99 CO -0.53 -0.00 0.36 -0.25 -0.87 0.00 0.00 176.83 175.54 3ir6 h TRP 100 N 0.00 0.67 -0.96 4.77 7.01 -1.54 -3.11 115.95 122.79 3ir6 h TRP 100 Ca 0.89 0.02 0.15 0.00 2.11 0.00 0.00 58.89 62.07 3ir6 h TRP 100 Cb 3.58 -0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 30.35 3ir6 h TRP 100 CO -0.00 0.32 0.61 1.88 -2.79 0.00 0.00 178.44 178.46 3ir6 h TYR 101 N 0.68 0.96 -0.77 2.65 0.99 -1.20 -3.14 116.97 117.13 3ir6 h TYR 101 Ca 0.29 0.03 0.17 0.00 2.00 0.00 0.00 58.73 61.21 3ir6 h TYR 101 Cb 0.17 -0.30 -0.14 0.00 1.00 0.00 0.00 36.73 37.46 3ir6 h TYR 101 CO -0.08 0.32 -0.12 -0.07 -0.00 0.00 0.00 178.16 178.22 3ir6 h LEU 102 N 0.78 -0.59 -2.84 3.88 4.07 -1.72 -2.96 115.31 115.93 3ir6 h LEU 102 Ca 0.50 0.22 -0.03 0.00 0.08 0.00 0.00 57.88 58.65 3ir6 h LEU 102 Cb 0.73 0.44 -0.06 0.00 1.08 0.00 0.00 40.66 42.84 3ir6 h LEU 102 CO -0.26 -0.24 -0.41 -1.22 -1.08 0.00 0.00 178.44 175.24 3ir6 n TYR 103 N -5.45 0.00 -1.18 1.13 4.02 -1.24 -4.94 117.16 109.49 3ir6 n TYR 103 Ca 0.12 -0.94 -0.29 0.00 -0.01 0.00 0.00 57.90 56.78 3ir6 n TYR 103 Cb 0.44 -0.17 0.16 0.00 -0.02 0.00 0.00 39.34 39.75 3ir6 n TYR 103 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3ir6 s SER 104 N -2.58 2.95 0.00 7.72 1.04 -1.12 -4.91 113.70 116.81 3ir6 s SER 104 Ca 0.29 1.32 0.18 0.00 0.48 0.00 0.00 55.95 58.22 3ir6 s SER 104 Cb 0.28 -1.99 0.92 0.00 0.10 0.00 0.00 66.02 65.33 3ir6 s SER 104 CO -0.04 -2.94 1.52 0.00 0.98 0.00 0.00 173.24 172.76 3ir6 n ALA 105 N -4.06 1.98 -0.43 5.32 0.00 -1.26 -2.56 120.51 119.49 3ir6 n ALA 105 Ca 0.06 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3ir6 n ALA 105 Cb 0.56 -1.29 0.19 0.00 0.00 0.00 0.00 19.45 18.91 3ir6 n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ir6 n ASN 106 N -1.25 3.24 -4.72 0.00 5.15 -1.26 -5.00 115.26 111.42 3ir6 n ASN 106 Ca 0.09 -2.32 -0.42 0.00 -0.60 0.00 0.00 54.58 51.33 3ir6 n ASN 106 Cb 0.13 -0.33 -0.03 0.00 -0.53 0.00 0.00 39.78 39.02 3ir6 n ASN 106 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3ir6 s ARG 107 N -1.57 4.50 -0.23 1.20 6.06 -1.06 -1.85 118.95 126.00 3ir6 s ARG 107 Ca 0.29 1.65 -0.26 0.00 -2.50 0.00 0.00 55.73 54.91 3ir6 s ARG 107 Cb 0.19 -3.37 -0.00 0.00 0.06 0.00 0.00 34.95 31.83 3ir6 s ARG 107 CO 0.14 -0.14 0.91 -0.51 -2.50 0.00 0.00 175.30 173.19 3ir6 s LEU 108 N 0.86 4.10 -0.12 -0.88 1.43 -0.44 -4.87 118.68 118.76 3ir6 s LEU 108 Ca 0.55 1.18 0.14 0.00 -1.03 0.00 0.00 54.13 54.97 3ir6 s LEU 108 Cb -0.27 -3.32 -0.20 0.00 0.03 0.00 0.00 46.19 42.43 3ir6 s LEU 108 CO 0.29 -0.56 0.12 0.29 0.23 0.00 0.00 176.35 176.73 3ir6 n LYS 109 N 6.05 1.31 -4.17 1.70 5.02 -1.26 -4.73 118.16 122.07 3ir6 n LYS 109 Ca 0.08 -0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.21 3ir6 n LYS 109 Cb 0.47 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 3ir6 n LYS 109 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3ir6 s TYR 110 N -2.54 0.94 0.21 2.13 2.02 -1.26 -1.54 117.35 117.31 3ir6 s TYR 110 Ca -0.07 -0.86 -0.30 0.00 -0.37 0.00 0.00 57.07 55.47 3ir6 s TYR 110 Cb 0.06 -0.53 -0.09 0.00 -0.40 0.00 0.00 41.96 41.00 3ir6 s TYR 110 CO 0.63 -0.11 1.34 -1.25 -1.57 0.00 0.00 175.55 174.59 3ir6 s PRO 111 N -3.65 4.36 0.11 -1.71 0.04 -1.26 -4.26 135.00 128.62 3ir6 s PRO 111 Ca 0.11 2.12 0.09 0.00 0.04 0.00 0.00 61.00 63.36 3ir6 s PRO 111 Cb 0.04 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 3ir6 s PRO 111 CO -0.04 -0.30 -0.18 -1.64 0.04 0.00 0.00 177.00 174.89 3ir6 s MET 112 N -0.17 1.81 0.02 4.56 -1.94 0.26 -0.76 119.30 123.08 3ir6 s MET 112 Ca 0.57 -1.16 0.01 0.00 -1.71 0.00 0.00 55.69 53.40 3ir6 s MET 112 Cb -0.38 -2.12 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 3ir6 s MET 112 CO 0.39 0.49 -0.04 1.41 -0.01 0.00 0.00 175.02 177.26 3ir6 s MET 113 N -2.06 0.36 -0.00 2.03 1.75 -0.69 -0.79 119.30 119.90 3ir6 s MET 113 Ca 0.18 -0.64 -0.30 0.00 -1.25 0.00 0.00 55.69 53.67 3ir6 s MET 113 Cb -0.11 0.01 -0.06 0.00 2.84 0.00 0.00 34.83 37.52 3ir6 s MET 113 CO 0.10 -0.03 1.43 0.50 -0.65 0.00 0.00 175.02 176.37 3ir6 s ARG 114 N -1.47 4.27 0.19 4.11 6.06 -0.79 -0.74 118.95 130.58 3ir6 s ARG 114 Ca -0.14 1.99 -0.18 0.00 -2.50 0.00 0.00 55.73 54.90 3ir6 s ARG 114 Cb -0.10 -3.60 0.16 0.00 0.06 0.00 0.00 34.95 31.47 3ir6 s ARG 114 CO -0.01 -0.60 1.60 -0.22 -2.50 0.00 0.00 175.30 173.57 3ir6 h LYS 115 N 7.96 -0.11 -0.79 5.12 3.64 -1.36 -0.54 116.57 130.49 3ir6 h LYS 115 Ca -0.38 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.13 3ir6 h LYS 115 Cb 1.18 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 3ir6 h LYS 115 CO 0.91 -0.07 0.39 -0.09 -2.27 0.00 0.00 179.45 178.31 3ir6 h ARG 116 N -0.12 0.58 -0.01 1.90 9.65 -1.92 0.11 114.38 124.58 3ir6 h ARG 116 Ca 0.26 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 59.00 3ir6 h ARG 116 Cb 0.52 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 3ir6 h ARG 116 CO -0.66 0.39 -0.45 1.25 2.80 0.00 0.00 179.97 183.30 3ir6 h LEU 117 N 0.60 0.02 -0.22 3.80 5.85 -1.52 -2.51 115.31 121.33 3ir6 h LEU 117 Ca 0.41 -0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.91 3ir6 h LEU 117 Cb 0.53 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3ir6 h LEU 117 CO -0.33 0.46 -0.89 -0.03 -0.34 0.00 0.00 178.44 177.32 3ir6 h MET 118 N 0.01 0.42 -0.09 1.25 4.05 0.39 -1.77 114.93 119.19 3ir6 h MET 118 Ca -0.00 -0.42 -0.01 0.00 -0.28 0.00 0.00 59.70 58.99 3ir6 h MET 118 Cb 0.80 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.71 3ir6 h MET 118 CO 0.06 1.08 0.02 -0.22 0.23 0.00 0.00 176.91 178.08 3ir6 h LYS 119 N 0.25 0.15 0.00 0.39 3.64 -0.73 -1.86 116.57 118.41 3ir6 h LYS 119 Ca -0.07 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 3ir6 h LYS 119 Cb 1.51 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 3ir6 h LYS 119 CO 0.15 0.32 -0.28 0.52 -2.27 0.00 0.00 179.45 177.89 3ir6 h MET 120 N -0.06 0.00 -0.10 1.90 2.86 -1.48 -2.34 114.93 115.71 3ir6 h MET 120 Ca 0.03 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 3ir6 h MET 120 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3ir6 h MET 120 CO 0.00 0.28 -0.18 2.35 1.06 0.00 0.00 176.91 180.42 3ir6 h TRP 121 N 0.00 0.38 -0.16 -0.22 2.91 -1.13 -1.26 115.95 116.47 3ir6 h TRP 121 Ca -0.00 -0.13 -0.14 0.00 1.13 0.00 0.00 58.89 59.75 3ir6 h TRP 121 Cb 0.68 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.25 3ir6 h TRP 121 CO 0.00 0.78 -0.48 0.00 -1.03 0.00 0.00 178.44 177.71 3ir6 h ARG 122 N -0.14 0.42 -0.00 2.65 3.08 -1.31 -0.49 114.38 118.59 3ir6 h ARG 122 Ca 0.01 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.71 3ir6 h ARG 122 Cb 0.76 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 3ir6 h ARG 122 CO 0.04 0.81 -0.52 0.93 -1.07 0.00 0.00 179.97 180.16 3ir6 h GLU 123 N 0.33 0.00 0.03 0.04 5.08 -1.45 -2.79 114.58 115.83 3ir6 h GLU 123 Ca 0.02 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.19 3ir6 h GLU 123 Cb 0.97 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.24 3ir6 h GLU 123 CO 0.08 0.53 -0.76 0.00 -1.00 0.00 0.00 179.01 177.86 3ir6 h ALA 124 N 1.47 0.05 -0.09 3.43 0.00 -0.91 -3.22 119.26 120.00 3ir6 h ALA 124 Ca -0.00 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.31 3ir6 h ALA 124 Cb 0.93 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3ir6 h ALA 124 CO 0.07 0.44 0.07 0.87 0.00 0.00 0.00 179.25 180.69 3ir6 h LYS 125 N -0.03 0.00 0.00 0.00 1.57 -1.03 0.17 116.57 117.25 3ir6 h LYS 125 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3ir6 h LYS 125 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.78 3ir6 h LYS 125 CO 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 3ir6 h ALA 126 N 1.95 1.00 0.00 3.86 0.00 -1.50 -3.11 119.26 121.45 3ir6 h ALA 126 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ir6 h ALA 126 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ir6 h ALA 126 CO -0.00 0.00 -0.62 1.28 0.00 0.00 0.00 179.25 179.91 3ir6 n LEU 127 N -2.34 0.33 -3.60 0.00 4.77 0.02 -4.87 117.00 111.31 3ir6 n LEU 127 Ca 0.04 -0.40 -0.29 0.00 -0.03 0.00 0.00 56.01 55.33 3ir6 n LEU 127 Cb 0.34 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.28 3ir6 n LEU 127 CO 0.26 0.08 -0.33 -1.00 -1.33 0.00 0.00 177.39 175.07 3ir6 s HIS 128 N -2.00 0.69 0.61 -1.77 3.76 0.38 -4.97 115.29 111.98 3ir6 s HIS 128 Ca 0.02 -1.06 0.31 0.00 -0.15 0.00 0.00 55.06 54.18 3ir6 s HIS 128 Cb 0.07 -1.10 1.78 0.00 1.11 0.00 0.00 32.58 34.44 3ir6 s HIS 128 CO 0.37 -0.82 2.14 0.66 -0.85 0.00 0.00 174.74 176.24 3ir6 h SER 129 N 8.32 0.00 -3.79 1.40 4.64 -1.86 -3.39 113.55 118.88 3ir6 h SER 129 Ca -0.18 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.51 3ir6 h SER 129 Cb 1.02 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.96 3ir6 h SER 129 CO 0.44 0.00 -0.39 -0.62 -0.87 0.00 0.00 176.83 175.39 3ir6 s ASP 130 N -5.61 6.14 0.38 4.97 3.68 -1.26 -4.98 116.67 119.98 3ir6 s ASP 130 Ca -0.05 0.14 0.12 0.00 2.13 0.00 0.00 52.55 54.90 3ir6 s ASP 130 Cb 0.14 -2.16 0.92 0.00 -1.45 0.00 0.00 42.92 40.37 3ir6 s ASP 130 CO 0.50 -0.10 1.86 1.55 0.13 0.00 0.00 175.17 179.11 3ir6 h PRO 131 N 8.19 0.56 -0.45 4.34 0.13 -1.96 -1.44 132.00 141.38 3ir6 h PRO 131 Ca -0.34 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 3ir6 h PRO 131 Cb 1.18 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3ir6 h PRO 131 CO 0.60 0.37 0.12 0.28 -0.23 0.00 0.00 178.00 179.14 3ir6 h VAL 132 N 0.58 1.23 -0.32 1.56 2.07 -1.90 0.28 116.25 119.76 3ir6 h VAL 132 Ca 0.47 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 3ir6 h VAL 132 Cb 0.92 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3ir6 h VAL 132 CO -0.21 0.28 -0.24 -0.33 0.02 0.00 0.00 177.57 177.09 3ir6 h GLU 133 N 0.59 0.62 -0.66 1.57 3.07 -1.78 0.48 114.58 118.47 3ir6 h GLU 133 Ca 0.14 -0.24 -0.07 0.00 -0.50 0.00 0.00 59.36 58.69 3ir6 h GLU 133 Cb 0.30 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 3ir6 h GLU 133 CO -0.00 0.81 0.13 0.00 -1.40 0.00 0.00 179.01 178.55 3ir6 h ALA 134 N 1.19 0.87 -0.47 3.43 0.00 -0.93 -0.13 119.26 123.22 3ir6 h ALA 134 Ca 0.08 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3ir6 h ALA 134 Cb 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ir6 h ALA 134 CO 0.05 0.61 -0.19 2.35 0.00 0.00 0.00 179.25 182.07 3ir6 h TRP 135 N 0.99 1.11 -0.51 0.00 2.91 -0.61 -2.77 115.95 117.08 3ir6 h TRP 135 Ca 0.20 -0.26 -0.01 0.00 1.13 0.00 0.00 58.89 59.95 3ir6 h TRP 135 Cb 0.40 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.77 3ir6 h TRP 135 CO 0.03 1.08 0.29 0.00 -1.03 0.00 0.00 178.44 178.81 3ir6 h ALA 136 N 0.86 1.56 -0.12 2.65 0.00 -0.51 -0.81 119.26 122.88 3ir6 h ALA 136 Ca 0.11 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3ir6 h ALA 136 Cb 0.77 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ir6 h ALA 136 CO 0.06 0.38 -0.35 0.66 0.00 0.00 0.00 179.25 180.01 3ir6 h SER 137 N 0.70 0.24 0.00 0.00 4.64 -0.74 -1.80 113.55 116.59 3ir6 h SER 137 Ca 0.18 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 3ir6 h SER 137 Cb -0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3ir6 h SER 137 CO -0.03 0.58 -0.40 0.40 -0.87 0.00 0.00 176.83 176.51 3ir6 h ILE 138 N 0.21 1.39 0.00 0.95 2.04 -1.30 -3.33 117.51 117.47 3ir6 h ILE 138 Ca 0.03 -2.19 -0.05 0.00 1.00 0.00 0.00 64.86 63.64 3ir6 h ILE 138 Cb 0.71 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 3ir6 h ILE 138 CO 0.05 0.47 -0.24 -0.29 0.00 0.00 0.00 178.15 178.14 3ir6 h ILE 139 N -1.00 1.17 -0.00 -0.67 6.09 -1.23 -2.44 117.51 119.43 3ir6 h ILE 139 Ca -0.11 -0.83 0.00 0.00 -1.37 0.00 0.00 64.86 62.55 3ir6 h ILE 139 Cb 1.03 1.45 0.00 0.00 0.47 0.00 0.00 36.82 39.77 3ir6 h ILE 139 CO -0.06 0.24 -0.04 -0.62 -3.07 0.00 0.00 178.15 174.59 3ir6 n GLU 140 N -4.25 0.57 -3.61 2.19 1.02 -0.68 -4.71 120.64 111.17 3ir6 n GLU 140 Ca -0.02 -0.08 -0.37 0.00 -0.02 0.00 0.00 57.16 56.67 3ir6 n GLU 140 Cb 0.30 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 3ir6 n GLU 140 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ir6 s ASP 141 N -2.49 6.14 0.49 1.62 -1.08 -0.92 -4.99 116.67 115.44 3ir6 s ASP 141 Ca 0.30 0.14 0.28 0.00 -0.52 0.00 0.00 52.55 52.75 3ir6 s ASP 141 Cb 0.20 -2.12 1.13 0.00 -1.46 0.00 0.00 42.92 40.67 3ir6 s ASP 141 CO 0.46 0.03 1.90 0.00 0.52 0.00 0.00 175.17 178.08 3ir6 h ALA 142 N 7.65 1.03 0.00 3.66 0.00 -1.84 -0.53 119.26 129.22 3ir6 h ALA 142 Ca -0.37 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ir6 h ALA 142 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ir6 h ALA 142 CO 0.65 0.15 -0.94 -0.44 0.00 0.00 0.00 179.25 178.67 3ir6 h ASP 143 N 0.00 0.00 0.00 0.00 3.32 -1.94 -3.01 116.42 114.79 3ir6 h ASP 143 Ca -0.00 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 3ir6 h ASP 143 Cb 0.63 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3ir6 h ASP 143 CO 0.02 0.01 -0.49 0.11 -1.72 0.00 0.00 179.24 177.17 3ir6 h LYS 144 N 0.00 0.00 -0.49 3.56 1.57 -1.76 -2.81 116.57 116.64 3ir6 h LYS 144 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 3ir6 h LYS 144 Cb 0.97 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.18 3ir6 h LYS 144 CO 0.00 0.64 -0.20 0.00 -0.57 0.00 0.00 179.45 179.32 3ir6 h ALA 145 N -0.52 0.18 0.00 3.86 0.00 -1.14 -1.50 119.26 120.15 3ir6 h ALA 145 Ca -0.11 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3ir6 h ALA 145 Cb 0.83 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3ir6 h ALA 145 CO -0.07 -0.53 -0.58 -0.22 0.00 0.00 0.00 179.25 177.85 3ir6 h LYS 146 N -0.09 0.00 0.00 0.00 3.11 -1.69 -2.61 116.57 115.29 3ir6 h LYS 146 Ca 0.23 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.06 3ir6 h LYS 146 Cb 0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.68 3ir6 h LYS 146 CO -0.55 0.58 -0.06 0.66 -2.81 0.00 0.00 179.45 177.27 3ir6 h SER 147 N 0.00 0.00 0.00 4.20 4.64 -0.99 -1.59 113.55 119.81 3ir6 h SER 147 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ir6 h SER 147 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3ir6 h SER 147 CO 0.08 0.06 -1.03 2.22 -0.87 0.00 0.00 176.83 177.29 3ir6 n PHE 148 N -3.35 0.00 0.08 4.77 -1.74 -1.14 -4.01 117.46 112.07 3ir6 n PHE 148 Ca -0.01 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.82 3ir6 n PHE 148 Cb 0.22 -0.13 -0.05 0.00 1.52 0.00 0.00 39.48 41.03 3ir6 n PHE 148 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 3ir6 h LYS 149 N 0.00 0.00 0.00 3.97 1.57 -1.12 -3.08 116.57 117.91 3ir6 h LYS 149 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ir6 h LYS 149 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3ir6 h LYS 149 CO 0.00 0.90 -0.02 1.96 -0.57 0.00 0.00 179.45 181.71 3ir6 h GLN 150 N 0.00 0.00 0.00 3.15 4.20 -1.49 -3.00 115.11 117.97 3ir6 h GLN 150 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3ir6 h GLN 150 Cb 1.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.39 3ir6 h GLN 150 CO 0.12 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.28 3ir6 h ALA 151 N 2.33 1.00 -2.09 3.87 0.00 -1.67 -3.45 119.26 119.26 3ir6 h ALA 151 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 3ir6 h ALA 151 Cb 0.83 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.68 3ir6 h ALA 151 CO 0.00 0.00 0.72 0.54 0.00 0.00 0.00 179.25 180.51 3ir6 n ARG 152 N -2.93 1.86 -0.96 0.00 1.74 -1.13 -0.59 116.66 114.65 3ir6 n ARG 152 Ca 0.03 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 3ir6 n ARG 152 Cb 0.43 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 3ir6 n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ir6 n GLY 153 N 3.24 0.41 2.09 -0.13 0.00 -1.07 -4.89 105.19 104.84 3ir6 n GLY 153 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 3ir6 n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir6 n ARG 154 N -1.75 3.51 0.00 1.61 5.12 0.24 -4.94 116.66 120.45 3ir6 n ARG 154 Ca 0.00 -4.15 0.00 0.00 -1.93 0.00 0.00 57.85 51.77 3ir6 n ARG 154 Cb 0.13 -2.24 0.00 0.00 -1.16 0.00 0.00 32.46 29.19 3ir6 n ARG 154 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ir6 n GLY 155 N -0.69 -1.29 0.36 -0.13 0.00 -1.26 -4.99 105.19 97.18 3ir6 n GLY 155 Ca 0.42 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3ir6 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir6 n GLY 156 N 0.00 0.54 3.75 -0.02 0.00 -1.26 -4.87 105.19 103.34 3ir6 n GLY 156 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3ir6 n GLY 156 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ir6 s PHE 157 N -2.23 2.88 0.10 1.61 0.08 -1.26 -0.92 117.98 118.23 3ir6 s PHE 157 Ca 0.00 1.02 0.05 0.00 0.12 0.00 0.00 56.93 58.12 3ir6 s PHE 157 Cb 0.00 -3.91 -0.03 0.00 -0.57 0.00 0.00 43.02 38.51 3ir6 s PHE 157 CO 0.00 -2.89 -0.13 0.14 -0.10 0.00 0.00 175.22 172.24 3ir6 s VAL 158 N -0.32 1.14 0.26 -0.44 -7.23 0.08 -4.86 120.40 109.03 3ir6 s VAL 158 Ca 0.58 -1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 3ir6 s VAL 158 Cb -0.44 -1.34 -0.10 0.00 0.56 0.00 0.00 36.38 35.06 3ir6 s VAL 158 CO 0.49 -0.40 1.40 -0.60 -0.31 0.00 0.00 175.10 175.68 3ir6 s ARG 159 N -2.43 4.29 0.00 4.82 3.52 -1.26 -1.70 118.95 126.19 3ir6 s ARG 159 Ca 0.05 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 3ir6 s ARG 159 Cb -0.06 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 3ir6 s ARG 159 CO 0.02 -0.36 0.00 0.45 -0.81 0.00 0.00 175.30 174.60 3ir6 n SER 160 N 2.04 1.10 -4.14 -2.12 2.88 0.06 -4.86 113.62 108.58 3ir6 n SER 160 Ca 0.05 -0.03 -0.09 0.00 -1.33 0.00 0.00 58.87 57.47 3ir6 n SER 160 Cb 0.41 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 3ir6 n SER 160 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3ir6 s SER 161 N 0.94 0.47 0.20 -3.46 1.04 -1.26 -4.47 113.70 107.16 3ir6 s SER 161 Ca 0.00 -1.14 -0.09 0.00 0.48 0.00 0.00 55.95 55.20 3ir6 s SER 161 Cb 0.00 0.25 0.14 0.00 0.10 0.00 0.00 66.02 66.51 3ir6 s SER 161 CO 0.00 -0.67 1.78 -0.50 0.98 0.00 0.00 173.24 174.83 3ir6 h TRP 162 N 2.93 1.12 -0.87 5.02 4.06 -1.99 -0.92 115.95 125.29 3ir6 h TRP 162 Ca -0.35 -0.07 0.03 0.00 2.06 0.00 0.00 58.89 60.56 3ir6 h TRP 162 Cb 1.18 -0.34 -0.05 0.00 -1.00 0.00 0.00 29.16 28.95 3ir6 h TRP 162 CO 0.48 0.84 0.57 0.37 -3.56 0.00 0.00 178.44 177.13 3ir6 h GLN 163 N 1.07 1.07 0.16 0.49 4.15 -1.99 -1.21 115.11 118.85 3ir6 h GLN 163 Ca 0.25 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 3ir6 h GLN 163 Cb 0.17 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3ir6 h GLN 163 CO -0.03 0.71 -0.08 1.49 -1.93 0.00 0.00 178.83 178.99 3ir6 h GLU 164 N 1.10 -0.21 -0.82 1.69 4.81 -1.84 -3.15 114.58 116.16 3ir6 h GLU 164 Ca 0.35 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3ir6 h GLU 164 Cb -0.00 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3ir6 h GLU 164 CO -0.12 0.15 0.50 -0.39 -0.73 0.00 0.00 179.01 178.43 3ir6 h VAL 165 N -0.95 1.23 -0.48 0.32 -1.51 -1.20 -1.38 116.25 112.27 3ir6 h VAL 165 Ca -0.02 -0.49 0.05 0.00 -1.23 0.00 0.00 66.70 65.00 3ir6 h VAL 165 Cb 0.46 0.07 -0.05 0.00 -2.13 0.00 0.00 31.29 29.65 3ir6 h VAL 165 CO 0.04 0.24 0.22 0.78 -1.23 0.00 0.00 177.57 177.61 3ir6 h ASN 166 N 1.13 0.29 -0.06 4.19 2.35 -1.35 0.16 115.58 122.28 3ir6 h ASN 166 Ca 0.30 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.08 3ir6 h ASN 166 Cb -0.05 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 3ir6 h ASN 166 CO -0.06 0.20 0.02 -0.08 -1.65 0.00 0.00 177.43 175.87 3ir6 h GLU 167 N 0.43 0.10 -0.96 0.81 4.81 -1.42 -1.08 114.58 117.27 3ir6 h GLU 167 Ca 0.22 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3ir6 h GLU 167 Cb 0.16 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 3ir6 h GLU 167 CO -0.18 0.24 0.63 1.25 -0.73 0.00 0.00 179.01 180.22 3ir6 h LEU 168 N -0.06 1.05 -0.09 1.64 6.46 -0.90 0.12 115.31 123.52 3ir6 h LEU 168 Ca 0.02 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 3ir6 h LEU 168 Cb 0.18 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 3ir6 h LEU 168 CO -0.00 0.72 0.03 0.40 -0.62 0.00 0.00 178.44 178.97 3ir6 h ILE 169 N 1.22 1.18 -0.48 4.05 2.04 -0.43 -1.10 117.51 124.00 3ir6 h ILE 169 Ca 0.38 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 3ir6 h ILE 169 Cb -0.01 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3ir6 h ILE 169 CO -0.12 0.16 0.10 0.00 0.00 0.00 0.00 178.15 178.29 3ir6 h ALA 170 N 0.82 0.63 -0.39 1.87 0.00 -0.94 -0.09 119.26 121.17 3ir6 h ALA 170 Ca 0.03 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3ir6 h ALA 170 Cb 0.23 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3ir6 h ALA 170 CO -0.00 0.33 -0.02 0.00 0.00 0.00 0.00 179.25 179.56 3ir6 h ALA 171 N 0.97 0.34 -0.72 0.00 0.00 -0.68 0.11 119.26 119.28 3ir6 h ALA 171 Ca 0.15 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3ir6 h ALA 171 Cb 0.35 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3ir6 h ALA 171 CO 0.00 -0.41 0.21 1.03 0.00 0.00 0.00 179.25 180.09 3ir6 h SER 172 N 0.08 1.06 -0.52 0.00 0.87 -0.89 -1.23 113.55 112.92 3ir6 h SER 172 Ca 0.19 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 3ir6 h SER 172 Cb 0.28 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3ir6 h SER 172 CO -0.34 0.99 0.04 0.78 -0.53 0.00 0.00 176.83 177.77 3ir6 h ASN 173 N 1.08 0.85 0.26 6.23 -0.26 -0.11 -1.63 115.58 122.00 3ir6 h ASN 173 Ca 0.23 -0.28 -0.01 0.00 -0.56 0.00 0.00 56.30 55.68 3ir6 h ASN 173 Cb 0.32 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 3ir6 h ASN 173 CO -0.01 0.93 -0.12 0.58 -1.06 0.00 0.00 177.43 177.75 3ir6 h VAL 174 N 0.76 0.79 -0.89 2.81 2.07 -0.69 -1.48 116.25 119.61 3ir6 h VAL 174 Ca 0.15 -0.54 0.17 0.00 0.82 0.00 0.00 66.70 67.30 3ir6 h VAL 174 Cb 0.46 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 3ir6 h VAL 174 CO 0.02 0.11 0.58 0.22 0.02 0.00 0.00 177.57 178.52 3ir6 h TYR 175 N -0.64 0.69 0.07 1.57 5.03 -1.21 0.77 116.97 123.24 3ir6 h TYR 175 Ca -0.04 0.02 -0.28 0.00 2.58 0.00 0.00 58.73 61.02 3ir6 h TYR 175 Cb 0.45 -0.21 0.02 0.00 1.55 0.00 0.00 36.73 38.54 3ir6 h TYR 175 CO 0.02 0.21 -1.14 1.15 -1.32 0.00 0.00 178.16 177.08 3ir6 h THR 176 N 0.55 1.32 -0.36 1.81 2.02 -1.19 -2.86 112.91 114.19 3ir6 h THR 176 Ca 0.46 -2.44 -0.11 0.00 0.77 0.00 0.00 66.41 65.10 3ir6 h THR 176 Cb 0.95 2.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 3ir6 h THR 176 CO -0.20 0.74 -0.19 0.40 0.37 0.00 0.00 175.52 176.64 3ir6 h ILE 177 N 0.29 1.28 -0.46 3.11 2.04 -0.43 -1.13 117.51 122.22 3ir6 h ILE 177 Ca -0.15 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 3ir6 h ILE 177 Cb 1.80 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 3ir6 h ILE 177 CO 0.21 0.44 0.06 0.50 0.00 0.00 0.00 178.15 179.36 3ir6 h LYS 178 N 0.56 0.72 0.00 2.37 3.64 -0.96 -1.96 116.57 120.94 3ir6 h LYS 178 Ca 0.08 -0.16 -0.42 0.00 -1.27 0.00 0.00 60.65 58.88 3ir6 h LYS 178 Cb 0.74 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.39 3ir6 h LYS 178 CO 0.06 0.69 -2.48 0.09 -2.27 0.00 0.00 179.45 175.54 3ir6 n ASN 179 N -4.27 1.95 -0.09 4.20 4.13 -1.08 -4.76 115.26 115.35 3ir6 n ASN 179 Ca 0.03 0.15 -0.15 0.00 1.68 0.00 0.00 54.58 56.29 3ir6 n ASN 179 Cb 0.24 -0.64 -0.14 0.00 -1.54 0.00 0.00 39.78 37.71 3ir6 n ASN 179 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3ir6 n TYR 180 N -3.84 0.29 0.00 3.10 4.02 -0.78 -4.73 117.16 115.22 3ir6 n TYR 180 Ca -0.50 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.47 3ir6 n TYR 180 Cb 0.91 -1.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 3ir6 n TYR 180 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ir6 n GLY 181 N 1.99 3.89 0.37 2.72 0.00 -0.50 -3.59 105.19 110.07 3ir6 n GLY 181 Ca -0.37 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.15 3ir6 n GLY 181 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ir6 h PRO 182 N 0.00 0.54 0.00 1.61 0.13 -1.82 -1.87 132.00 130.60 3ir6 h PRO 182 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3ir6 h PRO 182 Cb 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.01 3ir6 h PRO 182 CO 0.00 0.36 0.00 -0.40 -0.23 0.00 0.00 178.00 177.73 3ir6 n ASP 183 N -4.51 0.00 -1.18 1.44 5.68 -1.24 -1.71 116.55 115.03 3ir6 n ASP 183 Ca 0.15 -1.33 0.11 0.00 -0.50 0.00 0.00 54.79 53.23 3ir6 n ASP 183 Cb 0.48 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.71 3ir6 n ASP 183 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ir6 n ARG 184 N -0.56 2.56 -4.84 0.11 3.00 -0.70 -4.22 116.66 112.01 3ir6 n ARG 184 Ca 0.02 -2.39 -0.33 0.00 -0.01 0.00 0.00 57.85 55.15 3ir6 n ARG 184 Cb 0.01 -1.51 -0.15 0.00 0.00 0.00 0.00 32.46 30.80 3ir6 n ARG 184 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3ir6 s VAL 185 N -1.28 2.62 0.15 1.55 1.01 -0.69 -0.32 120.40 123.44 3ir6 s VAL 185 Ca 0.41 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 3ir6 s VAL 185 Cb 0.23 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3ir6 s VAL 185 CO 0.31 0.53 0.16 0.00 0.00 0.00 0.00 175.10 176.11 3ir6 s ALA 186 N 0.49 0.50 -0.03 5.51 0.00 0.22 -0.51 121.76 127.94 3ir6 s ALA 186 Ca -0.12 -1.23 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 3ir6 s ALA 186 Cb -0.16 0.90 0.01 0.00 0.00 0.00 0.00 23.12 23.87 3ir6 s ALA 186 CO 0.05 -0.57 0.07 0.20 0.00 0.00 0.00 175.76 175.51 3ir6 s GLY 187 N -3.02 -0.02 -0.17 0.00 0.00 -0.79 -0.37 107.32 102.95 3ir6 s GLY 187 Ca 0.22 0.26 -0.01 0.00 0.00 0.00 0.00 44.72 45.19 3ir6 s GLY 187 CO 0.02 0.35 -0.12 -0.12 0.00 0.00 0.00 173.10 173.23 3ir6 s PHE 188 N 0.37 2.84 -0.10 1.90 2.19 0.11 -2.33 117.98 122.96 3ir6 s PHE 188 Ca -0.03 -0.92 -0.09 0.00 0.33 0.00 0.00 56.93 56.22 3ir6 s PHE 188 Cb -0.04 -1.93 0.03 0.00 -1.31 0.00 0.00 43.02 39.76 3ir6 s PHE 188 CO -0.01 -0.43 0.27 0.45 1.83 0.00 0.00 175.22 177.33 3ir6 s SER 189 N 0.87 -0.28 0.00 6.13 0.15 -1.26 -2.91 113.70 116.39 3ir6 s SER 189 Ca -0.03 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.17 3ir6 s SER 189 Cb -0.15 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 3ir6 s SER 189 CO -0.00 -0.10 0.00 -0.81 1.20 0.00 0.00 173.24 173.53 3ir6 n PRO 190 N 3.06 1.97 -0.10 5.44 -0.04 -1.26 -4.74 135.00 139.33 3ir6 n PRO 190 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3ir6 n PRO 190 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 3ir6 n PRO 190 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3ir6 n ILE 191 N -0.48 0.00 0.22 0.52 5.41 -1.26 -4.78 119.36 118.99 3ir6 n ILE 191 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 3ir6 n ILE 191 Cb 0.00 0.00 0.70 0.00 -0.71 0.00 0.00 39.64 39.63 3ir6 n ILE 191 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3ir6 h PRO 192 N 0.01 0.00 -0.23 0.38 0.13 -1.91 -2.52 132.00 127.86 3ir6 h PRO 192 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 3ir6 h PRO 192 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3ir6 h PRO 192 CO 0.00 0.00 0.21 0.00 -0.23 0.00 0.00 178.00 177.98 3ir6 h ALA 193 N 1.94 1.96 -0.20 -0.56 0.00 -1.90 0.28 119.26 120.79 3ir6 h ALA 193 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3ir6 h ALA 193 Cb 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ir6 h ALA 193 CO -0.00 -0.33 -0.19 1.98 0.00 0.00 0.00 179.25 180.71 3ir6 h MET 194 N 0.00 0.34 -0.51 0.00 -1.53 -1.73 -3.18 114.93 108.32 3ir6 h MET 194 Ca 0.11 -0.10 -0.10 0.00 -3.44 0.00 0.00 59.70 56.17 3ir6 h MET 194 Cb 0.53 -0.03 -0.15 0.00 -0.55 0.00 0.00 31.60 31.40 3ir6 h MET 194 CO -0.00 0.53 -0.33 -1.13 0.14 0.00 0.00 176.91 176.12 3ir6 n SER 195 N -4.19 -2.54 -0.36 1.39 3.41 -0.46 -4.69 113.62 106.19 3ir6 n SER 195 Ca -0.00 -2.22 0.02 0.00 -0.26 0.00 0.00 58.87 56.41 3ir6 n SER 195 Cb 0.34 1.34 0.08 0.00 -0.26 0.00 0.00 64.21 65.71 3ir6 n SER 195 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3ir6 n MET 196 N 2.52 -0.16 -0.03 4.33 0.00 -0.04 -1.29 117.12 122.46 3ir6 n MET 196 Ca 0.13 1.48 -0.17 0.00 0.00 0.00 0.00 57.70 59.14 3ir6 n MET 196 Cb 0.61 -2.20 -0.07 0.00 0.00 0.00 0.00 33.22 31.56 3ir6 n MET 196 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3ir6 h VAL 197 N 0.00 1.29 -0.62 2.03 2.07 -1.86 -0.09 116.25 119.08 3ir6 h VAL 197 Ca 0.39 -1.93 0.04 0.00 0.82 0.00 0.00 66.70 66.03 3ir6 h VAL 197 Cb 0.63 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 3ir6 h VAL 197 CO -0.97 0.61 0.41 0.28 0.02 0.00 0.00 177.57 177.92 3ir6 h SER 198 N 0.46 0.60 0.02 0.57 0.02 -1.54 -0.15 113.55 113.53 3ir6 h SER 198 Ca -0.05 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 3ir6 h SER 198 Cb 1.34 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.76 3ir6 h SER 198 CO 0.15 0.41 -0.52 0.22 -1.14 0.00 0.00 176.83 175.95 3ir6 h TYR 199 N 0.70 0.48 -0.46 3.45 5.03 -1.17 -3.29 116.97 121.71 3ir6 h TYR 199 Ca 0.25 -0.28 0.10 0.00 2.58 0.00 0.00 58.73 61.38 3ir6 h TYR 199 Cb 0.13 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 3ir6 h TYR 199 CO -0.00 1.12 0.32 0.00 -1.32 0.00 0.00 178.16 178.27 3ir6 h ALA 200 N 0.25 2.17 0.17 1.82 0.00 -0.30 -3.03 119.26 120.34 3ir6 h ALA 200 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ir6 h ALA 200 Cb 1.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3ir6 h ALA 200 CO 0.10 -0.28 -0.30 0.66 0.00 0.00 0.00 179.25 179.43 3ir6 h SER 201 N 0.20 -0.86 -0.21 0.00 4.64 -1.11 0.20 113.55 116.40 3ir6 h SER 201 Ca 0.21 0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 3ir6 h SER 201 Cb 0.59 0.30 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 3ir6 h SER 201 CO -0.04 -0.35 -0.03 1.23 -0.87 0.00 0.00 176.83 176.78 3ir6 h GLY 202 N -0.50 0.56 1.18 -0.77 0.00 -1.75 -2.84 103.07 98.96 3ir6 h GLY 202 Ca -0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 3ir6 h GLY 202 CO -0.11 0.32 0.19 0.00 0.00 0.00 0.00 176.54 176.95 3ir6 h ALA 203 N 1.48 1.09 -0.36 3.60 0.00 -1.37 -0.70 119.26 123.00 3ir6 h ALA 203 Ca 0.10 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3ir6 h ALA 203 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ir6 h ALA 203 CO 0.01 0.62 -0.01 -0.09 0.00 0.00 0.00 179.25 179.78 3ir6 h ARG 204 N 0.98 0.65 -0.56 0.00 2.43 0.03 0.17 114.38 118.09 3ir6 h ARG 204 Ca 0.21 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 3ir6 h ARG 204 Cb 0.30 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3ir6 h ARG 204 CO -0.01 0.76 0.00 -0.92 -1.51 0.00 0.00 179.97 178.30 3ir6 h TYR 205 N 0.46 1.03 -0.30 2.20 5.03 -1.33 -1.10 116.97 122.95 3ir6 h TYR 205 Ca 0.10 -0.16 -0.15 0.00 2.58 0.00 0.00 58.73 61.10 3ir6 h TYR 205 Cb 0.47 -0.27 -0.00 0.00 1.55 0.00 0.00 36.73 38.48 3ir6 h TYR 205 CO 0.04 0.92 -0.41 -0.07 -1.32 0.00 0.00 178.16 177.31 3ir6 h LEU 206 N 0.88 0.88 -0.18 2.82 3.38 -0.93 -2.76 115.31 119.40 3ir6 h LEU 206 Ca 0.16 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3ir6 h LEU 206 Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ir6 h LEU 206 CO 0.02 1.21 0.08 0.28 0.09 0.00 0.00 178.44 180.12 3ir6 h SER 207 N 0.58 0.25 -0.22 -0.43 0.02 -0.47 0.58 113.55 113.86 3ir6 h SER 207 Ca 0.03 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3ir6 h SER 207 Cb 1.01 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 3ir6 h SER 207 CO 0.10 0.34 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.03 3ir6 h LEU 208 N 0.15 -0.14 0.00 5.07 3.38 -1.23 -1.77 115.31 120.77 3ir6 h LEU 208 Ca 0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ir6 h LEU 208 Cb 0.16 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ir6 h LEU 208 CO -0.01 -0.04 0.00 2.30 0.09 0.00 0.00 178.44 180.78 3ir6 n ILE 209 N -5.17 0.00 -0.69 1.22 -5.35 -1.04 -4.89 119.36 103.44 3ir6 n ILE 209 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 3ir6 n ILE 209 Cb 0.12 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.50 3ir6 n ILE 209 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ir6 n GLY 210 N 0.91 0.70 3.75 3.28 0.00 -0.47 -4.71 105.19 108.64 3ir6 n GLY 210 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 3ir6 n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ir6 s GLY 211 N -1.93 1.68 0.13 -0.02 0.00 0.19 -3.60 107.32 103.77 3ir6 s GLY 211 Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 44.72 44.84 3ir6 s GLY 211 CO 0.00 0.69 0.64 -0.51 0.00 0.00 0.00 173.10 173.92 3ir6 s THR 212 N -2.85 4.64 -0.40 0.90 -4.23 0.33 -4.39 115.64 109.64 3ir6 s THR 212 Ca 0.62 1.28 -0.08 0.00 -1.18 0.00 0.00 61.69 62.33 3ir6 s THR 212 Cb -0.18 -3.92 0.07 0.00 1.34 0.00 0.00 72.50 69.81 3ir6 s THR 212 CO 0.56 0.44 0.23 0.00 -0.54 0.00 0.00 174.62 175.31 3ir6 s LEU 214 N 1.41 4.03 0.90 0.00 1.43 -0.98 -1.86 118.68 123.61 3ir6 s LEU 214 Ca 0.03 2.17 -0.13 0.00 -1.03 0.00 0.00 54.13 55.17 3ir6 s LEU 214 Cb -0.22 -4.27 0.17 0.00 0.03 0.00 0.00 46.19 41.90 3ir6 s LEU 214 CO 0.02 -0.77 1.25 -0.94 0.23 0.00 0.00 176.35 176.13 3ir6 s SER 215 N -1.51 3.52 0.00 2.29 1.04 0.74 -4.52 113.70 115.26 3ir6 s SER 215 Ca 0.62 0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.29 3ir6 s SER 215 Cb -0.25 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.47 3ir6 s SER 215 CO 0.30 -2.47 0.00 2.22 0.98 0.00 0.00 173.24 174.27 3ir6 n PHE 216 N -3.55 0.00 -0.24 5.02 1.16 -1.26 -4.44 117.46 114.15 3ir6 n PHE 216 Ca 0.14 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.70 3ir6 n PHE 216 Cb 0.60 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 38.55 3ir6 n PHE 216 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 3ir6 h TYR 217 N 0.00 0.75 0.11 2.97 3.20 -1.96 0.12 116.97 122.15 3ir6 h TYR 217 Ca 0.00 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.63 3ir6 h TYR 217 Cb 0.00 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.04 3ir6 h TYR 217 CO 0.00 0.40 -1.19 0.38 -1.64 0.00 0.00 178.16 176.10 3ir6 h ASP 218 N 0.77 0.48 -0.22 -2.11 -0.00 -1.88 0.19 116.42 113.64 3ir6 h ASP 218 Ca 0.29 -0.48 0.04 0.00 -0.00 0.00 0.00 57.03 56.87 3ir6 h ASP 218 Cb 0.10 -0.15 -0.04 0.00 -0.00 0.00 0.00 39.33 39.24 3ir6 h ASP 218 CO -0.14 1.35 -0.01 -0.25 -0.00 0.00 0.00 179.24 180.19 3ir6 h TRP 219 N 0.11 -0.03 0.00 4.15 -0.00 -1.61 -1.45 115.95 117.13 3ir6 h TRP 219 Ca -0.13 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.78 3ir6 h TRP 219 Cb 1.90 0.05 0.00 0.00 -0.00 0.00 0.00 29.16 31.11 3ir6 h TRP 219 CO 0.07 -0.04 0.00 1.88 -0.00 0.00 0.00 178.44 180.34 3ir6 h TYR 220 N 0.06 0.00 -0.50 2.65 -1.99 -0.90 -3.16 116.97 113.12 3ir6 h TYR 220 Ca 0.10 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.80 3ir6 h TYR 220 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 3ir6 h TYR 220 CO -0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 178.16 177.93 3ir6 n ASP 222 N 1.58 0.80 -4.68 0.00 10.43 -0.24 -4.68 116.55 119.76 3ir6 n ASP 222 Ca -0.01 0.35 -0.42 0.00 2.57 0.00 0.00 54.79 57.28 3ir6 n ASP 222 Cb 0.51 0.25 -0.03 0.00 1.84 0.00 0.00 41.12 43.69 3ir6 n ASP 222 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3ir6 s LEU 223 N -5.72 4.31 -0.66 0.64 2.96 0.49 -4.97 118.68 115.74 3ir6 s LEU 223 Ca -0.03 2.18 -0.17 0.00 -0.22 0.00 0.00 54.13 55.88 3ir6 s LEU 223 Cb 0.09 -3.55 0.14 0.00 0.50 0.00 0.00 46.19 43.36 3ir6 s LEU 223 CO 0.81 -0.82 0.70 -2.16 -1.32 0.00 0.00 176.35 173.56 3ir6 s PRO 224 N 3.09 3.19 0.54 0.98 0.04 -1.26 -4.92 135.00 136.67 3ir6 s PRO 224 Ca 0.68 -1.69 0.36 0.00 0.04 0.00 0.00 61.00 60.39 3ir6 s PRO 224 Cb -0.32 -4.37 1.54 0.00 0.04 0.00 0.00 34.50 31.39 3ir6 s PRO 224 CO 0.27 -1.46 1.82 -1.35 0.04 0.00 0.00 177.00 176.32 3ir6 h PRO 225 N 8.80 0.00 -0.16 0.56 0.11 -1.93 0.47 132.00 139.84 3ir6 h PRO 225 Ca -0.18 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.94 3ir6 h PRO 225 Cb 1.08 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3ir6 h PRO 225 CO 1.02 0.00 0.11 0.00 -0.21 0.00 0.00 178.00 178.92 3ir6 h ALA 226 N 1.43 1.93 0.25 -0.75 0.00 -1.91 -1.69 119.26 118.51 3ir6 h ALA 226 Ca 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 3ir6 h ALA 226 Cb 2.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.91 3ir6 h ALA 226 CO -0.01 0.06 -0.12 1.03 0.00 0.00 0.00 179.25 180.21 3ir6 h SER 227 N 0.18 -0.28 0.11 0.00 0.87 -0.34 0.14 113.55 114.24 3ir6 h SER 227 Ca 0.06 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.44 3ir6 h SER 227 Cb 0.03 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3ir6 h SER 227 CO -0.01 -0.04 -0.20 -0.65 -0.53 0.00 0.00 176.83 175.39 3ir6 h PRO 228 N -0.52 0.18 0.04 2.24 0.11 -1.42 0.40 132.00 133.03 3ir6 h PRO 228 Ca -0.03 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 3ir6 h PRO 228 Cb 0.38 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3ir6 h PRO 228 CO 0.06 0.39 -0.02 1.96 -0.21 0.00 0.00 178.00 180.18 3ir6 h GLN 229 N 0.17 -0.05 0.05 1.05 4.20 -1.03 0.11 115.11 119.62 3ir6 h GLN 229 Ca 0.03 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.48 3ir6 h GLN 229 Cb 0.46 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3ir6 h GLN 229 CO 0.03 0.14 -1.35 1.15 -0.67 0.00 0.00 178.83 178.13 3ir6 h THR 230 N -0.23 1.32 0.00 -0.54 2.02 -0.52 -3.41 112.91 111.55 3ir6 h THR 230 Ca -0.00 -3.03 0.00 0.00 0.77 0.00 0.00 66.41 64.15 3ir6 h THR 230 Cb 0.21 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3ir6 h THR 230 CO 0.01 0.81 0.00 0.79 0.37 0.00 0.00 175.52 177.50 3ir6 n TRP 231 N -3.34 0.00 -2.99 3.16 8.01 0.13 -1.55 117.44 120.86 3ir6 n TRP 231 Ca -0.10 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.87 3ir6 n TRP 231 Cb 1.01 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 30.34 3ir6 n TRP 231 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ir6 n GLY 232 N 0.37 -0.50 2.89 6.99 0.00 0.38 -3.47 105.19 111.85 3ir6 n GLY 232 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 3ir6 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ir6 s GLU 233 N -5.66 0.80 0.09 1.61 2.56 -1.25 -4.63 118.70 112.22 3ir6 s GLU 233 Ca 0.29 -0.10 -0.26 0.00 0.00 0.00 0.00 54.97 54.90 3ir6 s GLU 233 Cb -0.13 -0.82 -0.15 0.00 2.00 0.00 0.00 34.13 35.03 3ir6 s GLU 233 CO 0.36 -0.08 1.70 -0.56 -0.56 0.00 0.00 175.26 176.11 3ir6 h GLN 234 N 7.19 -0.30 -1.68 4.30 3.07 -1.88 -3.09 115.11 122.71 3ir6 h GLN 234 Ca -0.38 0.02 0.08 0.00 0.09 0.00 0.00 58.65 58.46 3ir6 h GLN 234 Cb 1.15 0.07 -0.25 0.00 0.08 0.00 0.00 27.48 28.53 3ir6 h GLN 234 CO 0.47 -0.20 0.24 0.99 0.09 0.00 0.00 178.83 180.42 3ir6 s THR 235 N -6.14 -0.05 -0.23 1.86 2.01 -1.26 -4.58 115.64 107.25 3ir6 s THR 235 Ca -0.15 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.76 3ir6 s THR 235 Cb 0.05 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.66 3ir6 s THR 235 CO 0.65 0.00 0.50 -0.62 -0.69 0.00 0.00 174.62 174.46 3ir6 s ASP 236 N 1.53 -0.60 0.18 3.53 3.68 -1.26 -5.11 116.67 118.61 3ir6 s ASP 236 Ca -0.09 1.17 -0.00 0.00 2.13 0.00 0.00 52.55 55.76 3ir6 s ASP 236 Cb -0.04 1.44 -0.04 0.00 -1.45 0.00 0.00 42.92 42.82 3ir6 s ASP 236 CO -0.17 -0.22 0.08 0.68 0.13 0.00 0.00 175.17 175.67 3ir6 s VAL 237 N 2.27 0.27 0.62 1.11 -7.23 -1.26 -4.74 120.40 111.45 3ir6 s VAL 237 Ca -0.06 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 57.99 3ir6 s VAL 237 Cb -0.10 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 3ir6 s VAL 237 CO -0.15 -0.24 1.09 -2.16 -0.31 0.00 0.00 175.10 173.33 3ir6 s PRO 238 N -4.05 3.03 0.53 4.82 0.04 -1.26 -4.09 135.00 134.02 3ir6 s PRO 238 Ca 0.31 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 3ir6 s PRO 238 Cb 0.07 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 3ir6 s PRO 238 CO 0.08 -1.06 0.94 -1.83 0.04 0.00 0.00 177.00 175.17 3ir6 s GLU 239 N -4.01 3.73 0.53 4.56 -1.05 -0.62 -4.86 118.70 116.99 3ir6 s GLU 239 Ca 0.66 0.70 0.27 0.00 -0.15 0.00 0.00 54.97 56.45 3ir6 s GLU 239 Cb -0.19 -2.19 1.42 0.00 -0.44 0.00 0.00 34.13 32.73 3ir6 s GLU 239 CO 0.38 -0.34 1.98 0.66 0.95 0.00 0.00 175.26 178.89 3ir6 h SER 240 N 0.40 0.00 -0.88 0.83 4.64 -1.52 0.24 113.55 117.26 3ir6 h SER 240 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 3ir6 h SER 240 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 3ir6 h SER 240 CO 0.62 0.00 0.50 0.00 -0.87 0.00 0.00 176.83 177.08 3ir6 h ALA 241 N 1.70 1.22 0.00 5.18 0.00 -1.93 -1.62 119.26 123.80 3ir6 h ALA 241 Ca 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ir6 h ALA 241 Cb 1.13 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3ir6 h ALA 241 CO -0.00 0.64 -0.04 0.22 0.00 0.00 0.00 179.25 180.07 3ir6 h ASP 242 N 1.23 0.00 -0.51 0.00 3.58 -0.83 -1.05 116.42 118.84 3ir6 h ASP 242 Ca 0.31 0.00 0.15 0.00 0.42 0.00 0.00 57.03 57.91 3ir6 h ASP 242 Cb -0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3ir6 h ASP 242 CO -0.05 0.04 0.39 -0.50 -2.88 0.00 0.00 179.24 176.23 3ir6 h TRP 243 N 0.00 0.00 0.00 0.28 6.55 -1.29 0.17 115.95 121.66 3ir6 h TRP 243 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3ir6 h TRP 243 Cb 0.14 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 3ir6 h TRP 243 CO 0.00 0.00 0.00 0.98 -1.05 0.00 0.00 178.44 178.37 3ir6 n TYR 244 N -4.26 0.00 -0.27 0.49 4.19 -0.40 -2.14 117.16 114.77 3ir6 n TYR 244 Ca 0.09 0.00 0.08 0.00 3.31 0.00 0.00 57.90 61.39 3ir6 n TYR 244 Cb 0.60 -0.26 0.23 0.00 0.49 0.00 0.00 39.34 40.41 3ir6 n TYR 244 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 3ir6 n ASN 245 N -1.26 3.42 -4.81 2.98 5.03 0.59 -4.93 115.26 116.28 3ir6 n ASN 245 Ca 0.10 -2.01 -0.36 0.00 0.87 0.00 0.00 54.58 53.18 3ir6 n ASN 245 Cb 0.15 -0.35 -0.07 0.00 -1.02 0.00 0.00 39.78 38.48 3ir6 n ASN 245 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3ir6 s SER 246 N -1.00 6.02 0.00 6.41 0.15 -0.91 -4.10 113.70 120.26 3ir6 s SER 246 Ca 0.35 0.35 0.18 0.00 0.70 0.00 0.00 55.95 57.54 3ir6 s SER 246 Cb 0.18 -1.89 -0.02 0.00 -1.71 0.00 0.00 66.02 62.58 3ir6 s SER 246 CO 0.24 0.38 0.92 -1.54 1.20 0.00 0.00 173.24 174.44 3ir6 n SER 247 N 2.15 1.68 -3.61 5.45 3.41 -1.00 -4.77 113.62 116.93 3ir6 n SER 247 Ca -0.19 -1.34 -0.13 0.00 -0.26 0.00 0.00 58.87 56.95 3ir6 n SER 247 Cb 0.54 0.52 -0.12 0.00 -0.26 0.00 0.00 64.21 64.89 3ir6 n SER 247 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3ir6 s TYR 248 N -2.15 -0.49 -0.02 7.33 5.04 -1.22 -2.60 117.35 123.23 3ir6 s TYR 248 Ca 0.14 0.94 0.04 0.00 -2.44 0.00 0.00 57.07 55.75 3ir6 s TYR 248 Cb 0.15 -0.03 -0.00 0.00 0.35 0.00 0.00 41.96 42.42 3ir6 s TYR 248 CO 0.49 -0.43 -0.14 0.42 -1.34 0.00 0.00 175.55 174.55 3ir6 s ILE 249 N 2.44 1.11 -0.13 3.14 1.01 -0.34 -1.24 121.20 127.20 3ir6 s ILE 249 Ca 0.03 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3ir6 s ILE 249 Cb -0.13 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.40 3ir6 s ILE 249 CO -0.10 0.32 -0.21 -0.63 0.00 0.00 0.00 174.94 174.32 3ir6 s ILE 250 N -0.09 1.95 -0.55 2.92 1.01 -1.00 -1.23 121.20 124.22 3ir6 s ILE 250 Ca 0.01 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 3ir6 s ILE 250 Cb -0.08 -1.73 0.12 0.00 0.01 0.00 0.00 42.46 40.78 3ir6 s ILE 250 CO 0.00 0.53 0.54 0.00 0.00 0.00 0.00 174.94 176.02 3ir6 s ALA 251 N 0.80 3.58 -0.41 9.38 0.00 0.15 -0.60 121.76 134.67 3ir6 s ALA 251 Ca -0.08 -2.42 -0.07 0.00 0.00 0.00 0.00 51.96 49.39 3ir6 s ALA 251 Cb -0.16 -3.32 0.09 0.00 0.00 0.00 0.00 23.12 19.73 3ir6 s ALA 251 CO -0.01 -2.08 0.23 -0.46 0.00 0.00 0.00 175.76 173.44 3ir6 s TRP 252 N 1.88 3.40 -0.85 0.00 -0.11 0.10 -1.76 118.94 121.60 3ir6 s TRP 252 Ca 0.05 -1.83 -0.02 0.00 1.22 0.00 0.00 56.10 55.52 3ir6 s TRP 252 Cb -0.28 -2.99 0.00 0.00 -1.50 0.00 0.00 33.47 28.70 3ir6 s TRP 252 CO 0.04 -0.89 0.24 0.41 -4.62 0.00 0.00 176.95 172.13 3ir6 n GLY 253 N 4.80 0.02 2.64 5.86 0.00 -1.07 -3.18 105.19 114.25 3ir6 n GLY 253 Ca -0.08 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 3ir6 n GLY 253 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ir6 s SER 254 N -2.76 2.46 -1.38 1.61 0.15 -1.26 -1.26 113.70 111.27 3ir6 s SER 254 Ca 0.12 -0.66 -0.12 0.00 0.70 0.00 0.00 55.95 55.99 3ir6 s SER 254 Cb -0.05 -0.32 0.10 0.00 -1.71 0.00 0.00 66.02 64.04 3ir6 s SER 254 CO 0.15 -0.34 2.07 -3.20 1.20 0.00 0.00 173.24 173.12 3ir6 n ASN 255 N 5.23 4.42 -0.24 5.45 5.15 -1.26 -4.85 115.26 129.15 3ir6 n ASN 255 Ca -0.07 -2.96 -0.06 0.00 -0.60 0.00 0.00 54.58 50.89 3ir6 n ASN 255 Cb 0.49 -1.58 -0.01 0.00 -0.53 0.00 0.00 39.78 38.15 3ir6 n ASN 255 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3ir6 h VAL 256 N 3.89 0.10 -0.35 3.44 2.07 -1.95 -0.66 116.25 122.79 3ir6 h VAL 256 Ca 0.49 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.00 3ir6 h VAL 256 Cb 0.64 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3ir6 h VAL 256 CO 1.77 0.00 0.18 1.55 0.02 0.00 0.00 177.57 181.09 3ir6 h PRO 257 N -0.15 0.48 0.14 1.57 0.13 -1.89 0.36 132.00 132.64 3ir6 h PRO 257 Ca 0.23 -0.05 -0.31 0.00 -0.87 0.00 0.00 66.00 65.00 3ir6 h PRO 257 Cb 0.56 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.59 3ir6 h PRO 257 CO -0.75 0.37 -1.53 0.37 -0.23 0.00 0.00 178.00 176.23 3ir6 h GLN 258 N 0.49 0.30 0.00 0.86 4.15 -1.82 -3.27 115.11 115.82 3ir6 h GLN 258 Ca 0.13 -0.52 0.00 0.00 0.77 0.00 0.00 58.65 59.03 3ir6 h GLN 258 Cb 0.04 0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3ir6 h GLN 258 CO -0.02 1.19 -0.95 0.25 -1.93 0.00 0.00 178.83 177.37 3ir6 n THR 259 N -3.51 0.00 -2.36 2.39 -2.24 -0.31 -4.47 114.28 103.79 3ir6 n THR 259 Ca -0.17 -0.17 -0.04 0.00 -2.27 0.00 0.00 64.05 61.40 3ir6 n THR 259 Cb 1.05 0.84 0.06 0.00 -2.10 0.00 0.00 70.33 70.18 3ir6 n THR 259 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3ir6 n ARG 260 N -1.51 1.80 -0.37 -0.78 3.00 0.12 -4.98 116.66 113.94 3ir6 n ARG 260 Ca 0.02 -3.31 -0.07 0.00 -0.00 0.00 0.00 57.85 54.49 3ir6 n ARG 260 Cb 0.29 -1.42 -0.05 0.00 0.00 0.00 0.00 32.46 31.27 3ir6 n ARG 260 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3ir6 n THR 261 N -0.46 -0.58 0.26 5.15 -1.04 -1.19 -0.89 114.28 115.53 3ir6 n THR 261 Ca 0.18 2.19 0.17 0.00 -2.04 0.00 0.00 64.05 64.55 3ir6 n THR 261 Cb 0.90 -2.77 0.89 0.00 -1.82 0.00 0.00 70.33 67.54 3ir6 n THR 261 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3ir6 h PRO 262 N 0.00 0.00 0.00 -2.82 0.13 -1.90 -2.66 132.00 124.76 3ir6 h PRO 262 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3ir6 h PRO 262 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 3ir6 h PRO 262 CO -0.88 0.00 -1.65 -0.25 -0.23 0.00 0.00 178.00 174.99 3ir6 n ASP 263 N -2.67 1.52 -0.36 1.44 8.00 -0.07 -4.54 116.55 119.88 3ir6 n ASP 263 Ca -0.02 -0.03 0.32 0.00 0.71 0.00 0.00 54.79 55.77 3ir6 n ASP 263 Cb 0.08 1.66 0.58 0.00 -0.02 0.00 0.00 41.12 43.43 3ir6 n ASP 263 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ir6 h ALA 264 N 1.40 2.28 -0.36 2.24 0.00 -0.89 0.21 119.26 124.14 3ir6 h ALA 264 Ca 0.00 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.23 3ir6 h ALA 264 Cb 0.68 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3ir6 h ALA 264 CO 0.00 -1.00 0.29 1.12 0.00 0.00 0.00 179.25 179.66 3ir6 h HIS 265 N 0.08 0.00 0.00 0.00 2.07 -1.83 0.34 115.15 115.82 3ir6 h HIS 265 Ca 0.82 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 58.30 3ir6 h HIS 265 Cb 2.24 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 32.21 3ir6 h HIS 265 CO -0.01 0.00 -0.21 0.74 -3.07 0.00 0.00 177.93 175.38 3ir6 h PHE 266 N 0.00 0.00 0.17 6.12 -1.00 -1.28 0.15 116.94 121.10 3ir6 h PHE 266 Ca 0.17 0.00 -0.31 0.00 2.81 0.00 0.00 57.97 60.64 3ir6 h PHE 266 Cb 0.75 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.34 3ir6 h PHE 266 CO 0.00 0.21 -1.34 0.35 -1.61 0.00 0.00 178.31 175.92 3ir6 h PHE 267 N 0.00 0.95 0.00 -0.55 3.04 -0.48 -2.13 116.94 117.76 3ir6 h PHE 267 Ca -0.00 -0.64 -0.04 0.00 3.98 0.00 0.00 57.97 61.27 3ir6 h PHE 267 Cb 0.37 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 3ir6 h PHE 267 CO 0.00 1.49 -0.18 1.79 -2.02 0.00 0.00 178.31 179.39 3ir6 h THR 268 N 0.21 0.30 0.12 4.41 1.35 -0.97 -3.29 112.91 115.04 3ir6 h THR 268 Ca -0.21 -1.41 -0.32 0.00 -0.55 0.00 0.00 66.41 63.93 3ir6 h THR 268 Cb 2.02 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 70.56 3ir6 h THR 268 CO 0.25 0.17 -1.62 -0.33 -0.25 0.00 0.00 175.52 173.74 3ir6 h GLU 269 N 0.00 0.25 0.00 4.72 5.08 -0.79 -3.31 114.58 120.54 3ir6 h GLU 269 Ca -0.00 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3ir6 h GLU 269 Cb 1.12 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 3ir6 h GLU 269 CO 0.02 1.11 -0.04 -0.24 -1.00 0.00 0.00 179.01 178.86 3ir6 h VAL 270 N 0.07 0.18 0.00 3.13 3.04 -1.45 -0.85 116.25 120.36 3ir6 h VAL 270 Ca -0.28 -0.34 -0.00 0.00 -1.01 0.00 0.00 66.70 65.07 3ir6 h VAL 270 Cb 2.03 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 32.59 3ir6 h VAL 270 CO 0.15 0.04 -0.00 0.03 -1.01 0.00 0.00 177.57 176.78 3ir6 h ARG 271 N 0.00 0.00 -0.00 4.17 3.08 -1.65 -1.34 114.38 118.64 3ir6 h ARG 271 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ir6 h ARG 271 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3ir6 h ARG 271 CO 0.00 0.00 -0.28 0.66 -1.07 0.00 0.00 179.97 179.28 3ir6 n TYR 272 N -3.09 0.00 1.23 3.04 4.01 -0.32 -3.17 117.16 118.86 3ir6 n TYR 272 Ca -0.02 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.85 3ir6 n TYR 272 Cb 0.14 -0.23 0.38 0.00 -0.31 0.00 0.00 39.34 39.32 3ir6 n TYR 272 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3ir6 n LYS 273 N -1.14 1.88 0.00 -0.72 4.81 -0.51 -4.90 118.16 117.57 3ir6 n LYS 273 Ca 0.10 -1.30 0.00 0.00 -0.87 0.00 0.00 58.31 56.24 3ir6 n LYS 273 Cb 0.33 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.92 3ir6 n LYS 273 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ir6 n GLY 274 N 1.23 0.70 3.73 3.14 0.00 -1.19 -5.08 105.19 107.71 3ir6 n GLY 274 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ir6 n GLY 274 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ir6 s THR 275 N -2.00 3.61 0.09 2.61 2.01 -1.17 -4.98 115.64 115.81 3ir6 s THR 275 Ca 0.00 1.26 -0.13 0.00 0.31 0.00 0.00 61.69 63.13 3ir6 s THR 275 Cb 0.00 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 3ir6 s THR 275 CO 0.00 0.15 0.47 -0.75 -0.69 0.00 0.00 174.62 173.81 3ir6 s LYS 276 N 0.35 3.90 0.02 4.92 2.20 -1.07 -4.47 119.74 125.60 3ir6 s LYS 276 Ca 0.57 0.38 0.06 0.00 -0.36 0.00 0.00 55.97 56.62 3ir6 s LYS 276 Cb -0.33 -3.02 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 3ir6 s LYS 276 CO 0.34 0.55 -0.18 0.95 -0.36 0.00 0.00 175.35 176.65 3ir6 s THR 277 N -1.35 1.41 -0.02 3.43 -4.23 -1.26 -1.20 115.64 112.42 3ir6 s THR 277 Ca 0.33 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.86 3ir6 s THR 277 Cb -0.15 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.48 3ir6 s THR 277 CO 0.18 0.20 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.74 3ir6 s VAL 278 N -0.69 0.33 -0.16 2.29 1.01 -0.37 -1.26 120.40 121.55 3ir6 s VAL 278 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 3ir6 s VAL 278 Cb -0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 3ir6 s VAL 278 CO 0.01 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.26 3ir6 s ALA 279 N 0.60 3.17 -0.39 5.51 0.00 -0.28 -0.67 121.76 129.70 3ir6 s ALA 279 Ca -0.07 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3ir6 s ALA 279 Cb -0.10 -1.70 0.11 0.00 0.00 0.00 0.00 23.12 21.43 3ir6 s ALA 279 CO -0.01 0.21 0.12 0.08 0.00 0.00 0.00 175.76 176.17 3ir6 s VAL 280 N 0.33 2.57 -0.03 0.00 1.01 -0.73 -0.93 120.40 122.62 3ir6 s VAL 280 Ca -0.01 -2.43 -0.06 0.00 0.00 0.00 0.00 61.98 59.48 3ir6 s VAL 280 Cb -0.13 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.41 3ir6 s VAL 280 CO 0.02 -0.65 0.13 0.42 0.00 0.00 0.00 175.10 175.02 3ir6 s THR 281 N 0.76 0.04 0.31 3.92 -4.23 -0.63 -2.60 115.64 113.21 3ir6 s THR 281 Ca 0.11 -0.30 0.19 0.00 -1.18 0.00 0.00 61.69 60.52 3ir6 s THR 281 Cb -0.21 -0.29 0.17 0.00 1.34 0.00 0.00 72.50 73.51 3ir6 s THR 281 CO -0.06 -0.16 1.87 1.55 -0.54 0.00 0.00 174.62 177.27 3ir6 h PRO 282 N 5.25 0.00 -6.07 3.99 0.13 -1.82 -3.32 132.00 130.16 3ir6 h PRO 282 Ca -0.27 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.33 3ir6 h PRO 282 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 3ir6 h PRO 282 CO 0.41 0.29 -0.45 0.16 -0.23 0.00 0.00 178.00 178.18 3ir6 s ASP 283 N -6.52 4.80 -0.99 1.44 3.84 -1.26 -4.53 116.67 113.45 3ir6 s ASP 283 Ca -0.02 -0.84 -0.19 0.00 -0.00 0.00 0.00 52.55 51.50 3ir6 s ASP 283 Cb 0.13 -0.59 0.12 0.00 -1.38 0.00 0.00 42.92 41.19 3ir6 s ASP 283 CO 0.67 -0.54 1.25 -0.47 -0.00 0.00 0.00 175.17 176.08 3ir6 s TYR 284 N -2.50 3.03 0.70 2.11 6.14 -0.89 -4.96 117.35 120.99 3ir6 s TYR 284 Ca 0.44 -1.37 -0.11 0.00 0.64 0.00 0.00 57.07 56.66 3ir6 s TYR 284 Cb -0.01 -4.38 0.01 0.00 0.42 0.00 0.00 41.96 38.00 3ir6 s TYR 284 CO 0.25 -1.58 1.08 0.00 0.64 0.00 0.00 175.55 175.94 3ir6 s ALA 285 N 3.07 2.77 0.38 3.97 0.00 -1.26 -4.92 121.76 125.77 3ir6 s ALA 285 Ca 0.37 -0.19 0.11 0.00 0.00 0.00 0.00 51.96 52.25 3ir6 s ALA 285 Cb -0.03 -3.08 0.89 0.00 0.00 0.00 0.00 23.12 20.89 3ir6 s ALA 285 CO -0.08 -1.17 1.89 0.93 0.00 0.00 0.00 175.76 177.33 3ir6 h GLU 286 N -0.68 0.59 -0.98 0.00 5.08 -1.96 0.16 114.58 116.80 3ir6 h GLU 286 Ca -0.45 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 57.96 3ir6 h GLU 286 Cb 1.23 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.28 3ir6 h GLU 286 CO 0.61 0.39 0.63 0.97 -1.00 0.00 0.00 179.01 180.61 3ir6 h ILE 287 N 0.61 1.03 -0.81 3.13 -0.00 -1.90 -1.68 117.51 117.89 3ir6 h ILE 287 Ca 0.41 -0.37 0.08 0.00 -0.00 0.00 0.00 64.86 64.98 3ir6 h ILE 287 Cb 0.72 -0.14 -0.07 0.00 -0.00 0.00 0.00 36.82 37.33 3ir6 h ILE 287 CO -0.17 0.20 0.47 0.00 -0.00 0.00 0.00 178.15 178.65 3ir6 h ALA 288 N 1.50 1.14 -1.19 0.18 0.00 -1.03 -2.28 119.26 117.58 3ir6 h ALA 288 Ca 0.44 0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.71 3ir6 h ALA 288 Cb 0.27 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3ir6 h ALA 288 CO -0.19 0.13 0.91 -0.22 0.00 0.00 0.00 179.25 179.88 3ir6 h LYS 289 N 0.82 0.00 -0.61 0.00 3.11 -1.32 -0.99 116.57 117.58 3ir6 h LYS 289 Ca 0.38 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 3ir6 h LYS 289 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 3ir6 h LYS 289 CO -0.22 0.00 0.00 1.28 -2.81 0.00 0.00 179.45 177.70 3ir6 n LEU 290 N -4.02 3.65 -4.82 5.20 4.77 -0.86 -5.02 117.00 115.90 3ir6 n LEU 290 Ca 0.26 -1.94 -0.24 0.00 -0.03 0.00 0.00 56.01 54.05 3ir6 n LEU 290 Cb 1.30 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.94 3ir6 n LEU 290 CO 0.38 0.90 -0.06 0.00 -1.33 0.00 0.00 177.39 177.28 3ir6 n ASP 292 N -1.45 0.64 -3.69 0.00 8.00 -0.39 -4.92 116.55 114.74 3ir6 n ASP 292 Ca -0.00 -0.09 -0.14 0.00 0.71 0.00 0.00 54.79 55.27 3ir6 n ASP 292 Cb 0.64 0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 42.23 3ir6 n ASP 292 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ir6 s LEU 293 N -4.04 0.26 -0.16 0.64 2.96 -1.16 -5.02 118.68 112.16 3ir6 s LEU 293 Ca 0.05 0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 54.49 3ir6 s LEU 293 Cb 0.14 1.70 0.04 0.00 0.50 0.00 0.00 46.19 48.57 3ir6 s LEU 293 CO 0.77 -0.39 -0.04 0.86 -1.32 0.00 0.00 176.35 176.24 3ir6 s TRP 294 N -0.73 1.57 -0.17 5.38 -0.00 -1.26 -1.13 118.94 122.60 3ir6 s TRP 294 Ca -0.08 -1.02 -0.04 0.00 -0.00 0.00 0.00 56.10 54.96 3ir6 s TRP 294 Cb -0.03 -1.25 -0.03 0.00 -0.00 0.00 0.00 33.47 32.16 3ir6 s TRP 294 CO 0.04 -0.60 -0.03 -0.51 -0.00 0.00 0.00 176.95 175.85 3ir6 s LEU 295 N 1.68 3.25 -0.75 5.86 1.43 -0.11 -5.01 118.68 125.04 3ir6 s LEU 295 Ca 0.01 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3ir6 s LEU 295 Cb -0.15 -1.79 0.22 0.00 0.03 0.00 0.00 46.19 44.49 3ir6 s LEU 295 CO -0.07 0.15 0.70 0.00 0.23 0.00 0.00 176.35 177.35 3ir6 n ALA 296 N 3.69 3.83 -1.14 4.21 0.00 -1.25 -1.60 120.51 128.25 3ir6 n ALA 296 Ca -0.17 -4.65 -0.32 0.00 0.00 0.00 0.00 53.44 48.30 3ir6 n ALA 296 Cb 0.52 -1.21 0.11 0.00 0.00 0.00 0.00 19.45 18.88 3ir6 n ALA 296 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ir6 s PRO 297 N -1.88 1.95 0.12 0.00 0.04 -1.26 -4.72 135.00 129.25 3ir6 s PRO 297 Ca 0.31 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 3ir6 s PRO 297 Cb 0.02 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.62 3ir6 s PRO 297 CO -0.09 -1.90 1.69 0.21 0.04 0.00 0.00 177.00 176.95 3ir6 s LYS 298 N -4.62 4.17 0.29 4.56 2.47 -0.76 -3.93 119.74 121.92 3ir6 s LYS 298 Ca 0.65 2.45 -0.28 0.00 -1.56 0.00 0.00 55.97 57.23 3ir6 s LYS 298 Cb -0.20 -3.44 -0.14 0.00 -1.46 0.00 0.00 37.83 32.59 3ir6 s LYS 298 CO 0.54 -0.74 0.99 0.00 0.16 0.00 0.00 175.35 176.30 3ir6 n GLN 299 N 5.07 1.31 -1.00 4.03 0.00 -1.26 -2.15 117.38 123.38 3ir6 n GLN 299 Ca 0.16 0.46 0.00 0.00 0.00 0.00 0.00 57.00 57.62 3ir6 n GLN 299 Cb 0.39 -1.82 0.00 0.00 0.00 0.00 0.00 30.24 28.81 3ir6 n GLN 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ir6 n GLY 300 N 1.24 0.50 0.13 2.61 0.00 -1.26 -4.89 105.19 103.52 3ir6 n GLY 300 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 3ir6 n GLY 300 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ir6 n THR 301 N -2.95 1.65 -0.30 2.61 -2.24 -0.91 -4.40 114.28 107.74 3ir6 n THR 301 Ca 0.00 -1.86 -0.03 0.00 -2.27 0.00 0.00 64.05 59.89 3ir6 n THR 301 Cb 0.01 -0.02 0.13 0.00 -2.10 0.00 0.00 70.33 68.35 3ir6 n THR 301 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ir6 h ASP 302 N 0.19 1.06 -0.95 3.42 3.32 -1.90 -2.84 116.42 118.71 3ir6 h ASP 302 Ca 0.00 -0.09 0.20 0.00 0.02 0.00 0.00 57.03 57.16 3ir6 h ASP 302 Cb 0.89 -0.27 -0.11 0.00 0.22 0.00 0.00 39.33 40.06 3ir6 h ASP 302 CO 0.02 0.85 0.53 0.00 -1.72 0.00 0.00 179.24 178.91 3ir6 h ALA 303 N 1.33 1.57 0.19 3.45 0.00 -1.87 -0.99 119.26 122.94 3ir6 h ALA 303 Ca 0.30 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.32 3ir6 h ALA 303 Cb 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3ir6 h ALA 303 CO -0.05 -0.15 -0.51 0.00 0.00 0.00 0.00 179.25 178.54 3ir6 h ALA 304 N 1.65 -1.02 -0.88 0.00 0.00 -1.88 0.12 119.26 117.25 3ir6 h ALA 304 Ca 0.56 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.48 3ir6 h ALA 304 Cb 0.94 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 19.49 3ir6 h ALA 304 CO -0.42 -1.12 0.49 1.98 0.00 0.00 0.00 179.25 180.18 3ir6 h MET 305 N -0.78 0.72 -0.49 0.00 -1.53 -1.38 0.45 114.93 111.92 3ir6 h MET 305 Ca -0.02 -0.04 -0.07 0.00 -3.44 0.00 0.00 59.70 56.13 3ir6 h MET 305 Cb 0.75 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 31.62 3ir6 h MET 305 CO -0.23 0.47 0.03 0.00 0.14 0.00 0.00 176.91 177.32 3ir6 h ALA 306 N 1.54 1.13 -0.47 0.39 0.00 -0.57 -1.89 119.26 119.39 3ir6 h ALA 306 Ca 0.47 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3ir6 h ALA 306 Cb 0.59 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3ir6 h ALA 306 CO -0.32 0.56 0.14 -0.07 0.00 0.00 0.00 179.25 179.56 3ir6 h LEU 307 N 0.75 0.69 -1.14 0.00 3.38 0.13 0.56 115.31 119.68 3ir6 h LEU 307 Ca 0.15 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3ir6 h LEU 307 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3ir6 h LEU 307 CO 0.01 0.72 -0.25 0.00 0.09 0.00 0.00 178.44 179.01 3ir6 h ALA 308 N 1.00 1.28 -0.02 1.53 0.00 -1.06 0.15 119.26 122.13 3ir6 h ALA 308 Ca 0.15 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 3ir6 h ALA 308 Cb 0.28 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ir6 h ALA 308 CO -0.00 0.48 -0.93 0.52 0.00 0.00 0.00 179.25 179.32 3ir6 h MET 309 N 0.26 0.67 -0.58 0.00 2.86 -1.07 -1.67 114.93 115.41 3ir6 h MET 309 Ca 0.04 -0.69 -0.01 0.00 -2.06 0.00 0.00 59.70 56.98 3ir6 h MET 309 Cb 0.59 0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 3ir6 h MET 309 CO 0.04 1.28 0.32 0.78 1.06 0.00 0.00 176.91 180.39 3ir6 h GLY 310 N 0.34 0.86 0.15 8.32 0.00 -0.60 -1.93 103.07 110.21 3ir6 h GLY 310 Ca -0.11 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 46.86 3ir6 h GLY 310 CO 0.18 0.37 -0.45 0.84 0.00 0.00 0.00 176.54 177.48 3ir6 h HIS 311 N 0.78 -1.28 -0.96 5.60 6.17 -0.64 -0.76 115.15 124.06 3ir6 h HIS 311 Ca 0.20 0.04 0.11 0.00 0.71 0.00 0.00 60.37 61.43 3ir6 h HIS 311 Cb 0.04 0.56 -0.08 0.00 2.52 0.00 0.00 27.41 30.44 3ir6 h HIS 311 CO -0.01 -0.53 0.59 0.28 0.71 0.00 0.00 177.93 178.97 3ir6 h VAL 312 N -0.63 0.92 0.20 5.26 2.07 -1.15 -1.26 116.25 121.66 3ir6 h VAL 312 Ca 0.03 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3ir6 h VAL 312 Cb 0.69 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3ir6 h VAL 312 CO -0.30 0.17 -0.09 0.24 0.02 0.00 0.00 177.57 177.60 3ir6 h MET 313 N 0.95 -0.26 -0.44 1.57 2.86 -0.77 -0.62 114.93 118.22 3ir6 h MET 313 Ca 0.47 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 58.20 3ir6 h MET 313 Cb 0.45 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 3ir6 h MET 313 CO -0.26 -0.03 0.11 -0.07 1.06 0.00 0.00 176.91 177.72 3ir6 h LEU 314 N -0.44 0.06 0.21 1.22 3.38 -0.85 0.69 115.31 119.58 3ir6 h LEU 314 Ca -0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ir6 h LEU 314 Cb 0.34 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3ir6 h LEU 314 CO 0.04 0.07 -0.20 -0.09 0.09 0.00 0.00 178.44 178.35 3ir6 h ARG 315 N 0.26 -0.40 0.00 1.13 9.65 -1.13 -1.00 114.38 122.90 3ir6 h ARG 315 Ca 0.22 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.09 3ir6 h ARG 315 Cb 0.25 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 3ir6 h ARG 315 CO -0.26 -0.26 -0.16 0.93 2.80 0.00 0.00 179.97 183.02 3ir6 h GLU 316 N -0.41 0.00 0.00 0.20 5.08 -0.93 0.18 114.58 118.70 3ir6 h GLU 316 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ir6 h GLU 316 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ir6 h GLU 316 CO -0.02 0.16 -0.34 1.19 -1.00 0.00 0.00 179.01 179.00 3ir6 n PHE 317 N -3.22 0.00 -0.03 4.33 3.72 0.24 -3.40 117.46 119.10 3ir6 n PHE 317 Ca 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 3ir6 n PHE 317 Cb 0.47 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 3ir6 n PHE 317 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3ir6 n HIS 318 N -1.18 0.00 0.00 1.38 8.25 -0.63 -1.74 115.22 121.30 3ir6 n HIS 318 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3ir6 n HIS 318 Cb 0.08 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.96 3ir6 n HIS 318 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ir6 n LEU 319 N -2.43 0.03 -0.16 2.41 4.32 -0.48 -4.26 117.00 116.43 3ir6 n LEU 319 Ca -0.09 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.79 3ir6 n LEU 319 Cb 0.63 -0.13 -0.09 0.00 -1.62 0.00 0.00 43.42 42.22 3ir6 n LEU 319 CO 0.08 -0.13 0.50 0.44 -1.22 0.00 0.00 177.39 177.05 3ir6 h ASP 320 N 0.00 -1.64 -3.59 -1.43 3.45 -1.20 -3.30 116.42 108.71 3ir6 h ASP 320 Ca 0.00 0.22 -0.62 0.00 0.43 0.00 0.00 57.03 57.06 3ir6 h ASP 320 Cb 0.00 0.68 -0.40 0.00 -0.56 0.00 0.00 39.33 39.05 3ir6 h ASP 320 CO 0.00 -0.32 -0.71 0.21 -1.57 0.00 0.00 179.24 176.85 3ir6 s ASN 321 N -4.78 3.78 0.34 6.45 2.47 -1.22 -5.06 114.94 116.92 3ir6 s ASN 321 Ca -0.12 -2.84 -0.28 0.00 0.42 0.00 0.00 52.86 50.04 3ir6 s ASN 321 Cb 0.08 -1.18 -0.12 0.00 -1.45 0.00 0.00 41.25 38.57 3ir6 s ASN 321 CO 0.52 -0.24 1.32 -0.81 -3.72 0.00 0.00 177.10 174.17 3ir6 n PRO 322 N 3.28 2.17 -3.65 0.43 -0.04 -1.25 -4.33 135.00 131.60 3ir6 n PRO 322 Ca 0.10 0.76 -0.37 0.00 -0.04 0.00 0.00 63.50 63.95 3ir6 n PRO 322 Cb 0.35 -2.36 -0.10 0.00 -0.04 0.00 0.00 33.50 31.34 3ir6 n PRO 322 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ir6 s SER 323 N -0.24 6.02 0.20 3.54 0.15 -0.71 -4.97 113.70 117.69 3ir6 s SER 323 Ca 0.56 0.05 -0.10 0.00 0.70 0.00 0.00 55.95 57.16 3ir6 s SER 323 Cb -0.57 -2.10 0.23 0.00 -1.71 0.00 0.00 66.02 61.87 3ir6 s SER 323 CO 0.61 0.02 1.77 -0.61 1.20 0.00 0.00 173.24 176.24 3ir6 h GLN 324 N 7.85 0.50 0.09 5.44 4.15 -1.94 0.77 115.11 131.99 3ir6 h GLN 324 Ca -0.37 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.02 3ir6 h GLN 324 Cb 1.18 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.76 3ir6 h GLN 324 CO 0.61 0.33 -0.05 -0.92 -1.93 0.00 0.00 178.83 176.88 3ir6 h TYR 325 N 0.52 -0.12 -0.59 3.99 3.20 -1.94 -2.21 116.97 119.82 3ir6 h TYR 325 Ca 0.28 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 3ir6 h TYR 325 Cb 0.26 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3ir6 h TYR 325 CO -0.12 0.14 0.03 0.74 -1.64 0.00 0.00 178.16 177.31 3ir6 h PHE 326 N -0.37 1.09 -0.15 -3.82 0.05 -1.82 -2.10 116.94 109.82 3ir6 h PHE 326 Ca -0.01 -0.17 -0.01 0.00 3.82 0.00 0.00 57.97 61.59 3ir6 h PHE 326 Cb 0.31 -0.29 -0.01 0.00 2.00 0.00 0.00 35.95 37.97 3ir6 h PHE 326 CO 0.01 0.96 0.05 1.15 -0.18 0.00 0.00 178.31 180.30 3ir6 h THR 327 N 0.94 1.18 -0.75 -1.55 2.02 -0.87 -1.26 112.91 112.61 3ir6 h THR 327 Ca 0.17 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3ir6 h THR 327 Cb 0.51 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3ir6 h THR 327 CO 0.02 0.16 0.34 -0.78 0.37 0.00 0.00 175.52 175.64 3ir6 h ASP 328 N 0.07 1.01 0.17 4.18 3.58 -1.39 -2.14 116.42 121.90 3ir6 h ASP 328 Ca 0.05 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.36 3ir6 h ASP 328 Cb 0.21 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3ir6 h ASP 328 CO -0.00 0.88 -0.21 0.22 -2.88 0.00 0.00 179.24 177.24 3ir6 h TYR 329 N 1.07 -0.55 0.00 0.28 5.03 -1.18 -0.81 116.97 120.81 3ir6 h TYR 329 Ca 0.26 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.53 3ir6 h TYR 329 Cb 0.16 0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 3ir6 h TYR 329 CO 0.01 -0.31 -0.22 -0.39 -1.32 0.00 0.00 178.16 175.94 3ir6 h VAL 330 N -0.43 0.76 0.16 1.81 -1.51 -1.18 0.50 116.25 116.36 3ir6 h VAL 330 Ca 0.01 -0.89 -0.01 0.00 -1.23 0.00 0.00 66.70 64.58 3ir6 h VAL 330 Cb 0.42 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3ir6 h VAL 330 CO -0.08 0.21 -0.08 -0.09 -1.23 0.00 0.00 177.57 176.31 3ir6 h ARG 331 N 0.00 -0.21 0.00 5.19 2.43 -0.90 -2.82 114.38 118.08 3ir6 h ARG 331 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ir6 h ARG 331 Cb 0.53 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3ir6 h ARG 331 CO 0.03 0.18 -0.33 0.54 -1.51 0.00 0.00 179.97 178.88 3ir6 n ARG 332 N -4.99 0.26 0.00 0.20 1.74 -0.35 -4.40 116.66 109.12 3ir6 n ARG 332 Ca -0.09 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3ir6 n ARG 332 Cb 0.25 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 3ir6 n ARG 332 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ir6 n TYR 333 N -2.13 0.00 -4.72 -1.55 0.53 0.16 -5.00 117.16 104.44 3ir6 n TYR 333 Ca 0.04 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.61 3ir6 n TYR 333 Cb 0.43 0.00 -0.09 0.00 -1.03 0.00 0.00 39.34 38.65 3ir6 n TYR 333 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 3ir6 s THR 334 N -0.14 1.37 -1.42 -0.72 -4.23 -1.06 -0.98 115.64 108.45 3ir6 s THR 334 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 3ir6 s THR 334 Cb 0.00 -2.38 0.58 0.00 1.34 0.00 0.00 72.50 72.04 3ir6 s THR 334 CO 0.00 0.00 1.47 -0.90 -0.54 0.00 0.00 174.62 174.65 3ir6 n ASP 335 N -1.19 3.80 -0.32 3.99 5.75 -0.94 -4.50 116.55 123.15 3ir6 n ASP 335 Ca -0.15 -2.27 0.05 0.00 -0.01 0.00 0.00 54.79 52.40 3ir6 n ASP 335 Cb 0.67 -0.49 0.19 0.00 -1.03 0.00 0.00 41.12 40.46 3ir6 n ASP 335 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 3ir6 h MET 336 N 3.41 0.85 0.00 0.11 2.86 -1.85 -1.44 114.93 118.87 3ir6 h MET 336 Ca 0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3ir6 h MET 336 Cb 1.13 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 3ir6 h MET 336 CO 0.14 0.56 -0.04 -1.00 1.06 0.00 0.00 176.91 177.64 3ir6 h PRO 337 N 0.88 0.00 -6.74 -0.22 0.13 -1.82 0.18 132.00 124.41 3ir6 h PRO 337 Ca 0.44 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 65.00 3ir6 h PRO 337 Cb 0.41 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.66 3ir6 h PRO 337 CO -0.25 0.04 0.37 -1.33 -0.23 0.00 0.00 178.00 176.59 3ir6 n MET 338 N -3.13 1.74 -3.06 0.86 2.81 -0.54 -4.43 117.12 111.37 3ir6 n MET 338 Ca 0.02 0.62 -0.41 0.00 -1.81 0.00 0.00 57.70 56.12 3ir6 n MET 338 Cb 0.39 -2.24 -0.06 0.00 -0.71 0.00 0.00 33.22 30.61 3ir6 n MET 338 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ir6 s LEU 339 N -1.13 4.10 -0.16 4.03 1.43 0.65 -2.06 118.68 125.53 3ir6 s LEU 339 Ca 0.61 0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 54.47 3ir6 s LEU 339 Cb -0.54 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 3ir6 s LEU 339 CO 0.58 -0.36 0.14 -0.69 0.23 0.00 0.00 176.35 176.25 3ir6 s VAL 340 N 2.31 5.46 0.32 -1.59 1.01 0.15 -0.12 120.40 127.93 3ir6 s VAL 340 Ca 0.30 0.20 -0.24 0.00 0.00 0.00 0.00 61.98 62.24 3ir6 s VAL 340 Cb -0.16 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 3ir6 s VAL 340 CO 0.09 0.53 0.90 -0.04 0.00 0.00 0.00 175.10 176.58 3ir6 s MET 341 N -0.30 4.45 -0.17 2.72 -1.94 -0.77 -1.95 119.30 121.34 3ir6 s MET 341 Ca 0.11 1.19 -0.06 0.00 -1.71 0.00 0.00 55.69 55.22 3ir6 s MET 341 Cb -0.11 -2.71 -0.04 0.00 2.01 0.00 0.00 34.83 33.98 3ir6 s MET 341 CO 0.01 0.25 0.03 -0.51 -0.01 0.00 0.00 175.02 174.79 3ir6 s LEU 342 N -2.23 3.66 0.48 -0.03 1.43 0.28 0.68 118.68 122.94 3ir6 s LEU 342 Ca 0.51 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.61 3ir6 s LEU 342 Cb -0.17 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3ir6 s LEU 342 CO 0.21 0.18 0.73 -1.61 0.23 0.00 0.00 176.35 176.09 3ir6 s GLU 343 N 0.35 3.13 -0.02 1.70 2.02 0.46 -4.50 118.70 121.83 3ir6 s GLU 343 Ca 0.01 -0.27 -0.03 0.00 0.02 0.00 0.00 54.97 54.70 3ir6 s GLU 343 Cb -0.13 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 3ir6 s GLU 343 CO 0.01 -0.33 0.18 -1.21 0.02 0.00 0.00 175.26 173.93 3ir6 s GLU 344 N -4.66 3.44 0.00 1.61 2.02 -1.26 -2.56 118.70 117.29 3ir6 s GLU 344 Ca 0.49 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.18 3ir6 s GLU 344 Cb -0.10 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.02 3ir6 s GLU 344 CO 0.40 0.69 0.00 0.54 0.02 0.00 0.00 175.26 176.91 3ir6 n ARG 345 N 1.06 0.29 -1.75 1.61 5.12 -0.38 -4.86 116.66 117.74 3ir6 n ARG 345 Ca -0.12 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.39 3ir6 n ARG 345 Cb 0.53 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.82 3ir6 n ARG 345 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3ir6 n ASP 346 N -1.46 5.52 0.00 0.55 4.64 -1.26 -4.12 116.55 120.42 3ir6 n ASP 346 Ca 0.00 -2.84 0.00 0.00 -1.38 0.00 0.00 54.79 50.57 3ir6 n ASP 346 Cb 0.00 -1.58 0.00 0.00 -1.04 0.00 0.00 41.12 38.50 3ir6 n ASP 346 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3ir6 n GLY 347 N 3.59 0.70 3.02 0.27 0.00 -1.26 -5.06 105.19 106.45 3ir6 n GLY 347 Ca 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.48 3ir6 n GLY 347 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3ir6 n TYR 348 N -1.09 -1.64 -4.53 1.61 4.11 -1.26 -4.94 117.16 109.43 3ir6 n TYR 348 Ca 0.00 -1.86 -0.25 0.00 -0.00 0.00 0.00 57.90 55.78 3ir6 n TYR 348 Cb 0.00 0.59 -0.10 0.00 -0.00 0.00 0.00 39.34 39.83 3ir6 n TYR 348 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 3ir6 s TYR 349 N -3.21 2.36 0.04 -3.48 2.02 -0.11 -1.25 117.35 113.72 3ir6 s TYR 349 Ca 0.21 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.44 3ir6 s TYR 349 Cb -0.02 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 3ir6 s TYR 349 CO 0.15 0.55 -0.15 0.00 -1.57 0.00 0.00 175.55 174.53 3ir6 s ALA 350 N -2.65 1.28 0.18 3.71 0.00 -1.06 0.38 121.76 123.59 3ir6 s ALA 350 Ca 0.32 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 3ir6 s ALA 350 Cb 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 23.12 22.84 3ir6 s ALA 350 CO 0.16 0.26 1.22 0.00 0.00 0.00 0.00 175.76 177.40 3ir6 s ALA 351 N -0.79 3.45 0.00 0.00 0.00 -1.26 -0.41 121.76 122.75 3ir6 s ALA 351 Ca 0.03 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3ir6 s ALA 351 Cb -0.08 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3ir6 s ALA 351 CO 0.01 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3ir6 n GLY 352 N 2.32 5.42 3.68 0.00 0.00 0.21 -4.79 105.19 112.04 3ir6 n GLY 352 Ca 0.05 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 3ir6 n GLY 352 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ir6 s ARG 353 N 1.32 1.05 0.66 1.61 1.70 -1.26 -4.34 118.95 119.70 3ir6 s ARG 353 Ca 0.00 1.50 -0.14 0.00 -0.47 0.00 0.00 55.73 56.62 3ir6 s ARG 353 Cb 0.00 -1.74 -0.00 0.00 -0.57 0.00 0.00 34.95 32.64 3ir6 s ARG 353 CO 0.00 -2.59 1.08 -1.64 -1.08 0.00 0.00 175.30 171.07 3ir6 s MET 354 N -4.67 2.88 -0.08 3.89 -1.94 -1.26 -1.85 119.30 116.28 3ir6 s MET 354 Ca 0.66 1.23 -0.30 0.00 -1.71 0.00 0.00 55.69 55.58 3ir6 s MET 354 Cb -0.22 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.62 3ir6 s MET 354 CO 0.58 -1.16 1.22 -1.17 -0.01 0.00 0.00 175.02 174.48 3ir6 s LEU 355 N -5.04 4.26 -0.11 -0.03 2.96 0.83 -4.74 118.68 116.80 3ir6 s LEU 355 Ca 0.64 1.80 -0.06 0.00 -0.22 0.00 0.00 54.13 56.28 3ir6 s LEU 355 Cb -0.18 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3ir6 s LEU 355 CO 0.45 -0.63 0.12 -0.13 -1.32 0.00 0.00 176.35 174.84 3ir6 s ARG 356 N 2.53 3.37 0.44 1.98 1.81 -1.26 -2.87 118.95 124.94 3ir6 s ARG 356 Ca 0.56 -0.19 0.33 0.00 -1.72 0.00 0.00 55.73 54.71 3ir6 s ARG 356 Cb -0.24 -3.12 1.50 0.00 -0.45 0.00 0.00 34.95 32.64 3ir6 s ARG 356 CO 0.20 0.76 1.57 0.00 -0.68 0.00 0.00 175.30 177.16 3ir6 n ALA 357 N 1.94 1.37 -0.09 2.13 0.00 0.01 -0.15 120.51 125.72 3ir6 n ALA 357 Ca -0.19 0.88 -0.07 0.00 0.00 0.00 0.00 53.44 54.05 3ir6 n ALA 357 Cb 0.55 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 3ir6 n ALA 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ir6 h ALA 358 N 1.61 -0.11 -0.50 0.00 0.00 -1.67 -1.22 119.26 117.37 3ir6 h ALA 358 Ca 0.89 0.10 0.15 0.00 0.00 0.00 0.00 54.91 56.04 3ir6 h ALA 358 Cb 2.86 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 21.21 3ir6 h ALA 358 CO -0.47 -0.67 0.73 -0.44 0.00 0.00 0.00 179.25 178.39 3ir6 h ASP 359 N -0.23 0.00 -3.87 0.00 3.32 -0.87 -3.42 116.42 111.35 3ir6 h ASP 359 Ca 0.16 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.74 3ir6 h ASP 359 Cb 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3ir6 h ASP 359 CO -0.47 0.00 0.23 -0.76 -1.72 0.00 0.00 179.24 176.52 3ir6 s LEU 360 N -6.60 4.07 0.04 1.55 2.01 -0.46 0.13 118.68 119.42 3ir6 s LEU 360 Ca -0.03 1.53 -0.12 0.00 0.01 0.00 0.00 54.13 55.52 3ir6 s LEU 360 Cb 0.12 -4.21 -0.05 0.00 0.01 0.00 0.00 46.19 42.06 3ir6 s LEU 360 CO 0.42 -0.23 1.19 1.62 1.01 0.00 0.00 176.35 180.37 3ir6 h VAL 361 N 2.09 0.00 0.00 -1.59 3.04 -1.80 -0.88 116.25 117.11 3ir6 h VAL 361 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3ir6 h VAL 361 Cb 1.18 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 3ir6 h VAL 361 CO 0.63 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.66 3ir6 n ASP 362 N -3.52 0.00 -2.14 3.17 9.92 -1.26 -4.78 116.55 117.93 3ir6 n ASP 362 Ca -0.03 0.16 -0.20 0.00 -0.53 0.00 0.00 54.79 54.20 3ir6 n ASP 362 Cb 0.14 -0.33 -0.02 0.00 -0.64 0.00 0.00 41.12 40.27 3ir6 n ASP 362 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ir6 n ALA 363 N -1.33 -0.54 -1.67 2.24 0.00 -0.34 -1.69 120.51 117.19 3ir6 n ALA 363 Ca 0.06 0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 3ir6 n ALA 363 Cb 0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 3ir6 n ALA 363 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ir6 n LEU 364 N -2.75 -0.77 0.00 0.00 4.77 -1.26 -0.58 117.00 116.40 3ir6 n LEU 364 Ca -0.23 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3ir6 n LEU 364 Cb 0.67 -1.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 3ir6 n LEU 364 CO 0.28 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 3ir6 n GLY 365 N -0.37 2.96 3.60 -0.72 0.00 -0.68 -4.65 105.19 105.33 3ir6 n GLY 365 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3ir6 n GLY 365 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ir6 s GLN 366 N -0.12 3.60 0.00 1.61 1.11 0.25 -4.83 119.66 121.27 3ir6 s GLN 366 Ca 0.00 0.85 0.20 0.00 0.01 0.00 0.00 55.36 56.42 3ir6 s GLN 366 Cb 0.00 -4.00 -0.21 0.00 -1.01 0.00 0.00 33.01 27.78 3ir6 s GLN 366 CO 0.00 -1.54 0.58 -0.85 0.01 0.00 0.00 175.29 173.50 3ir6 n GLU 367 N 8.05 0.65 -3.14 2.91 -0.00 -1.26 -4.33 120.64 123.51 3ir6 n GLU 367 Ca 0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 57.16 56.89 3ir6 n GLU 367 Cb 0.48 -1.65 -0.07 0.00 -0.00 0.00 0.00 31.44 30.21 3ir6 n GLU 367 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3ir6 s ASN 368 N -5.17 6.32 -1.27 -1.84 2.47 -1.26 -4.37 114.94 109.82 3ir6 s ASN 368 Ca -0.06 -0.30 -0.02 0.00 0.42 0.00 0.00 52.86 52.90 3ir6 s ASN 368 Cb 0.10 -2.31 -0.01 0.00 -1.45 0.00 0.00 41.25 37.59 3ir6 s ASN 368 CO 0.85 -0.72 0.74 0.59 -3.72 0.00 0.00 177.10 174.84 3ir6 n ASN 369 N 6.14 -1.97 -0.03 -4.21 3.02 -1.26 -4.80 115.26 112.14 3ir6 n ASN 369 Ca -0.02 -0.82 -0.02 0.00 -0.03 0.00 0.00 54.58 53.69 3ir6 n ASN 369 Cb 0.48 -4.15 0.24 0.00 -0.61 0.00 0.00 39.78 35.74 3ir6 n ASN 369 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3ir6 h PRO 370 N -1.81 0.60 0.00 3.52 0.13 -1.76 -2.19 132.00 130.49 3ir6 h PRO 370 Ca -0.61 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 3ir6 h PRO 370 Cb 1.35 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3ir6 h PRO 370 CO 0.54 0.65 0.00 -0.85 -0.23 0.00 0.00 178.00 178.11 3ir6 n GLU 371 N -4.23 0.33 -0.24 0.86 0.00 -1.26 -1.96 120.64 114.14 3ir6 n GLU 371 Ca 0.02 0.09 0.07 0.00 0.00 0.00 0.00 57.16 57.34 3ir6 n GLU 371 Cb 0.29 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.40 3ir6 n GLU 371 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3ir6 n TRP 372 N -1.24 0.49 -5.10 -1.84 7.02 -0.83 -4.84 117.44 111.09 3ir6 n TRP 372 Ca 0.10 -0.77 -0.32 0.00 -1.02 0.00 0.00 57.50 55.48 3ir6 n TRP 372 Cb 0.14 -0.18 -0.16 0.00 -2.42 0.00 0.00 31.31 28.69 3ir6 n TRP 372 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3ir6 s LYS 373 N -2.20 3.03 0.45 -0.99 1.02 -1.02 -1.93 119.74 118.10 3ir6 s LYS 373 Ca 0.30 -0.83 -0.11 0.00 0.02 0.00 0.00 55.97 55.35 3ir6 s LYS 373 Cb 0.23 -2.36 -0.06 0.00 -0.52 0.00 0.00 37.83 35.12 3ir6 s LYS 373 CO 0.08 0.24 0.84 0.95 -0.92 0.00 0.00 175.35 176.54 3ir6 s THR 374 N 0.21 4.74 -0.02 2.17 -4.23 -1.26 -0.81 115.64 116.44 3ir6 s THR 374 Ca -0.13 0.73 0.05 0.00 -1.18 0.00 0.00 61.69 61.16 3ir6 s THR 374 Cb -0.16 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 69.91 3ir6 s THR 374 CO 0.07 -0.64 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.65 3ir6 s VAL 375 N -2.53 1.35 0.20 2.29 1.01 -1.14 -4.04 120.40 117.55 3ir6 s VAL 375 Ca 0.53 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3ir6 s VAL 375 Cb -0.10 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3ir6 s VAL 375 CO 0.34 0.38 0.12 0.00 0.00 0.00 0.00 175.10 175.95 3ir6 n ALA 376 N 2.71 0.36 -3.18 5.51 0.00 0.15 -0.26 120.51 125.80 3ir6 n ALA 376 Ca -0.15 -1.11 -0.33 0.00 0.00 0.00 0.00 53.44 51.86 3ir6 n ALA 376 Cb 0.54 0.83 -0.15 0.00 0.00 0.00 0.00 19.45 20.66 3ir6 n ALA 376 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ir6 s PHE 377 N -2.59 2.73 0.96 0.00 2.99 -1.26 -0.42 117.98 120.39 3ir6 s PHE 377 Ca 0.17 -0.83 -0.15 0.00 0.00 0.00 0.00 56.93 56.13 3ir6 s PHE 377 Cb 0.01 -1.81 0.17 0.00 0.00 0.00 0.00 43.02 41.39 3ir6 s PHE 377 CO 0.12 -0.31 1.20 0.54 -0.00 0.00 0.00 175.22 176.77 3ir6 s ASN 378 N 0.42 3.12 0.00 1.36 2.20 0.39 0.56 114.94 123.00 3ir6 s ASN 378 Ca -0.12 0.66 0.11 0.00 -0.94 0.00 0.00 52.86 52.56 3ir6 s ASN 378 Cb -0.16 -0.99 0.63 0.00 -2.00 0.00 0.00 41.25 38.72 3ir6 s ASN 378 CO 0.06 -2.76 1.06 0.35 -2.94 0.00 0.00 177.10 172.87 3ir6 n THR 379 N -3.86 0.00 -0.83 0.54 -2.24 0.27 -1.47 114.28 106.70 3ir6 n THR 379 Ca 0.11 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 3ir6 n THR 379 Cb 0.60 -0.77 0.27 0.00 -2.10 0.00 0.00 70.33 68.33 3ir6 n THR 379 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ir6 n ASN 380 N -0.95 4.05 0.00 3.42 3.02 -1.26 -4.94 115.26 118.60 3ir6 n ASN 380 Ca 0.08 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.83 3ir6 n ASN 380 Cb 0.04 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 3ir6 n ASN 380 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ir6 n GLY 381 N -0.07 0.99 3.79 7.41 0.00 -0.54 -4.98 105.19 111.79 3ir6 n GLY 381 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3ir6 n GLY 381 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ir6 s GLU 382 N -0.27 4.28 -0.07 1.61 2.02 -1.26 -4.79 118.70 120.23 3ir6 s GLU 382 Ca 0.00 1.33 -0.21 0.00 0.02 0.00 0.00 54.97 56.11 3ir6 s GLU 382 Cb 0.00 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 3ir6 s GLU 382 CO 0.00 -0.00 0.61 1.41 0.02 0.00 0.00 175.26 177.29 3ir6 s MET 383 N -2.62 4.38 0.02 1.61 1.75 -1.26 -0.46 119.30 122.71 3ir6 s MET 383 Ca 0.57 0.71 -0.05 0.00 -1.25 0.00 0.00 55.69 55.68 3ir6 s MET 383 Cb -0.17 -3.42 -0.01 0.00 2.84 0.00 0.00 34.83 34.08 3ir6 s MET 383 CO 0.21 0.17 0.08 0.54 -0.65 0.00 0.00 175.02 175.37 3ir6 s VAL 384 N 0.50 0.11 -0.58 10.11 0.11 0.44 -4.94 120.40 126.14 3ir6 s VAL 384 Ca 0.32 -0.87 -0.11 0.00 -2.93 0.00 0.00 61.98 58.39 3ir6 s VAL 384 Cb -0.17 -0.52 0.15 0.00 -1.53 0.00 0.00 36.38 34.31 3ir6 s VAL 384 CO 0.15 -0.48 0.48 0.00 -3.33 0.00 0.00 175.10 171.92 3ir6 s ALA 385 N -1.76 3.62 0.84 1.54 0.00 -1.26 -0.68 121.76 124.06 3ir6 s ALA 385 Ca -0.12 -2.79 -0.11 0.00 0.00 0.00 0.00 51.96 48.93 3ir6 s ALA 385 Cb -0.06 -3.05 0.09 0.00 0.00 0.00 0.00 23.12 20.10 3ir6 s ALA 385 CO -0.01 -2.03 1.09 -1.25 0.00 0.00 0.00 175.76 173.56 3ir6 s PRO 386 N 0.98 1.76 1.36 0.00 0.04 -1.26 -0.24 135.00 137.64 3ir6 s PRO 386 Ca 0.09 0.76 -0.20 0.00 0.04 0.00 0.00 61.00 61.70 3ir6 s PRO 386 Cb -0.23 -1.87 0.35 0.00 0.04 0.00 0.00 34.50 32.79 3ir6 s PRO 386 CO -0.02 -1.88 0.95 -0.80 0.04 0.00 0.00 177.00 175.30 3ir6 s ASN 387 N -3.66 -0.55 0.00 6.66 -0.87 -1.12 -4.09 114.94 111.31 3ir6 s ASN 387 Ca 0.62 1.05 0.00 0.00 -1.57 0.00 0.00 52.86 52.96 3ir6 s ASN 387 Cb -0.16 -1.55 0.00 0.00 -0.02 0.00 0.00 41.25 39.52 3ir6 s ASN 387 CO 0.56 -5.08 0.00 0.61 -2.57 0.00 0.00 177.10 170.62 3ir6 n GLY 388 N 1.26 1.92 3.59 0.66 0.00 -0.26 -4.86 105.19 107.49 3ir6 n GLY 388 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3ir6 n GLY 388 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ir6 n SER 389 N 0.06 0.28 -0.10 1.61 3.41 -1.21 -3.79 113.62 113.89 3ir6 n SER 389 Ca 0.00 0.71 0.22 0.00 -0.26 0.00 0.00 58.87 59.54 3ir6 n SER 389 Cb 0.00 -1.36 0.66 0.00 -0.26 0.00 0.00 64.21 63.25 3ir6 n SER 389 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3ir6 h ILE 390 N 0.01 0.68 -0.97 -1.33 6.09 -0.73 -2.37 117.51 118.89 3ir6 h ILE 390 Ca -0.47 -0.03 0.17 0.00 -1.37 0.00 0.00 64.86 63.15 3ir6 h ILE 390 Cb 1.35 0.59 -0.10 0.00 0.47 0.00 0.00 36.82 39.13 3ir6 h ILE 390 CO 0.48 0.02 0.58 1.23 -3.07 0.00 0.00 178.15 177.38 3ir6 h GLY 391 N 0.09 1.68 1.70 8.18 0.00 -1.62 0.04 103.07 113.13 3ir6 h GLY 391 Ca 0.34 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3ir6 h GLY 391 CO -0.03 -0.01 0.00 0.69 0.00 0.00 0.00 176.54 177.18 3ir6 n PHE 392 N -4.76 0.00 0.03 5.60 3.01 -0.89 -3.93 117.46 116.52 3ir6 n PHE 392 Ca 0.21 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.54 3ir6 n PHE 392 Cb 0.50 -0.35 -0.09 0.00 -0.01 0.00 0.00 39.48 39.53 3ir6 n PHE 392 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3ir6 h ARG 393 N 0.00 -0.06 -6.19 -1.08 2.43 -1.11 -3.39 114.38 104.97 3ir6 h ARG 393 Ca 0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 3ir6 h ARG 393 Cb 0.28 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 3ir6 h ARG 393 CO 0.00 0.25 -0.60 -1.58 -1.51 0.00 0.00 179.97 176.53 3ir6 s TRP 394 N -4.90 2.80 0.00 2.20 0.52 -1.25 -4.66 118.94 113.65 3ir6 s TRP 394 Ca -0.15 -0.21 0.00 0.00 0.02 0.00 0.00 56.10 55.77 3ir6 s TRP 394 Cb 0.03 -1.28 0.00 0.00 -1.15 0.00 0.00 33.47 31.07 3ir6 s TRP 394 CO 0.65 0.57 0.00 0.41 0.02 0.00 0.00 176.95 178.60 3ir6 n GLY 395 N -0.99 2.08 3.82 0.98 0.00 -1.26 -4.93 105.19 104.88 3ir6 n GLY 395 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 3ir6 n GLY 395 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ir6 s GLU 396 N -0.04 2.15 0.36 1.61 -1.05 -1.26 -5.04 118.70 115.43 3ir6 s GLU 396 Ca 0.00 -1.36 0.05 0.00 -0.15 0.00 0.00 54.97 53.50 3ir6 s GLU 396 Cb 0.00 0.61 -0.03 0.00 -0.44 0.00 0.00 34.13 34.28 3ir6 s GLU 396 CO 0.00 -1.00 0.18 0.15 0.95 0.00 0.00 175.26 175.54 3ir6 s LYS 397 N -2.47 1.81 -0.40 -4.83 -0.14 -1.26 -4.81 119.74 107.64 3ir6 s LYS 397 Ca 0.15 -2.08 0.00 0.00 -1.36 0.00 0.00 55.97 52.68 3ir6 s LYS 397 Cb -0.05 -0.21 0.00 0.00 -1.68 0.00 0.00 37.83 35.89 3ir6 s LYS 397 CO 0.11 -0.53 0.00 0.41 -0.76 0.00 0.00 175.35 174.58 3ir6 n GLY 398 N -0.76 0.36 0.00 -3.33 0.00 -0.86 -4.68 105.19 95.93 3ir6 n GLY 398 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ir6 n GLY 398 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ir6 n LYS 399 N -0.71 -0.61 -2.43 1.61 5.02 -1.22 -4.44 118.16 115.39 3ir6 n LYS 399 Ca -0.04 -0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 55.30 3ir6 n LYS 399 Cb 0.19 -0.95 0.01 0.00 -0.02 0.00 0.00 35.03 34.25 3ir6 n LYS 399 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 3ir6 n TRP 400 N -0.04 2.66 -4.34 2.13 -0.00 -0.98 -2.38 117.44 114.49 3ir6 n TRP 400 Ca 0.00 -2.72 -0.20 0.00 -0.00 0.00 0.00 57.50 54.58 3ir6 n TRP 400 Cb 0.04 -1.68 -0.09 0.00 -0.00 0.00 0.00 31.31 29.59 3ir6 n TRP 400 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3ir6 s ASN 401 N -0.11 1.73 -0.40 5.87 2.20 -1.26 -4.24 114.94 118.73 3ir6 s ASN 401 Ca 0.41 -1.65 0.05 0.00 -0.94 0.00 0.00 52.86 50.74 3ir6 s ASN 401 Cb 0.12 0.48 0.50 0.00 -2.00 0.00 0.00 41.25 40.34 3ir6 s ASN 401 CO -0.01 -0.96 1.57 0.18 -2.94 0.00 0.00 177.10 174.94 3ir6 n LEU 402 N -0.64 5.42 -4.72 3.54 4.32 0.16 -1.10 117.00 123.98 3ir6 n LEU 402 Ca 0.02 -4.14 -0.41 0.00 -0.02 0.00 0.00 56.01 51.47 3ir6 n LEU 402 Cb 0.64 -0.66 -0.04 0.00 -1.62 0.00 0.00 43.42 41.74 3ir6 n LEU 402 CO 0.34 1.51 0.54 -1.61 -1.22 0.00 0.00 177.39 176.96 3ir6 s GLU 403 N -3.48 4.53 -1.10 3.23 2.02 -1.26 -4.93 118.70 117.71 3ir6 s GLU 403 Ca 0.52 1.18 -0.23 0.00 0.02 0.00 0.00 54.97 56.46 3ir6 s GLU 403 Cb 0.44 -3.42 -0.07 0.00 0.10 0.00 0.00 34.13 31.17 3ir6 s GLU 403 CO 0.02 0.09 1.94 -0.65 0.02 0.00 0.00 175.26 176.68 3ir6 s GLN 404 N 0.58 2.52 0.13 1.61 -1.52 -1.26 -4.59 119.66 117.13 3ir6 s GLN 404 Ca 0.44 -0.90 0.06 0.00 -1.95 0.00 0.00 55.36 53.01 3ir6 s GLN 404 Cb -0.20 -5.19 -0.04 0.00 -0.22 0.00 0.00 33.01 27.36 3ir6 s GLN 404 CO 0.24 -3.79 -0.14 1.03 -0.25 0.00 0.00 175.29 172.38 3ir6 s ARG 405 N 6.63 1.06 -0.15 2.91 0.52 -1.26 -1.58 118.95 127.08 3ir6 s ARG 405 Ca 0.69 -1.29 -0.29 0.00 -0.52 0.00 0.00 55.73 54.31 3ir6 s ARG 405 Cb -0.03 -0.92 -0.02 0.00 0.52 0.00 0.00 34.95 34.50 3ir6 s ARG 405 CO 0.09 0.17 1.32 0.34 0.02 0.00 0.00 175.30 177.24 3ir6 s ASP 406 N -2.59 6.90 0.22 0.23 3.68 0.18 -2.79 116.67 122.50 3ir6 s ASP 406 Ca 0.11 1.78 0.18 0.00 2.13 0.00 0.00 52.55 56.75 3ir6 s ASP 406 Cb -0.04 -2.54 0.88 0.00 -1.45 0.00 0.00 42.92 39.77 3ir6 s ASP 406 CO 0.03 -0.79 1.55 0.61 0.13 0.00 0.00 175.17 176.71 3ir6 n GLY 407 N 3.69 -0.94 0.12 2.66 0.00 0.66 -0.94 105.19 110.46 3ir6 n GLY 407 Ca 0.14 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 3ir6 n GLY 407 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ir6 n LYS 408 N -2.06 0.63 -0.24 1.61 0.00 -1.26 -4.52 118.16 112.32 3ir6 n LYS 408 Ca 0.00 0.40 0.10 0.00 0.00 0.00 0.00 58.31 58.81 3ir6 n LYS 408 Cb 0.10 -1.67 0.23 0.00 0.00 0.00 0.00 35.03 33.69 3ir6 n LYS 408 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3ir6 n THR 409 N -4.06 0.72 -4.06 3.15 -2.24 -1.19 -4.97 114.28 101.65 3ir6 n THR 409 Ca -0.38 -0.86 -0.32 0.00 -2.27 0.00 0.00 64.05 60.22 3ir6 n THR 409 Cb 0.84 0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 69.83 3ir6 n THR 409 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ir6 n GLY 410 N 1.34 -0.42 3.08 3.38 0.00 -0.11 -4.95 105.19 107.51 3ir6 n GLY 410 Ca 0.19 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 3ir6 n GLY 410 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ir6 s GLU 411 N -6.73 1.16 -0.01 1.61 2.12 -1.23 -4.88 118.70 110.73 3ir6 s GLU 411 Ca 0.56 -0.45 -0.36 0.00 0.36 0.00 0.00 54.97 55.08 3ir6 s GLU 411 Cb -0.30 -1.09 -0.15 0.00 0.26 0.00 0.00 34.13 32.86 3ir6 s GLU 411 CO 0.89 0.23 1.60 -1.91 -0.54 0.00 0.00 175.26 175.53 3ir6 n GLU 412 N 2.95 1.61 -0.73 4.30 0.00 -1.26 -0.65 120.64 126.86 3ir6 n GLU 412 Ca -0.16 0.58 0.00 0.00 0.00 0.00 0.00 57.16 57.59 3ir6 n GLU 412 Cb 0.55 -2.31 0.00 0.00 0.00 0.00 0.00 31.44 29.68 3ir6 n GLU 412 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3ir6 n THR 413 N 3.75 0.00 -3.22 6.31 -2.24 -0.62 -4.84 114.28 113.42 3ir6 n THR 413 Ca 0.21 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.97 3ir6 n THR 413 Cb 0.22 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 3ir6 n THR 413 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ir6 s GLU 414 N -0.10 0.49 0.42 -0.78 2.12 -1.26 -4.75 118.70 114.84 3ir6 s GLU 414 Ca 0.00 0.66 -0.25 0.00 0.36 0.00 0.00 54.97 55.74 3ir6 s GLU 414 Cb 0.00 0.11 -0.08 0.00 0.26 0.00 0.00 34.13 34.41 3ir6 s GLU 414 CO 0.00 -0.78 1.23 -0.51 -0.54 0.00 0.00 175.26 174.66 3ir6 s LEU 415 N 2.73 4.15 0.02 2.70 1.43 -1.26 0.96 118.68 129.40 3ir6 s LEU 415 Ca 0.15 2.47 0.01 0.00 -1.03 0.00 0.00 54.13 55.73 3ir6 s LEU 415 Cb -0.14 -4.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 3ir6 s LEU 415 CO -0.22 -0.84 0.07 -1.58 0.23 0.00 0.00 176.35 174.01 3ir6 s GLN 416 N -2.38 2.99 -0.15 1.70 0.74 0.19 -4.68 119.66 118.07 3ir6 s GLN 416 Ca 0.59 -0.55 -0.12 0.00 0.05 0.00 0.00 55.36 55.33 3ir6 s GLN 416 Cb -0.33 -2.80 -0.09 0.00 1.10 0.00 0.00 33.01 30.88 3ir6 s GLN 416 CO 0.42 0.62 0.05 -0.07 -0.55 0.00 0.00 175.29 175.77 3ir6 h LEU 417 N 3.93 0.00 -9.29 3.68 3.38 -1.91 -3.42 115.31 111.68 3ir6 h LEU 417 Ca -0.48 -0.23 -0.66 0.00 0.09 0.00 0.00 57.88 56.60 3ir6 h LEU 417 Cb 1.18 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 3ir6 h LEU 417 CO 0.63 0.91 -0.58 -0.55 0.09 0.00 0.00 178.44 178.94 3ir6 s SER 418 N -6.02 5.56 0.14 -0.43 0.15 -1.26 -4.49 113.70 107.36 3ir6 s SER 418 Ca -0.16 0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.68 3ir6 s SER 418 Cb 0.02 -1.75 -0.07 0.00 -1.71 0.00 0.00 66.02 62.51 3ir6 s SER 418 CO 0.31 0.32 1.33 -0.07 1.20 0.00 0.00 173.24 176.33 3ir6 h LEU 419 N 5.59 0.31 -8.05 3.45 3.38 -1.92 -3.46 115.31 114.61 3ir6 h LEU 419 Ca -0.47 -0.27 -0.71 0.00 0.09 0.00 0.00 57.88 56.52 3ir6 h LEU 419 Cb 1.19 -0.10 0.04 0.00 0.09 0.00 0.00 40.66 41.89 3ir6 h LEU 419 CO 0.60 1.09 0.10 -0.11 0.09 0.00 0.00 178.44 180.21 3ir6 n LEU 420 N -3.64 0.09 0.00 1.67 7.94 -1.26 -0.82 117.00 120.97 3ir6 n LEU 420 Ca -0.05 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 3ir6 n LEU 420 Cb 0.85 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.98 3ir6 n LEU 420 CO 0.49 -1.63 0.00 0.61 -1.11 0.00 0.00 177.39 175.75 3ir6 n GLY 421 N 1.54 0.93 0.14 -3.96 0.00 -1.26 -4.81 105.19 97.76 3ir6 n GLY 421 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ir6 n GLY 421 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ir6 n SER 422 N 0.02 -0.02 -4.88 1.61 3.41 -0.00 -5.15 113.62 108.61 3ir6 n SER 422 Ca 0.00 -0.22 -0.30 0.00 -0.26 0.00 0.00 58.87 58.09 3ir6 n SER 422 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.97 3ir6 n SER 422 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ir6 s GLN 423 N 0.00 3.50 0.09 4.33 0.00 -1.15 -4.98 119.66 121.46 3ir6 s GLN 423 Ca 0.00 0.56 0.09 0.00 -0.00 0.00 0.00 55.36 56.02 3ir6 s GLN 423 Cb 0.00 -2.16 -0.19 0.00 0.00 0.00 0.00 33.01 30.67 3ir6 s GLN 423 CO 0.00 -0.52 1.13 -0.44 0.00 0.00 0.00 175.29 175.46 3ir6 h ASP 424 N -0.20 0.00 -5.33 12.60 3.45 -1.47 -3.48 116.42 121.98 3ir6 h ASP 424 Ca -0.45 0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.13 3ir6 h ASP 424 Cb 1.20 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.95 3ir6 h ASP 424 CO 0.62 0.94 0.52 -1.83 -1.57 0.00 0.00 179.24 177.92 3ir6 s GLU 425 N -2.71 1.52 -0.55 3.56 -1.05 -1.25 -5.02 118.70 113.19 3ir6 s GLU 425 Ca -0.00 -0.99 -0.01 0.00 -0.15 0.00 0.00 54.97 53.82 3ir6 s GLU 425 Cb 0.09 0.42 0.14 0.00 -0.44 0.00 0.00 34.13 34.35 3ir6 s GLU 425 CO 0.81 -0.71 0.35 0.42 0.95 0.00 0.00 175.26 177.08 3ir6 s ILE 426 N -2.14 3.38 0.52 1.83 -1.09 -1.26 -0.83 121.20 121.62 3ir6 s ILE 426 Ca 0.21 -2.82 -0.12 0.00 -2.23 0.00 0.00 60.65 55.69 3ir6 s ILE 426 Cb -0.03 -3.26 -0.06 0.00 -1.58 0.00 0.00 42.46 37.53 3ir6 s ILE 426 CO 0.07 -0.82 0.93 0.00 -1.23 0.00 0.00 174.94 173.89 3ir6 s ALA 427 N 0.17 3.18 -0.21 9.38 0.00 -0.96 -4.83 121.76 128.48 3ir6 s ALA 427 Ca 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 3ir6 s ALA 427 Cb -0.22 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 3ir6 s ALA 427 CO -0.03 -0.36 0.05 -1.21 0.00 0.00 0.00 175.76 174.20 3ir6 s GLU 428 N -4.51 3.74 -0.05 0.00 2.02 -1.26 -1.21 118.70 117.44 3ir6 s GLU 428 Ca 0.54 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 55.10 3ir6 s GLU 428 Cb -0.10 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 3ir6 s GLU 428 CO 0.41 0.02 -0.06 0.08 0.02 0.00 0.00 175.26 175.73 3ir6 s VAL 429 N 1.04 3.77 0.02 2.63 1.01 -0.05 -0.93 120.40 127.89 3ir6 s VAL 429 Ca 0.03 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 3ir6 s VAL 429 Cb -0.14 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 3ir6 s VAL 429 CO 0.03 0.54 0.39 -0.83 0.00 0.00 0.00 175.10 175.22 3ir6 s GLY 430 N -0.99 2.40 -0.02 4.51 0.00 0.16 -1.50 107.32 111.88 3ir6 s GLY 430 Ca 0.14 -0.31 0.04 0.00 0.00 0.00 0.00 44.72 44.59 3ir6 s GLY 430 CO 0.03 -0.02 -0.15 -1.36 0.00 0.00 0.00 173.10 171.61 3ir6 s PHE 431 N -1.21 1.37 0.35 1.90 0.40 -0.39 -4.59 117.98 115.82 3ir6 s PHE 431 Ca 0.27 -0.29 -0.25 0.00 -0.60 0.00 0.00 56.93 56.06 3ir6 s PHE 431 Cb -0.15 -0.90 -0.10 0.00 0.51 0.00 0.00 43.02 42.38 3ir6 s PHE 431 CO 0.15 -0.05 1.00 -1.25 0.70 0.00 0.00 175.22 175.76 3ir6 s PRO 432 N -0.25 4.43 -0.11 0.24 0.04 -1.26 -0.43 135.00 137.66 3ir6 s PRO 432 Ca 0.04 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 3ir6 s PRO 432 Cb -0.07 -2.72 0.04 0.00 0.04 0.00 0.00 34.50 31.78 3ir6 s PRO 432 CO -0.00 0.11 -0.00 -0.47 0.04 0.00 0.00 177.00 176.68 3ir6 s TYR 433 N -1.60 0.88 -1.77 0.56 5.04 -0.13 -4.87 117.35 115.45 3ir6 s TYR 433 Ca 0.53 -0.43 0.15 0.00 -2.44 0.00 0.00 57.07 54.88 3ir6 s TYR 433 Cb -0.21 -0.92 0.14 0.00 0.35 0.00 0.00 41.96 41.32 3ir6 s TYR 433 CO 0.26 -0.43 0.99 1.19 -1.34 0.00 0.00 175.55 176.23 3ir6 n PHE 434 N 5.09 0.05 0.00 4.97 3.01 -1.26 -4.44 117.46 124.89 3ir6 n PHE 434 Ca -0.08 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.34 3ir6 n PHE 434 Cb 0.49 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 3ir6 n PHE 434 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ir6 n GLY 435 N 0.82 -0.01 0.00 1.37 0.00 -1.26 -1.02 105.19 105.09 3ir6 n GLY 435 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 3ir6 n GLY 435 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir6 n GLY 436 N -0.96 -0.60 0.88 -0.02 0.00 -1.21 -1.17 105.19 102.13 3ir6 n GLY 436 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 3ir6 n GLY 436 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ir6 n ASP 437 N -1.71 0.16 0.00 1.61 8.00 -0.19 -4.78 116.55 119.65 3ir6 n ASP 437 Ca 0.00 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.32 3ir6 n ASP 437 Cb 0.33 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3ir6 n ASP 437 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ir6 n GLY 438 N 3.13 1.79 1.02 0.44 0.00 -1.26 -4.83 105.19 105.48 3ir6 n GLY 438 Ca 0.04 -2.23 -0.06 0.00 0.00 0.00 0.00 46.02 43.76 3ir6 n GLY 438 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ir6 n THR 439 N -0.97 0.00 0.18 2.61 -2.24 -1.26 -5.00 114.28 107.61 3ir6 n THR 439 Ca 0.00 -0.38 0.06 0.00 -2.27 0.00 0.00 64.05 61.47 3ir6 n THR 439 Cb 0.00 -1.40 0.24 0.00 -2.10 0.00 0.00 70.33 67.06 3ir6 n THR 439 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3ir6 h GLU 440 N 0.00 0.00 0.00 -0.78 9.09 -2.00 -3.27 114.58 117.63 3ir6 h GLU 440 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 3ir6 h GLU 440 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 3ir6 h GLU 440 CO 0.09 0.34 0.00 0.72 0.05 0.00 0.00 179.01 180.22 3ir6 n HIS 441 N -3.31 0.00 -4.34 2.06 8.25 -1.26 -4.77 115.22 111.84 3ir6 n HIS 441 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 3ir6 n HIS 441 Cb 0.58 -0.04 -0.13 0.00 1.12 0.00 0.00 29.99 31.51 3ir6 n HIS 441 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3ir6 s PHE 442 N -2.09 1.31 0.70 4.41 0.40 -1.23 -5.12 117.98 116.36 3ir6 s PHE 442 Ca 0.40 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 56.23 3ir6 s PHE 442 Cb 0.20 -0.77 0.02 0.00 0.51 0.00 0.00 43.02 42.98 3ir6 s PHE 442 CO 0.35 0.05 1.08 -0.80 0.70 0.00 0.00 175.22 176.60 3ir6 s ASN 443 N -1.29 5.04 -0.01 1.36 0.01 -1.26 -4.78 114.94 114.01 3ir6 s ASN 443 Ca 0.02 1.81 -0.03 0.00 -0.71 0.00 0.00 52.86 53.94 3ir6 s ASN 443 Cb -0.08 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.05 3ir6 s ASN 443 CO 0.02 -1.67 0.07 -0.54 -1.51 0.00 0.00 177.10 173.47 3ir6 s LYS 444 N -4.64 0.23 -0.23 -0.60 1.02 -1.26 -4.83 119.74 109.43 3ir6 s LYS 444 Ca 0.62 -0.16 -0.00 0.00 0.02 0.00 0.00 55.97 56.45 3ir6 s LYS 444 Cb -0.17 0.10 0.03 0.00 -0.52 0.00 0.00 37.83 37.26 3ir6 s LYS 444 CO 0.50 -0.04 -0.10 0.08 -0.92 0.00 0.00 175.35 174.86 3ir6 s VAL 445 N -0.60 2.59 -0.15 3.17 1.01 -0.32 -4.98 120.40 121.13 3ir6 s VAL 445 Ca -0.07 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.62 3ir6 s VAL 445 Cb -0.04 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3ir6 s VAL 445 CO 0.00 0.28 0.77 -0.70 0.00 0.00 0.00 175.10 175.45 3ir6 s GLU 446 N 1.30 4.32 0.00 2.72 2.56 -1.26 -3.28 118.70 125.05 3ir6 s GLU 446 Ca 0.01 0.93 0.00 0.00 0.00 0.00 0.00 54.97 55.91 3ir6 s GLU 446 Cb -0.16 -3.54 0.00 0.00 2.00 0.00 0.00 34.13 32.43 3ir6 s GLU 446 CO -0.07 -0.22 0.00 1.28 -0.56 0.00 0.00 175.26 175.69 3ir6 n LEU 447 N 4.84 0.00 -3.72 2.70 4.77 -1.26 -5.07 117.00 119.25 3ir6 n LEU 447 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 3ir6 n LEU 447 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 3ir6 n LEU 447 CO 0.47 0.00 0.09 -1.61 -1.33 0.00 0.00 177.39 175.01 3ir6 s GLU 448 N 0.79 0.47 0.48 3.23 0.41 -1.26 -5.02 118.70 117.80 3ir6 s GLU 448 Ca 0.00 0.63 0.26 0.00 -0.41 0.00 0.00 54.97 55.44 3ir6 s GLU 448 Cb 0.00 0.19 1.30 0.00 -1.78 0.00 0.00 34.13 33.84 3ir6 s GLU 448 CO 0.00 -0.08 1.84 -0.91 -0.49 0.00 0.00 175.26 175.62 3ir6 h ASN 449 N 5.80 0.21 -3.39 -0.19 2.35 -1.94 -3.37 115.58 115.05 3ir6 h ASN 449 Ca -0.29 0.03 -0.56 0.00 -0.55 0.00 0.00 56.30 54.94 3ir6 h ASN 449 Cb 1.18 -0.01 -0.33 0.00 0.05 0.00 0.00 38.32 39.21 3ir6 h ASN 449 CO 0.25 0.06 -0.83 -0.69 -1.65 0.00 0.00 177.43 174.57 3ir6 s VAL 450 N -5.21 1.37 -0.22 2.81 1.01 -1.26 -0.95 120.40 117.94 3ir6 s VAL 450 Ca -0.07 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 3ir6 s VAL 450 Cb 0.23 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3ir6 s VAL 450 CO 0.79 0.41 -0.00 -0.76 0.00 0.00 0.00 175.10 175.53 3ir6 s LEU 451 N 0.62 3.12 -0.16 3.92 1.43 0.43 -4.88 118.68 123.16 3ir6 s LEU 451 Ca -0.15 -0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 3ir6 s LEU 451 Cb -0.16 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3ir6 s LEU 451 CO 0.05 0.00 0.57 -0.76 0.23 0.00 0.00 176.35 176.44 3ir6 s LEU 452 N 1.37 4.21 0.11 1.79 1.02 -1.26 -1.27 118.68 124.65 3ir6 s LEU 452 Ca 0.04 0.85 0.09 0.00 0.02 0.00 0.00 54.13 55.14 3ir6 s LEU 452 Cb -0.15 -2.83 -0.04 0.00 0.02 0.00 0.00 46.19 43.20 3ir6 s LEU 452 CO 0.00 -0.15 -0.24 -1.00 0.02 0.00 0.00 176.35 174.98 3ir6 s HIS 453 N 1.33 2.02 -0.50 0.29 3.76 -0.56 -4.56 115.29 117.07 3ir6 s HIS 453 Ca 0.28 -0.40 -0.20 0.00 -0.15 0.00 0.00 55.06 54.59 3ir6 s HIS 453 Cb -0.16 -1.11 0.05 0.00 1.11 0.00 0.00 32.58 32.47 3ir6 s HIS 453 CO 0.11 0.26 0.67 0.15 -0.85 0.00 0.00 174.74 175.08 3ir6 s LYS 454 N -1.92 3.17 -0.11 1.40 1.02 -1.26 -0.87 119.74 121.17 3ir6 s LYS 454 Ca 0.10 -0.74 -0.06 0.00 0.02 0.00 0.00 55.97 55.29 3ir6 s LYS 454 Cb -0.10 -4.07 -0.04 0.00 -0.52 0.00 0.00 37.83 33.10 3ir6 s LYS 454 CO 0.05 -1.23 0.11 -0.51 -0.92 0.00 0.00 175.35 172.86 3ir6 s LEU 455 N 2.83 4.23 -0.17 3.17 2.01 -0.35 -4.94 118.68 125.47 3ir6 s LEU 455 Ca 0.18 0.41 -0.29 0.00 0.01 0.00 0.00 54.13 54.43 3ir6 s LEU 455 Cb -0.18 -2.02 -0.01 0.00 0.01 0.00 0.00 46.19 43.99 3ir6 s LEU 455 CO 0.14 0.40 1.16 -2.16 1.01 0.00 0.00 176.35 176.90 3ir6 s PRO 456 N -1.00 4.27 0.00 1.29 0.04 -1.26 -2.27 135.00 136.08 3ir6 s PRO 456 Ca 0.15 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.73 3ir6 s PRO 456 Cb -0.12 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.74 3ir6 s PRO 456 CO 0.04 -0.62 0.00 1.33 0.04 0.00 0.00 177.00 177.79 3ir6 n VAL 457 N 5.19 0.00 -3.60 -0.36 0.24 -0.01 -4.71 118.33 115.07 3ir6 n VAL 457 Ca 0.12 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.31 3ir6 n VAL 457 Cb 0.46 -0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 32.25 3ir6 n VAL 457 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3ir6 s LYS 458 N -1.15 0.66 -0.12 7.34 2.20 -1.05 -1.06 119.74 126.56 3ir6 s LYS 458 Ca 0.00 0.46 -0.05 0.00 -0.36 0.00 0.00 55.97 56.02 3ir6 s LYS 458 Cb 0.00 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 3ir6 s LYS 458 CO 0.00 -0.14 0.06 0.50 -0.36 0.00 0.00 175.35 175.41 3ir6 s ARG 459 N -0.37 3.41 0.14 4.03 3.52 -1.26 -1.09 118.95 127.32 3ir6 s ARG 459 Ca -0.01 -0.30 0.07 0.00 -0.13 0.00 0.00 55.73 55.37 3ir6 s ARG 459 Cb -0.03 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.28 3ir6 s ARG 459 CO -0.00 0.61 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.42 3ir6 s LEU 460 N -0.59 2.41 -0.52 -0.88 1.43 -0.24 -4.98 118.68 115.30 3ir6 s LEU 460 Ca 0.11 -0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 52.23 3ir6 s LEU 460 Cb -0.12 -0.72 0.12 0.00 0.03 0.00 0.00 46.19 45.50 3ir6 s LEU 460 CO 0.02 -0.07 0.47 -1.10 0.23 0.00 0.00 176.35 175.90 3ir6 s GLN 461 N -2.66 2.98 0.64 1.70 -1.52 -1.26 -1.99 119.66 117.55 3ir6 s GLN 461 Ca 0.12 -1.63 -0.18 0.00 -1.95 0.00 0.00 55.36 51.73 3ir6 s GLN 461 Cb -0.06 -4.25 -0.01 0.00 -0.22 0.00 0.00 33.01 28.47 3ir6 s GLN 461 CO 0.05 -1.26 1.22 -0.51 -0.25 0.00 0.00 175.29 174.54 3ir6 s LEU 462 N 1.60 3.55 0.00 2.90 1.43 -0.52 -4.47 118.68 123.17 3ir6 s LEU 462 Ca 0.03 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 3ir6 s LEU 462 Cb -0.29 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.34 3ir6 s LEU 462 CO 0.04 -1.84 0.39 0.00 0.23 0.00 0.00 176.35 175.16 3ir6 n ALA 463 N -1.96 1.47 -1.30 4.21 0.00 0.35 -1.16 120.51 122.12 3ir6 n ALA 463 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.66 3ir6 n ALA 463 Cb 0.49 -0.98 0.14 0.00 0.00 0.00 0.00 19.45 19.10 3ir6 n ALA 463 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ir6 n ASP 464 N -0.89 1.97 0.00 0.00 3.85 -1.26 -4.84 116.55 115.38 3ir6 n ASP 464 Ca 0.00 -3.11 0.00 0.00 -0.71 0.00 0.00 54.79 50.97 3ir6 n ASP 464 Cb 0.00 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.35 3ir6 n ASP 464 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ir6 n GLY 465 N -1.19 1.91 3.68 6.12 0.00 -0.31 -5.01 105.19 110.39 3ir6 n GLY 465 Ca 0.15 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3ir6 n GLY 465 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ir6 n SER 466 N 1.71 1.10 -4.80 1.61 3.41 -1.26 -4.66 113.62 110.73 3ir6 n SER 466 Ca 0.00 0.63 -0.31 0.00 -0.26 0.00 0.00 58.87 58.93 3ir6 n SER 466 Cb 0.00 -1.50 -0.06 0.00 -0.26 0.00 0.00 64.21 62.39 3ir6 n SER 466 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3ir6 s THR 467 N -1.97 4.71 0.00 6.66 -1.32 -1.26 -1.44 115.64 121.02 3ir6 s THR 467 Ca 0.75 -0.58 -0.13 0.00 -1.21 0.00 0.00 61.69 60.51 3ir6 s THR 467 Cb -0.31 -3.23 0.02 0.00 -1.51 0.00 0.00 72.50 67.47 3ir6 s THR 467 CO 0.49 0.21 0.28 0.00 -2.21 0.00 0.00 174.62 173.40 3ir6 s ALA 468 N -1.33 -0.69 -0.09 11.08 0.00 -0.84 -4.95 121.76 124.94 3ir6 s ALA 468 Ca 0.28 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 3ir6 s ALA 468 Cb -0.12 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 3ir6 s ALA 468 CO 0.20 -0.29 0.28 -0.51 0.00 0.00 0.00 175.76 175.43 3ir6 s LEU 469 N -1.53 4.37 0.21 0.00 1.43 -1.26 -1.08 118.68 120.82 3ir6 s LEU 469 Ca -0.12 0.64 0.06 0.00 -1.03 0.00 0.00 54.13 53.68 3ir6 s LEU 469 Cb -0.04 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 3ir6 s LEU 469 CO 0.02 0.28 -0.08 0.68 0.23 0.00 0.00 176.35 177.48 3ir6 s VAL 470 N -0.56 1.39 0.24 -1.59 -7.23 -0.25 -0.55 120.40 111.84 3ir6 s VAL 470 Ca 0.18 -2.11 -0.22 0.00 -1.81 0.00 0.00 61.98 58.02 3ir6 s VAL 470 Cb -0.14 -2.13 0.04 0.00 0.56 0.00 0.00 36.38 34.71 3ir6 s VAL 470 CO 0.07 -0.53 0.69 0.28 -0.31 0.00 0.00 175.10 175.30 3ir6 s THR 471 N -3.19 0.00 0.31 5.32 -1.32 -0.82 -2.53 115.64 113.41 3ir6 s THR 471 Ca 0.23 -0.65 -0.04 0.00 -1.21 0.00 0.00 61.69 60.02 3ir6 s THR 471 Cb 0.03 -1.66 -0.05 0.00 -1.51 0.00 0.00 72.50 69.31 3ir6 s THR 471 CO 0.06 0.00 0.56 0.42 -2.21 0.00 0.00 174.62 173.46 3ir6 s THR 472 N -3.85 5.04 0.25 5.08 -4.23 -1.26 0.30 115.64 116.98 3ir6 s THR 472 Ca 0.08 -0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 3ir6 s THR 472 Cb -0.04 -3.77 0.24 0.00 1.34 0.00 0.00 72.50 70.26 3ir6 s THR 472 CO 0.00 -0.41 1.84 0.58 -0.54 0.00 0.00 174.62 176.08 3ir6 h VAL 473 N 1.13 0.97 0.10 2.29 2.07 -0.81 -0.42 116.25 121.58 3ir6 h VAL 473 Ca -0.48 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3ir6 h VAL 473 Cb 1.20 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 3ir6 h VAL 473 CO 0.65 0.17 -0.46 0.22 0.02 0.00 0.00 177.57 178.17 3ir6 h TYR 474 N 0.93 -1.30 -0.28 1.57 3.20 -0.93 0.17 116.97 120.33 3ir6 h TYR 474 Ca 0.42 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.33 3ir6 h TYR 474 Cb 0.31 0.56 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 3ir6 h TYR 474 CO -0.03 -0.54 0.18 -0.44 -1.64 0.00 0.00 178.16 175.68 3ir6 h ASP 475 N -0.68 0.30 -0.81 -2.11 3.32 -1.66 -1.84 116.42 112.95 3ir6 h ASP 475 Ca 0.02 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.22 3ir6 h ASP 475 Cb 0.71 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.13 3ir6 h ASP 475 CO -0.27 0.22 0.53 -0.07 -1.72 0.00 0.00 179.24 177.93 3ir6 h LEU 476 N 0.37 0.46 0.36 1.55 4.07 -0.73 -1.34 115.31 120.04 3ir6 h LEU 476 Ca 0.11 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 3ir6 h LEU 476 Cb -0.03 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.65 3ir6 h LEU 476 CO -0.03 0.23 -0.17 0.74 -1.08 0.00 0.00 178.44 178.13 3ir6 h THR 477 N 0.49 0.32 -0.90 0.22 2.02 0.12 -1.63 112.91 113.55 3ir6 h THR 477 Ca 0.40 -0.72 0.22 0.00 0.77 0.00 0.00 66.41 67.09 3ir6 h THR 477 Cb 0.86 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 3ir6 h THR 477 CO -0.15 0.07 0.61 -0.07 0.37 0.00 0.00 175.52 176.35 3ir6 h LEU 478 N -1.03 0.29 0.42 2.58 4.07 -1.16 0.29 115.31 120.77 3ir6 h LEU 478 Ca -0.05 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 3ir6 h LEU 478 Cb 0.49 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.21 3ir6 h LEU 478 CO 0.08 0.11 -0.20 0.00 -1.08 0.00 0.00 178.44 177.35 3ir6 h ALA 479 N 1.60 -0.56 -0.01 1.53 0.00 -1.22 -1.01 119.26 119.59 3ir6 h ALA 479 Ca 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ir6 h ALA 479 Cb 1.33 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 3ir6 h ALA 479 CO -0.13 -0.71 0.01 -0.97 0.00 0.00 0.00 179.25 177.45 3ir6 h ASN 480 N -0.77 0.00 1.06 0.00 -1.24 -0.01 -1.35 115.58 113.26 3ir6 h ASN 480 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.95 3ir6 h ASN 480 Cb 0.53 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.58 3ir6 h ASN 480 CO 0.09 0.00 -0.45 1.88 -1.29 0.00 0.00 177.43 177.67 3ir6 h TYR 481 N 0.00 0.00 0.00 0.67 -1.99 -0.89 -3.45 116.97 111.31 3ir6 h TYR 481 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ir6 h TYR 481 Cb 0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.76 3ir6 h TYR 481 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 3ir6 n GLY 482 N 1.32 1.09 3.63 3.88 0.00 -0.51 -4.36 105.19 110.25 3ir6 n GLY 482 Ca 0.04 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3ir6 n GLY 482 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ir6 s LEU 483 N 0.00 4.06 0.02 0.99 2.01 -0.42 -1.20 118.68 124.14 3ir6 s LEU 483 Ca 0.00 0.92 -0.30 0.00 0.01 0.00 0.00 54.13 54.76 3ir6 s LEU 483 Cb 0.00 -3.25 -0.06 0.00 0.01 0.00 0.00 46.19 42.89 3ir6 s LEU 483 CO 0.00 -0.65 1.33 -0.70 1.01 0.00 0.00 176.35 177.34 3ir6 s GLU 484 N 3.09 4.33 -0.04 1.70 2.56 -1.26 -4.72 118.70 124.36 3ir6 s GLU 484 Ca 0.37 1.90 0.06 0.00 0.00 0.00 0.00 54.97 57.30 3ir6 s GLU 484 Cb -0.14 -3.47 0.12 0.00 2.00 0.00 0.00 34.13 32.64 3ir6 s GLU 484 CO 0.11 -0.47 1.08 0.54 -0.56 0.00 0.00 175.26 175.96 3ir6 n ARG 485 N 4.84 2.61 0.00 4.30 1.74 -1.26 -4.99 116.66 123.90 3ir6 n ARG 485 Ca 0.12 -1.86 0.00 0.00 -0.77 0.00 0.00 57.85 55.34 3ir6 n ARG 485 Cb 0.44 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 3ir6 n ARG 485 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ir6 n GLY 486 N -0.58 2.16 0.34 -0.13 0.00 -1.26 -4.94 105.19 100.77 3ir6 n GLY 486 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3ir6 n GLY 486 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ir6 n LEU 487 N 0.00 0.59 -3.57 0.99 4.32 -1.26 -4.90 117.00 113.16 3ir6 n LEU 487 Ca 0.00 -0.29 -0.35 0.00 -0.02 0.00 0.00 56.01 55.35 3ir6 n LEU 487 Cb 0.00 -0.29 0.03 0.00 -1.62 0.00 0.00 43.42 41.54 3ir6 n LEU 487 CO 0.00 0.15 -0.26 0.59 -1.22 0.00 0.00 177.39 176.65 3ir6 n ASN 488 N -0.11 -5.37 -4.56 -1.43 3.02 -1.26 -4.93 115.26 100.61 3ir6 n ASN 488 Ca 0.00 -0.37 -0.37 0.00 -0.03 0.00 0.00 54.58 53.82 3ir6 n ASN 488 Cb 0.15 -1.73 -0.11 0.00 -0.61 0.00 0.00 39.78 37.48 3ir6 n ASN 488 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ir6 s ASP 489 N -1.90 5.68 0.31 6.41 3.68 -1.26 -4.98 116.67 124.61 3ir6 s ASP 489 Ca 0.28 -0.04 0.24 0.00 2.13 0.00 0.00 52.55 55.17 3ir6 s ASP 489 Cb -0.03 -2.03 1.10 0.00 -1.45 0.00 0.00 42.92 40.52 3ir6 s ASP 489 CO 0.88 0.01 1.74 0.58 0.13 0.00 0.00 175.17 178.52 3ir6 h VAL 490 N 5.28 0.00 -0.00 1.11 2.07 -1.92 -2.74 116.25 120.04 3ir6 h VAL 490 Ca -0.37 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3ir6 h VAL 490 Cb 1.18 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3ir6 h VAL 490 CO 0.60 0.00 -0.86 0.59 0.02 0.00 0.00 177.57 177.92 3ir6 n ASN 491 N -2.34 1.23 -4.34 0.57 3.02 -1.26 -4.96 115.26 107.18 3ir6 n ASN 491 Ca 0.01 -1.10 -0.29 0.00 -0.03 0.00 0.00 54.58 53.17 3ir6 n ASN 491 Cb 0.18 0.86 0.16 0.00 -0.61 0.00 0.00 39.78 40.37 3ir6 n ASN 491 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ir6 s ALA 493 N -3.75 3.95 -0.14 0.00 0.00 -0.34 -4.92 121.76 116.57 3ir6 s ALA 493 Ca 0.71 -0.76 0.18 0.00 0.00 0.00 0.00 51.96 52.09 3ir6 s ALA 493 Cb -0.06 -1.90 -0.25 0.00 0.00 0.00 0.00 23.12 20.91 3ir6 s ALA 493 CO 0.51 0.76 0.33 0.25 0.00 0.00 0.00 175.76 177.62 3ir6 n THR 494 N 0.67 1.07 -3.48 0.00 -2.24 -1.26 -4.25 114.28 104.80 3ir6 n THR 494 Ca -0.08 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.83 3ir6 n THR 494 Cb 0.52 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 3ir6 n THR 494 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ir6 s SER 495 N -5.38 -0.50 0.65 3.42 1.04 -1.26 -4.98 113.70 106.68 3ir6 s SER 495 Ca -0.08 -0.08 0.41 0.00 0.48 0.00 0.00 55.95 56.68 3ir6 s SER 495 Cb 0.08 0.59 2.28 0.00 0.10 0.00 0.00 66.02 69.07 3ir6 s SER 495 CO 0.84 -0.97 2.34 1.88 0.98 0.00 0.00 173.24 178.31 3ir6 h TYR 496 N 2.05 0.00 0.00 5.02 0.99 -2.00 0.11 116.97 123.14 3ir6 h TYR 496 Ca -0.33 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.28 3ir6 h TYR 496 Cb 1.30 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 39.01 3ir6 h TYR 496 CO 0.25 0.00 -0.56 -0.44 -0.00 0.00 0.00 178.16 177.42 3ir6 h ASP 497 N 0.00 0.00 -2.57 3.88 3.32 -1.97 -1.69 116.42 117.39 3ir6 h ASP 497 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3ir6 h ASP 497 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3ir6 h ASP 497 CO -0.00 0.56 1.10 -0.62 -1.72 0.00 0.00 179.24 178.56 3ir6 s ASP 498 N -6.54 6.61 -0.88 6.45 2.15 0.37 -4.73 116.67 120.09 3ir6 s ASP 498 Ca 0.01 2.39 -0.25 0.00 0.43 0.00 0.00 52.55 55.13 3ir6 s ASP 498 Cb 0.10 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.19 3ir6 s ASP 498 CO 0.74 -0.95 1.62 -0.69 -0.17 0.00 0.00 175.17 175.72 3ir6 s VAL 499 N 3.84 3.67 0.23 1.11 1.01 -1.26 -4.60 120.40 124.40 3ir6 s VAL 499 Ca 0.77 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.48 3ir6 s VAL 499 Cb -0.37 -4.57 -0.02 0.00 0.00 0.00 0.00 36.38 31.43 3ir6 s VAL 499 CO 0.33 -1.49 0.15 0.29 0.00 0.00 0.00 175.10 174.37 3ir6 n LYS 500 N 9.01 0.43 -1.48 2.72 4.76 -1.26 -4.95 118.16 127.39 3ir6 n LYS 500 Ca 0.28 -2.16 -0.15 0.00 -2.87 0.00 0.00 58.31 53.41 3ir6 n LYS 500 Cb 0.50 1.54 -0.13 0.00 -1.84 0.00 0.00 35.03 35.10 3ir6 n LYS 500 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ir6 n ALA 501 N -1.62 0.62 -2.17 7.82 0.00 -1.26 -2.70 120.51 121.20 3ir6 n ALA 501 Ca -0.09 -1.25 -0.05 0.00 0.00 0.00 0.00 53.44 52.06 3ir6 n ALA 501 Cb 0.39 -2.65 0.02 0.00 0.00 0.00 0.00 19.45 17.21 3ir6 n ALA 501 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ir6 n TYR 502 N 12.52 -0.70 -3.99 0.00 0.53 -1.26 -3.35 117.16 120.91 3ir6 n TYR 502 Ca 0.48 0.26 -0.22 0.00 -1.02 0.00 0.00 57.90 57.41 3ir6 n TYR 502 Cb 0.34 -2.96 -0.05 0.00 -1.03 0.00 0.00 39.34 35.64 3ir6 n TYR 502 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 3ir6 s THR 503 N -3.11 3.44 0.25 -0.72 -4.23 -1.10 -4.27 115.64 105.91 3ir6 s THR 503 Ca 0.09 -1.54 -0.06 0.00 -1.18 0.00 0.00 61.69 59.00 3ir6 s THR 503 Cb -0.01 -3.11 0.26 0.00 1.34 0.00 0.00 72.50 70.98 3ir6 s THR 503 CO 0.22 -0.21 1.93 -0.65 -0.54 0.00 0.00 174.62 175.37 3ir6 h PRO 504 N 1.44 1.33 -0.70 3.99 0.11 -1.82 -1.30 132.00 135.04 3ir6 h PRO 504 Ca -0.45 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3ir6 h PRO 504 Cb 1.25 -0.30 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 3ir6 h PRO 504 CO 0.61 0.88 0.28 0.00 -0.21 0.00 0.00 178.00 179.55 3ir6 h ALA 505 N 1.37 0.91 0.14 -0.75 0.00 -1.58 -1.07 119.26 118.28 3ir6 h ALA 505 Ca 0.37 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ir6 h ALA 505 Cb -0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 3ir6 h ALA 505 CO -0.08 0.54 -0.24 2.35 0.00 0.00 0.00 179.25 181.82 3ir6 h TRP 506 N 1.00 -0.63 0.00 0.00 7.01 -1.61 -2.43 115.95 119.30 3ir6 h TRP 506 Ca 0.23 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.25 3ir6 h TRP 506 Cb 0.21 0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.53 3ir6 h TRP 506 CO 0.02 -0.34 0.00 0.00 -2.79 0.00 0.00 178.44 175.33 3ir6 h ALA 507 N 0.30 1.00 0.00 2.65 0.00 -1.03 -2.33 119.26 119.85 3ir6 h ALA 507 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3ir6 h ALA 507 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ir6 h ALA 507 CO -0.12 0.00 -0.44 1.49 0.00 0.00 0.00 179.25 180.18 3ir6 h GLU 508 N 0.00 0.00 0.11 0.00 4.81 -0.68 -1.24 114.58 117.58 3ir6 h GLU 508 Ca 0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 3ir6 h GLU 508 Cb 0.35 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.73 3ir6 h GLU 508 CO 0.00 0.44 -1.19 1.96 -0.73 0.00 0.00 179.01 179.49 3ir6 h GLN 509 N 0.00 0.32 0.02 1.92 4.20 -1.39 -1.02 115.11 119.16 3ir6 h GLN 509 Ca -0.00 -0.50 -0.07 0.00 0.06 0.00 0.00 58.65 58.14 3ir6 h GLN 509 Cb 0.89 0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.85 3ir6 h GLN 509 CO 0.06 1.21 -0.28 0.82 -0.67 0.00 0.00 178.83 179.96 3ir6 h ILE 510 N 0.12 1.58 0.14 2.54 1.08 -1.50 -3.39 117.51 118.06 3ir6 h ILE 510 Ca -0.13 -2.07 -0.35 0.00 -0.39 0.00 0.00 64.86 61.92 3ir6 h ILE 510 Cb 1.89 2.91 -0.01 0.00 -3.07 0.00 0.00 36.82 38.54 3ir6 h ILE 510 CO 0.20 0.57 -1.83 0.71 -0.69 0.00 0.00 178.15 177.11 3ir6 h THR 511 N -0.55 0.82 0.00 -0.27 1.35 -1.37 -3.41 112.91 109.48 3ir6 h THR 511 Ca -0.04 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 3ir6 h THR 511 Cb 1.08 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 3ir6 h THR 511 CO 0.06 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 3ir6 n GLY 512 N 1.87 0.82 3.65 5.82 0.00 -0.39 -1.82 105.19 115.15 3ir6 n GLY 512 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3ir6 n GLY 512 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ir6 s VAL 513 N -2.00 5.26 0.24 1.61 1.01 -1.25 -4.97 120.40 120.30 3ir6 s VAL 513 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 3ir6 s VAL 513 Cb 0.00 -3.63 -0.15 0.00 0.00 0.00 0.00 36.38 32.60 3ir6 s VAL 513 CO 0.00 0.27 0.92 -1.54 0.00 0.00 0.00 175.10 174.75 3ir6 n SER 514 N 4.54 0.65 -0.02 3.32 3.41 -1.26 -4.27 113.62 119.99 3ir6 n SER 514 Ca -0.11 1.16 0.01 0.00 -0.26 0.00 0.00 58.87 59.66 3ir6 n SER 514 Cb 0.51 -1.18 0.31 0.00 -0.26 0.00 0.00 64.21 63.59 3ir6 n SER 514 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3ir6 h ARG 515 N 2.00 0.56 -0.15 4.33 -0.00 -1.94 -2.28 114.38 116.90 3ir6 h ARG 515 Ca -0.37 -0.10 0.01 0.00 -0.00 0.00 0.00 59.98 59.52 3ir6 h ARG 515 Cb 1.37 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 31.24 3ir6 h ARG 515 CO 0.61 0.53 0.10 0.66 -0.00 0.00 0.00 179.97 181.88 3ir6 h SER 516 N 0.55 0.12 -0.02 0.08 4.64 -1.93 -1.00 113.55 115.99 3ir6 h SER 516 Ca 0.13 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 3ir6 h SER 516 Cb 0.23 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3ir6 h SER 516 CO -0.00 0.09 -0.09 1.56 -0.87 0.00 0.00 176.83 177.52 3ir6 h GLN 517 N 0.14 0.10 -0.58 4.77 1.08 -1.77 -0.91 115.11 117.94 3ir6 h GLN 517 Ca 0.06 -0.08 0.11 0.00 -1.45 0.00 0.00 58.65 57.30 3ir6 h GLN 517 Cb 0.07 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.43 3ir6 h GLN 517 CO -0.01 0.71 0.08 0.82 -0.95 0.00 0.00 178.83 179.48 3ir6 h ILE 518 N -0.48 0.60 0.43 2.54 1.08 -1.17 -1.89 117.51 118.62 3ir6 h ILE 518 Ca -0.00 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 3ir6 h ILE 518 Cb 0.72 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 3ir6 h ILE 518 CO 0.02 0.04 -0.21 0.40 -0.69 0.00 0.00 178.15 177.71 3ir6 h ILE 519 N 0.20 0.56 -0.19 -0.67 2.04 -1.21 -1.85 117.51 116.38 3ir6 h ILE 519 Ca 0.30 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3ir6 h ILE 519 Cb 0.47 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3ir6 h ILE 519 CO -0.43 0.05 -0.25 -0.09 0.00 0.00 0.00 178.15 177.44 3ir6 h ARG 520 N -0.76 -0.27 -0.17 2.37 2.43 -0.80 -0.50 114.38 116.67 3ir6 h ARG 520 Ca -0.06 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3ir6 h ARG 520 Cb 0.53 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3ir6 h ARG 520 CO 0.10 -0.18 0.02 0.82 -1.51 0.00 0.00 179.97 179.22 3ir6 h ILE 521 N -0.28 1.23 -0.81 1.20 1.08 -1.44 -0.46 117.51 118.03 3ir6 h ILE 521 Ca 0.12 -0.74 0.14 0.00 -0.39 0.00 0.00 64.86 63.98 3ir6 h ILE 521 Cb 0.46 1.39 -0.09 0.00 -3.07 0.00 0.00 36.82 35.51 3ir6 h ILE 521 CO -0.35 0.22 0.40 0.00 -0.69 0.00 0.00 178.15 177.73 3ir6 h ALA 522 N 0.81 1.19 -0.22 1.87 0.00 -1.13 0.18 119.26 121.97 3ir6 h ALA 522 Ca 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ir6 h ALA 522 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3ir6 h ALA 522 CO 0.00 -0.11 0.05 -0.09 0.00 0.00 0.00 179.25 179.11 3ir6 h ARG 523 N 0.58 0.36 -0.12 0.00 2.43 -0.71 -2.27 114.38 114.65 3ir6 h ARG 523 Ca 0.44 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 3ir6 h ARG 523 Cb 0.61 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3ir6 h ARG 523 CO -0.36 0.47 0.04 0.93 -1.51 0.00 0.00 179.97 179.54 3ir6 h GLU 524 N 0.18 0.19 -0.61 0.20 5.08 -0.19 -0.44 114.58 119.00 3ir6 h GLU 524 Ca 0.07 -0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 3ir6 h GLU 524 Cb 0.28 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.41 3ir6 h GLU 524 CO 0.00 0.34 0.05 0.35 -1.00 0.00 0.00 179.01 178.75 3ir6 h PHE 525 N 0.01 0.06 -0.16 4.33 3.57 -0.63 -0.35 116.94 123.76 3ir6 h PHE 525 Ca 0.04 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.36 3ir6 h PHE 525 Cb 0.23 0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.05 3ir6 h PHE 525 CO 0.00 -0.11 -0.76 0.00 -2.23 0.00 0.00 178.31 175.20 3ir6 h ALA 526 N 1.53 0.32 -0.51 2.41 0.00 -1.31 -2.48 119.26 119.22 3ir6 h ALA 526 Ca 0.32 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3ir6 h ALA 526 Cb 0.51 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3ir6 h ALA 526 CO -0.48 0.69 0.25 0.22 0.00 0.00 0.00 179.25 179.93 3ir6 h ASP 527 N 0.55 0.35 -0.49 0.00 -0.00 -0.45 0.49 116.42 116.87 3ir6 h ASP 527 Ca -0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 57.03 57.01 3ir6 h ASP 527 Cb 1.39 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 40.67 3ir6 h ASP 527 CO 0.16 0.24 0.30 -1.13 -0.00 0.00 0.00 179.24 178.80 3ir6 h ASN 528 N 0.49 0.59 -0.46 2.28 -1.24 -1.07 0.11 115.58 116.28 3ir6 h ASN 528 Ca 0.23 -0.06 -0.06 0.00 0.71 0.00 0.00 56.30 57.12 3ir6 h ASN 528 Cb 0.15 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 3ir6 h ASN 528 CO -0.17 0.48 0.10 0.00 -1.29 0.00 0.00 177.43 176.55 3ir6 h ALA 529 N 1.14 1.19 -0.05 1.57 0.00 -0.90 0.43 119.26 122.64 3ir6 h ALA 529 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ir6 h ALA 529 Cb -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3ir6 h ALA 529 CO -0.03 0.55 -0.02 0.22 0.00 0.00 0.00 179.25 179.97 3ir6 h ASP 530 N 0.78 0.10 -0.58 0.00 3.58 -0.51 0.47 116.42 120.26 3ir6 h ASP 530 Ca 0.17 -0.38 0.05 0.00 0.42 0.00 0.00 57.03 57.28 3ir6 h ASP 530 Cb 0.33 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 3ir6 h ASP 530 CO 0.00 0.46 0.32 0.11 -2.88 0.00 0.00 179.24 177.25 3ir6 h LYS 531 N -0.26 0.59 -0.03 0.28 1.57 -0.43 -3.07 116.57 115.22 3ir6 h LYS 531 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3ir6 h LYS 531 Cb 0.42 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3ir6 h LYS 531 CO 0.01 0.39 -0.09 0.25 -0.57 0.00 0.00 179.45 179.43 3ir6 n THR 532 N -4.83 0.00 -2.60 -0.16 -2.24 0.11 -5.00 114.28 99.56 3ir6 n THR 532 Ca 0.06 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 3ir6 n THR 532 Cb 0.14 1.43 0.04 0.00 -2.10 0.00 0.00 70.33 69.85 3ir6 n THR 532 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ir6 n HIS 533 N 1.03 -1.29 -0.16 4.78 8.25 0.37 -4.29 115.22 123.92 3ir6 n HIS 533 Ca 0.13 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 58.08 3ir6 n HIS 533 Cb 0.55 -3.53 0.00 0.00 1.12 0.00 0.00 29.99 28.13 3ir6 n HIS 533 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ir6 n GLY 534 N -1.23 0.88 2.47 -1.41 0.00 0.14 -4.92 105.19 101.12 3ir6 n GLY 534 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3ir6 n GLY 534 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir6 n ARG 535 N -2.15 3.44 -4.82 1.61 1.74 -1.26 -3.79 116.66 111.44 3ir6 n ARG 535 Ca 0.00 -2.83 -0.28 0.00 -0.77 0.00 0.00 57.85 53.97 3ir6 n ARG 535 Cb 0.00 -2.38 -0.17 0.00 -1.02 0.00 0.00 32.46 28.90 3ir6 n ARG 535 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3ir6 s SER 536 N 0.44 2.42 0.14 0.55 0.01 -1.19 -2.36 113.70 113.71 3ir6 s SER 536 Ca 0.57 -0.43 0.08 0.00 1.31 0.00 0.00 55.95 57.48 3ir6 s SER 536 Cb 0.29 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 3ir6 s SER 536 CO -0.15 0.08 -0.18 -0.32 0.41 0.00 0.00 173.24 173.08 3ir6 s MET 537 N 0.58 1.18 -0.23 12.44 0.00 -0.37 -2.04 119.30 130.87 3ir6 s MET 537 Ca -0.15 -1.32 -0.01 0.00 0.00 0.00 0.00 55.69 54.21 3ir6 s MET 537 Cb -0.17 -1.23 0.07 0.00 0.00 0.00 0.00 34.83 33.50 3ir6 s MET 537 CO 0.05 0.25 0.01 0.42 0.00 0.00 0.00 175.02 175.75 3ir6 s ILE 538 N -1.93 1.00 -0.14 10.11 1.01 -0.78 -2.37 121.20 128.10 3ir6 s ILE 538 Ca 0.12 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 3ir6 s ILE 538 Cb -0.06 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 3ir6 s ILE 538 CO 0.05 -0.23 0.81 -0.63 0.00 0.00 0.00 174.94 174.94 3ir6 s ILE 539 N 1.62 4.92 0.02 2.92 1.01 0.23 -1.33 121.20 130.59 3ir6 s ILE 539 Ca -0.01 1.61 0.03 0.00 0.00 0.00 0.00 60.65 62.27 3ir6 s ILE 539 Cb -0.18 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 3ir6 s ILE 539 CO -0.09 0.08 -0.10 0.54 0.00 0.00 0.00 174.94 175.37 3ir6 s VAL 540 N 1.81 0.77 0.00 2.92 0.11 0.31 0.01 120.40 126.34 3ir6 s VAL 540 Ca 0.39 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 3ir6 s VAL 540 Cb -0.17 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 3ir6 s VAL 540 CO 0.14 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 3ir6 n GLY 541 N 2.26 5.02 0.20 6.54 0.00 -0.74 -2.77 105.19 115.70 3ir6 n GLY 541 Ca -0.17 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.42 3ir6 n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir6 h ALA 542 N 1.00 1.28 -0.64 4.61 0.00 -1.80 -0.36 119.26 123.35 3ir6 h ALA 542 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3ir6 h ALA 542 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3ir6 h ALA 542 CO 0.00 -0.28 0.43 0.78 0.00 0.00 0.00 179.25 180.18 3ir6 h GLY 543 N 0.00 0.77 0.00 0.00 0.00 -1.50 -2.86 103.07 99.48 3ir6 h GLY 543 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 47.33 46.81 3ir6 h GLY 543 CO 0.00 0.17 -2.05 1.04 0.00 0.00 0.00 176.54 175.70 3ir6 n LEU 544 N -4.48 1.47 0.00 3.11 4.32 -0.17 -4.63 117.00 116.61 3ir6 n LEU 544 Ca 0.10 -0.05 0.12 0.00 -0.02 0.00 0.00 56.01 56.15 3ir6 n LEU 544 Cb 0.28 -0.14 0.66 0.00 -1.62 0.00 0.00 43.42 42.60 3ir6 n LEU 544 CO 0.34 0.59 0.89 -3.20 -1.22 0.00 0.00 177.39 174.79 3ir6 n ASN 545 N -2.80 0.00 -0.99 -1.43 5.15 -1.04 -3.54 115.26 110.61 3ir6 n ASN 545 Ca -0.29 -0.42 0.08 0.00 -0.60 0.00 0.00 54.58 53.35 3ir6 n ASN 545 Cb 0.92 -0.13 0.26 0.00 -0.53 0.00 0.00 39.78 40.30 3ir6 n ASN 545 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3ir6 n HIS 546 N -1.13 1.00 -3.90 1.20 8.25 -1.09 -4.82 115.22 114.73 3ir6 n HIS 546 Ca 0.15 -0.76 -0.27 0.00 -0.26 0.00 0.00 57.72 56.58 3ir6 n HIS 546 Cb 0.13 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.94 3ir6 n HIS 546 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ir6 s TRP 547 N -2.36 3.49 0.34 4.41 0.52 -1.23 -0.70 118.94 123.41 3ir6 s TRP 547 Ca 0.40 0.18 0.07 0.00 0.02 0.00 0.00 56.10 56.77 3ir6 s TRP 547 Cb 0.30 -1.72 0.76 0.00 -1.15 0.00 0.00 33.47 31.67 3ir6 s TRP 547 CO 0.12 0.50 1.88 -0.92 0.02 0.00 0.00 176.95 178.55 3ir6 h TYR 548 N 2.26 0.86 -1.89 -1.98 5.03 -1.92 -1.83 116.97 117.51 3ir6 h TYR 548 Ca -0.48 0.02 -0.75 0.00 2.58 0.00 0.00 58.73 60.11 3ir6 h TYR 548 Cb 1.19 -0.27 -0.26 0.00 1.55 0.00 0.00 36.73 38.93 3ir6 h TYR 548 CO 0.55 0.34 1.01 0.72 -1.32 0.00 0.00 178.16 179.46 3ir6 n HIS 549 N -4.56 2.89 -0.30 -3.82 8.25 -1.26 -4.67 115.22 111.75 3ir6 n HIS 549 Ca 0.17 -2.32 -0.00 0.00 -0.26 0.00 0.00 57.72 55.30 3ir6 n HIS 549 Cb 0.42 -1.21 0.19 0.00 1.12 0.00 0.00 29.99 30.50 3ir6 n HIS 549 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 3ir6 h LEU 550 N 3.02 1.00 -1.13 2.41 -0.00 -1.56 -2.20 115.31 116.86 3ir6 h LEU 550 Ca 0.56 -0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.55 3ir6 h LEU 550 Cb 0.11 -0.24 -0.08 0.00 -0.00 0.00 0.00 40.66 40.44 3ir6 h LEU 550 CO 1.40 0.71 0.61 0.44 -0.00 0.00 0.00 178.44 181.60 3ir6 h ASP 551 N 1.17 0.81 -0.33 0.17 3.32 -1.87 0.02 116.42 119.71 3ir6 h ASP 551 Ca 0.33 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.28 3ir6 h ASP 551 Cb -0.10 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3ir6 h ASP 551 CO -0.08 0.42 -0.38 0.24 -1.72 0.00 0.00 179.24 177.72 3ir6 h MET 552 N 0.87 0.85 -0.01 3.56 2.86 -1.75 0.11 114.93 121.42 3ir6 h MET 552 Ca 0.48 -0.46 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3ir6 h MET 552 Cb 0.58 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 3ir6 h MET 552 CO -0.24 1.10 0.00 -0.91 1.06 0.00 0.00 176.91 177.93 3ir6 h ASN 553 N 0.63 0.01 -0.65 1.22 2.35 -1.08 -0.42 115.58 117.64 3ir6 h ASN 553 Ca 0.05 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 3ir6 h ASN 553 Cb 0.97 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.31 3ir6 h ASN 553 CO 0.09 0.14 0.10 1.88 -1.65 0.00 0.00 177.43 177.99 3ir6 h TYR 554 N -0.12 1.16 0.00 1.19 -1.99 -1.01 -1.86 116.97 114.34 3ir6 h TYR 554 Ca 0.00 -0.16 -0.06 0.00 2.00 0.00 0.00 58.73 60.51 3ir6 h TYR 554 Cb 0.13 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 3ir6 h TYR 554 CO -0.03 0.98 -0.29 0.00 -0.00 0.00 0.00 178.16 178.82 3ir6 h ARG 555 N 1.01 0.00 0.16 4.88 3.08 -0.69 0.36 114.38 123.17 3ir6 h ARG 555 Ca 0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 3ir6 h ARG 555 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3ir6 h ARG 555 CO 0.01 0.29 -0.08 0.78 -1.07 0.00 0.00 179.97 179.90 3ir6 h GLY 556 N 1.20 -0.23 1.05 0.04 0.00 -0.52 -1.19 103.07 103.42 3ir6 h GLY 556 Ca -0.00 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3ir6 h GLY 556 CO 0.04 -0.08 0.30 1.41 0.00 0.00 0.00 176.54 178.20 3ir6 h LEU 557 N -0.38 1.10 -0.50 3.11 4.07 -0.77 -3.15 115.31 118.79 3ir6 h LEU 557 Ca -0.02 -0.18 -0.05 0.00 0.08 0.00 0.00 57.88 57.71 3ir6 h LEU 557 Cb 0.30 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 3ir6 h LEU 557 CO 0.04 0.98 0.13 0.40 -1.08 0.00 0.00 178.44 178.91 3ir6 h ILE 558 N 1.15 1.24 -0.89 1.22 2.04 -0.20 -2.92 117.51 119.14 3ir6 h ILE 558 Ca 0.26 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3ir6 h ILE 558 Cb 0.24 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3ir6 h ILE 558 CO -0.02 0.30 0.54 0.78 0.00 0.00 0.00 178.15 179.74 3ir6 h ASN 559 N 0.68 1.07 -0.68 1.72 -0.26 -1.18 -0.15 115.58 116.78 3ir6 h ASN 559 Ca 0.16 -0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.84 3ir6 h ASN 559 Cb 0.31 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.26 3ir6 h ASN 559 CO -0.00 0.82 0.45 0.24 -1.06 0.00 0.00 177.43 177.88 3ir6 h MET 560 N 1.23 0.90 -0.28 0.81 2.86 -1.51 0.12 114.93 119.06 3ir6 h MET 560 Ca 0.32 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.78 3ir6 h MET 560 Cb -0.05 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 3ir6 h MET 560 CO -0.06 0.60 -0.33 -0.07 1.06 0.00 0.00 176.91 178.12 3ir6 h LEU 561 N 0.92 0.62 -0.06 1.22 3.38 -1.19 -2.81 115.31 117.39 3ir6 h LEU 561 Ca 0.25 -0.25 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3ir6 h LEU 561 Cb -0.10 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.50 3ir6 h LEU 561 CO -0.05 0.90 -0.98 0.40 0.09 0.00 0.00 178.44 178.80 3ir6 h ILE 562 N 0.51 1.29 0.00 1.22 2.04 -0.72 -0.20 117.51 121.65 3ir6 h ILE 562 Ca 0.06 -2.22 -0.00 0.00 1.00 0.00 0.00 64.86 63.69 3ir6 h ILE 562 Cb 0.81 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 39.20 3ir6 h ILE 562 CO 0.07 0.69 -0.02 -0.26 0.00 0.00 0.00 178.15 178.62 3ir6 h PHE 563 N 0.40 0.00 -0.36 1.37 0.05 -0.72 -1.44 116.94 116.24 3ir6 h PHE 563 Ca -0.11 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.68 3ir6 h PHE 563 Cb 1.63 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.58 3ir6 h PHE 563 CO 0.09 0.02 0.00 0.00 -0.18 0.00 0.00 178.31 178.25 3ir6 n GLY 565 N -0.07 -0.41 0.08 0.00 0.00 -0.54 -4.19 105.19 100.05 3ir6 n GLY 565 Ca 0.22 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 3ir6 n GLY 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir6 s VAL 567 N -2.61 3.05 0.00 0.00 1.01 -1.26 -2.59 120.40 118.00 3ir6 s VAL 567 Ca -0.04 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.83 3ir6 s VAL 567 Cb 0.08 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3ir6 s VAL 567 CO 0.82 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.68 3ir6 n GLY 568 N 2.09 0.68 3.15 4.51 0.00 -1.15 -4.95 105.19 109.53 3ir6 n GLY 568 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3ir6 n GLY 568 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ir6 s GLN 569 N -0.28 3.04 -0.20 1.61 -1.52 -1.07 -4.27 119.66 116.97 3ir6 s GLN 569 Ca 0.00 -0.81 -0.38 0.00 -1.95 0.00 0.00 55.36 52.22 3ir6 s GLN 569 Cb 0.00 -2.59 -0.15 0.00 -0.22 0.00 0.00 33.01 30.05 3ir6 s GLN 569 CO 0.00 -0.17 1.75 0.45 -0.25 0.00 0.00 175.29 177.07 3ir6 n SER 570 N 4.53 2.64 0.00 5.90 2.88 -1.26 0.23 113.62 128.53 3ir6 n SER 570 Ca -0.21 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 3ir6 n SER 570 Cb 0.50 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 3ir6 n SER 570 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ir6 n GLY 571 N 4.14 0.81 3.26 0.46 0.00 -1.26 -4.74 105.19 107.86 3ir6 n GLY 571 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 3ir6 n GLY 571 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ir6 s GLY 572 N -1.76 0.15 0.00 -0.02 0.00 0.13 -3.15 107.32 102.67 3ir6 s GLY 572 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3ir6 s GLY 572 CO 0.00 -0.75 0.00 0.61 0.00 0.00 0.00 173.10 172.96 3ir6 n GLY 573 N -0.12 0.70 3.38 0.20 0.00 -0.87 -4.30 105.19 104.18 3ir6 n GLY 573 Ca -0.13 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 3ir6 n GLY 573 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ir6 s TRP 574 N -1.32 3.26 -0.62 1.61 -0.00 -1.26 -1.87 118.94 118.74 3ir6 s TRP 574 Ca 0.00 -0.97 -0.09 0.00 -0.00 0.00 0.00 56.10 55.04 3ir6 s TRP 574 Cb 0.00 -2.67 0.16 0.00 -0.00 0.00 0.00 33.47 30.96 3ir6 s TRP 574 CO 0.00 -0.69 0.50 0.00 -0.00 0.00 0.00 176.95 176.75 3ir6 s ALA 575 N 1.57 3.65 -0.33 5.86 0.00 -0.45 -4.59 121.76 127.48 3ir6 s ALA 575 Ca 0.03 -2.97 -0.15 0.00 0.00 0.00 0.00 51.96 48.88 3ir6 s ALA 575 Cb -0.21 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 3ir6 s ALA 575 CO 0.07 -2.07 0.34 -1.58 0.00 0.00 0.00 175.76 172.52 3ir6 s HIS 576 N 0.62 3.22 -0.08 0.00 5.04 -1.26 -0.53 115.29 122.30 3ir6 s HIS 576 Ca 0.12 0.00 0.02 0.00 -1.54 0.00 0.00 55.06 53.67 3ir6 s HIS 576 Cb -0.20 -2.63 0.01 0.00 0.04 0.00 0.00 32.58 29.81 3ir6 s HIS 576 CO -0.04 -0.39 -0.13 0.71 -2.34 0.00 0.00 174.74 172.55 3ir6 s TYR 577 N 1.98 1.58 0.00 3.88 2.02 -1.11 -4.90 117.35 120.79 3ir6 s TYR 577 Ca 0.11 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 3ir6 s TYR 577 Cb -0.17 -1.16 0.00 0.00 -0.40 0.00 0.00 41.96 40.23 3ir6 s TYR 577 CO 0.11 -0.34 0.00 1.33 -1.57 0.00 0.00 175.55 175.09 3ir6 n VAL 578 N 3.97 0.00 -1.30 0.71 0.24 -1.26 -4.57 118.33 116.13 3ir6 n VAL 578 Ca -0.21 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.79 3ir6 n VAL 578 Cb 0.52 0.00 0.13 0.00 -1.47 0.00 0.00 33.84 33.02 3ir6 n VAL 578 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ir6 s GLY 579 N 0.00 1.61 0.00 7.63 0.00 -1.26 -5.10 107.32 110.19 3ir6 s GLY 579 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.54 3ir6 s GLY 579 CO 0.00 0.32 0.00 1.18 0.00 0.00 0.00 173.10 174.60 3ir6 n GLU 581 N -3.83 0.00 -3.24 2.90 -0.58 -1.26 -5.08 120.64 109.54 3ir6 n GLU 581 Ca 0.07 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.78 3ir6 n GLU 581 Cb 0.56 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.39 3ir6 n GLU 581 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3ir6 s LYS 582 N 2.89 0.47 -0.80 3.49 2.20 -1.26 -4.73 119.74 122.00 3ir6 s LYS 582 Ca 0.00 0.69 -0.26 0.00 -0.36 0.00 0.00 55.97 56.04 3ir6 s LYS 582 Cb 0.00 0.04 0.04 0.00 -1.51 0.00 0.00 37.83 36.40 3ir6 s LYS 582 CO 0.00 -0.71 1.31 -1.17 -0.36 0.00 0.00 175.35 174.41 3ir6 s LEU 583 N 2.70 3.28 0.05 5.43 0.20 -1.26 -3.28 118.68 125.80 3ir6 s LEU 583 Ca 0.16 -0.69 -0.20 0.00 0.69 0.00 0.00 54.13 54.09 3ir6 s LEU 583 Cb -0.14 -2.56 -0.13 0.00 -0.43 0.00 0.00 46.19 42.92 3ir6 s LEU 583 CO -0.20 -1.75 1.38 0.03 -0.29 0.00 0.00 176.35 175.51 3ir6 h ARG 584 N 9.96 0.36 -2.05 1.98 3.08 -1.91 -3.30 114.38 122.50 3ir6 h ARG 584 Ca -0.17 -0.17 -0.19 0.00 0.07 0.00 0.00 59.98 59.51 3ir6 h ARG 584 Cb 1.04 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.02 3ir6 h ARG 584 CO 1.31 0.70 -0.28 -0.35 -1.07 0.00 0.00 179.97 180.28 3ir6 n PRO 585 N -4.58 1.97 0.00 0.04 -0.04 -1.26 -4.76 135.00 126.37 3ir6 n PRO 585 Ca -0.06 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 3ir6 n PRO 585 Cb 0.33 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 3ir6 n PRO 585 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3ir6 n GLN 586 N 2.54 0.00 0.19 0.54 7.27 -1.25 -2.31 117.38 124.36 3ir6 n GLN 586 Ca 0.42 0.74 0.08 0.00 0.07 0.00 0.00 57.00 58.32 3ir6 n GLN 586 Cb 0.88 -1.40 0.43 0.00 2.41 0.00 0.00 30.24 32.57 3ir6 n GLN 586 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 3ir6 h THR 587 N 0.00 0.00 -0.01 1.69 1.35 -1.91 1.20 112.91 115.23 3ir6 h THR 587 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3ir6 h THR 587 Cb 0.00 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 66.77 3ir6 h THR 587 CO 0.00 0.00 -0.26 0.61 -0.25 0.00 0.00 175.52 175.62 3ir6 n GLY 588 N -1.27 -0.11 0.03 5.82 0.00 -0.98 -4.31 105.19 104.37 3ir6 n GLY 588 Ca -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 3ir6 n GLY 588 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3ir6 n TRP 589 N -0.08 0.00 -0.34 1.61 -0.00 0.39 -3.65 117.44 115.37 3ir6 n TRP 589 Ca 0.12 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.70 3ir6 n TRP 589 Cb 0.42 -0.22 0.25 0.00 -0.00 0.00 0.00 31.31 31.75 3ir6 n TRP 589 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3ir6 h GLN 590 N 0.00 0.85 0.00 5.87 4.20 -1.13 0.39 115.11 125.29 3ir6 h GLN 590 Ca -0.13 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 3ir6 h GLN 590 Cb 1.22 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 3ir6 h GLN 590 CO -0.01 0.56 -0.47 -1.00 -0.67 0.00 0.00 178.83 177.24 3ir6 h PRO 591 N 0.87 0.00 0.17 1.46 0.13 -1.84 -1.13 132.00 131.65 3ir6 h PRO 591 Ca 0.50 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.37 3ir6 h PRO 591 Cb 0.59 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.75 3ir6 h PRO 591 CO -0.30 0.47 -1.13 1.25 -0.23 0.00 0.00 178.00 178.06 3ir6 h LEU 592 N 0.00 0.70 -0.62 1.56 5.85 -1.52 -0.84 115.31 120.44 3ir6 h LEU 592 Ca -0.00 -0.90 -0.13 0.00 0.84 0.00 0.00 57.88 57.69 3ir6 h LEU 592 Cb 0.89 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3ir6 h LEU 592 CO 0.06 1.54 -0.63 0.00 -0.34 0.00 0.00 178.44 179.07 3ir6 h ALA 593 N 0.17 0.85 -0.04 1.25 0.00 -0.96 -3.30 119.26 117.23 3ir6 h ALA 593 Ca -0.19 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3ir6 h ALA 593 Cb 1.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3ir6 h ALA 593 CO 0.21 0.79 0.00 1.19 0.00 0.00 0.00 179.25 181.44 3ir6 n PHE 594 N -3.63 0.15 -4.11 0.00 0.99 -0.43 -2.00 117.46 108.43 3ir6 n PHE 594 Ca -0.01 -0.95 -0.30 0.00 -0.00 0.00 0.00 57.45 56.19 3ir6 n PHE 594 Cb 0.66 -0.17 -0.04 0.00 -1.00 0.00 0.00 39.48 38.93 3ir6 n PHE 594 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ir6 n ALA 595 N -1.23 -1.73 1.47 4.37 0.00 -0.48 -4.74 120.51 118.17 3ir6 n ALA 595 Ca 0.16 -0.20 0.15 0.00 0.00 0.00 0.00 53.44 53.55 3ir6 n ALA 595 Cb 0.66 -2.10 0.71 0.00 0.00 0.00 0.00 19.45 18.71 3ir6 n ALA 595 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ir6 n LEU 596 N -4.42 0.23 0.02 0.00 4.77 -0.44 -1.88 117.00 115.28 3ir6 n LEU 596 Ca -0.17 0.13 0.13 0.00 -0.03 0.00 0.00 56.01 56.07 3ir6 n LEU 596 Cb 0.62 -0.21 0.47 0.00 -2.33 0.00 0.00 43.42 41.97 3ir6 n LEU 596 CO 0.81 0.04 0.80 -0.90 -1.33 0.00 0.00 177.39 176.81 3ir6 n ASP 597 N -1.10 0.30 -0.03 -1.43 3.85 -1.24 -4.24 116.55 112.67 3ir6 n ASP 597 Ca 0.15 0.34 -0.05 0.00 -0.71 0.00 0.00 54.79 54.52 3ir6 n ASP 597 Cb 0.25 -0.36 -0.02 0.00 -1.35 0.00 0.00 41.12 39.63 3ir6 n ASP 597 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3ir6 n TRP 598 N -1.69 0.00 -4.09 2.11 7.02 -1.08 -1.14 117.44 118.56 3ir6 n TRP 598 Ca 0.06 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.42 3ir6 n TRP 598 Cb 0.36 -0.20 -0.11 0.00 -2.42 0.00 0.00 31.31 28.95 3ir6 n TRP 598 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3ir6 s GLN 599 N -2.10 0.61 -0.05 -0.99 -0.21 -0.79 -4.82 119.66 111.31 3ir6 s GLN 599 Ca -0.07 -0.90 -0.02 0.00 0.02 0.00 0.00 55.36 54.39 3ir6 s GLN 599 Cb 0.03 -0.29 0.04 0.00 1.00 0.00 0.00 33.01 33.78 3ir6 s GLN 599 CO 0.10 0.04 0.09 1.03 -2.12 0.00 0.00 175.29 174.43 3ir6 s ARG 600 N -2.10 0.02 0.38 2.91 3.00 -1.26 -3.86 118.95 118.03 3ir6 s ARG 600 Ca -0.05 0.31 0.05 0.00 0.00 0.00 0.00 55.73 56.04 3ir6 s ARG 600 Cb -0.06 -0.24 0.05 0.00 0.00 0.00 0.00 34.95 34.69 3ir6 s ARG 600 CO -0.01 -0.19 0.39 -0.35 0.00 0.00 0.00 175.30 175.14 3ir6 n PRO 601 N 4.35 0.86 -3.34 3.54 -0.04 -1.26 -4.79 135.00 134.31 3ir6 n PRO 601 Ca -0.24 -2.21 -0.21 0.00 -0.04 0.00 0.00 63.50 60.79 3ir6 n PRO 601 Cb 0.51 0.07 0.02 0.00 -0.04 0.00 0.00 33.50 34.06 3ir6 n PRO 601 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ir6 s ALA 602 N -2.50 4.53 -0.91 0.55 0.00 -1.26 -5.04 121.76 117.12 3ir6 s ALA 602 Ca 0.29 -1.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.32 3ir6 s ALA 602 Cb -0.02 -1.21 0.23 0.00 0.00 0.00 0.00 23.12 22.11 3ir6 s ALA 602 CO 0.19 -0.59 0.88 1.03 0.00 0.00 0.00 175.76 177.27 3ir6 s ARG 603 N -4.45 3.77 0.17 0.00 0.52 -1.26 -5.04 118.95 112.66 3ir6 s ARG 603 Ca 0.51 -2.62 -0.21 0.00 -0.52 0.00 0.00 55.73 52.90 3ir6 s ARG 603 Cb -0.05 -4.50 -0.08 0.00 0.52 0.00 0.00 34.95 30.85 3ir6 s ARG 603 CO 0.32 -1.31 0.69 -1.01 0.02 0.00 0.00 175.30 174.01 3ir6 s HIS 604 N -0.05 3.74 -0.01 -0.53 3.76 -1.26 -0.64 115.29 120.31 3ir6 s HIS 604 Ca 0.22 1.40 -0.00 0.00 -0.15 0.00 0.00 55.06 56.53 3ir6 s HIS 604 Cb -0.10 -2.61 0.01 0.00 1.11 0.00 0.00 32.58 30.99 3ir6 s HIS 604 CO -0.09 0.44 0.01 1.41 -0.85 0.00 0.00 174.74 175.66 3ir6 s MET 605 N -1.59 0.00 -0.41 1.40 0.00 -0.77 -4.71 119.30 113.22 3ir6 s MET 605 Ca 0.38 0.04 -0.27 0.00 0.00 0.00 0.00 55.69 55.84 3ir6 s MET 605 Cb -0.19 -0.04 0.02 0.00 0.00 0.00 0.00 34.83 34.63 3ir6 s MET 605 CO 0.22 -0.03 1.00 0.54 0.00 0.00 0.00 175.02 176.74 3ir6 s ASN 606 N 0.18 6.67 0.53 1.11 4.22 -1.26 -0.18 114.94 126.19 3ir6 s ASN 606 Ca -0.01 0.52 0.19 0.00 -2.14 0.00 0.00 52.86 51.42 3ir6 s ASN 606 Cb -0.02 -2.49 1.33 0.00 1.28 0.00 0.00 41.25 41.35 3ir6 s ASN 606 CO -0.00 -0.99 2.12 0.28 -2.04 0.00 0.00 177.10 176.47 3ir6 h SER 607 N 8.72 0.00 -0.26 3.54 0.02 -1.92 -2.98 113.55 120.67 3ir6 h SER 607 Ca -0.23 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.68 3ir6 h SER 607 Cb 1.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3ir6 h SER 607 CO 1.03 0.00 -0.01 0.74 -1.14 0.00 0.00 176.83 177.45 3ir6 h THR 608 N 0.00 1.26 -0.76 -2.27 2.02 -1.92 -0.02 112.91 111.23 3ir6 h THR 608 Ca 0.05 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 3ir6 h THR 608 Cb 0.21 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 3ir6 h THR 608 CO -0.00 0.30 0.26 0.28 0.37 0.00 0.00 175.52 176.73 3ir6 h SER 609 N 0.25 1.08 0.04 4.18 0.02 -1.84 0.93 113.55 118.21 3ir6 h SER 609 Ca 0.07 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3ir6 h SER 609 Cb 0.44 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3ir6 h SER 609 CO 0.02 0.98 -0.14 0.22 -1.14 0.00 0.00 176.83 176.76 3ir6 h TYR 610 N 1.12 -0.37 0.02 3.45 3.20 -1.34 -1.59 116.97 121.45 3ir6 h TYR 610 Ca 0.25 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.91 3ir6 h TYR 610 Cb 0.27 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 3ir6 h TYR 610 CO 0.02 -0.22 -0.95 0.74 -1.64 0.00 0.00 178.16 176.12 3ir6 h PHE 611 N -0.26 0.46 -0.99 -3.82 -1.00 -0.89 -0.75 116.94 109.67 3ir6 h PHE 611 Ca 0.04 -0.26 0.10 0.00 2.81 0.00 0.00 57.97 60.66 3ir6 h PHE 611 Cb 0.30 -0.05 -0.08 0.00 3.61 0.00 0.00 35.95 39.74 3ir6 h PHE 611 CO -0.18 1.09 0.63 -0.92 -1.61 0.00 0.00 178.31 177.32 3ir6 h TYR 612 N 0.16 1.14 0.04 -0.55 -0.00 -0.69 0.03 116.97 117.09 3ir6 h TYR 612 Ca -0.07 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.69 3ir6 h TYR 612 Cb 1.60 -0.37 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 3ir6 h TYR 612 CO 0.05 0.50 -0.02 -0.97 -0.00 0.00 0.00 178.16 177.72 3ir6 h ASN 613 N 1.04 -0.04 1.06 -2.11 -1.24 -1.19 -1.44 115.58 111.66 3ir6 h ASN 613 Ca 0.47 -0.49 -0.16 0.00 0.71 0.00 0.00 56.30 56.83 3ir6 h ASN 613 Cb 0.38 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.42 3ir6 h ASN 613 CO -0.23 0.68 -0.75 0.45 -1.29 0.00 0.00 177.43 176.29 3ir6 h HIS 614 N -0.97 0.00 -0.36 0.67 3.86 -1.09 -2.61 115.15 114.65 3ir6 h HIS 614 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ir6 h HIS 614 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3ir6 h HIS 614 CO 0.13 0.75 0.00 -1.13 0.86 0.00 0.00 177.93 178.54 3ir6 n SER 615 N -3.40 1.92 -3.96 2.45 3.41 -0.01 -4.46 113.62 109.57 3ir6 n SER 615 Ca 0.00 -2.00 -0.32 0.00 -0.26 0.00 0.00 58.87 56.29 3ir6 n SER 615 Cb 0.80 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3ir6 n SER 615 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ir6 n SER 616 N 0.55 -3.04 0.00 4.04 7.64 -0.99 -4.46 113.62 117.36 3ir6 n SER 616 Ca 0.12 -0.80 0.10 0.00 1.01 0.00 0.00 58.87 59.30 3ir6 n SER 616 Cb 0.30 -2.53 0.47 0.00 -1.01 0.00 0.00 64.21 61.44 3ir6 n SER 616 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ir6 n GLN 617 N -4.04 0.16 0.20 1.43 6.02 -0.56 -2.26 117.38 118.32 3ir6 n GLN 617 Ca 0.06 0.13 0.09 0.00 -0.01 0.00 0.00 57.00 57.27 3ir6 n GLN 617 Cb 0.50 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.48 3ir6 n GLN 617 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 3ir6 h TRP 618 N 0.00 0.00 0.00 1.08 5.08 -1.85 -3.16 115.95 117.11 3ir6 h TRP 618 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3ir6 h TRP 618 Cb 0.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 3ir6 h TRP 618 CO 0.00 0.19 0.00 0.54 -1.28 0.00 0.00 178.44 177.89 3ir6 n ARG 619 N -3.19 0.72 -0.04 0.12 1.74 -0.96 -2.31 116.66 112.75 3ir6 n ARG 619 Ca 0.02 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.11 3ir6 n ARG 619 Cb 0.56 -1.34 0.01 0.00 -1.02 0.00 0.00 32.46 30.66 3ir6 n ARG 619 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ir6 n TYR 620 N -0.84 0.00 -1.65 -1.55 4.02 -1.19 -1.20 117.16 114.75 3ir6 n TYR 620 Ca 0.12 -0.28 -0.42 0.00 -0.01 0.00 0.00 57.90 57.31 3ir6 n TYR 620 Cb 0.05 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 3ir6 n TYR 620 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3ir6 n GLU 621 N -0.30 1.69 0.00 -0.72 4.07 -0.98 -4.88 120.64 119.52 3ir6 n GLU 621 Ca 0.01 0.60 0.00 0.00 -0.06 0.00 0.00 57.16 57.71 3ir6 n GLU 621 Cb 0.42 -2.15 0.00 0.00 -0.06 0.00 0.00 31.44 29.65 3ir6 n GLU 621 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3ir6 n THR 622 N -0.05 0.00 -3.35 6.31 -2.24 -1.26 -4.90 114.28 108.79 3ir6 n THR 622 Ca 0.07 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 3ir6 n THR 622 Cb 0.37 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 69.00 3ir6 n THR 622 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ir6 s VAL 623 N -1.84 5.17 -0.09 2.28 1.01 -1.26 -4.99 120.40 120.68 3ir6 s VAL 623 Ca 0.00 0.76 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 3ir6 s VAL 623 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3ir6 s VAL 623 CO 0.00 0.23 -0.02 0.42 0.00 0.00 0.00 175.10 175.73 3ir6 s THR 624 N 1.42 4.14 0.35 3.92 -4.23 -1.26 -4.72 115.64 115.25 3ir6 s THR 624 Ca 0.20 -0.31 0.10 0.00 -1.18 0.00 0.00 61.69 60.50 3ir6 s THR 624 Cb -0.15 -2.74 0.33 0.00 1.34 0.00 0.00 72.50 71.28 3ir6 s THR 624 CO 0.08 0.59 1.84 0.00 -0.54 0.00 0.00 174.62 176.60 3ir6 h ALA 625 N 5.40 1.86 -0.65 3.99 0.00 -1.94 -2.66 119.26 125.26 3ir6 h ALA 625 Ca -0.48 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.55 3ir6 h ALA 625 Cb 1.19 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 3ir6 h ALA 625 CO 0.55 -0.14 -0.48 1.49 0.00 0.00 0.00 179.25 180.68 3ir6 h GLU 626 N 0.67 -0.20 0.00 0.00 4.22 -1.90 0.24 114.58 117.61 3ir6 h GLU 626 Ca 0.48 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.94 3ir6 h GLU 626 Cb 0.84 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3ir6 h GLU 626 CO -0.24 -0.13 0.00 -0.85 -2.18 0.00 0.00 179.01 175.61 3ir6 n GLU 627 N -5.38 0.12 0.00 1.92 0.28 -1.00 -0.86 120.64 115.71 3ir6 n GLU 627 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 3ir6 n GLU 627 Cb 0.34 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.04 3ir6 n GLU 627 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3ir6 n LEU 628 N -0.67 0.57 -4.76 -1.84 4.77 0.82 -5.05 117.00 110.83 3ir6 n LEU 628 Ca 0.01 -0.77 -0.31 0.00 -0.03 0.00 0.00 56.01 54.91 3ir6 n LEU 628 Cb 0.00 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 3ir6 n LEU 628 CO 0.01 0.14 0.70 -0.76 -1.33 0.00 0.00 177.39 176.14 3ir6 s LEU 629 N -0.81 2.94 0.46 2.23 2.01 -0.04 -4.63 118.68 120.84 3ir6 s LEU 629 Ca 0.00 1.79 -0.21 0.00 0.01 0.00 0.00 54.13 55.72 3ir6 s LEU 629 Cb 0.00 -4.45 -0.09 0.00 0.01 0.00 0.00 46.19 41.65 3ir6 s LEU 629 CO 0.00 -2.12 1.01 -0.55 1.01 0.00 0.00 176.35 175.71 3ir6 s SER 630 N -3.39 6.57 0.01 2.29 0.15 0.10 -4.79 113.70 114.64 3ir6 s SER 630 Ca 0.61 1.88 0.14 0.00 0.70 0.00 0.00 55.95 59.28 3ir6 s SER 630 Cb -0.17 -2.56 0.59 0.00 -1.71 0.00 0.00 66.02 62.17 3ir6 s SER 630 CO 0.56 -0.62 1.44 -0.81 1.20 0.00 0.00 173.24 175.01 3ir6 n PRO 631 N -0.73 0.01 -0.98 5.44 -0.04 -1.26 -2.36 135.00 135.07 3ir6 n PRO 631 Ca 0.08 0.27 -0.05 0.00 -0.04 0.00 0.00 63.50 63.77 3ir6 n PRO 631 Cb 0.52 -1.51 0.30 0.00 -0.04 0.00 0.00 33.50 32.77 3ir6 n PRO 631 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3ir6 n MET 632 N -1.52 3.59 -4.36 0.54 2.81 -1.26 -4.98 117.12 111.93 3ir6 n MET 632 Ca 0.03 -3.09 -0.28 0.00 -1.81 0.00 0.00 57.70 52.56 3ir6 n MET 632 Cb 0.16 -2.18 -0.11 0.00 -0.71 0.00 0.00 33.22 30.38 3ir6 n MET 632 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ir6 s ALA 633 N -3.00 2.66 -0.62 3.04 0.00 -1.00 -5.03 121.76 117.81 3ir6 s ALA 633 Ca 0.54 -1.52 -0.24 0.00 0.00 0.00 0.00 51.96 50.74 3ir6 s ALA 633 Cb 0.43 -0.51 -0.20 0.00 0.00 0.00 0.00 23.12 22.84 3ir6 s ALA 633 CO 0.13 0.48 1.86 -3.47 0.00 0.00 0.00 175.76 174.75 3ir6 n ASP 634 N 0.37 2.20 -0.18 0.00 4.64 -1.26 -4.81 116.55 117.52 3ir6 n ASP 634 Ca -0.13 -2.64 0.17 0.00 -1.38 0.00 0.00 54.79 50.81 3ir6 n ASP 634 Cb 0.55 -1.01 0.30 0.00 -1.04 0.00 0.00 41.12 39.93 3ir6 n ASP 634 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3ir6 n LYS 635 N 7.27 -0.03 -0.59 -0.67 4.76 -1.26 0.21 118.16 127.86 3ir6 n LYS 635 Ca 0.49 0.68 -0.04 0.00 -2.87 0.00 0.00 58.31 56.57 3ir6 n LYS 635 Cb 0.41 -1.24 0.17 0.00 -1.84 0.00 0.00 35.03 32.53 3ir6 n LYS 635 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3ir6 n SER 636 N -4.04 3.56 0.00 4.39 3.41 -1.26 -3.23 113.62 116.45 3ir6 n SER 636 Ca 0.19 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 3ir6 n SER 636 Cb 0.68 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3ir6 n SER 636 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ir6 n ARG 637 N -0.00 0.23 -3.22 4.33 1.74 0.57 -4.79 116.66 115.52 3ir6 n ARG 637 Ca 0.24 -0.77 -0.24 0.00 -0.77 0.00 0.00 57.85 56.31 3ir6 n ARG 637 Cb 0.96 -0.97 -0.07 0.00 -1.02 0.00 0.00 32.46 31.35 3ir6 n ARG 637 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ir6 n TYR 638 N -0.15 -0.56 -3.85 -1.55 4.02 -1.20 -5.07 117.16 108.80 3ir6 n TYR 638 Ca 0.00 -3.46 -0.22 0.00 -0.01 0.00 0.00 57.90 54.21 3ir6 n TYR 638 Cb 0.09 -0.18 -0.05 0.00 -0.02 0.00 0.00 39.34 39.19 3ir6 n TYR 638 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3ir6 s THR 639 N -0.88 3.05 0.00 -0.72 -4.23 -1.26 -4.74 115.64 106.86 3ir6 s THR 639 Ca 0.35 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 3ir6 s THR 639 Cb 0.14 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3ir6 s THR 639 CO -0.13 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 3ir6 n GLY 640 N -1.35 0.79 3.83 3.99 0.00 -1.26 -4.88 105.19 106.31 3ir6 n GLY 640 Ca -0.01 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.51 3ir6 n GLY 640 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ir6 s HIS 641 N -1.15 3.24 0.48 1.61 5.65 -1.26 -4.59 115.29 119.27 3ir6 s HIS 641 Ca 0.00 1.45 0.13 0.00 0.25 0.00 0.00 55.06 56.89 3ir6 s HIS 641 Cb 0.00 -2.88 1.13 0.00 -1.18 0.00 0.00 32.58 29.65 3ir6 s HIS 641 CO 0.00 -0.87 2.11 -0.07 -0.65 0.00 0.00 174.74 175.26 3ir6 h LEU 642 N 0.20 0.13 -2.09 8.88 3.38 -1.96 0.34 115.31 124.20 3ir6 h LEU 642 Ca -0.46 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3ir6 h LEU 642 Cb 1.20 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ir6 h LEU 642 CO 0.59 0.11 -0.03 -0.29 0.09 0.00 0.00 178.44 178.91 3ir6 h ILE 643 N 0.16 0.14 -0.32 1.22 2.10 -1.95 -2.42 117.51 116.44 3ir6 h ILE 643 Ca 0.04 -0.35 -0.13 0.00 1.08 0.00 0.00 64.86 65.49 3ir6 h ILE 643 Cb 0.01 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.04 3ir6 h ILE 643 CO -0.01 0.03 -0.32 0.44 -1.08 0.00 0.00 178.15 177.21 3ir6 h ASP 644 N 0.00 0.84 -0.04 2.19 3.45 -1.28 -2.24 116.42 119.35 3ir6 h ASP 644 Ca -0.00 -0.47 -0.04 0.00 0.43 0.00 0.00 57.03 56.95 3ir6 h ASP 644 Cb 0.30 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 3ir6 h ASP 644 CO 0.00 1.14 -0.06 -0.26 -1.57 0.00 0.00 179.24 178.49 3ir6 h PHE 645 N 0.56 0.26 0.02 4.55 -1.00 -1.43 -1.84 116.94 118.06 3ir6 h PHE 645 Ca 0.05 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 3ir6 h PHE 645 Cb 0.90 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.38 3ir6 h PHE 645 CO 0.07 0.32 -0.01 -0.97 -1.61 0.00 0.00 178.31 176.11 3ir6 h ASN 646 N 0.25 -0.02 -0.86 2.17 -1.24 -1.35 0.04 115.58 114.57 3ir6 h ASN 646 Ca 0.05 -0.42 0.14 0.00 0.71 0.00 0.00 56.30 56.78 3ir6 h ASN 646 Cb 0.27 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.26 3ir6 h ASN 646 CO 0.01 0.41 0.56 0.58 -1.29 0.00 0.00 177.43 177.70 3ir6 h VAL 647 N -0.45 0.85 -0.05 2.57 2.07 -1.07 0.16 116.25 120.32 3ir6 h VAL 647 Ca -0.00 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3ir6 h VAL 647 Cb 0.44 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3ir6 h VAL 647 CO 0.00 0.12 -0.05 0.03 0.02 0.00 0.00 177.57 177.70 3ir6 h ARG 648 N 0.66 0.12 -0.81 1.57 3.08 -1.24 -2.48 114.38 115.28 3ir6 h ARG 648 Ca 0.42 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.53 3ir6 h ARG 648 Cb 0.69 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.69 3ir6 h ARG 648 CO -0.18 0.57 0.53 0.00 -1.07 0.00 0.00 179.97 179.82 3ir6 h ALA 649 N 0.55 1.87 -0.05 0.04 0.00 0.49 -0.96 119.26 121.19 3ir6 h ALA 649 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ir6 h ALA 649 Cb 0.55 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ir6 h ALA 649 CO 0.01 -0.06 -0.02 0.93 0.00 0.00 0.00 179.25 180.12 3ir6 h GLU 650 N 0.64 0.09 0.00 0.00 5.08 -0.61 -0.02 114.58 119.76 3ir6 h GLU 650 Ca 0.39 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3ir6 h GLU 650 Cb 0.62 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3ir6 h GLU 650 CO -0.15 0.45 0.00 2.89 -1.00 0.00 0.00 179.01 181.20 3ir6 n ARG 651 N -4.83 0.48 -0.05 2.33 1.85 -0.93 -2.32 116.66 113.19 3ir6 n ARG 651 Ca -0.07 0.04 0.11 0.00 -1.00 0.00 0.00 57.85 56.93 3ir6 n ARG 651 Cb 0.23 -1.50 0.12 0.00 -1.05 0.00 0.00 32.46 30.26 3ir6 n ARG 651 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 3ir6 n MET 652 N -1.21 2.22 -0.84 2.89 2.81 -0.41 -4.31 117.12 118.27 3ir6 n MET 652 Ca 0.14 -1.95 0.00 0.00 -1.81 0.00 0.00 57.70 54.08 3ir6 n MET 652 Cb 0.17 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 3ir6 n MET 652 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ir6 n GLY 653 N 1.31 0.60 0.07 3.03 0.00 -0.98 -2.84 105.19 106.38 3ir6 n GLY 653 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3ir6 n GLY 653 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ir6 h TRP 654 N 0.00 -0.01 -2.71 1.61 6.55 -1.20 0.49 115.95 120.68 3ir6 h TRP 654 Ca 0.00 -0.00 -0.61 0.00 0.95 0.00 0.00 58.89 59.23 3ir6 h TRP 654 Cb 0.00 0.00 -0.13 0.00 -0.86 0.00 0.00 29.16 28.17 3ir6 h TRP 654 CO 0.00 0.79 -0.71 -0.51 -1.05 0.00 0.00 178.44 176.96 3ir6 s LEU 655 N -8.32 2.94 0.75 -4.49 1.43 -1.00 -4.07 118.68 105.92 3ir6 s LEU 655 Ca -0.15 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 3ir6 s LEU 655 Cb -0.02 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.68 3ir6 s LEU 655 CO 0.56 0.07 1.13 -2.16 0.23 0.00 0.00 176.35 176.18 3ir6 s PRO 656 N -3.12 2.45 0.11 1.29 0.04 -1.26 -4.30 135.00 130.21 3ir6 s PRO 656 Ca 0.27 0.28 0.09 0.00 0.04 0.00 0.00 61.00 61.68 3ir6 s PRO 656 Cb -0.08 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3ir6 s PRO 656 CO 0.16 -1.28 -0.23 -1.12 0.04 0.00 0.00 177.00 174.56 3ir6 s SER 657 N -4.46 2.83 -0.30 6.66 0.01 -1.26 -4.84 113.70 112.33 3ir6 s SER 657 Ca 0.60 -0.71 -0.09 0.00 1.31 0.00 0.00 55.95 57.06 3ir6 s SER 657 Cb -0.11 -0.17 0.18 0.00 0.21 0.00 0.00 66.02 66.13 3ir6 s SER 657 CO 0.50 0.11 0.91 0.00 0.41 0.00 0.00 173.24 175.16 3ir6 s ALA 658 N -1.12 -3.09 0.74 1.44 0.00 -1.26 -3.96 121.76 114.51 3ir6 s ALA 658 Ca 0.09 1.54 -0.14 0.00 0.00 0.00 0.00 51.96 53.46 3ir6 s ALA 658 Cb -0.10 -2.42 0.04 0.00 0.00 0.00 0.00 23.12 20.65 3ir6 s ALA 658 CO 0.05 -1.45 1.17 -2.14 0.00 0.00 0.00 175.76 173.39 3ir6 s PRO 659 N 2.92 2.15 -0.03 0.00 0.02 -1.26 -4.89 135.00 133.91 3ir6 s PRO 659 Ca 0.07 1.63 -0.03 0.00 0.02 0.00 0.00 61.00 62.69 3ir6 s PRO 659 Cb -0.11 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 3ir6 s PRO 659 CO -0.15 -1.80 0.23 1.96 -0.33 0.00 0.00 177.00 176.91 3ir6 h GLN 660 N -0.46 -0.10 -6.09 5.54 4.20 -1.88 -3.39 115.11 112.93 3ir6 h GLN 660 Ca -0.47 0.01 -0.57 0.00 0.06 0.00 0.00 58.65 57.68 3ir6 h GLN 660 Cb 1.28 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 29.04 3ir6 h GLN 660 CO 0.50 -0.07 -0.51 -0.51 -0.67 0.00 0.00 178.83 177.57 3ir6 s LEU 661 N -5.89 4.12 0.00 1.46 1.43 -1.26 0.18 118.68 118.72 3ir6 s LEU 661 Ca -0.01 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3ir6 s LEU 661 Cb 0.00 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.51 3ir6 s LEU 661 CO 0.04 0.08 0.71 0.61 0.23 0.00 0.00 176.35 178.03 3ir6 n GLY 662 N -0.33 0.03 2.96 -3.19 0.00 0.63 -4.32 105.19 100.97 3ir6 n GLY 662 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 3ir6 n GLY 662 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ir6 s THR 663 N -1.59 -0.03 -0.70 2.61 -1.32 -1.26 -4.94 115.64 108.42 3ir6 s THR 663 Ca 0.00 0.10 -0.36 0.00 -1.21 0.00 0.00 61.69 60.22 3ir6 s THR 663 Cb 0.00 -0.22 -0.19 0.00 -1.51 0.00 0.00 72.50 70.58 3ir6 s THR 663 CO 0.00 0.04 2.28 -3.20 -2.21 0.00 0.00 174.62 171.53 3ir6 n ASN 664 N 3.66 0.51 0.11 8.08 2.85 -1.24 -4.75 115.26 124.48 3ir6 n ASN 664 Ca -0.20 0.42 0.06 0.00 -0.11 0.00 0.00 54.58 54.75 3ir6 n ASN 664 Cb 0.55 -0.86 0.33 0.00 1.24 0.00 0.00 39.78 41.04 3ir6 n ASN 664 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3ir6 n PRO 665 N 7.56 0.08 0.12 1.20 -0.04 -1.26 -1.08 135.00 141.57 3ir6 n PRO 665 Ca 0.57 0.55 0.13 0.00 -0.04 0.00 0.00 63.50 64.71 3ir6 n PRO 665 Cb -0.01 -1.86 0.33 0.00 -0.04 0.00 0.00 33.50 31.92 3ir6 n PRO 665 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3ir6 h LEU 666 N 0.00 0.00 -0.73 1.53 3.38 -1.85 -3.04 115.31 114.60 3ir6 h LEU 666 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ir6 h LEU 666 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ir6 h LEU 666 CO 0.00 0.01 -0.59 0.35 0.09 0.00 0.00 178.44 178.30 3ir6 n THR 667 N -2.43 0.00 -0.15 0.22 -2.24 -0.24 -4.42 114.28 105.02 3ir6 n THR 667 Ca 0.05 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 3ir6 n THR 667 Cb 0.45 1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 3ir6 n THR 667 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3ir6 h ILE 668 N 1.78 1.27 -0.15 2.28 2.04 -1.63 -2.91 117.51 120.18 3ir6 h ILE 668 Ca 0.00 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 3ir6 h ILE 668 Cb 0.68 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3ir6 h ILE 668 CO 0.00 0.49 0.08 0.00 0.00 0.00 0.00 178.15 178.71 3ir6 h ALA 669 N 0.85 0.20 -0.11 1.87 0.00 -1.78 -2.24 119.26 118.04 3ir6 h ALA 669 Ca 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ir6 h ALA 669 Cb 0.84 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ir6 h ALA 669 CO 0.07 -0.25 0.08 0.78 0.00 0.00 0.00 179.25 179.93 3ir6 h GLY 670 N 0.13 0.08 2.00 0.00 0.00 -1.80 -2.16 103.07 101.32 3ir6 h GLY 670 Ca 0.05 -0.03 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 3ir6 h GLY 670 CO -0.01 0.03 -0.81 0.83 0.00 0.00 0.00 176.54 176.58 3ir6 h GLU 671 N 0.08 0.00 -0.40 4.80 5.08 -1.29 -3.27 114.58 119.57 3ir6 h GLU 671 Ca 0.05 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 3ir6 h GLU 671 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3ir6 h GLU 671 CO -0.01 0.81 -0.33 0.00 -1.00 0.00 0.00 179.01 178.48 3ir6 h ALA 672 N 1.19 0.58 -0.25 3.43 0.00 -0.80 -2.89 119.26 120.53 3ir6 h ALA 672 Ca -0.01 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.50 3ir6 h ALA 672 Cb 1.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3ir6 h ALA 672 CO 0.10 0.65 0.17 1.49 0.00 0.00 0.00 179.25 181.67 3ir6 h GLU 673 N 0.76 0.21 0.00 0.00 4.81 -1.54 0.27 114.58 119.09 3ir6 h GLU 673 Ca 0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3ir6 h GLU 673 Cb 0.92 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3ir6 h GLU 673 CO 0.09 0.14 -0.12 1.63 -0.73 0.00 0.00 179.01 180.02 3ir6 n LYS 674 N -4.50 0.00 0.01 1.92 5.02 -1.13 -2.87 118.16 116.61 3ir6 n LYS 674 Ca 0.02 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.42 3ir6 n LYS 674 Cb 0.17 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.73 3ir6 n LYS 674 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ir6 n ALA 675 N -1.50 3.96 -0.99 7.82 0.00 0.88 -4.95 120.51 125.72 3ir6 n ALA 675 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3ir6 n ALA 675 Cb 0.34 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3ir6 n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ir6 n GLY 676 N 1.47 0.46 3.27 0.00 0.00 -0.71 -5.03 105.19 104.65 3ir6 n GLY 676 Ca 0.04 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 3ir6 n GLY 676 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ir6 s MET 677 N -0.68 1.12 0.92 1.61 0.23 -1.11 -5.05 119.30 116.34 3ir6 s MET 677 Ca 0.00 -1.48 -0.12 0.00 -1.03 0.00 0.00 55.69 53.06 3ir6 s MET 677 Cb 0.00 -0.71 0.14 0.00 -1.53 0.00 0.00 34.83 32.74 3ir6 s MET 677 CO 0.00 0.09 1.09 0.54 -2.03 0.00 0.00 175.02 174.71 3ir6 s ASN 678 N -3.20 3.26 0.20 -1.18 2.20 -1.26 -3.91 114.94 111.04 3ir6 s ASN 678 Ca 0.18 1.45 -0.10 0.00 -0.94 0.00 0.00 52.86 53.45 3ir6 s ASN 678 Cb 0.02 -2.12 0.13 0.00 -2.00 0.00 0.00 41.25 37.28 3ir6 s ASN 678 CO 0.02 -2.77 1.80 1.55 -2.94 0.00 0.00 177.10 174.76 3ir6 h PRO 679 N -1.64 1.03 0.61 3.55 0.13 -1.90 -1.22 132.00 132.55 3ir6 h PRO 679 Ca -0.50 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 64.46 3ir6 h PRO 679 Cb 1.29 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3ir6 h PRO 679 CO 0.55 0.79 -0.40 0.28 -0.23 0.00 0.00 178.00 178.99 3ir6 h VAL 680 N 1.00 0.00 -0.15 1.56 2.07 -1.92 -1.02 116.25 117.78 3ir6 h VAL 680 Ca 0.25 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.72 3ir6 h VAL 680 Cb 0.09 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 3ir6 h VAL 680 CO -0.03 0.00 -0.12 0.44 0.02 0.00 0.00 177.57 177.88 3ir6 h ASP 681 N -0.95 0.23 0.14 0.57 3.32 -1.95 -2.18 116.42 115.59 3ir6 h ASP 681 Ca -0.08 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 3ir6 h ASP 681 Cb 0.77 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3ir6 h ASP 681 CO 0.06 0.37 -0.26 0.22 -1.72 0.00 0.00 179.24 177.92 3ir6 h TYR 682 N 0.23 0.22 -0.18 4.55 3.20 -1.08 -2.10 116.97 121.80 3ir6 h TYR 682 Ca 0.05 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 3ir6 h TYR 682 Cb 0.36 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 3ir6 h TYR 682 CO 0.01 0.45 -0.26 1.15 -1.64 0.00 0.00 178.16 177.87 3ir6 h THR 683 N 0.18 1.34 -0.89 1.81 2.02 -0.53 -2.15 112.91 114.69 3ir6 h THR 683 Ca 0.03 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 3ir6 h THR 683 Cb 0.56 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 3ir6 h THR 683 CO 0.04 0.45 0.50 0.58 0.37 0.00 0.00 175.52 177.45 3ir6 h VAL 684 N 0.15 1.26 0.31 3.16 2.07 -1.35 0.31 116.25 122.14 3ir6 h VAL 684 Ca 0.02 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 3ir6 h VAL 684 Cb 0.83 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3ir6 h VAL 684 CO 0.06 0.28 -0.15 0.50 0.02 0.00 0.00 177.57 178.29 3ir6 h LYS 685 N 1.24 -0.40 -0.38 1.57 3.64 -1.35 -1.49 116.57 119.40 3ir6 h LYS 685 Ca 0.31 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 3ir6 h LYS 685 Cb 0.01 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3ir6 h LYS 685 CO -0.05 -0.25 0.21 0.77 -2.27 0.00 0.00 179.45 177.86 3ir6 h SER 686 N -0.44 0.33 -0.93 4.20 0.02 -1.02 -0.04 113.55 115.67 3ir6 h SER 686 Ca -0.04 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.03 3ir6 h SER 686 Cb 0.34 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.74 3ir6 h SER 686 CO 0.07 0.24 0.56 -0.07 -1.14 0.00 0.00 176.83 176.48 3ir6 h LEU 687 N 0.43 0.81 0.12 5.07 3.38 -0.19 0.40 115.31 125.33 3ir6 h LEU 687 Ca 0.16 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3ir6 h LEU 687 Cb 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3ir6 h LEU 687 CO -0.09 0.44 -0.06 0.11 0.09 0.00 0.00 178.44 178.93 3ir6 h LYS 688 N 0.90 -0.15 0.00 1.13 1.57 -0.75 -3.20 116.57 116.06 3ir6 h LYS 688 Ca 0.46 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3ir6 h LYS 688 Cb 0.45 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3ir6 h LYS 688 CO -0.26 0.30 0.00 0.93 -0.57 0.00 0.00 179.45 179.85 3ir6 h GLU 689 N -0.71 0.00 0.00 3.15 5.08 -0.51 -3.45 114.58 118.14 3ir6 h GLU 689 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ir6 h GLU 689 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3ir6 h GLU 689 CO 0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 3ir6 n GLY 690 N -0.89 0.77 0.07 -3.84 0.00 0.11 -4.96 105.19 96.45 3ir6 n GLY 690 Ca -0.02 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3ir6 n GLY 690 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ir6 h SER 691 N 0.00 -0.04 -3.32 1.61 0.02 -0.88 -3.42 113.55 107.51 3ir6 h SER 691 Ca 0.00 -0.35 -0.66 0.00 -0.84 0.00 0.00 61.79 59.95 3ir6 h SER 691 Cb 0.00 0.01 -0.27 0.00 0.14 0.00 0.00 62.40 62.28 3ir6 h SER 691 CO 0.00 0.33 -0.75 -0.63 -1.14 0.00 0.00 176.83 174.64 3ir6 s ILE 692 N -4.69 3.16 0.27 3.27 -1.09 -1.16 -4.98 121.20 115.98 3ir6 s ILE 692 Ca -0.15 -0.60 0.10 0.00 -2.23 0.00 0.00 60.65 57.77 3ir6 s ILE 692 Cb 0.03 -2.37 -0.05 0.00 -1.58 0.00 0.00 42.46 38.50 3ir6 s ILE 692 CO 0.65 0.50 -0.06 -0.13 -1.23 0.00 0.00 174.94 174.67 3ir6 s ARG 693 N 0.70 2.11 0.08 2.79 0.52 -1.26 -3.87 118.95 120.01 3ir6 s ARG 693 Ca -0.05 -1.52 -0.30 0.00 -0.52 0.00 0.00 55.73 53.33 3ir6 s ARG 693 Cb -0.15 -2.04 -0.06 0.00 0.52 0.00 0.00 34.95 33.22 3ir6 s ARG 693 CO 0.02 0.35 1.18 -0.06 0.02 0.00 0.00 175.30 176.81 3ir6 s PHE 694 N -2.38 3.46 0.43 -0.53 0.40 -1.26 -0.27 117.98 117.83 3ir6 s PHE 694 Ca 0.31 1.36 0.18 0.00 -0.60 0.00 0.00 56.93 58.17 3ir6 s PHE 694 Cb -0.06 -3.39 1.10 0.00 0.51 0.00 0.00 43.02 41.17 3ir6 s PHE 694 CO 0.18 -1.15 1.88 0.00 0.70 0.00 0.00 175.22 176.83 3ir6 h ALA 695 N 6.52 2.21 -1.04 5.36 0.00 -0.46 -1.58 119.26 130.26 3ir6 h ALA 695 Ca -0.42 0.01 0.27 0.00 0.00 0.00 0.00 54.91 54.77 3ir6 h ALA 695 Cb 1.21 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 3ir6 h ALA 695 CO 0.80 -0.46 0.69 0.00 0.00 0.00 0.00 179.25 180.27 3ir6 h ALA 696 N 1.62 2.36 0.00 0.00 0.00 -1.76 -0.07 119.26 121.41 3ir6 h ALA 696 Ca 0.43 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 3ir6 h ALA 696 Cb 1.07 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ir6 h ALA 696 CO -0.14 -0.75 -0.10 0.93 0.00 0.00 0.00 179.25 179.19 3ir6 h GLU 697 N 0.33 0.00 -1.95 0.00 5.08 -1.51 -3.35 114.58 113.18 3ir6 h GLU 697 Ca 0.58 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.42 3ir6 h GLU 697 Cb 1.59 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.49 3ir6 h GLU 697 CO -0.25 0.10 -0.96 1.04 -1.00 0.00 0.00 179.01 177.95 3ir6 n GLN 698 N -3.43 0.46 0.00 2.33 6.02 -0.04 -2.73 117.38 119.99 3ir6 n GLN 698 Ca -0.01 -3.00 0.10 0.00 -0.01 0.00 0.00 57.00 54.08 3ir6 n GLN 698 Cb 0.26 -1.46 0.49 0.00 1.02 0.00 0.00 30.24 30.56 3ir6 n GLN 698 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3ir6 n PRO 699 N 2.20 0.18 0.00 -1.09 -0.04 -1.20 -3.34 135.00 131.70 3ir6 n PRO 699 Ca 0.24 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3ir6 n PRO 699 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3ir6 n PRO 699 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3ir6 n GLU 700 N -1.37 1.10 0.20 0.54 1.02 -1.26 -4.40 120.64 116.47 3ir6 n GLU 700 Ca 0.08 -1.01 0.15 0.00 -0.02 0.00 0.00 57.16 56.36 3ir6 n GLU 700 Cb 0.19 -0.98 0.77 0.00 -0.02 0.00 0.00 31.44 31.41 3ir6 n GLU 700 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 3ir6 h ASN 701 N 0.00 0.00 0.00 1.62 -1.07 -1.95 -3.46 115.58 110.72 3ir6 h ASN 701 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3ir6 h ASN 701 Cb 0.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.54 3ir6 h ASN 701 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 3ir6 n GLY 702 N -1.47 1.47 0.00 9.14 0.00 -1.26 -4.94 105.19 108.14 3ir6 n GLY 702 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ir6 n GLY 702 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ir6 n LYS 703 N 0.00 0.23 -0.50 1.61 5.02 -1.26 -4.80 118.16 118.47 3ir6 n LYS 703 Ca 0.00 -0.46 0.06 0.00 -2.02 0.00 0.00 58.31 55.89 3ir6 n LYS 703 Cb 0.00 -0.68 0.24 0.00 -0.02 0.00 0.00 35.03 34.57 3ir6 n LYS 703 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ir6 n ASN 704 N -0.07 3.45 -4.48 4.39 5.03 -1.26 -4.92 115.26 117.39 3ir6 n ASN 704 Ca 0.00 -3.19 -0.29 0.00 0.87 0.00 0.00 54.58 51.96 3ir6 n ASN 704 Cb 0.26 -0.56 -0.11 0.00 -1.02 0.00 0.00 39.78 38.35 3ir6 n ASN 704 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 3ir6 s HIS 705 N -2.93 2.51 0.52 3.10 -3.43 -1.26 -4.35 115.29 109.45 3ir6 s HIS 705 Ca 0.42 -0.27 -0.21 0.00 -0.80 0.00 0.00 55.06 54.20 3ir6 s HIS 705 Cb 0.35 -1.33 -0.06 0.00 -1.43 0.00 0.00 32.58 30.12 3ir6 s HIS 705 CO 0.06 0.39 1.17 -1.25 -2.00 0.00 0.00 174.74 173.12 3ir6 s PRO 706 N -2.19 3.42 -0.05 -0.38 0.04 -1.26 -4.88 135.00 129.70 3ir6 s PRO 706 Ca 0.18 1.76 0.04 0.00 0.04 0.00 0.00 61.00 63.02 3ir6 s PRO 706 Cb -0.10 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 3ir6 s PRO 706 CO 0.10 -0.83 0.01 0.54 0.04 0.00 0.00 177.00 176.86 3ir6 n ARG 707 N -1.04 2.98 -4.68 4.56 1.74 0.56 -4.07 116.66 116.71 3ir6 n ARG 707 Ca 0.10 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 3ir6 n ARG 707 Cb 0.49 -1.12 -0.17 0.00 -1.02 0.00 0.00 32.46 30.64 3ir6 n ARG 707 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3ir6 s ASN 708 N -3.67 2.62 -0.07 0.55 0.02 -0.95 0.19 114.94 113.63 3ir6 s ASN 708 Ca -0.03 -0.47 0.02 0.00 -1.02 0.00 0.00 52.86 51.36 3ir6 s ASN 708 Cb 0.01 -1.19 0.01 0.00 0.02 0.00 0.00 41.25 40.11 3ir6 s ASN 708 CO 0.20 0.06 -0.14 -0.22 0.02 0.00 0.00 177.10 177.02 3ir6 s LEU 709 N 0.77 1.68 -0.14 0.60 2.96 -0.57 -0.61 118.68 123.37 3ir6 s LEU 709 Ca -0.11 -0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 3ir6 s LEU 709 Cb -0.16 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 3ir6 s LEU 709 CO 0.01 0.04 0.03 -0.36 -1.32 0.00 0.00 176.35 174.75 3ir6 s PHE 710 N 0.69 3.21 -0.10 5.38 0.08 0.50 -1.13 117.98 126.60 3ir6 s PHE 710 Ca -0.14 0.07 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 3ir6 s PHE 710 Cb -0.16 -1.96 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3ir6 s PHE 710 CO 0.03 0.26 -0.05 0.42 -0.10 0.00 0.00 175.22 175.78 3ir6 s ILE 711 N -0.12 0.86 0.01 0.64 1.01 -0.12 -0.71 121.20 122.76 3ir6 s ILE 711 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 3ir6 s ILE 711 Cb -0.12 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3ir6 s ILE 711 CO 0.02 0.33 0.02 -1.66 0.00 0.00 0.00 174.94 173.65 3ir6 s TRP 712 N 1.78 0.14 -1.66 3.97 -2.14 -1.15 -1.08 118.94 118.80 3ir6 s TRP 712 Ca 0.05 -0.29 -0.02 0.00 2.66 0.00 0.00 56.10 58.51 3ir6 s TRP 712 Cb -0.13 -0.11 0.00 0.00 -3.10 0.00 0.00 33.47 30.14 3ir6 s TRP 712 CO -0.07 -0.16 0.20 0.54 -2.66 0.00 0.00 176.95 174.79 3ir6 n ARG 713 N 1.95 -2.68 -3.60 3.25 1.74 -1.26 -4.37 116.66 111.69 3ir6 n ARG 713 Ca -0.21 0.95 -0.12 0.00 -0.77 0.00 0.00 57.85 57.71 3ir6 n ARG 713 Cb 0.56 -5.64 -0.05 0.00 -1.02 0.00 0.00 32.46 26.32 3ir6 n ARG 713 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ir6 s SER 714 N -2.30 -0.33 -0.12 0.55 0.15 -1.26 -4.11 113.70 106.27 3ir6 s SER 714 Ca 0.10 -0.12 0.18 0.00 0.70 0.00 0.00 55.95 56.81 3ir6 s SER 714 Cb -0.04 0.49 0.43 0.00 -1.71 0.00 0.00 66.02 65.18 3ir6 s SER 714 CO 0.12 -0.81 1.19 -3.20 1.20 0.00 0.00 173.24 171.75 3ir6 n ASN 715 N 0.01 1.56 -0.05 5.45 5.15 -1.26 -4.96 115.26 121.15 3ir6 n ASN 715 Ca -0.17 -2.97 0.01 0.00 -0.60 0.00 0.00 54.58 50.86 3ir6 n ASN 715 Cb 0.62 -0.42 0.03 0.00 -0.53 0.00 0.00 39.78 39.49 3ir6 n ASN 715 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3ir6 n LEU 716 N -0.36 -0.04 -3.87 1.20 7.94 -1.26 -1.48 117.00 119.14 3ir6 n LEU 716 Ca 0.14 0.25 -0.42 0.00 -1.11 0.00 0.00 56.01 54.87 3ir6 n LEU 716 Cb 0.91 -0.08 0.01 0.00 0.53 0.00 0.00 43.42 44.79 3ir6 n LEU 716 CO -0.01 -0.25 1.43 0.18 -1.11 0.00 0.00 177.39 177.63 3ir6 n LEU 717 N -4.13 6.79 0.00 -1.96 4.77 -1.26 -1.05 117.00 120.16 3ir6 n LEU 717 Ca 0.03 -5.13 0.00 0.00 -0.03 0.00 0.00 56.01 50.87 3ir6 n LEU 717 Cb 0.09 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 3ir6 n LEU 717 CO -0.02 1.74 0.00 0.61 -1.33 0.00 0.00 177.39 178.40 3ir6 n GLY 718 N 1.30 -0.00 0.00 -0.72 0.00 -0.55 -3.31 105.19 101.92 3ir6 n GLY 718 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3ir6 n GLY 718 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ir6 n SER 719 N 0.00 0.00 0.27 1.61 2.88 -0.97 -4.22 113.62 113.20 3ir6 n SER 719 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 3ir6 n SER 719 Cb 0.00 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.29 3ir6 n SER 719 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3ir6 h SER 720 N 0.00 0.00 -0.47 -3.46 4.64 -1.77 -3.41 113.55 109.08 3ir6 h SER 720 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 3ir6 h SER 720 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3ir6 h SER 720 CO 0.00 0.00 0.61 -0.83 -0.87 0.00 0.00 176.83 175.74 3ir6 s GLY 721 N -3.74 -0.22 0.37 -0.77 0.00 -0.22 -4.94 107.32 97.81 3ir6 s GLY 721 Ca -0.03 -1.61 -0.28 0.00 0.00 0.00 0.00 44.72 42.80 3ir6 s GLY 721 CO 0.28 3.77 1.44 0.54 0.00 0.00 0.00 173.10 179.13 3ir6 s LYS 722 N 7.39 4.14 -0.38 2.90 1.02 -1.26 -3.10 119.74 130.45 3ir6 s LYS 722 Ca 0.75 2.48 -0.00 0.00 0.02 0.00 0.00 55.97 59.22 3ir6 s LYS 722 Cb -0.05 -2.97 -0.00 0.00 -0.52 0.00 0.00 37.83 34.28 3ir6 s LYS 722 CO 0.09 -0.47 0.32 0.41 -0.92 0.00 0.00 175.35 174.77 3ir6 n GLY 723 N 0.54 0.20 0.23 -3.33 0.00 -1.16 -4.70 105.19 96.97 3ir6 n GLY 723 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 3ir6 n GLY 723 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ir6 h HIS 724 N -0.56 0.45 -0.23 1.61 2.76 -1.08 -1.11 115.15 116.99 3ir6 h HIS 724 Ca -0.19 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 57.88 3ir6 h HIS 724 Cb 1.11 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 3ir6 h HIS 724 CO 0.13 0.16 -0.39 0.93 -1.30 0.00 0.00 177.93 177.46 3ir6 h GLU 725 N 0.46 0.53 -0.42 5.26 4.39 -1.82 -0.18 114.58 122.80 3ir6 h GLU 725 Ca 0.29 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 3ir6 h GLU 725 Cb 0.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3ir6 h GLU 725 CO -0.25 0.84 -0.06 0.74 -1.16 0.00 0.00 179.01 179.11 3ir6 h PHE 726 N 0.44 0.86 -0.55 4.33 0.04 -1.80 -1.17 116.94 119.09 3ir6 h PHE 726 Ca 0.04 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.65 3ir6 h PHE 726 Cb 0.88 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.78 3ir6 h PHE 726 CO 0.03 0.87 0.36 1.98 -0.60 0.00 0.00 178.31 180.95 3ir6 h MET 727 N 0.60 0.71 -0.16 1.51 4.05 -0.95 -1.16 114.93 119.53 3ir6 h MET 727 Ca 0.11 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 3ir6 h MET 727 Cb 0.57 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 3ir6 h MET 727 CO 0.03 0.47 -0.29 -0.07 0.23 0.00 0.00 176.91 177.28 3ir6 h LEU 728 N 0.73 0.31 0.00 3.39 4.07 -0.85 -1.60 115.31 121.36 3ir6 h LEU 728 Ca 0.21 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 3ir6 h LEU 728 Cb -0.07 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.59 3ir6 h LEU 728 CO -0.05 0.60 -0.00 0.50 -1.08 0.00 0.00 178.44 178.40 3ir6 h LYS 729 N 0.27 -0.00 0.05 1.13 3.64 -0.75 -1.33 116.57 119.59 3ir6 h LYS 729 Ca 0.04 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.09 3ir6 h LYS 729 Cb 0.65 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 3ir6 h LYS 729 CO 0.05 0.91 -1.85 0.66 -2.27 0.00 0.00 179.45 176.94 3ir6 n TYR 730 N -4.64 1.09 0.03 1.91 4.02 -0.48 -2.50 117.16 116.59 3ir6 n TYR 730 Ca -0.09 0.31 -0.13 0.00 -0.01 0.00 0.00 57.90 57.98 3ir6 n TYR 730 Cb 0.44 -1.17 -0.14 0.00 -0.02 0.00 0.00 39.34 38.45 3ir6 n TYR 730 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3ir6 h LEU 731 N 0.03 0.21 0.00 7.72 3.38 -1.45 -2.28 115.31 122.92 3ir6 h LEU 731 Ca -0.35 -0.32 -0.33 0.00 0.09 0.00 0.00 57.88 56.97 3ir6 h LEU 731 Cb 2.03 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 42.65 3ir6 h LEU 731 CO 0.08 1.27 -2.23 0.18 0.09 0.00 0.00 178.44 177.83 3ir6 n LEU 732 N -3.31 2.64 -0.17 1.67 4.32 -1.08 -2.13 117.00 118.94 3ir6 n LEU 732 Ca -0.15 -0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 3ir6 n LEU 732 Cb 1.03 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 3ir6 n LEU 732 CO 0.47 0.82 0.00 0.61 -1.22 0.00 0.00 177.39 178.07 3ir6 n GLY 733 N 2.40 0.80 3.86 -0.72 0.00 -0.55 -4.35 105.19 106.62 3ir6 n GLY 733 Ca -0.37 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 3ir6 n GLY 733 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ir6 s THR 734 N -2.35 1.37 0.81 2.61 -4.23 -0.91 -4.33 115.64 108.61 3ir6 s THR 734 Ca 0.00 -1.70 -0.13 0.00 -1.18 0.00 0.00 61.69 58.68 3ir6 s THR 734 Cb 0.00 -2.07 0.08 0.00 1.34 0.00 0.00 72.50 71.85 3ir6 s THR 734 CO 0.00 0.00 1.19 -1.61 -0.54 0.00 0.00 174.62 173.66 3ir6 s GLU 735 N -4.14 1.66 0.26 3.99 2.02 -1.26 -4.38 118.70 116.86 3ir6 s GLU 735 Ca 0.20 1.70 -0.08 0.00 0.02 0.00 0.00 54.97 56.82 3ir6 s GLU 735 Cb -0.01 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.42 3ir6 s GLU 735 CO 0.13 -2.19 0.40 -3.38 0.02 0.00 0.00 175.26 170.24 3ir6 s HIS 736 N -2.22 0.71 -0.17 1.61 -3.43 -1.26 -4.72 115.29 105.80 3ir6 s HIS 736 Ca 0.72 -1.01 0.17 0.00 -0.80 0.00 0.00 55.06 54.14 3ir6 s HIS 736 Cb -0.27 -0.04 0.44 0.00 -1.43 0.00 0.00 32.58 31.28 3ir6 s HIS 736 CO 0.51 -0.96 1.32 0.41 -2.00 0.00 0.00 174.74 174.03 3ir6 n GLY 737 N -0.40 4.46 3.70 -1.38 0.00 -1.26 -5.03 105.19 105.28 3ir6 n GLY 737 Ca -0.00 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 3ir6 n GLY 737 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ir6 n ILE 738 N -0.92 1.04 -0.06 -0.61 5.41 -1.25 -4.01 119.36 118.96 3ir6 n ILE 738 Ca 0.21 -0.26 -0.05 0.00 1.00 0.00 0.00 62.75 63.65 3ir6 n ILE 738 Cb 0.81 -1.67 -0.11 0.00 -0.71 0.00 0.00 39.64 37.96 3ir6 n ILE 738 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ir6 n GLN 739 N 1.99 1.66 -2.29 0.38 1.13 0.11 -4.92 117.38 115.43 3ir6 n GLN 739 Ca 0.10 -0.02 -0.26 0.00 -1.94 0.00 0.00 57.00 54.88 3ir6 n GLN 739 Cb 0.34 -1.34 0.11 0.00 0.11 0.00 0.00 30.24 29.46 3ir6 n GLN 739 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3ir6 s GLY 740 N -4.51 1.74 0.17 1.08 0.00 -0.65 -4.99 107.32 100.17 3ir6 s GLY 740 Ca -0.06 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.39 3ir6 s GLY 740 CO 0.55 -0.75 0.31 0.54 0.00 0.00 0.00 173.10 173.75 3ir6 s LYS 741 N -5.34 3.44 0.60 2.90 1.02 -1.26 -5.07 119.74 116.03 3ir6 s LYS 741 Ca 0.65 -0.63 -0.02 0.00 0.02 0.00 0.00 55.97 56.00 3ir6 s LYS 741 Cb -0.07 -2.94 0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3ir6 s LYS 741 CO 0.46 0.50 0.86 0.16 -0.92 0.00 0.00 175.35 176.41 3ir6 s ASP 742 N -3.40 5.17 0.39 2.83 1.47 -1.26 -4.78 116.67 117.09 3ir6 s ASP 742 Ca 0.35 0.23 0.24 0.00 1.18 0.00 0.00 52.55 54.55 3ir6 s ASP 742 Cb -0.11 -1.07 1.38 0.00 -0.34 0.00 0.00 42.92 42.78 3ir6 s ASP 742 CO 0.29 -1.27 1.59 -0.07 0.68 0.00 0.00 175.17 176.38 3ir6 h LEU 743 N -0.17 0.30 0.57 2.11 4.07 -1.50 0.79 115.31 121.47 3ir6 h LEU 743 Ca -0.43 0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.72 3ir6 h LEU 743 Cb 1.30 0.23 0.01 0.00 1.08 0.00 0.00 40.66 43.27 3ir6 h LEU 743 CO 0.56 -0.36 -0.27 1.23 -1.08 0.00 0.00 178.44 178.52 3ir6 h GLY 744 N 0.03 -0.79 2.00 0.83 0.00 -1.87 0.26 103.07 103.52 3ir6 h GLY 744 Ca 0.85 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 48.47 3ir6 h GLY 744 CO -0.66 -0.29 -0.04 1.46 0.00 0.00 0.00 176.54 177.01 3ir6 h GLN 745 N -1.03 0.00 0.10 4.80 4.20 -1.29 -2.54 115.11 119.34 3ir6 h GLN 745 Ca -0.08 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.31 3ir6 h GLN 745 Cb 0.65 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3ir6 h GLN 745 CO 0.13 0.04 -1.67 1.96 -0.67 0.00 0.00 178.83 178.61 3ir6 h GLN 746 N 0.00 0.21 0.00 1.46 4.20 -1.00 -3.48 115.11 116.50 3ir6 h GLN 746 Ca -0.00 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3ir6 h GLN 746 Cb 0.08 0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3ir6 h GLN 746 CO 0.01 1.03 0.00 0.41 -0.67 0.00 0.00 178.83 179.61 3ir6 n GLY 747 N 1.73 1.03 3.04 3.46 0.00 0.80 -5.08 105.19 110.17 3ir6 n GLY 747 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3ir6 n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir6 n GLY 748 N -0.76 -2.76 3.70 -0.02 0.00 -0.51 -4.89 105.19 99.95 3ir6 n GLY 748 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3ir6 n GLY 748 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ir6 s VAL 749 N -2.05 4.89 0.74 1.61 -7.23 -1.26 -4.81 120.40 112.29 3ir6 s VAL 749 Ca 0.38 1.90 -0.14 0.00 -1.81 0.00 0.00 61.98 62.32 3ir6 s VAL 749 Cb 0.05 -4.25 0.04 0.00 0.56 0.00 0.00 36.38 32.79 3ir6 s VAL 749 CO 0.61 0.14 1.15 -0.54 -0.31 0.00 0.00 175.10 176.15 3ir6 s LYS 750 N 1.23 2.22 0.89 4.82 3.01 -1.26 -4.90 119.74 125.76 3ir6 s LYS 750 Ca 0.47 1.52 -0.11 0.00 -1.01 0.00 0.00 55.97 56.85 3ir6 s LYS 750 Cb -0.20 -1.87 0.13 0.00 -1.01 0.00 0.00 37.83 34.89 3ir6 s LYS 750 CO 0.23 -1.73 1.10 -1.25 0.51 0.00 0.00 175.35 174.21 3ir6 s PRO 751 N -4.21 1.26 -0.30 -1.68 0.04 -1.26 -4.73 135.00 124.12 3ir6 s PRO 751 Ca 0.69 1.05 0.11 0.00 0.04 0.00 0.00 61.00 62.88 3ir6 s PRO 751 Cb -0.24 -1.79 0.64 0.00 0.04 0.00 0.00 34.50 33.15 3ir6 s PRO 751 CO 0.47 -2.30 1.66 -0.85 0.04 0.00 0.00 177.00 176.03 3ir6 n GLU 752 N -3.95 2.99 0.00 4.56 0.28 -1.26 -4.21 120.64 119.05 3ir6 n GLU 752 Ca 0.08 -3.06 0.00 0.00 -0.16 0.00 0.00 57.16 54.03 3ir6 n GLU 752 Cb 0.54 -2.05 0.00 0.00 1.43 0.00 0.00 31.44 31.36 3ir6 n GLU 752 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3ir6 n GLU 753 N -0.55 0.00 -3.96 3.44 -0.58 -1.26 -5.10 120.64 112.62 3ir6 n GLU 753 Ca 0.37 -0.07 -0.15 0.00 -0.42 0.00 0.00 57.16 56.89 3ir6 n GLU 753 Cb 1.24 -0.34 -0.15 0.00 -0.57 0.00 0.00 31.44 31.62 3ir6 n GLU 753 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ir6 s VAL 754 N 0.00 0.16 0.39 2.62 1.01 -1.26 -4.51 120.40 118.81 3ir6 s VAL 754 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 3ir6 s VAL 754 Cb 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 36.38 36.10 3ir6 s VAL 754 CO 0.00 0.08 1.40 -1.81 0.00 0.00 0.00 175.10 174.76 3ir6 s ASP 755 N 0.29 6.32 0.15 3.32 -0.00 -1.10 -4.51 116.67 121.14 3ir6 s ASP 755 Ca -0.03 2.87 0.06 0.00 -0.00 0.00 0.00 52.55 55.45 3ir6 s ASP 755 Cb -0.05 -2.66 -0.04 0.00 -0.00 0.00 0.00 42.92 40.18 3ir6 s ASP 755 CO -0.01 -0.87 0.03 0.86 -0.00 0.00 0.00 175.17 175.19 3ir6 s TRP 756 N -1.17 2.95 -0.28 4.23 -0.11 -1.26 -4.94 118.94 118.36 3ir6 s TRP 756 Ca 0.55 -0.08 -0.05 0.00 1.22 0.00 0.00 56.10 57.74 3ir6 s TRP 756 Cb -0.43 -1.44 0.15 0.00 -1.50 0.00 0.00 33.47 30.25 3ir6 s TRP 756 CO 0.57 0.51 0.57 1.14 -4.62 0.00 0.00 176.95 175.12 3ir6 s GLN 757 N -2.85 0.52 0.52 5.86 -2.07 -1.26 -5.03 119.66 115.35 3ir6 s GLN 757 Ca 0.28 1.10 0.42 0.00 -1.82 0.00 0.00 55.36 55.35 3ir6 s GLN 757 Cb -0.10 0.52 1.62 0.00 -1.09 0.00 0.00 33.01 33.97 3ir6 s GLN 757 CO 0.20 -0.45 1.61 -0.44 -1.32 0.00 0.00 175.29 174.89 3ir6 h ASP 758 N 8.04 0.08 -3.76 12.60 3.45 -1.99 -3.15 116.42 131.68 3ir6 h ASP 758 Ca -0.20 0.05 -0.66 0.00 0.43 0.00 0.00 57.03 56.65 3ir6 h ASP 758 Cb 1.14 0.05 -0.40 0.00 -0.56 0.00 0.00 39.33 39.55 3ir6 h ASP 758 CO 0.20 -0.07 -0.70 0.20 -1.57 0.00 0.00 179.24 177.29 3ir6 s ASN 759 N -4.21 4.74 0.54 6.45 -0.87 -1.26 -4.92 114.94 115.40 3ir6 s ASN 759 Ca -0.06 -2.25 -0.21 0.00 -1.57 0.00 0.00 52.86 48.77 3ir6 s ASN 759 Cb 0.28 -1.64 -0.05 0.00 -0.02 0.00 0.00 41.25 39.82 3ir6 s ASN 759 CO 0.86 -0.37 1.25 -0.83 -2.57 0.00 0.00 177.10 175.44 3ir6 s GLY 760 N 0.80 2.81 0.25 0.66 0.00 -1.19 -4.97 107.32 105.68 3ir6 s GLY 760 Ca 0.12 1.10 -0.30 0.00 0.00 0.00 0.00 44.72 45.64 3ir6 s GLY 760 CO -0.07 1.56 1.47 -2.27 0.00 0.00 0.00 173.10 173.79 3ir6 s LEU 761 N -3.56 4.38 0.32 0.66 2.96 -1.26 -5.02 118.68 117.15 3ir6 s LEU 761 Ca 0.71 2.72 0.09 0.00 -0.22 0.00 0.00 54.13 57.43 3ir6 s LEU 761 Cb -0.33 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 42.67 3ir6 s LEU 761 CO 0.39 -0.74 -0.11 -1.61 -1.32 0.00 0.00 176.35 172.96 3ir6 s GLU 762 N -0.36 1.75 -1.44 1.98 2.02 -1.26 -4.76 118.70 116.62 3ir6 s GLU 762 Ca 0.60 -1.88 -0.04 0.00 0.02 0.00 0.00 54.97 53.67 3ir6 s GLU 762 Cb -0.43 -1.62 0.03 0.00 0.10 0.00 0.00 34.13 32.21 3ir6 s GLU 762 CO 0.44 0.16 0.57 0.41 0.02 0.00 0.00 175.26 176.85 3ir6 n GLY 763 N -0.73 -0.29 0.31 -1.39 0.00 -0.89 -4.88 105.19 97.33 3ir6 n GLY 763 Ca -0.05 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 3ir6 n GLY 763 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ir6 h LYS 764 N -1.82 1.04 -6.22 1.61 1.57 -1.51 -3.42 116.57 107.81 3ir6 h LYS 764 Ca -0.62 -0.26 -0.56 0.00 -1.87 0.00 0.00 60.65 57.35 3ir6 h LYS 764 Cb 1.37 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 3ir6 h LYS 764 CO 0.64 0.94 1.03 -0.51 -0.57 0.00 0.00 179.45 180.97 3ir6 s LEU 765 N -9.43 4.24 0.10 2.94 1.43 -0.90 -4.48 118.68 112.57 3ir6 s LEU 765 Ca -0.11 1.99 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 3ir6 s LEU 765 Cb 0.15 -3.53 -0.23 0.00 0.03 0.00 0.00 46.19 42.60 3ir6 s LEU 765 CO 0.84 -0.90 1.20 0.44 0.23 0.00 0.00 176.35 178.16 3ir6 h ASP 766 N 9.17 0.33 -2.49 2.29 3.45 0.19 -3.45 116.42 125.91 3ir6 h ASP 766 Ca -0.34 -0.34 -0.10 0.00 0.43 0.00 0.00 57.03 56.68 3ir6 h ASP 766 Cb 1.15 -0.11 -0.28 0.00 -0.56 0.00 0.00 39.33 39.54 3ir6 h ASP 766 CO 0.96 1.24 -0.37 -0.22 -1.57 0.00 0.00 179.24 179.28 3ir6 s LEU 767 N -7.13 -0.64 -0.30 1.55 1.98 -0.89 -5.03 118.68 108.22 3ir6 s LEU 767 Ca -0.03 0.97 -0.05 0.00 -2.89 0.00 0.00 54.13 52.13 3ir6 s LEU 767 Cb 0.08 1.34 0.03 0.00 0.66 0.00 0.00 46.19 48.30 3ir6 s LEU 767 CO 0.86 -0.23 0.04 -0.69 -1.89 0.00 0.00 176.35 174.44 3ir6 s VAL 768 N 2.61 3.51 -0.24 1.68 1.01 -1.26 -1.51 120.40 126.21 3ir6 s VAL 768 Ca -0.01 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 3ir6 s VAL 768 Cb -0.12 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3ir6 s VAL 768 CO -0.13 -0.00 0.01 -0.69 0.00 0.00 0.00 175.10 174.29 3ir6 s VAL 769 N 1.39 3.81 -0.11 2.92 1.01 -0.28 -2.04 120.40 127.10 3ir6 s VAL 769 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3ir6 s VAL 769 Cb -0.18 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 3ir6 s VAL 769 CO 0.00 0.37 -0.11 -0.89 0.00 0.00 0.00 175.10 174.48 3ir6 s THR 770 N 1.54 3.29 -0.18 3.92 2.01 -0.40 -0.94 115.64 124.88 3ir6 s THR 770 Ca 0.06 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.39 3ir6 s THR 770 Cb -0.15 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3ir6 s THR 770 CO 0.00 0.54 0.06 -0.76 -0.69 0.00 0.00 174.62 173.77 3ir6 s LEU 771 N -0.03 3.77 0.09 4.42 1.02 -0.24 -0.62 118.68 127.09 3ir6 s LEU 771 Ca -0.02 0.06 -0.27 0.00 0.02 0.00 0.00 54.13 53.92 3ir6 s LEU 771 Cb -0.14 -1.95 0.08 0.00 0.02 0.00 0.00 46.19 44.20 3ir6 s LEU 771 CO 0.04 0.17 1.02 -0.62 0.02 0.00 0.00 176.35 176.98 3ir6 s ASP 772 N 0.39 -0.18 0.00 2.29 3.68 -0.95 -4.20 116.67 117.70 3ir6 s ASP 772 Ca 0.03 -0.28 0.11 0.00 2.13 0.00 0.00 52.55 54.53 3ir6 s ASP 772 Cb -0.13 0.40 0.03 0.00 -1.45 0.00 0.00 42.92 41.77 3ir6 s ASP 772 CO 0.00 -0.72 0.72 2.22 0.13 0.00 0.00 175.17 177.53 3ir6 n PHE 773 N -0.43 0.00 -4.06 -5.34 -1.74 -1.26 -0.80 117.46 103.83 3ir6 n PHE 773 Ca -0.07 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.69 3ir6 n PHE 773 Cb 0.61 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.48 3ir6 n PHE 773 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 3ir6 s ARG 774 N -1.25 0.37 -0.78 3.97 1.70 -1.26 -1.32 118.95 120.38 3ir6 s ARG 774 Ca 0.10 -0.38 -0.26 0.00 -0.47 0.00 0.00 55.73 54.73 3ir6 s ARG 774 Cb 0.09 -0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.22 3ir6 s ARG 774 CO 0.23 0.06 1.62 -1.17 -1.08 0.00 0.00 175.30 174.95 3ir6 s LEU 775 N -0.71 3.26 0.84 -1.89 0.20 -0.77 -4.83 118.68 114.79 3ir6 s LEU 775 Ca -0.04 -0.43 -0.07 0.00 0.69 0.00 0.00 54.13 54.28 3ir6 s LEU 775 Cb -0.05 -2.55 0.17 0.00 -0.43 0.00 0.00 46.19 43.33 3ir6 s LEU 775 CO -0.00 -2.12 1.15 -0.94 -0.29 0.00 0.00 176.35 174.15 3ir6 s SER 776 N 6.17 3.71 0.23 3.68 1.04 -1.26 -4.88 113.70 122.38 3ir6 s SER 776 Ca 0.54 -0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.72 3ir6 s SER 776 Cb -0.08 0.01 0.20 0.00 0.10 0.00 0.00 66.02 66.25 3ir6 s SER 776 CO 0.09 -2.31 1.80 0.28 0.98 0.00 0.00 173.24 174.08 3ir6 h SER 777 N -1.05 1.08 -0.22 7.02 0.02 -1.92 -1.24 113.55 117.24 3ir6 h SER 777 Ca -0.39 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.40 3ir6 h SER 777 Cb 1.25 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3ir6 h SER 777 CO 0.37 0.94 0.10 0.74 -1.14 0.00 0.00 176.83 177.84 3ir6 h THR 778 N 1.15 1.15 -0.72 -2.27 2.02 -1.79 -2.79 112.91 109.66 3ir6 h THR 778 Ca 0.27 -0.45 0.08 0.00 0.77 0.00 0.00 66.41 67.07 3ir6 h THR 778 Cb 0.19 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 3ir6 h THR 778 CO -0.03 0.15 0.39 0.00 0.37 0.00 0.00 175.52 176.41 3ir6 h LEU 780 N 0.69 0.53 -3.87 0.00 5.85 -0.97 0.90 115.31 118.45 3ir6 h LEU 780 Ca 0.34 0.06 -0.43 0.00 0.84 0.00 0.00 57.88 58.69 3ir6 h LEU 780 Cb 0.28 -0.03 -0.26 0.00 0.37 0.00 0.00 40.66 41.02 3ir6 h LEU 780 CO -0.22 0.19 0.50 -1.22 -0.34 0.00 0.00 178.44 177.35 3ir6 n TYR 781 N -4.60 2.69 -3.52 1.25 4.02 -0.81 -2.61 117.16 113.59 3ir6 n TYR 781 Ca 0.21 -1.74 -0.21 0.00 -0.01 0.00 0.00 57.90 56.15 3ir6 n TYR 781 Cb 0.69 -0.85 -0.02 0.00 -0.02 0.00 0.00 39.34 39.14 3ir6 n TYR 781 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3ir6 s SER 782 N -1.47 5.03 -0.19 7.72 0.01 0.31 -4.62 113.70 120.50 3ir6 s SER 782 Ca 0.55 -0.81 0.14 0.00 1.31 0.00 0.00 55.95 57.14 3ir6 s SER 782 Cb 0.46 -0.34 -0.21 0.00 0.21 0.00 0.00 66.02 66.14 3ir6 s SER 782 CO 0.09 -0.80 0.02 0.47 0.41 0.00 0.00 173.24 173.43 3ir6 n ASP 783 N -1.67 0.78 -3.70 2.44 8.00 -0.86 -4.77 116.55 116.76 3ir6 n ASP 783 Ca 0.04 -0.02 -0.18 0.00 0.71 0.00 0.00 54.79 55.34 3ir6 n ASP 783 Cb 0.62 0.72 -0.17 0.00 -0.02 0.00 0.00 41.12 42.26 3ir6 n ASP 783 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ir6 s ILE 784 N -2.45 -0.10 -0.25 0.53 1.01 -1.14 -1.88 121.20 116.93 3ir6 s ILE 784 Ca -0.13 0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.80 3ir6 s ILE 784 Cb 0.06 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.36 3ir6 s ILE 784 CO 0.71 0.15 0.08 -0.63 0.00 0.00 0.00 174.94 175.25 3ir6 s ILE 785 N 1.81 4.39 -0.27 2.92 1.09 0.03 -1.27 121.20 129.90 3ir6 s ILE 785 Ca 0.00 -0.15 -0.11 0.00 -1.10 0.00 0.00 60.65 59.30 3ir6 s ILE 785 Cb -0.12 -3.05 -0.05 0.00 -1.06 0.00 0.00 42.46 38.17 3ir6 s ILE 785 CO -0.03 0.33 0.18 -0.76 -0.10 0.00 0.00 174.94 174.57 3ir6 s LEU 786 N 1.62 4.04 -0.53 2.97 1.43 0.21 -0.58 118.68 127.84 3ir6 s LEU 786 Ca 0.06 0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.91 3ir6 s LEU 786 Cb -0.15 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 3ir6 s LEU 786 CO 0.04 -0.03 1.66 -2.16 0.23 0.00 0.00 176.35 176.09 3ir6 s PRO 787 N 1.61 3.06 0.50 1.29 0.04 -1.26 -2.24 135.00 137.99 3ir6 s PRO 787 Ca 0.07 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.82 3ir6 s PRO 787 Cb -0.15 -4.24 0.01 0.00 0.04 0.00 0.00 34.50 30.16 3ir6 s PRO 787 CO 0.10 -2.22 0.72 -0.08 0.04 0.00 0.00 177.00 175.56 3ir6 s THR 788 N 7.34 3.48 0.22 1.26 -1.32 0.02 -1.64 115.64 125.00 3ir6 s THR 788 Ca 0.63 -0.53 -0.17 0.00 -1.21 0.00 0.00 61.69 60.41 3ir6 s THR 788 Cb -0.14 -3.30 -0.08 0.00 -1.51 0.00 0.00 72.50 67.47 3ir6 s THR 788 CO 0.25 -0.21 0.67 0.00 -2.21 0.00 0.00 174.62 173.12 3ir6 s ALA 789 N -2.66 3.45 1.10 11.08 0.00 -0.64 -4.24 121.76 129.86 3ir6 s ALA 789 Ca 0.52 0.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 3ir6 s ALA 789 Cb -0.10 -2.72 0.24 0.00 0.00 0.00 0.00 23.12 20.54 3ir6 s ALA 789 CO 0.38 0.37 1.11 0.95 0.00 0.00 0.00 175.76 178.58 3ir6 s THR 790 N -1.58 1.79 -0.93 0.00 -4.23 -1.26 -4.88 115.64 104.55 3ir6 s THR 790 Ca 0.43 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 61.11 3ir6 s THR 790 Cb -0.15 -2.53 0.15 0.00 1.34 0.00 0.00 72.50 71.31 3ir6 s THR 790 CO 0.20 0.00 1.54 0.79 -0.54 0.00 0.00 174.62 176.61 3ir6 n TRP 791 N -4.46 0.12 0.99 3.99 8.01 -1.26 -1.97 117.44 122.86 3ir6 n TRP 791 Ca 0.10 0.05 0.12 0.00 -1.31 0.00 0.00 57.50 56.45 3ir6 n TRP 791 Cb 0.59 -0.57 0.32 0.00 -2.01 0.00 0.00 31.31 29.63 3ir6 n TRP 791 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3ir6 n TYR 792 N -1.61 0.23 -1.78 -5.99 0.53 -1.26 -4.22 117.16 103.06 3ir6 n TYR 792 Ca 0.04 -0.11 0.05 0.00 -1.02 0.00 0.00 57.90 56.85 3ir6 n TYR 792 Cb 0.20 0.00 0.10 0.00 -1.03 0.00 0.00 39.34 38.60 3ir6 n TYR 792 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3ir6 n GLU 793 N 0.76 0.76 -3.57 -0.72 1.02 -0.83 0.12 120.64 118.17 3ir6 n GLU 793 Ca 0.17 -2.29 -0.11 0.00 -0.02 0.00 0.00 57.16 54.92 3ir6 n GLU 793 Cb 0.45 -0.94 -0.03 0.00 -0.02 0.00 0.00 31.44 30.90 3ir6 n GLU 793 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3ir6 s LYS 794 N -1.62 1.27 -0.16 3.49 -2.85 -1.25 -4.17 119.74 114.46 3ir6 s LYS 794 Ca 0.27 -0.65 -0.06 0.00 -1.00 0.00 0.00 55.97 54.53 3ir6 s LYS 794 Cb 0.27 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.55 3ir6 s LYS 794 CO -0.05 -0.54 0.05 -0.51 0.10 0.00 0.00 175.35 174.39 3ir6 s ASP 795 N -2.80 5.56 0.21 0.03 1.01 -1.25 -2.30 116.67 117.12 3ir6 s ASP 795 Ca 0.04 0.10 -0.19 0.00 0.71 0.00 0.00 52.55 53.21 3ir6 s ASP 795 Cb -0.01 -1.90 0.07 0.00 1.01 0.00 0.00 42.92 42.09 3ir6 s ASP 795 CO -0.09 0.21 0.91 -0.67 0.21 0.00 0.00 175.17 175.74 3ir6 n ASP 796 N 3.27 -1.71 -4.40 0.27 4.64 -0.58 -4.78 116.55 113.26 3ir6 n ASP 796 Ca -0.17 -1.97 -0.20 0.00 -1.38 0.00 0.00 54.79 51.07 3ir6 n ASP 796 Cb 0.53 2.80 -0.10 0.00 -1.04 0.00 0.00 41.12 43.31 3ir6 n ASP 796 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 3ir6 s MET 797 N -2.05 1.48 -0.03 -0.67 -1.94 -1.26 -0.11 119.30 114.71 3ir6 s MET 797 Ca 0.20 -1.73 -0.04 0.00 -1.71 0.00 0.00 55.69 52.40 3ir6 s MET 797 Cb -0.03 -1.05 0.01 0.00 2.01 0.00 0.00 34.83 35.77 3ir6 s MET 797 CO 0.06 0.03 0.11 1.21 -0.01 0.00 0.00 175.02 176.43 3ir6 s ASN 798 N -3.40 -0.07 0.28 3.03 3.84 0.40 -3.18 114.94 115.84 3ir6 s ASN 798 Ca 0.28 0.10 0.02 0.00 0.21 0.00 0.00 52.86 53.48 3ir6 s ASN 798 Cb 0.03 0.22 -0.04 0.00 -0.55 0.00 0.00 41.25 40.92 3ir6 s ASN 798 CO 0.10 -0.12 0.15 0.42 -2.79 0.00 0.00 177.10 174.87 3ir6 s THR 799 N -0.31 0.28 0.21 -5.21 -4.23 -1.20 -2.10 115.64 103.07 3ir6 s THR 799 Ca -0.04 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.30 3ir6 s THR 799 Cb -0.03 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.31 3ir6 s THR 799 CO 0.00 0.00 0.54 -0.55 -0.54 0.00 0.00 174.62 174.07 3ir6 s SER 800 N -3.32 -0.24 0.08 3.99 0.15 -1.20 -4.50 113.70 108.65 3ir6 s SER 800 Ca 0.37 -0.55 0.12 0.00 0.70 0.00 0.00 55.95 56.59 3ir6 s SER 800 Cb 0.06 0.60 -0.17 0.00 -1.71 0.00 0.00 66.02 64.80 3ir6 s SER 800 CO 0.17 -1.10 1.03 0.44 1.20 0.00 0.00 173.24 174.97 3ir6 h ASP 801 N 2.18 0.00 0.50 5.45 5.19 -1.85 -3.33 116.42 124.55 3ir6 h ASP 801 Ca -0.27 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.03 3ir6 h ASP 801 Cb 1.26 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 3ir6 h ASP 801 CO 0.35 0.86 -0.51 0.24 -3.12 0.00 0.00 179.24 177.07 3ir6 h MET 802 N 0.00 0.01 -3.77 3.56 2.86 -1.95 -3.38 114.93 112.25 3ir6 h MET 802 Ca -0.12 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 3ir6 h MET 802 Cb 1.77 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.33 3ir6 h MET 802 CO 0.09 0.52 -0.17 -3.38 1.06 0.00 0.00 176.91 175.02 3ir6 s HIS 803 N -3.87 0.48 -1.91 -0.22 -3.43 -1.25 -1.56 115.29 103.53 3ir6 s HIS 803 Ca -0.02 -0.83 0.16 0.00 -0.80 0.00 0.00 55.06 53.58 3ir6 s HIS 803 Cb 0.13 0.10 0.49 0.00 -1.43 0.00 0.00 32.58 31.87 3ir6 s HIS 803 CO 0.75 -0.97 1.40 -0.35 -2.00 0.00 0.00 174.74 173.57 3ir6 n PRO 804 N -0.38 2.36 -3.02 -0.38 -0.04 -1.26 -4.08 135.00 128.20 3ir6 n PRO 804 Ca -0.01 -1.99 -0.39 0.00 -0.04 0.00 0.00 63.50 61.07 3ir6 n PRO 804 Cb 0.62 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 3ir6 n PRO 804 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3ir6 s PHE 805 N -1.33 3.85 -0.26 0.54 2.99 -1.26 -1.70 117.98 120.81 3ir6 s PHE 805 Ca 0.37 1.55 -0.03 0.00 0.00 0.00 0.00 56.93 58.82 3ir6 s PHE 805 Cb 0.20 -2.75 0.02 0.00 0.00 0.00 0.00 43.02 40.49 3ir6 s PHE 805 CO 0.24 0.46 -0.03 -1.50 -0.00 0.00 0.00 175.22 174.39 3ir6 s ILE 806 N -0.85 3.11 0.37 0.64 2.07 -0.66 -4.38 121.20 121.49 3ir6 s ILE 806 Ca 0.36 -0.96 0.05 0.00 -1.41 0.00 0.00 60.65 58.68 3ir6 s ILE 806 Cb -0.22 -2.59 -0.07 0.00 0.13 0.00 0.00 42.46 39.71 3ir6 s ILE 806 CO 0.25 0.16 0.04 -1.38 -1.91 0.00 0.00 174.94 172.10 3ir6 s HIS 807 N 1.36 2.21 0.58 3.50 -3.43 -0.89 -3.30 115.29 115.32 3ir6 s HIS 807 Ca 0.00 -0.83 0.10 0.00 -0.80 0.00 0.00 55.06 53.53 3ir6 s HIS 807 Cb -0.17 -1.51 0.09 0.00 -1.43 0.00 0.00 32.58 29.56 3ir6 s HIS 807 CO -0.03 0.21 0.81 -1.25 -2.00 0.00 0.00 174.74 172.48 3ir6 s PRO 808 N -3.81 2.27 -0.07 -0.38 0.04 -1.26 -0.45 135.00 131.34 3ir6 s PRO 808 Ca 0.35 -1.66 0.04 0.00 0.04 0.00 0.00 61.00 59.78 3ir6 s PRO 808 Cb 0.09 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.99 3ir6 s PRO 808 CO 0.16 -0.90 -0.20 -0.51 0.04 0.00 0.00 177.00 175.60 3ir6 s LEU 809 N -4.69 1.94 0.03 -3.56 1.02 0.84 -3.62 118.68 110.64 3ir6 s LEU 809 Ca 0.62 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 54.37 3ir6 s LEU 809 Cb -0.05 -1.15 -0.02 0.00 0.02 0.00 0.00 46.19 44.99 3ir6 s LEU 809 CO 0.39 0.15 -0.09 -0.44 0.02 0.00 0.00 176.35 176.38 3ir6 s SER 810 N 0.23 1.02 -0.29 2.29 0.01 -0.97 -1.53 113.70 114.45 3ir6 s SER 810 Ca -0.11 -0.41 -0.29 0.00 1.31 0.00 0.00 55.95 56.45 3ir6 s SER 810 Cb -0.15 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 3ir6 s SER 810 CO 0.05 -0.07 1.44 0.00 0.41 0.00 0.00 173.24 175.07 3ir6 s ALA 811 N -0.92 3.27 0.18 1.44 0.00 -1.07 -4.19 121.76 120.47 3ir6 s ALA 811 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3ir6 s ALA 811 Cb -0.07 -3.83 0.06 0.00 0.00 0.00 0.00 23.12 19.28 3ir6 s ALA 811 CO 0.01 -1.95 1.43 0.00 0.00 0.00 0.00 175.76 175.24 3ir6 h ALA 812 N 10.11 0.60 -2.78 0.00 0.00 0.53 -3.46 119.26 124.26 3ir6 h ALA 812 Ca -0.29 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 53.81 3ir6 h ALA 812 Cb 1.12 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 3ir6 h ALA 812 CO 1.03 0.79 -0.30 0.08 0.00 0.00 0.00 179.25 180.86 3ir6 s VAL 813 N -3.52 0.00 0.37 0.00 1.01 -1.23 -5.05 120.40 111.99 3ir6 s VAL 813 Ca -0.05 -1.65 -0.24 0.00 0.00 0.00 0.00 61.98 60.04 3ir6 s VAL 813 Cb 0.10 -2.40 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 3ir6 s VAL 813 CO 0.83 0.00 0.97 -1.81 0.00 0.00 0.00 175.10 175.09 3ir6 s ASP 814 N -3.12 7.08 0.10 3.32 1.01 -1.26 -4.43 116.67 119.36 3ir6 s ASP 814 Ca 0.30 1.84 -0.36 0.00 0.71 0.00 0.00 52.55 55.04 3ir6 s ASP 814 Cb 0.02 -2.57 -0.18 0.00 1.01 0.00 0.00 42.92 41.20 3ir6 s ASP 814 CO 0.13 -0.26 1.10 -2.65 0.21 0.00 0.00 175.17 173.70 3ir6 n PRO 815 N 0.06 0.63 -2.01 8.23 -0.02 -1.26 -4.90 135.00 135.73 3ir6 n PRO 815 Ca 0.04 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.44 3ir6 n PRO 815 Cb 0.51 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3ir6 n PRO 815 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ir6 s ALA 816 N -0.06 3.13 0.00 3.55 0.00 -1.26 -4.66 121.76 122.46 3ir6 s ALA 816 Ca 0.81 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.67 3ir6 s ALA 816 Cb -1.03 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.06 3ir6 s ALA 816 CO 0.53 -0.60 0.00 0.91 0.00 0.00 0.00 175.76 176.60 3ir6 n TRP 817 N -2.56 0.00 -0.95 0.00 8.01 -1.26 -1.94 117.44 118.74 3ir6 n TRP 817 Ca 0.05 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.29 3ir6 n TRP 817 Cb 0.54 0.01 0.38 0.00 -2.01 0.00 0.00 31.31 30.23 3ir6 n TRP 817 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3ir6 n GLU 818 N 14.00 4.56 -1.15 -0.99 1.02 -0.59 -5.00 120.64 132.50 3ir6 n GLU 818 Ca 0.00 -3.14 -0.32 0.00 -0.02 0.00 0.00 57.16 53.67 3ir6 n GLU 818 Cb 0.00 -2.24 0.12 0.00 -0.02 0.00 0.00 31.44 29.30 3ir6 n GLU 818 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ir6 s ALA 819 N -2.83 1.92 -0.01 0.62 0.00 -0.82 -4.85 121.76 115.79 3ir6 s ALA 819 Ca 0.54 0.65 -0.10 0.00 0.00 0.00 0.00 51.96 53.05 3ir6 s ALA 819 Cb 0.42 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 20.13 3ir6 s ALA 819 CO 0.15 -2.15 0.20 0.15 0.00 0.00 0.00 175.76 174.11 3ir6 s LYS 820 N -4.37 0.51 0.72 0.00 1.02 -0.65 -4.77 119.74 112.20 3ir6 s LYS 820 Ca 0.69 -0.24 -0.15 0.00 0.02 0.00 0.00 55.97 56.28 3ir6 s LYS 820 Cb -0.24 0.22 0.04 0.00 -0.52 0.00 0.00 37.83 37.33 3ir6 s LYS 820 CO 0.52 -0.13 1.19 -1.54 -0.92 0.00 0.00 175.35 174.47 3ir6 s SER 821 N -1.17 4.30 0.38 2.83 1.04 -1.26 -1.61 113.70 118.21 3ir6 s SER 821 Ca -0.12 2.29 0.08 0.00 0.48 0.00 0.00 55.95 58.68 3ir6 s SER 821 Cb -0.06 -2.58 0.82 0.00 0.10 0.00 0.00 66.02 64.30 3ir6 s SER 821 CO 0.02 -2.19 1.96 0.44 0.98 0.00 0.00 173.24 174.45 3ir6 h ASP 822 N -0.29 0.58 -0.28 7.02 3.32 -1.90 0.18 116.42 125.06 3ir6 h ASP 822 Ca -0.47 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 3ir6 h ASP 822 Cb 1.29 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3ir6 h ASP 822 CO 0.50 0.37 0.12 -0.25 -1.72 0.00 0.00 179.24 178.26 3ir6 h TRP 823 N 0.66 0.43 0.00 4.55 2.91 -1.85 -2.02 115.95 120.62 3ir6 h TRP 823 Ca 0.31 -0.03 -0.10 0.00 1.13 0.00 0.00 58.89 60.20 3ir6 h TRP 823 Cb 0.37 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 3ir6 h TRP 823 CO -0.00 0.42 -0.48 0.93 -1.03 0.00 0.00 178.44 178.27 3ir6 h GLU 824 N 0.31 0.00 -0.28 2.65 4.39 -1.64 -1.44 114.58 118.58 3ir6 h GLU 824 Ca 0.10 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 3ir6 h GLU 824 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3ir6 h GLU 824 CO -0.01 0.48 -0.17 0.82 -1.16 0.00 0.00 179.01 178.97 3ir6 h ILE 825 N 0.00 1.30 0.00 3.13 2.04 -0.77 -2.16 117.51 121.05 3ir6 h ILE 825 Ca -0.00 -1.29 -0.08 0.00 1.00 0.00 0.00 64.86 64.48 3ir6 h ILE 825 Cb 0.91 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3ir6 h ILE 825 CO 0.06 0.41 -0.40 1.88 0.00 0.00 0.00 178.15 180.10 3ir6 h TYR 826 N 0.35 0.00 -0.20 1.37 0.05 -1.32 -2.54 116.97 114.68 3ir6 h TYR 826 Ca 0.06 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 3ir6 h TYR 826 Cb 0.71 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 3ir6 h TYR 826 CO 0.07 0.40 0.00 -0.22 -1.05 0.00 0.00 178.16 177.36 3ir6 h LYS 827 N 0.00 0.35 -0.40 4.88 3.64 -1.16 0.68 116.57 124.56 3ir6 h LYS 827 Ca -0.00 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 3ir6 h LYS 827 Cb 1.23 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 3ir6 h LYS 827 CO 0.05 0.55 -0.12 0.00 -2.27 0.00 0.00 179.45 177.66 3ir6 h ALA 828 N 0.79 1.04 -0.39 5.00 0.00 -1.38 0.79 119.26 125.10 3ir6 h ALA 828 Ca 0.06 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3ir6 h ALA 828 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ir6 h ALA 828 CO 0.01 0.58 -0.24 0.82 0.00 0.00 0.00 179.25 180.42 3ir6 h ILE 829 N 0.65 1.27 -0.28 0.00 2.04 -1.31 -1.05 117.51 118.84 3ir6 h ILE 829 Ca 0.11 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 3ir6 h ILE 829 Cb 0.58 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3ir6 h ILE 829 CO 0.04 0.46 0.06 0.00 0.00 0.00 0.00 178.15 178.70 3ir6 h ALA 830 N 1.04 0.37 -0.56 1.87 0.00 -0.40 0.11 119.26 121.70 3ir6 h ALA 830 Ca 0.09 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ir6 h ALA 830 Cb 0.76 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3ir6 h ALA 830 CO 0.06 0.04 0.32 -0.22 0.00 0.00 0.00 179.25 179.45 3ir6 h LYS 831 N 0.28 0.60 -0.09 0.00 3.64 -0.54 -0.76 116.57 119.69 3ir6 h LYS 831 Ca 0.09 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 3ir6 h LYS 831 Cb 0.30 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3ir6 h LYS 831 CO 0.00 0.40 -0.55 -0.22 -2.27 0.00 0.00 179.45 176.81 3ir6 h LYS 832 N 0.62 0.27 -0.45 1.90 1.63 -1.04 -2.80 116.57 116.70 3ir6 h LYS 832 Ca 0.23 -0.17 -0.06 0.00 -0.85 0.00 0.00 60.65 59.80 3ir6 h LYS 832 Cb 0.08 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 3ir6 h LYS 832 CO -0.13 0.75 0.02 0.35 -3.45 0.00 0.00 179.45 176.99 3ir6 h PHE 833 N 0.21 0.75 -0.41 1.91 3.57 -0.16 -1.44 116.94 121.38 3ir6 h PHE 833 Ca 0.00 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 3ir6 h PHE 833 Cb 1.03 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3ir6 h PHE 833 CO 0.02 0.70 0.10 0.77 -2.23 0.00 0.00 178.31 177.66 3ir6 h SER 834 N 0.68 0.56 0.13 0.41 0.02 -0.89 -1.87 113.55 112.59 3ir6 h SER 834 Ca 0.14 -0.08 -0.34 0.00 -0.84 0.00 0.00 61.79 60.67 3ir6 h SER 834 Cb 0.39 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3ir6 h SER 834 CO 0.01 0.56 -1.81 1.05 -1.14 0.00 0.00 176.83 175.51 3ir6 h GLU 835 N 0.59 0.27 0.00 3.45 4.11 -1.42 -3.36 114.58 118.23 3ir6 h GLU 835 Ca 0.14 -0.47 -0.01 0.00 0.07 0.00 0.00 59.36 59.09 3ir6 h GLU 835 Cb 0.23 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3ir6 h GLU 835 CO -0.00 1.22 -0.03 0.28 0.07 0.00 0.00 179.01 180.55 3ir6 h VAL 836 N -0.05 0.18 0.00 -1.06 2.07 -1.27 -2.09 116.25 114.03 3ir6 h VAL 836 Ca -0.38 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3ir6 h VAL 836 Cb 1.96 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3ir6 h VAL 836 CO 0.08 0.03 -0.30 0.00 0.02 0.00 0.00 177.57 177.40 3ir6 n VAL 838 N -1.66 0.66 -0.21 0.00 0.31 -0.79 -1.13 118.33 115.51 3ir6 n VAL 838 Ca 0.06 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3ir6 n VAL 838 Cb 0.36 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 3ir6 n VAL 838 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ir6 n GLY 839 N 4.46 0.61 0.74 2.92 0.00 -1.26 -4.87 105.19 107.79 3ir6 n GLY 839 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3ir6 n GLY 839 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ir6 n HIS 840 N -2.00 0.00 -4.30 1.61 8.25 -0.28 -5.05 115.22 113.45 3ir6 n HIS 840 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 3ir6 n HIS 840 Cb 0.00 0.05 -0.16 0.00 1.12 0.00 0.00 29.99 31.01 3ir6 n HIS 840 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ir6 s LEU 841 N -5.39 1.69 0.00 2.41 1.43 -0.74 -4.99 118.68 113.09 3ir6 s LEU 841 Ca 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3ir6 s LEU 841 Cb 0.00 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.73 3ir6 s LEU 841 CO 0.00 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.22 3ir6 n GLY 842 N 3.47 1.76 3.27 -3.19 0.00 -1.26 -4.35 105.19 104.89 3ir6 n GLY 842 Ca -0.20 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 3ir6 n GLY 842 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir6 s LYS 843 N 2.65 3.39 0.54 1.61 1.02 -1.26 -0.38 119.74 127.31 3ir6 s LYS 843 Ca 0.00 -2.52 -0.02 0.00 0.02 0.00 0.00 55.97 53.45 3ir6 s LYS 843 Cb 0.00 -4.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.05 3ir6 s LYS 843 CO 0.00 -1.26 0.80 -1.21 -0.92 0.00 0.00 175.35 172.75 3ir6 s GLU 844 N 0.03 2.82 -0.10 1.68 0.41 0.08 -4.88 118.70 118.74 3ir6 s GLU 844 Ca 0.18 -0.38 0.03 0.00 -0.41 0.00 0.00 54.97 54.39 3ir6 s GLU 844 Cb -0.12 -2.42 -0.01 0.00 -1.78 0.00 0.00 34.13 29.80 3ir6 s GLU 844 CO -0.08 -0.59 -0.20 0.99 -0.49 0.00 0.00 175.26 174.90 3ir6 s THR 845 N -2.80 2.47 -0.09 3.63 2.01 -1.26 -1.09 115.64 118.51 3ir6 s THR 845 Ca 0.53 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.69 3ir6 s THR 845 Cb -0.10 -1.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 3ir6 s THR 845 CO 0.41 0.55 -0.24 -0.62 -0.69 0.00 0.00 174.62 174.03 3ir6 s ASP 846 N 0.17 3.07 -0.24 3.53 2.15 0.26 -4.47 116.67 121.13 3ir6 s ASP 846 Ca -0.11 -0.54 -0.19 0.00 0.43 0.00 0.00 52.55 52.14 3ir6 s ASP 846 Cb -0.16 -1.23 -0.03 0.00 -0.30 0.00 0.00 42.92 41.21 3ir6 s ASP 846 CO 0.06 0.18 0.55 -0.63 -0.17 0.00 0.00 175.17 175.17 3ir6 s ILE 847 N 0.19 5.05 -0.21 4.11 1.09 -1.15 -1.34 121.20 128.94 3ir6 s ILE 847 Ca -0.14 0.97 0.01 0.00 -1.10 0.00 0.00 60.65 60.39 3ir6 s ILE 847 Cb -0.17 -3.86 0.04 0.00 -1.06 0.00 0.00 42.46 37.42 3ir6 s ILE 847 CO 0.07 0.09 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.20 3ir6 s VAL 848 N 2.21 1.84 0.53 2.92 1.01 -0.41 -4.85 120.40 123.64 3ir6 s VAL 848 Ca 0.23 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 3ir6 s VAL 848 Cb -0.16 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 3ir6 s VAL 848 CO 0.09 0.16 1.04 0.42 0.00 0.00 0.00 175.10 176.80 3ir6 s THR 849 N 1.30 3.89 -0.15 3.92 -4.23 -1.26 -0.62 115.64 118.49 3ir6 s THR 849 Ca -0.03 1.03 -0.05 0.00 -1.18 0.00 0.00 61.69 61.46 3ir6 s THR 849 Cb -0.17 -3.45 0.07 0.00 1.34 0.00 0.00 72.50 70.29 3ir6 s THR 849 CO -0.08 -0.40 0.32 -0.22 -0.54 0.00 0.00 174.62 173.70 3ir6 s LEU 850 N -3.96 -0.43 0.63 4.79 2.96 -0.69 -4.91 118.68 117.08 3ir6 s LEU 850 Ca 0.65 0.73 -0.18 0.00 -0.22 0.00 0.00 54.13 55.11 3ir6 s LEU 850 Cb -0.15 0.94 -0.01 0.00 0.50 0.00 0.00 46.19 47.46 3ir6 s LEU 850 CO 0.28 -0.24 1.22 -2.16 -1.32 0.00 0.00 176.35 174.13 3ir6 s PRO 851 N 2.49 2.72 -0.19 0.98 0.04 -1.26 -0.41 135.00 139.36 3ir6 s PRO 851 Ca 0.00 1.84 -0.33 0.00 0.04 0.00 0.00 61.00 62.55 3ir6 s PRO 851 Cb -0.12 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3ir6 s PRO 851 CO -0.10 -1.41 2.05 -0.89 0.04 0.00 0.00 177.00 176.69 3ir6 n ILE 852 N -1.91 0.42 -2.62 0.56 5.41 0.17 -4.82 119.36 116.57 3ir6 n ILE 852 Ca 0.14 -0.23 -0.39 0.00 1.00 0.00 0.00 62.75 63.27 3ir6 n ILE 852 Cb 0.50 -1.97 -0.05 0.00 -0.71 0.00 0.00 39.64 37.41 3ir6 n ILE 852 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3ir6 s GLN 853 N 5.22 4.61 0.83 0.38 -1.52 -1.26 -2.17 119.66 125.75 3ir6 s GLN 853 Ca 0.99 1.58 -0.12 0.00 -1.95 0.00 0.00 55.36 55.87 3ir6 s GLN 853 Cb -0.66 -3.04 0.09 0.00 -0.22 0.00 0.00 33.01 29.18 3ir6 s GLN 853 CO 0.47 0.25 1.12 -1.58 -0.25 0.00 0.00 175.29 175.30 3ir6 s HIS 854 N -1.33 2.79 -1.17 0.91 5.65 0.47 -3.52 115.29 119.09 3ir6 s HIS 854 Ca 0.47 1.01 0.00 0.00 0.25 0.00 0.00 55.06 56.78 3ir6 s HIS 854 Cb -0.26 -3.24 0.00 0.00 -1.18 0.00 0.00 32.58 27.90 3ir6 s HIS 854 CO 0.33 -1.91 0.00 -0.25 -0.65 0.00 0.00 174.74 172.27 3ir6 n ASP 855 N -3.49 -3.67 -4.02 9.88 8.00 -1.26 -4.92 116.55 117.07 3ir6 n ASP 855 Ca 0.07 0.24 -0.14 0.00 0.71 0.00 0.00 54.79 55.67 3ir6 n ASP 855 Cb 0.58 -3.24 -0.12 0.00 -0.02 0.00 0.00 41.12 38.31 3ir6 n ASP 855 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ir6 s SER 856 N -2.04 0.74 0.56 -2.24 1.04 -1.23 -3.35 113.70 107.18 3ir6 s SER 856 Ca 0.00 -0.38 0.39 0.00 0.48 0.00 0.00 55.95 56.44 3ir6 s SER 856 Cb 0.00 0.00 1.55 0.00 0.10 0.00 0.00 66.02 67.67 3ir6 s SER 856 CO 0.00 -0.11 1.70 0.00 0.98 0.00 0.00 173.24 175.81 3ir6 h ALA 857 N 5.05 3.27 0.00 5.32 0.00 -1.92 0.34 119.26 131.31 3ir6 h ALA 857 Ca -0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ir6 h ALA 857 Cb 1.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ir6 h ALA 857 CO 0.44 -1.72 0.00 0.00 0.00 0.00 0.00 179.25 177.97 3ir6 h ALA 858 N 1.22 1.00 0.00 0.00 0.00 -1.90 -3.13 119.26 116.45 3ir6 h ALA 858 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 3ir6 h ALA 858 Cb 2.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.47 3ir6 h ALA 858 CO -0.01 0.00 0.02 -0.85 0.00 0.00 0.00 179.25 178.41 3ir6 n GLU 859 N -2.33 0.08 -2.00 0.00 0.28 0.12 -2.47 120.64 114.33 3ir6 n GLU 859 Ca 0.02 0.57 -0.37 0.00 -0.16 0.00 0.00 57.16 57.22 3ir6 n GLU 859 Cb 0.22 -1.79 0.01 0.00 1.43 0.00 0.00 31.44 31.31 3ir6 n GLU 859 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3ir6 n LEU 860 N -1.94 7.32 0.00 -1.84 4.32 -1.19 -0.89 117.00 122.78 3ir6 n LEU 860 Ca -0.01 -4.80 0.00 0.00 -0.02 0.00 0.00 56.01 51.18 3ir6 n LEU 860 Cb 0.04 -1.16 0.00 0.00 -1.62 0.00 0.00 43.42 40.68 3ir6 n LEU 860 CO 0.06 1.86 0.00 0.00 -1.22 0.00 0.00 177.39 178.08 3ir6 n ALA 861 N 0.15 0.00 -3.10 -1.18 0.00 -1.03 -4.72 120.51 110.63 3ir6 n ALA 861 Ca 0.52 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.51 3ir6 n ALA 861 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 3ir6 n ALA 861 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ir6 s GLN 862 N -0.01 3.40 0.22 0.00 -0.21 -1.15 -4.94 119.66 116.98 3ir6 s GLN 862 Ca 0.00 -1.79 -0.02 0.00 0.02 0.00 0.00 55.36 53.58 3ir6 s GLN 862 Cb 0.00 -4.54 0.21 0.00 1.00 0.00 0.00 33.01 29.68 3ir6 s GLN 862 CO 0.00 -1.56 1.59 -1.00 -2.12 0.00 0.00 175.29 172.20 3ir6 h PRO 863 N 8.68 0.58 0.00 2.91 0.13 -1.86 -3.40 132.00 139.04 3ir6 h PRO 863 Ca -0.02 -0.29 -0.24 0.00 -0.87 0.00 0.00 66.00 64.58 3ir6 h PRO 863 Cb 1.05 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 3ir6 h PRO 863 CO 1.01 0.88 -1.89 1.28 -0.23 0.00 0.00 178.00 179.04 3ir6 n LEU 864 N -4.04 0.06 0.00 1.56 7.99 -1.26 -5.03 117.00 116.28 3ir6 n LEU 864 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 3ir6 n LEU 864 Cb 0.51 0.30 0.00 0.00 -0.11 0.00 0.00 43.42 44.12 3ir6 n LEU 864 CO 0.45 0.33 0.00 -0.90 -1.51 0.00 0.00 177.39 175.76 3ir6 n ASP 865 N -2.49 0.00 -4.09 -1.43 5.68 -1.26 -4.86 116.55 108.09 3ir6 n ASP 865 Ca -0.21 -0.05 -0.32 0.00 -0.50 0.00 0.00 54.79 53.71 3ir6 n ASP 865 Cb 0.92 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.74 3ir6 n ASP 865 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3ir6 s VAL 866 N -2.51 1.93 -0.20 2.12 1.01 -1.26 -4.85 120.40 116.64 3ir6 s VAL 866 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3ir6 s VAL 866 Cb 0.00 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.65 3ir6 s VAL 866 CO 0.00 0.50 -0.15 -0.54 0.00 0.00 0.00 175.10 174.91 3ir6 s LYS 867 N 1.34 2.53 -0.53 2.72 1.02 -1.26 -5.09 119.74 120.47 3ir6 s LYS 867 Ca 0.05 -0.94 -0.24 0.00 0.02 0.00 0.00 55.97 54.85 3ir6 s LYS 867 Cb -0.13 -2.58 0.04 0.00 -0.52 0.00 0.00 37.83 34.64 3ir6 s LYS 867 CO -0.12 -0.35 0.93 0.34 -0.92 0.00 0.00 175.35 175.23 3ir6 s ASP 868 N 1.28 6.37 0.53 2.83 -1.08 -1.26 -4.83 116.67 120.51 3ir6 s ASP 868 Ca 0.00 -0.26 0.18 0.00 -0.52 0.00 0.00 52.55 51.95 3ir6 s ASP 868 Cb -0.15 -2.44 1.36 0.00 -1.46 0.00 0.00 42.92 40.23 3ir6 s ASP 868 CO -0.10 -1.19 2.16 4.11 0.52 0.00 0.00 175.17 180.68 3ir6 h TRP 869 N 9.26 0.00 0.00 -5.34 5.08 -1.82 0.11 115.95 123.24 3ir6 h TRP 869 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 3ir6 h TRP 869 Cb 1.07 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.23 3ir6 h TRP 869 CO 0.90 0.00 0.00 1.17 -1.28 0.00 0.00 178.44 179.23 3ir6 n LYS 870 N -4.43 0.13 -0.48 0.12 4.81 -1.26 -1.18 118.16 115.88 3ir6 n LYS 870 Ca -0.03 0.33 0.09 0.00 -0.87 0.00 0.00 58.31 57.84 3ir6 n LYS 870 Cb 0.10 -1.74 0.31 0.00 0.02 0.00 0.00 35.03 33.72 3ir6 n LYS 870 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3ir6 n LYS 871 N -1.99 3.32 -0.72 1.64 5.02 0.34 -4.93 118.16 120.84 3ir6 n LYS 871 Ca 0.03 -2.71 0.00 0.00 -2.02 0.00 0.00 58.31 53.61 3ir6 n LYS 871 Cb 0.23 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 3ir6 n LYS 871 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ir6 n GLY 872 N 1.05 0.29 0.00 0.72 0.00 -0.32 -4.82 105.19 102.11 3ir6 n GLY 872 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.28 3ir6 n GLY 872 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ir6 n GLU 873 N -1.70 0.12 0.00 1.61 1.02 -1.06 -4.79 120.64 115.85 3ir6 n GLU 873 Ca 0.00 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3ir6 n GLU 873 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 3ir6 n GLU 873 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ir6 s ASP 875 N 0.00 6.89 -0.54 0.00 3.68 -1.26 -4.47 116.67 120.97 3ir6 s ASP 875 Ca 0.00 1.17 -0.27 0.00 2.13 0.00 0.00 52.55 55.57 3ir6 s ASP 875 Cb 0.00 -2.32 -0.00 0.00 -1.45 0.00 0.00 42.92 39.14 3ir6 s ASP 875 CO 0.00 0.09 1.63 -0.22 0.13 0.00 0.00 175.17 176.80 3ir6 s LEU 876 N -1.94 3.38 -0.42 -1.34 0.20 -1.26 -4.75 118.68 112.55 3ir6 s LEU 876 Ca 0.39 0.47 0.02 0.00 0.69 0.00 0.00 54.13 55.69 3ir6 s LEU 876 Cb -0.16 -2.95 0.11 0.00 -0.43 0.00 0.00 46.19 42.77 3ir6 s LEU 876 CO 0.20 -1.93 0.17 -0.63 -0.29 0.00 0.00 176.35 173.86 3ir6 s ILE 877 N 7.20 2.73 0.21 6.68 1.01 -1.26 -5.00 121.20 132.77 3ir6 s ILE 877 Ca 0.62 -2.52 -0.31 0.00 0.00 0.00 0.00 60.65 58.44 3ir6 s ILE 877 Cb -0.13 -2.92 -0.15 0.00 0.01 0.00 0.00 42.46 39.26 3ir6 s ILE 877 CO 0.25 -0.69 1.11 -0.81 0.00 0.00 0.00 174.94 174.80 3ir6 n PRO 878 N 4.05 1.22 0.00 2.79 -0.04 -1.26 -0.10 135.00 141.67 3ir6 n PRO 878 Ca 0.03 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 3ir6 n PRO 878 Cb 0.40 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 3ir6 n PRO 878 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ir6 n GLY 879 N 1.80 2.18 1.42 0.55 0.00 0.39 -4.77 105.19 106.76 3ir6 n GLY 879 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3ir6 n GLY 879 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ir6 n LYS 880 N -2.00 0.00 -0.28 1.61 4.81 0.86 -4.84 118.16 118.32 3ir6 n LYS 880 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 3ir6 n LYS 880 Cb 0.00 -0.30 0.19 0.00 0.02 0.00 0.00 35.03 34.94 3ir6 n LYS 880 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3ir6 n THR 881 N -3.42 2.10 -3.66 3.15 -2.24 -0.60 -4.44 114.28 105.18 3ir6 n THR 881 Ca 0.00 -2.19 -0.04 0.00 -2.27 0.00 0.00 64.05 59.56 3ir6 n THR 881 Cb 0.04 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.00 3ir6 n THR 881 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ir6 s ALA 882 N -2.90 -1.84 0.75 6.98 0.00 -1.13 -4.39 121.76 119.23 3ir6 s ALA 882 Ca 0.37 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 3ir6 s ALA 882 Cb 0.32 0.47 0.04 0.00 0.00 0.00 0.00 23.12 23.95 3ir6 s ALA 882 CO 0.05 -0.93 1.08 -1.25 0.00 0.00 0.00 175.76 174.70 3ir6 s PRO 883 N -3.01 2.50 0.76 0.00 0.04 -1.26 -0.46 135.00 133.56 3ir6 s PRO 883 Ca 0.11 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 3ir6 s PRO 883 Cb 0.00 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.65 3ir6 s PRO 883 CO -0.02 -1.41 1.14 -1.01 0.04 0.00 0.00 177.00 175.73 3ir6 s HIS 884 N -3.02 2.28 -0.26 0.56 3.76 0.45 -3.43 115.29 115.63 3ir6 s HIS 884 Ca 0.60 1.61 0.03 0.00 -0.15 0.00 0.00 55.06 57.15 3ir6 s HIS 884 Cb -0.15 -3.24 0.06 0.00 1.11 0.00 0.00 32.58 30.36 3ir6 s HIS 884 CO 0.55 -2.15 -0.10 0.42 -0.85 0.00 0.00 174.74 172.61 3ir6 s ILE 885 N -2.47 2.14 0.27 0.60 -1.09 -1.26 -1.71 121.20 117.68 3ir6 s ILE 885 Ca 0.67 -1.63 0.07 0.00 -2.23 0.00 0.00 60.65 57.53 3ir6 s ILE 885 Cb -0.22 -2.26 -0.03 0.00 -1.58 0.00 0.00 42.46 38.37 3ir6 s ILE 885 CO 0.49 -0.05 0.27 -0.04 -1.23 0.00 0.00 174.94 174.39 3ir6 s MET 886 N 1.11 3.03 -0.19 2.79 -1.94 0.21 -4.93 119.30 119.38 3ir6 s MET 886 Ca -0.08 -1.02 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 3ir6 s MET 886 Cb -0.20 -2.65 0.02 0.00 2.01 0.00 0.00 34.83 34.01 3ir6 s MET 886 CO -0.05 0.34 -0.17 0.08 -0.01 0.00 0.00 175.02 175.21 3ir6 s VAL 887 N -2.12 2.30 -0.13 -6.03 1.01 -1.26 -1.29 120.40 112.88 3ir6 s VAL 887 Ca 0.35 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3ir6 s VAL 887 Cb -0.08 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3ir6 s VAL 887 CO 0.27 0.48 -0.15 -0.69 0.00 0.00 0.00 175.10 175.00 3ir6 s VAL 888 N 1.31 1.60 -0.08 2.92 1.01 -0.45 -4.93 120.40 121.78 3ir6 s VAL 888 Ca 0.04 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 3ir6 s VAL 888 Cb -0.14 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3ir6 s VAL 888 CO -0.11 0.46 0.55 -1.61 0.00 0.00 0.00 175.10 174.40 3ir6 s GLU 889 N 1.23 4.34 -0.13 2.72 0.41 -1.26 -0.58 118.70 125.43 3ir6 s GLU 889 Ca -0.01 0.61 0.03 0.00 -0.41 0.00 0.00 54.97 55.19 3ir6 s GLU 889 Cb -0.14 -3.41 0.01 0.00 -1.78 0.00 0.00 34.13 28.81 3ir6 s GLU 889 CO -0.06 0.20 -0.21 1.03 -0.49 0.00 0.00 175.26 175.72 3ir6 s ARG 890 N 0.44 2.92 -1.08 1.61 0.52 -0.25 -4.98 118.95 118.12 3ir6 s ARG 890 Ca 0.30 -0.82 -0.11 0.00 -0.52 0.00 0.00 55.73 54.57 3ir6 s ARG 890 Cb -0.16 -2.34 0.24 0.00 0.52 0.00 0.00 34.95 33.21 3ir6 s ARG 890 CO 0.14 0.02 1.13 0.34 0.02 0.00 0.00 175.30 176.94 3ir6 s ASP 891 N 0.75 7.16 0.28 0.23 -1.08 -1.26 -0.74 116.67 122.00 3ir6 s ASP 891 Ca -0.09 -3.26 0.01 0.00 -0.52 0.00 0.00 52.55 48.69 3ir6 s ASP 891 Cb -0.16 -2.26 0.57 0.00 -1.46 0.00 0.00 42.92 39.61 3ir6 s ASP 891 CO 0.00 -0.46 1.82 1.88 0.52 0.00 0.00 175.17 178.93 3ir6 h TYR 892 N 7.04 1.11 0.00 -5.34 0.05 -1.00 0.95 116.97 119.78 3ir6 h TYR 892 Ca 0.20 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3ir6 h TYR 892 Cb 0.91 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.30 3ir6 h TYR 892 CO 0.89 0.41 0.00 -1.35 -1.05 0.00 0.00 178.16 177.06 3ir6 h PRO 893 N 0.95 0.00 -0.14 4.88 0.11 -1.76 -2.95 132.00 133.09 3ir6 h PRO 893 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3ir6 h PRO 893 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3ir6 h PRO 893 CO -0.28 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.51 3ir6 n ALA 894 N -1.96 2.53 0.04 -0.75 0.00 0.30 -4.54 120.51 116.13 3ir6 n ALA 894 Ca 0.02 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 3ir6 n ALA 894 Cb 0.33 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.60 3ir6 n ALA 894 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3ir6 h THR 895 N 2.14 0.00 -0.99 0.00 2.02 -1.31 0.32 112.91 115.09 3ir6 h THR 895 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 3ir6 h THR 895 Cb 0.47 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.79 3ir6 h THR 895 CO 0.00 0.00 0.62 0.22 0.37 0.00 0.00 175.52 176.73 3ir6 h TYR 896 N -0.56 1.06 -0.48 3.16 3.20 -1.80 0.42 116.97 121.98 3ir6 h TYR 896 Ca 0.01 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 3ir6 h TYR 896 Cb 0.60 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3ir6 h TYR 896 CO -0.50 0.35 -0.05 0.93 -1.64 0.00 0.00 178.16 177.25 3ir6 h GLU 897 N 0.86 0.88 -0.46 1.82 4.39 -1.72 -2.10 114.58 118.26 3ir6 h GLU 897 Ca 0.52 -0.31 -0.12 0.00 0.34 0.00 0.00 59.36 59.79 3ir6 h GLU 897 Cb 0.68 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3ir6 h GLU 897 CO -0.29 0.95 -0.20 0.00 -1.16 0.00 0.00 179.01 178.31 3ir6 h ARG 898 N 0.73 0.91 -0.51 2.33 3.08 0.39 -3.02 114.38 118.28 3ir6 h ARG 898 Ca 0.13 -0.37 0.04 0.00 0.07 0.00 0.00 59.98 59.85 3ir6 h ARG 898 Cb 0.58 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 3ir6 h ARG 898 CO 0.03 1.02 0.26 0.35 -1.07 0.00 0.00 179.97 180.57 3ir6 h PHE 899 N 0.79 0.49 -0.48 3.04 3.57 -0.03 -2.90 116.94 121.41 3ir6 h PHE 899 Ca 0.11 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.39 3ir6 h PHE 899 Cb 0.74 -0.15 -0.14 0.00 2.79 0.00 0.00 35.95 39.20 3ir6 h PHE 899 CO 0.04 0.25 0.30 0.25 -2.23 0.00 0.00 178.31 176.92 3ir6 n THR 900 N -4.87 2.04 -3.59 4.41 -2.24 -0.81 -4.85 114.28 104.38 3ir6 n THR 900 Ca 0.04 -0.94 -0.16 0.00 -2.27 0.00 0.00 64.05 60.72 3ir6 n THR 900 Cb 0.12 -0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 67.59 3ir6 n THR 900 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ir6 s SER 901 N -0.18 -0.49 -0.39 3.42 1.04 -1.10 -1.40 113.70 114.59 3ir6 s SER 901 Ca 0.29 0.42 -0.27 0.00 0.48 0.00 0.00 55.95 56.87 3ir6 s SER 901 Cb 0.24 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.85 3ir6 s SER 901 CO 0.06 -0.61 0.97 -0.63 0.98 0.00 0.00 173.24 174.01 3ir6 s ILE 902 N -1.59 4.51 1.00 -1.02 1.01 -0.20 -4.84 121.20 120.07 3ir6 s ILE 902 Ca -0.10 1.21 -0.17 0.00 0.00 0.00 0.00 60.65 61.60 3ir6 s ILE 902 Cb -0.01 -4.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 3ir6 s ILE 902 CO 0.05 -0.63 -0.33 0.61 0.00 0.00 0.00 174.94 174.65 3ir6 n GLY 903 N 4.44 -3.18 0.11 6.18 0.00 -1.25 -4.41 105.19 107.07 3ir6 n GLY 903 Ca 0.08 -0.70 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 3ir6 n GLY 903 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ir6 h PRO 904 N -1.36 0.00 -0.76 1.61 0.13 -1.80 -3.34 132.00 126.48 3ir6 h PRO 904 Ca -0.44 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.91 3ir6 h PRO 904 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 3ir6 h PRO 904 CO 0.29 0.69 0.70 -0.07 -0.23 0.00 0.00 178.00 179.38 3ir6 h LEU 905 N 0.00 0.00 -0.76 1.56 3.38 -1.45 0.29 115.31 118.34 3ir6 h LEU 905 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3ir6 h LEU 905 Cb 1.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 3ir6 h LEU 905 CO 0.09 0.00 -0.15 0.24 0.09 0.00 0.00 178.44 178.71 3ir6 h MET 906 N 0.00 0.79 0.17 1.13 2.86 -1.71 0.18 114.93 118.35 3ir6 h MET 906 Ca 0.36 -0.28 -0.28 0.00 -2.06 0.00 0.00 59.70 57.44 3ir6 h MET 906 Cb 1.77 -0.06 0.03 0.00 0.06 0.00 0.00 31.60 33.40 3ir6 h MET 906 CO -0.00 0.89 -1.22 0.93 1.06 0.00 0.00 176.91 178.57 3ir6 h GLU 907 N 0.71 0.52 0.30 1.72 5.08 -0.73 -1.71 114.58 120.46 3ir6 h GLU 907 Ca 0.11 -0.79 -0.01 0.00 -1.00 0.00 0.00 59.36 57.67 3ir6 h GLU 907 Cb 0.64 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3ir6 h GLU 907 CO 0.05 1.37 -0.14 -0.22 -1.00 0.00 0.00 179.01 179.06 3ir6 h LYS 908 N 0.07 -0.38 0.00 2.33 3.64 -1.17 -3.38 116.57 117.67 3ir6 h LYS 908 Ca -0.20 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3ir6 h LYS 908 Cb 1.93 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 3ir6 h LYS 908 CO 0.23 -0.26 -0.73 -0.89 -2.27 0.00 0.00 179.45 175.54 3ir6 n ILE 909 N -4.52 0.17 -2.50 2.00 5.41 0.59 -5.07 119.36 115.45 3ir6 n ILE 909 Ca -0.05 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.53 3ir6 n ILE 909 Cb 0.16 0.13 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 3ir6 n ILE 909 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ir6 n GLY 910 N 1.40 -1.59 3.28 7.39 0.00 -0.64 -5.00 105.19 110.03 3ir6 n GLY 910 Ca 0.04 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 3ir6 n GLY 910 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ir6 s ASN 911 N -4.00 -0.24 0.00 1.61 2.47 -1.05 -4.32 114.94 109.41 3ir6 s ASN 911 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.34 3ir6 s ASN 911 Cb 0.00 0.36 0.00 0.00 -1.45 0.00 0.00 41.25 40.16 3ir6 s ASN 911 CO 0.00 -0.54 0.00 0.61 -3.72 0.00 0.00 177.10 173.45 3ir6 n GLY 912 N 0.94 -0.69 3.71 1.21 0.00 -1.26 -1.44 105.19 107.66 3ir6 n GLY 912 Ca -0.20 -1.04 -0.01 0.00 0.00 0.00 0.00 46.02 44.76 3ir6 n GLY 912 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ir6 s GLY 913 N 0.00 -0.28 -1.33 -0.02 0.00 -0.82 -4.90 107.32 99.96 3ir6 s GLY 913 Ca 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 44.72 45.00 3ir6 s GLY 913 CO 0.00 0.20 0.24 1.17 0.00 0.00 0.00 173.10 174.71 3ir6 n LYS 914 N -0.49 -2.98 0.00 2.90 4.81 -1.26 -1.95 118.16 119.18 3ir6 n LYS 914 Ca -0.07 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 3ir6 n LYS 914 Cb 0.61 -5.39 0.00 0.00 0.02 0.00 0.00 35.03 30.27 3ir6 n LYS 914 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ir6 n GLY 915 N -1.08 3.12 3.99 3.14 0.00 -1.21 -4.99 105.19 108.16 3ir6 n GLY 915 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 3ir6 n GLY 915 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ir6 s ILE 916 N -2.36 3.62 -0.16 -0.61 -0.00 -0.82 -5.00 121.20 115.87 3ir6 s ILE 916 Ca 0.00 -0.94 -0.20 0.00 -0.00 0.00 0.00 60.65 59.51 3ir6 s ILE 916 Cb 0.00 -3.25 0.05 0.00 -0.00 0.00 0.00 42.46 39.26 3ir6 s ILE 916 CO 0.00 -0.11 0.53 0.00 -0.00 0.00 0.00 174.94 175.36 3ir6 s ALA 917 N -2.30 -1.31 0.18 2.27 0.00 -1.26 -1.95 121.76 117.39 3ir6 s ALA 917 Ca 0.49 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.81 3ir6 s ALA 917 Cb -0.10 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 3ir6 s ALA 917 CO 0.33 -0.27 0.11 -2.67 0.00 0.00 0.00 175.76 173.26 3ir6 n TRP 918 N 2.33 -0.20 -4.10 0.00 2.14 -0.52 -4.82 117.44 112.27 3ir6 n TRP 918 Ca -0.15 -1.35 -0.34 0.00 2.07 0.00 0.00 57.50 57.72 3ir6 n TRP 918 Cb 0.56 0.08 -0.10 0.00 -0.81 0.00 0.00 31.31 31.05 3ir6 n TRP 918 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 3ir6 s ASN 919 N -2.19 5.49 -0.22 -0.67 3.84 -1.26 -2.52 114.94 117.41 3ir6 s ASN 919 Ca 0.16 0.07 0.14 0.00 0.21 0.00 0.00 52.86 53.44 3ir6 s ASN 919 Cb 0.01 -1.90 0.45 0.00 -0.55 0.00 0.00 41.25 39.27 3ir6 s ASN 919 CO 0.11 0.20 1.18 1.07 -2.79 0.00 0.00 177.10 176.87 3ir6 n THR 920 N 3.35 1.80 -0.22 -5.21 5.66 -1.26 -4.81 114.28 113.59 3ir6 n THR 920 Ca -0.17 -3.20 -0.07 0.00 -3.05 0.00 0.00 64.05 57.56 3ir6 n THR 920 Cb 0.52 -0.07 0.03 0.00 -1.55 0.00 0.00 70.33 69.27 3ir6 n THR 920 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 3ir6 h GLN 921 N 1.76 0.89 -0.90 1.09 5.75 -1.91 -2.53 115.11 119.26 3ir6 h GLN 921 Ca 0.07 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3ir6 h GLN 921 Cb 1.39 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 29.73 3ir6 h GLN 921 CO 0.33 0.72 0.58 0.66 -2.65 0.00 0.00 178.83 178.47 3ir6 h SER 922 N 0.85 0.97 -0.34 -0.69 4.64 -2.00 -2.28 113.55 114.71 3ir6 h SER 922 Ca 0.21 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.57 3ir6 h SER 922 Cb 0.12 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 3ir6 h SER 922 CO -0.03 0.67 0.08 -0.33 -0.87 0.00 0.00 176.83 176.35 3ir6 h GLU 923 N 1.13 0.20 -0.38 4.77 3.07 -1.80 -1.88 114.58 119.70 3ir6 h GLU 923 Ca 0.35 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.25 3ir6 h GLU 923 Cb -0.01 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.81 3ir6 h GLU 923 CO -0.11 0.13 0.13 0.52 -1.40 0.00 0.00 179.01 178.27 3ir6 h MET 924 N 0.20 0.27 -0.39 2.33 2.86 -1.17 0.15 114.93 119.19 3ir6 h MET 924 Ca 0.16 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 3ir6 h MET 924 Cb 0.17 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3ir6 h MET 924 CO -0.20 0.18 0.26 -0.44 1.06 0.00 0.00 176.91 177.77 3ir6 h ASP 925 N 0.28 0.26 -0.17 1.22 3.32 -0.92 0.83 116.42 121.24 3ir6 h ASP 925 Ca 0.17 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 3ir6 h ASP 925 Cb 0.15 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3ir6 h ASP 925 CO -0.18 0.17 -0.51 0.25 -1.72 0.00 0.00 179.24 177.25 3ir6 h LEU 926 N 0.30 0.74 -0.31 1.55 6.46 -0.41 -3.13 115.31 120.51 3ir6 h LEU 926 Ca 0.17 -0.59 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 3ir6 h LEU 926 Cb 0.29 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 3ir6 h LEU 926 CO -0.04 1.20 0.17 -0.07 -0.62 0.00 0.00 178.44 179.09 3ir6 h LEU 927 N 0.31 0.39 -1.66 2.25 3.38 0.40 -1.46 115.31 118.92 3ir6 h LEU 927 Ca -0.02 -0.08 0.26 0.00 0.09 0.00 0.00 57.88 58.13 3ir6 h LEU 927 Cb 1.13 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 3ir6 h LEU 927 CO 0.11 0.36 0.68 0.03 0.09 0.00 0.00 178.44 179.71 3ir6 h ARG 928 N 0.38 0.23 0.01 1.13 3.08 -0.93 0.40 114.38 118.69 3ir6 h ARG 928 Ca 0.11 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 59.93 3ir6 h ARG 928 Cb 0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3ir6 h ARG 928 CO -0.02 0.15 -1.03 0.87 -1.07 0.00 0.00 179.97 178.88 3ir6 h LYS 929 N 0.24 0.02 0.02 0.04 1.57 -1.23 -1.47 116.57 115.75 3ir6 h LYS 929 Ca 0.52 -0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.94 3ir6 h LYS 929 Cb 1.60 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.87 3ir6 h LYS 929 CO -0.15 1.01 -1.90 1.28 -0.57 0.00 0.00 179.45 179.13 3ir6 n LEU 930 N -3.36 1.05 -0.53 2.94 4.77 -0.02 -4.31 117.00 117.54 3ir6 n LEU 930 Ca -0.01 0.30 0.10 0.00 -0.03 0.00 0.00 56.01 56.36 3ir6 n LEU 930 Cb 0.95 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.06 3ir6 n LEU 930 CO 0.48 0.49 0.35 0.59 -1.33 0.00 0.00 177.39 177.97 3ir6 n ASN 931 N -3.06 2.04 -1.00 -1.43 3.02 0.12 -5.06 115.26 109.89 3ir6 n ASN 931 Ca -0.23 -1.52 0.13 0.00 -0.03 0.00 0.00 54.58 52.93 3ir6 n ASN 931 Cb 1.07 0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 40.55 3ir6 n ASN 931 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3ir6 n TYR 932 N 0.23 -2.53 -4.35 3.10 4.01 -0.55 -4.06 117.16 113.01 3ir6 n TYR 932 Ca 0.09 1.28 -0.18 0.00 -0.16 0.00 0.00 57.90 58.94 3ir6 n TYR 932 Cb 0.43 -2.30 -0.10 0.00 -0.31 0.00 0.00 39.34 37.05 3ir6 n TYR 932 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3ir6 s THR 933 N -2.20 0.80 0.02 -0.72 -4.23 -1.26 -1.78 115.64 106.27 3ir6 s THR 933 Ca 0.00 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.20 3ir6 s THR 933 Cb 0.00 -2.61 -0.07 0.00 1.34 0.00 0.00 72.50 71.16 3ir6 s THR 933 CO 0.00 -0.07 1.63 -0.54 -0.54 0.00 0.00 174.62 175.10 3ir6 s LYS 934 N -3.97 4.20 0.36 3.99 -0.14 -0.85 -4.83 119.74 118.50 3ir6 s LYS 934 Ca 0.35 2.25 0.06 0.00 -1.36 0.00 0.00 55.97 57.27 3ir6 s LYS 934 Cb 0.08 -3.74 0.74 0.00 -1.68 0.00 0.00 37.83 33.23 3ir6 s LYS 934 CO 0.13 -0.76 1.95 0.00 -0.76 0.00 0.00 175.35 175.92 3ir6 h ALA 935 N 8.73 1.71 -3.00 5.17 0.00 -1.94 -1.00 119.26 128.93 3ir6 h ALA 935 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ir6 h ALA 935 Cb 1.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ir6 h ALA 935 CO 0.93 0.17 0.00 -0.85 0.00 0.00 0.00 179.25 179.50 3ir6 n GLU 936 N -4.48 0.00 0.00 0.00 0.00 -1.26 -4.82 120.64 110.08 3ir6 n GLU 936 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.27 3ir6 n GLU 936 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.68 3ir6 n GLU 936 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ir6 n GLY 937 N 0.00 -2.37 0.37 -1.84 0.00 -1.26 -3.68 105.19 96.40 3ir6 n GLY 937 Ca 0.00 -1.63 0.19 0.00 0.00 0.00 0.00 46.02 44.59 3ir6 n GLY 937 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ir6 h PRO 938 N 0.00 0.00 -0.52 1.61 0.11 -1.98 -2.41 132.00 128.81 3ir6 h PRO 938 Ca 0.00 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.73 3ir6 h PRO 938 Cb 0.00 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 30.82 3ir6 h PRO 938 CO 0.00 0.00 -0.70 0.00 -0.21 0.00 0.00 178.00 177.09 3ir6 n ALA 939 N -2.35 4.61 -1.71 -0.75 0.00 -1.26 -5.07 120.51 113.99 3ir6 n ALA 939 Ca 0.06 -3.63 -0.42 0.00 0.00 0.00 0.00 53.44 49.44 3ir6 n ALA 939 Cb 0.52 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.62 3ir6 n ALA 939 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ir6 n LYS 940 N -0.84 2.19 -0.08 0.00 4.81 -0.91 -2.18 118.16 121.15 3ir6 n LYS 940 Ca 0.36 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.57 3ir6 n LYS 940 Cb 0.88 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.56 3ir6 n LYS 940 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ir6 n GLY 941 N 0.86 2.20 3.83 3.14 0.00 -0.38 -4.87 105.19 109.97 3ir6 n GLY 941 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3ir6 n GLY 941 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ir6 s GLN 942 N -0.02 3.85 0.71 1.61 -1.52 -0.93 -4.63 119.66 118.73 3ir6 s GLN 942 Ca 0.00 1.05 -0.15 0.00 -1.95 0.00 0.00 55.36 54.31 3ir6 s GLN 942 Cb 0.00 -2.12 0.03 0.00 -0.22 0.00 0.00 33.01 30.70 3ir6 s GLN 942 CO 0.00 -0.36 1.18 -2.14 -0.25 0.00 0.00 175.29 173.73 3ir6 s PRO 943 N -3.91 2.30 0.44 2.91 0.02 -1.26 -2.01 135.00 133.49 3ir6 s PRO 943 Ca 0.61 1.68 -0.02 0.00 0.02 0.00 0.00 61.00 63.28 3ir6 s PRO 943 Cb -0.11 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 3ir6 s PRO 943 CO 0.29 -1.69 0.69 -1.64 -0.33 0.00 0.00 177.00 174.32 3ir6 s MET 944 N -3.94 3.40 -0.40 5.54 -1.94 -0.73 -1.03 119.30 120.19 3ir6 s MET 944 Ca 0.73 -0.12 0.09 0.00 -1.71 0.00 0.00 55.69 54.67 3ir6 s MET 944 Cb -0.27 -2.50 0.29 0.00 2.01 0.00 0.00 34.83 34.35 3ir6 s MET 944 CO 0.44 -0.12 0.68 1.28 -0.01 0.00 0.00 175.02 177.29 3ir6 n LEU 945 N -2.08 -0.18 -0.05 -0.03 4.77 -0.50 -4.66 117.00 114.27 3ir6 n LEU 945 Ca -0.01 -4.55 -0.21 0.00 -0.03 0.00 0.00 56.01 51.21 3ir6 n LEU 945 Cb 0.56 0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 42.24 3ir6 n LEU 945 CO 0.51 2.14 -0.52 0.78 -1.33 0.00 0.00 177.39 178.97 3ir6 h ASN 946 N 3.58 0.19 -1.56 -1.43 2.35 -1.94 -3.39 115.58 113.40 3ir6 h ASN 946 Ca 0.04 -0.73 -0.54 0.00 -0.55 0.00 0.00 56.30 54.52 3ir6 h ASN 946 Cb 0.95 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 39.19 3ir6 h ASN 946 CO 0.43 1.59 -0.46 0.42 -1.65 0.00 0.00 177.43 177.76 3ir6 s THR 947 N -2.43 2.41 0.32 2.81 -4.23 -1.26 -4.99 115.64 108.27 3ir6 s THR 947 Ca -0.25 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 3ir6 s THR 947 Cb 0.05 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 71.09 3ir6 s THR 947 CO 0.68 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.67 3ir6 h ALA 948 N 1.29 1.37 -0.27 3.99 0.00 -1.94 -2.46 119.26 121.25 3ir6 h ALA 948 Ca -0.42 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.37 3ir6 h ALA 948 Cb 1.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3ir6 h ALA 948 CO 0.66 0.47 0.10 0.82 0.00 0.00 0.00 179.25 181.29 3ir6 h ILE 949 N 0.72 0.93 -0.04 0.00 1.08 -1.96 0.34 117.51 118.59 3ir6 h ILE 949 Ca 0.17 -0.08 0.04 0.00 -0.39 0.00 0.00 64.86 64.60 3ir6 h ILE 949 Cb 0.18 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 3ir6 h ILE 949 CO -0.01 0.04 -0.32 0.44 -0.69 0.00 0.00 178.15 177.61 3ir6 h ASP 950 N 0.22 -0.98 -0.82 1.72 3.32 -1.80 0.26 116.42 118.35 3ir6 h ASP 950 Ca 0.12 0.13 0.09 0.00 0.02 0.00 0.00 57.03 57.40 3ir6 h ASP 950 Cb 0.08 0.40 -0.07 0.00 0.22 0.00 0.00 39.33 39.96 3ir6 h ASP 950 CO -0.12 -0.38 0.47 0.00 -1.72 0.00 0.00 179.24 177.49 3ir6 h ALA 951 N 0.30 1.17 -0.48 3.45 0.00 -1.16 0.70 119.26 123.24 3ir6 h ALA 951 Ca 0.07 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3ir6 h ALA 951 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ir6 h ALA 951 CO -0.29 0.09 0.05 0.00 0.00 0.00 0.00 179.25 179.09 3ir6 h ALA 952 N 1.45 0.65 0.00 0.00 0.00 0.79 -1.93 119.26 120.22 3ir6 h ALA 952 Ca 0.40 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3ir6 h ALA 952 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ir6 h ALA 952 CO -0.25 0.41 -0.17 0.93 0.00 0.00 0.00 179.25 180.17 3ir6 h GLU 953 N 0.69 0.00 -0.18 0.00 4.39 0.45 0.82 114.58 120.74 3ir6 h GLU 953 Ca 0.14 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 3ir6 h GLU 953 Cb 0.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3ir6 h GLU 953 CO 0.02 0.17 -0.07 1.98 -1.16 0.00 0.00 179.01 179.94 3ir6 h MET 954 N 0.00 0.37 -0.55 2.33 1.85 -0.24 -0.47 114.93 118.22 3ir6 h MET 954 Ca -0.00 -0.15 -0.03 0.00 -0.61 0.00 0.00 59.70 58.90 3ir6 h MET 954 Cb 0.35 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.34 3ir6 h MET 954 CO 0.02 0.66 0.22 0.82 -0.40 0.00 0.00 176.91 178.23 3ir6 h ILE 955 N 0.06 1.22 -0.20 1.77 2.04 -0.60 -1.50 117.51 120.31 3ir6 h ILE 955 Ca 0.04 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 3ir6 h ILE 955 Cb 0.54 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3ir6 h ILE 955 CO 0.02 0.26 0.02 -0.07 0.00 0.00 0.00 178.15 178.38 3ir6 h LEU 956 N 0.75 0.33 -1.12 1.44 3.38 -0.81 -2.03 115.31 117.25 3ir6 h LEU 956 Ca 0.18 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3ir6 h LEU 956 Cb 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3ir6 h LEU 956 CO -0.02 0.53 -0.33 0.74 0.09 0.00 0.00 178.44 179.45 3ir6 h THR 957 N 0.12 0.87 0.00 0.22 2.02 -1.04 -3.27 112.91 111.83 3ir6 h THR 957 Ca 0.06 -1.34 -0.29 0.00 0.77 0.00 0.00 66.41 65.61 3ir6 h THR 957 Cb 0.35 1.81 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 3ir6 h THR 957 CO 0.01 0.33 -1.65 -0.07 0.37 0.00 0.00 175.52 174.51 3ir6 h LEU 958 N 0.00 0.01 -9.79 2.58 3.38 -1.24 -3.46 115.31 106.79 3ir6 h LEU 958 Ca -0.00 -0.02 -0.49 0.00 0.09 0.00 0.00 57.88 57.46 3ir6 h LEU 958 Cb 0.79 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3ir6 h LEU 958 CO 0.04 1.02 0.36 0.00 0.09 0.00 0.00 178.44 179.96 3ir6 s ALA 959 N -2.61 3.31 0.25 1.53 0.00 -0.77 -4.54 121.76 118.93 3ir6 s ALA 959 Ca -0.04 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 3ir6 s ALA 959 Cb 0.08 -3.22 0.30 0.00 0.00 0.00 0.00 23.12 20.29 3ir6 s ALA 959 CO 0.82 0.15 1.69 -1.00 0.00 0.00 0.00 175.76 177.42 3ir6 h PRO 960 N 3.84 0.65 0.00 0.00 0.13 -1.83 -0.71 132.00 134.08 3ir6 h PRO 960 Ca -0.46 -0.24 -0.00 0.00 -0.87 0.00 0.00 66.00 64.43 3ir6 h PRO 960 Cb 1.20 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3ir6 h PRO 960 CO 0.67 0.81 -0.01 0.93 -0.23 0.00 0.00 178.00 180.17 3ir6 h GLU 961 N 0.57 0.00 0.00 0.86 3.07 -1.89 -2.94 114.58 114.25 3ir6 h GLU 961 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3ir6 h GLU 961 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3ir6 h GLU 961 CO 0.05 0.01 0.00 0.25 -1.40 0.00 0.00 179.01 177.91 3ir6 n THR 962 N -3.45 0.22 -3.62 1.13 -2.24 -0.96 -0.03 114.28 105.33 3ir6 n THR 962 Ca -0.03 -0.58 -0.28 0.00 -2.27 0.00 0.00 64.05 60.89 3ir6 n THR 962 Cb 0.09 0.94 -0.16 0.00 -2.10 0.00 0.00 70.33 69.10 3ir6 n THR 962 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ir6 s ASN 963 N -0.22 3.28 0.60 3.42 3.84 -0.31 -2.10 114.94 123.46 3ir6 s ASN 963 Ca 0.00 -1.14 0.30 0.00 0.21 0.00 0.00 52.86 52.23 3ir6 s ASN 963 Cb 0.00 -0.46 1.62 0.00 -0.55 0.00 0.00 41.25 41.86 3ir6 s ASN 963 CO 0.00 -0.39 1.90 1.23 -2.79 0.00 0.00 177.10 177.05 3ir6 h GLY 964 N 8.32 0.00 1.30 1.21 0.00 -1.46 0.12 103.07 112.56 3ir6 h GLY 964 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.85 3ir6 h GLY 964 CO 0.40 0.00 -1.48 -1.61 0.00 0.00 0.00 176.54 173.85 3ir6 h GLN 965 N 0.00 0.36 0.00 4.80 4.15 -1.77 -2.71 115.11 119.93 3ir6 h GLN 965 Ca 0.00 -0.61 -0.00 0.00 0.77 0.00 0.00 58.65 58.81 3ir6 h GLN 965 Cb 0.51 0.23 -0.00 0.00 0.21 0.00 0.00 27.48 28.43 3ir6 h GLN 965 CO 0.00 1.26 -0.06 0.28 -1.93 0.00 0.00 178.83 178.38 3ir6 h VAL 966 N 0.10 0.03 -0.36 2.39 2.07 -1.44 -3.01 116.25 116.02 3ir6 h VAL 966 Ca -0.23 -1.04 -0.11 0.00 0.82 0.00 0.00 66.70 66.14 3ir6 h VAL 966 Cb 2.06 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.81 3ir6 h VAL 966 CO 0.21 0.02 -0.18 0.00 0.02 0.00 0.00 177.57 177.63 3ir6 h ALA 967 N 1.98 0.51 -0.17 1.67 0.00 -0.83 -2.14 119.26 120.28 3ir6 h ALA 967 Ca -0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 3ir6 h ALA 967 Cb 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ir6 h ALA 967 CO 0.00 0.45 -0.45 0.28 0.00 0.00 0.00 179.25 179.53 3ir6 h VAL 968 N 0.55 1.33 -0.35 0.00 2.07 -1.50 -2.66 116.25 115.70 3ir6 h VAL 968 Ca 0.08 -1.70 0.07 0.00 0.82 0.00 0.00 66.70 65.97 3ir6 h VAL 968 Cb 0.73 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 3ir6 h VAL 968 CO 0.05 0.52 0.24 0.11 0.02 0.00 0.00 177.57 178.52 3ir6 h LYS 969 N 0.28 0.13 0.19 1.57 1.57 -1.53 -0.74 116.57 118.04 3ir6 h LYS 969 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3ir6 h LYS 969 Cb 1.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3ir6 h LYS 969 CO 0.10 0.09 -0.09 0.00 -0.57 0.00 0.00 179.45 178.98 3ir6 h ALA 970 N 1.82 -0.25 0.00 3.86 0.00 -1.22 -2.47 119.26 121.00 3ir6 h ALA 970 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ir6 h ALA 970 Cb 0.46 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ir6 h ALA 970 CO -0.02 -0.38 -0.03 -1.49 0.00 0.00 0.00 179.25 177.33 3ir6 h TRP 971 N -0.78 0.00 -0.09 0.00 4.06 -1.11 -1.20 115.95 116.83 3ir6 h TRP 971 Ca -0.03 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 3ir6 h TRP 971 Cb 0.52 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.67 3ir6 h TRP 971 CO 0.07 0.03 0.03 0.00 -3.56 0.00 0.00 178.44 175.01 3ir6 h ALA 972 N 1.97 0.12 -0.70 1.49 0.00 -1.10 0.08 119.26 121.12 3ir6 h ALA 972 Ca -0.00 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3ir6 h ALA 972 Cb 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3ir6 h ALA 972 CO 0.00 -0.27 0.40 0.00 0.00 0.00 0.00 179.25 179.39 3ir6 h ALA 973 N 0.83 0.94 -0.39 0.00 0.00 -0.77 -2.16 119.26 117.72 3ir6 h ALA 973 Ca 0.03 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3ir6 h ALA 973 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ir6 h ALA 973 CO -0.00 0.09 -0.35 1.25 0.00 0.00 0.00 179.25 180.24 3ir6 h LEU 974 N 0.74 0.95 -1.73 0.00 5.85 -1.21 -3.07 115.31 116.85 3ir6 h LEU 974 Ca 0.31 -0.42 0.27 0.00 0.84 0.00 0.00 57.88 58.88 3ir6 h LEU 974 Cb 0.17 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3ir6 h LEU 974 CO -0.18 1.20 0.69 0.28 -0.34 0.00 0.00 178.44 180.10 3ir6 h SER 975 N 0.75 0.20 0.56 1.25 0.02 -0.30 0.25 113.55 116.27 3ir6 h SER 975 Ca 0.07 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3ir6 h SER 975 Cb 0.93 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 3ir6 h SER 975 CO 0.09 0.05 -0.31 -0.33 -1.14 0.00 0.00 176.83 175.19 3ir6 h GLU 976 N 0.19 -0.77 -0.86 3.45 4.39 -1.43 0.25 114.58 119.80 3ir6 h GLU 976 Ca 0.52 0.05 0.16 0.00 0.34 0.00 0.00 59.36 60.43 3ir6 h GLU 976 Cb 1.69 0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 30.42 3ir6 h GLU 976 CO -0.12 -0.52 0.43 0.74 -1.16 0.00 0.00 179.01 178.38 3ir6 h PHE 977 N -0.80 0.75 0.03 4.33 0.04 -1.09 -2.26 116.94 117.94 3ir6 h PHE 977 Ca -0.07 0.04 -0.31 0.00 2.80 0.00 0.00 57.97 60.42 3ir6 h PHE 977 Cb 0.64 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.54 3ir6 h PHE 977 CO -0.07 0.14 -1.80 0.25 -0.60 0.00 0.00 178.31 176.24 3ir6 n THR 978 N -4.90 1.65 -0.80 -1.55 -2.24 -1.00 -2.33 114.28 103.11 3ir6 n THR 978 Ca 0.18 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3ir6 n THR 978 Cb 0.47 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 3ir6 n THR 978 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ir6 n GLY 979 N 1.67 0.60 3.30 3.38 0.00 0.87 -4.23 105.19 110.78 3ir6 n GLY 979 Ca -0.21 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3ir6 n GLY 979 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ir6 s ARG 980 N -0.22 2.47 -0.01 1.61 0.52 -1.24 -5.04 118.95 117.03 3ir6 s ARG 980 Ca 0.00 -0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 54.02 3ir6 s ARG 980 Cb 0.00 -2.17 -0.05 0.00 0.52 0.00 0.00 34.95 33.26 3ir6 s ARG 980 CO 0.00 0.44 1.27 0.34 0.02 0.00 0.00 175.30 177.37 3ir6 s ASP 981 N -0.30 6.98 0.00 0.23 2.15 -1.26 -4.50 116.67 119.97 3ir6 s ASP 981 Ca 0.01 1.96 0.01 0.00 0.43 0.00 0.00 52.55 54.96 3ir6 s ASP 981 Cb -0.13 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 3ir6 s ASP 981 CO 0.02 -0.61 0.36 1.41 -0.17 0.00 0.00 175.17 176.18 3ir6 n HIS 982 N 5.02 0.00 0.30 -5.34 8.25 -1.26 -4.70 115.22 117.49 3ir6 n HIS 982 Ca 0.11 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.74 3ir6 n HIS 982 Cb 0.45 0.00 0.93 0.00 1.12 0.00 0.00 29.99 32.50 3ir6 n HIS 982 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3ir6 h THR 983 N 0.15 0.33 0.00 1.59 1.35 -1.89 -2.00 112.91 112.44 3ir6 h THR 983 Ca 0.00 -0.21 -0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3ir6 h THR 983 Cb 0.04 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3ir6 h THR 983 CO 0.00 0.04 -0.02 1.12 -0.25 0.00 0.00 175.52 176.40 3ir6 h HIS 984 N 0.00 0.00 0.00 4.73 2.07 -1.99 0.05 115.15 120.01 3ir6 h HIS 984 Ca -0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 3ir6 h HIS 984 Cb 0.15 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.12 3ir6 h HIS 984 CO 0.00 0.02 -0.13 -0.07 -3.07 0.00 0.00 177.93 174.68 3ir6 h LEU 985 N 0.00 0.00 0.00 6.12 3.38 -1.73 -3.31 115.31 119.78 3ir6 h LEU 985 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ir6 h LEU 985 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ir6 h LEU 985 CO 0.00 0.13 -0.89 0.00 0.09 0.00 0.00 178.44 177.78 3ir6 n ALA 986 N -2.32 2.00 -0.33 1.53 0.00 -0.40 -4.66 120.51 116.34 3ir6 n ALA 986 Ca -0.02 -0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.61 3ir6 n ALA 986 Cb 0.24 -0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.08 3ir6 n ALA 986 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ir6 h LEU 987 N 0.00 0.42 -1.04 0.00 3.38 -1.13 -0.86 115.31 116.08 3ir6 h LEU 987 Ca 0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3ir6 h LEU 987 Cb 0.00 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ir6 h LEU 987 CO 0.00 -0.07 0.00 -0.46 0.09 0.00 0.00 178.44 178.00 3ir6 n ASN 988 N -5.05 1.26 -0.05 -0.43 6.94 -1.26 -2.86 115.26 113.81 3ir6 n ASN 988 Ca 0.27 -2.08 0.00 0.00 -0.02 0.00 0.00 54.58 52.75 3ir6 n ASN 988 Cb 0.83 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 3ir6 n ASN 988 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3ir6 n LYS 989 N -0.01 0.00 0.22 -3.83 5.02 -0.35 -4.92 118.16 114.28 3ir6 n LYS 989 Ca 0.03 -0.48 0.13 0.00 -2.02 0.00 0.00 58.31 55.97 3ir6 n LYS 989 Cb 0.29 -0.43 0.73 0.00 -0.02 0.00 0.00 35.03 35.59 3ir6 n LYS 989 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3ir6 h GLU 990 N 0.00 0.00 0.00 1.97 4.81 -1.34 -1.35 114.58 118.66 3ir6 h GLU 990 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ir6 h GLU 990 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3ir6 h GLU 990 CO 0.00 0.00 -0.03 -3.47 -0.73 0.00 0.00 179.01 174.78 3ir6 n ASP 991 N -4.26 0.31 -4.73 1.04 2.03 -1.26 -3.28 116.55 106.40 3ir6 n ASP 991 Ca -0.00 0.49 -0.42 0.00 0.52 0.00 0.00 54.79 55.38 3ir6 n ASP 991 Cb 0.21 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 3ir6 n ASP 991 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3ir6 s GLU 992 N -3.04 4.33 -0.19 -0.67 2.56 -0.51 -4.94 118.70 116.24 3ir6 s GLU 992 Ca 0.13 2.14 -0.04 0.00 0.00 0.00 0.00 54.97 57.19 3ir6 s GLU 992 Cb 0.17 -3.19 0.09 0.00 2.00 0.00 0.00 34.13 33.20 3ir6 s GLU 992 CO 0.56 -0.38 0.28 0.15 -0.56 0.00 0.00 175.26 175.32 3ir6 s LYS 993 N 0.33 0.22 -0.15 4.30 1.02 -1.26 -1.54 119.74 122.65 3ir6 s LYS 993 Ca 0.61 0.52 -0.25 0.00 0.02 0.00 0.00 55.97 56.87 3ir6 s LYS 993 Cb -0.38 -0.53 -0.02 0.00 -0.52 0.00 0.00 37.83 36.38 3ir6 s LYS 993 CO 0.36 -0.50 0.83 0.42 -0.92 0.00 0.00 175.35 175.54 3ir6 s ILE 994 N 2.43 4.90 -0.02 2.17 1.01 -0.89 -5.04 121.20 125.75 3ir6 s ILE 994 Ca 0.06 1.64 0.02 0.00 0.00 0.00 0.00 60.65 62.36 3ir6 s ILE 994 Cb -0.14 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 3ir6 s ILE 994 CO -0.12 0.06 -0.04 -0.13 0.00 0.00 0.00 174.94 174.70 3ir6 s ARG 995 N 1.95 2.69 0.27 2.79 1.81 -1.26 -4.67 118.95 122.53 3ir6 s ARG 995 Ca 0.39 -0.63 -0.01 0.00 -1.72 0.00 0.00 55.73 53.76 3ir6 s ARG 995 Cb -0.17 -2.59 0.55 0.00 -0.45 0.00 0.00 34.95 32.30 3ir6 s ARG 995 CO 0.14 0.63 1.75 0.35 -0.68 0.00 0.00 175.30 177.49 3ir6 h PHE 996 N 4.68 0.73 0.00 -0.53 3.57 -1.95 0.30 116.94 123.74 3ir6 h PHE 996 Ca -0.49 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.05 3ir6 h PHE 996 Cb 1.17 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.72 3ir6 h PHE 996 CO 0.59 0.14 0.00 0.00 -2.23 0.00 0.00 178.31 176.81 3ir6 h ARG 997 N 0.58 0.00 0.06 1.11 3.08 -2.00 -2.64 114.38 114.56 3ir6 h ARG 997 Ca 0.47 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.41 3ir6 h ARG 997 Cb 0.71 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.77 3ir6 h ARG 997 CO -0.39 0.00 -0.46 -0.44 -1.07 0.00 0.00 179.97 177.62 3ir6 h ASP 998 N 0.00 0.30 0.57 7.04 3.32 -0.81 -3.17 116.42 123.67 3ir6 h ASP 998 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.15 3ir6 h ASP 998 Cb 0.42 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3ir6 h ASP 998 CO 0.00 1.18 0.00 2.30 -1.72 0.00 0.00 179.24 181.00 3ir6 n ILE 999 N -4.34 0.94 0.06 0.35 -5.35 -0.82 -1.78 119.36 108.41 3ir6 n ILE 999 Ca -0.12 0.30 -0.07 0.00 -0.27 0.00 0.00 62.75 62.59 3ir6 n ILE 999 Cb 0.65 -1.20 0.08 0.00 -1.74 0.00 0.00 39.64 37.42 3ir6 n ILE 999 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3ir6 h GLN 1000N 0.00 0.34 0.00 6.28 4.20 -1.45 -3.18 115.11 121.30 3ir6 h GLN 1000Ca 0.00 -0.25 -0.15 0.00 0.06 0.00 0.00 58.65 58.31 3ir6 h GLN 1000Cb 0.29 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3ir6 h GLN 1000CO 0.00 0.87 -1.00 0.00 -0.67 0.00 0.00 178.83 178.03 3ir6 h ALA 1001N 1.07 0.63 -1.42 3.87 0.00 -1.40 -3.46 119.26 118.55 3ir6 h ALA 1001Ca -0.01 -0.72 0.13 0.00 0.00 0.00 0.00 54.91 54.31 3ir6 h ALA 1001Cb 1.17 0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.77 3ir6 h ALA 1001CO 0.11 0.86 0.48 -1.14 0.00 0.00 0.00 179.25 179.56 3ir6 s GLN 1002N -2.90 0.31 0.24 0.00 0.74 -0.95 -5.13 119.66 111.97 3ir6 s GLN 1002Ca 0.00 0.51 -0.31 0.00 0.05 0.00 0.00 55.36 55.62 3ir6 s GLN 1002Cb 0.08 0.07 -0.13 0.00 1.10 0.00 0.00 33.01 34.13 3ir6 s GLN 1002CO 0.79 -0.06 1.44 -2.30 -0.55 0.00 0.00 175.29 174.60 3ir6 n PRO 1003N 3.45 2.11 -4.42 1.67 -0.02 -1.25 -4.04 135.00 132.50 3ir6 n PRO 1003Ca -0.18 0.75 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 3ir6 n PRO 1003Cb 0.57 -2.43 -0.12 0.00 -0.02 0.00 0.00 33.50 31.50 3ir6 n PRO 1003CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ir6 s ARG 1004N -0.32 3.59 0.47 -0.52 1.81 -1.21 -4.54 118.95 118.23 3ir6 s ARG 1004Ca 0.68 -0.52 -0.23 0.00 -1.72 0.00 0.00 55.73 53.94 3ir6 s ARG 1004Cb -0.64 -2.88 -0.07 0.00 -0.45 0.00 0.00 34.95 30.91 3ir6 s ARG 1004CO 0.49 0.29 1.23 0.21 -0.68 0.00 0.00 175.30 176.84 3ir6 s LYS 1005N 0.24 3.64 0.68 3.54 2.20 -1.26 -1.65 119.74 127.13 3ir6 s LYS 1005Ca -0.03 1.95 -0.03 0.00 -0.36 0.00 0.00 55.97 57.49 3ir6 s LYS 1005Cb -0.14 -2.42 0.08 0.00 -1.51 0.00 0.00 37.83 33.84 3ir6 s LYS 1005CO 0.03 -0.70 0.96 0.96 -0.36 0.00 0.00 175.35 176.24 3ir6 s ILE 1006N -1.44 2.33 -0.01 5.43 -0.00 -0.69 -4.91 121.20 121.91 3ir6 s ILE 1006Ca 0.64 -0.45 -0.17 0.00 -0.00 0.00 0.00 60.65 60.68 3ir6 s ILE 1006Cb -0.33 -2.88 -0.06 0.00 -0.00 0.00 0.00 42.46 39.20 3ir6 s ILE 1006CO 0.40 0.00 0.46 -0.63 -0.00 0.00 0.00 174.94 175.17 3ir6 s ILE 1007N -3.13 5.00 0.20 8.37 -1.09 0.96 -4.82 121.20 126.70 3ir6 s ILE 1007Ca 0.62 0.95 -0.32 0.00 -2.23 0.00 0.00 60.65 59.66 3ir6 s ILE 1007Cb -0.09 -3.78 -0.13 0.00 -1.58 0.00 0.00 42.46 36.89 3ir6 s ILE 1007CO 0.43 0.52 1.58 -1.20 -1.23 0.00 0.00 174.94 175.04 3ir6 n SER 1008N 2.23 3.33 -4.10 3.58 7.64 -1.26 -4.27 113.62 120.76 3ir6 n SER 1008Ca -0.12 1.10 -0.13 0.00 1.01 0.00 0.00 58.87 60.73 3ir6 n SER 1008Cb 0.52 -1.48 -0.11 0.00 -1.01 0.00 0.00 64.21 62.13 3ir6 n SER 1008CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3ir6 s SER 1009N 0.80 1.04 0.00 6.43 0.15 -1.26 -4.76 113.70 116.10 3ir6 s SER 1009Ca 0.74 -0.63 0.11 0.00 0.70 0.00 0.00 55.95 56.87 3ir6 s SER 1009Cb -0.61 0.03 0.49 0.00 -1.71 0.00 0.00 66.02 64.21 3ir6 s SER 1009CO 0.40 -0.22 1.32 -0.81 1.20 0.00 0.00 173.24 175.12 3ir6 n PRO 1010N 1.19 0.04 0.25 5.44 -0.04 -1.26 -1.54 135.00 139.08 3ir6 n PRO 1010Ca -0.21 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 3ir6 n PRO 1010Cb 0.56 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.12 3ir6 n PRO 1010CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3ir6 h THR 1011N 0.00 0.38 -3.04 0.52 2.02 -1.95 -3.44 112.91 107.40 3ir6 h THR 1011Ca 0.00 -0.79 -0.42 0.00 0.77 0.00 0.00 66.41 65.97 3ir6 h THR 1011Cb 0.16 1.58 -0.14 0.00 -1.74 0.00 0.00 68.15 68.01 3ir6 h THR 1011CO 0.00 0.13 -0.67 0.26 0.37 0.00 0.00 175.52 175.61 3ir6 s TRP 1012N -3.79 1.70 -1.30 3.16 0.52 -0.59 -5.05 118.94 113.60 3ir6 s TRP 1012Ca -0.00 -0.82 0.14 0.00 0.02 0.00 0.00 56.10 55.44 3ir6 s TRP 1012Cb 0.11 -0.97 0.01 0.00 -1.15 0.00 0.00 33.47 31.46 3ir6 s TRP 1012CO 0.59 0.10 0.78 -1.13 0.02 0.00 0.00 176.95 177.31 3ir6 n SER 1013N -0.47 1.53 -4.98 2.95 3.41 -1.26 -4.73 113.62 110.06 3ir6 n SER 1013Ca -0.06 -1.26 -0.20 0.00 -0.26 0.00 0.00 58.87 57.09 3ir6 n SER 1013Cb 0.63 0.42 0.03 0.00 -0.26 0.00 0.00 64.21 65.04 3ir6 n SER 1013CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ir6 s GLY 1014N -1.63 1.86 0.10 5.00 0.00 -1.25 -0.85 107.32 110.55 3ir6 s GLY 1014Ca 0.12 -1.42 0.10 0.00 0.00 0.00 0.00 44.72 43.51 3ir6 s GLY 1014CO 0.33 -1.16 -0.25 1.08 0.00 0.00 0.00 173.10 173.09 3ir6 s LEU 1015N -4.66 2.28 -0.56 0.66 1.43 -1.26 -4.76 118.68 111.80 3ir6 s LEU 1015Ca 0.57 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 3ir6 s LEU 1015Cb -0.10 -1.13 0.12 0.00 0.03 0.00 0.00 46.19 45.11 3ir6 s LEU 1015CO 0.37 0.16 0.59 -1.61 0.23 0.00 0.00 176.35 176.09 3ir6 s GLU 1016N -1.84 3.02 0.14 1.70 0.41 -1.26 -3.20 118.70 117.67 3ir6 s GLU 1016Ca 0.11 -1.56 -0.07 0.00 -0.41 0.00 0.00 54.97 53.05 3ir6 s GLU 1016Cb -0.10 -4.29 -0.02 0.00 -1.78 0.00 0.00 34.13 27.95 3ir6 s GLU 1016CO 0.05 -1.42 0.20 0.34 -0.49 0.00 0.00 175.26 173.94 3ir6 s ASP 1017N 3.60 0.13 0.00 -0.19 2.15 -1.25 -4.62 116.67 116.49 3ir6 s ASP 1017Ca 0.07 -0.91 0.23 0.00 0.43 0.00 0.00 52.55 52.37 3ir6 s ASP 1017Cb -0.27 0.38 0.16 0.00 -0.30 0.00 0.00 42.92 42.89 3ir6 s ASP 1017CO 0.04 -0.82 1.18 -0.62 -0.17 0.00 0.00 175.17 174.78 3ir6 n GLU 1018N -0.15 0.42 -0.01 4.34 -0.58 -1.26 -4.29 120.64 119.12 3ir6 n GLU 1018Ca -0.09 -0.32 0.03 0.00 -0.42 0.00 0.00 57.16 56.37 3ir6 n GLU 1018Cb 0.63 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.94 3ir6 n GLU 1018CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ir6 n HIS 1019N -1.01 0.00 -4.49 -0.32 8.25 -1.26 -4.87 115.22 111.52 3ir6 n HIS 1019Ca 0.07 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.31 3ir6 n HIS 1019Cb 0.37 -0.20 -0.14 0.00 1.12 0.00 0.00 29.99 31.14 3ir6 n HIS 1019CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ir6 s VAL 1020N -2.51 1.18 0.90 1.59 0.11 -1.26 -5.15 120.40 115.25 3ir6 s VAL 1020Ca -0.03 -0.88 -0.13 0.00 -2.93 0.00 0.00 61.98 58.01 3ir6 s VAL 1020Cb 0.05 -1.03 0.14 0.00 -1.53 0.00 0.00 36.38 34.01 3ir6 s VAL 1020CO 0.32 0.14 1.19 -0.44 -3.33 0.00 0.00 175.10 172.98 3ir6 s SER 1021N -0.85 3.64 -0.54 3.54 0.01 -1.26 -3.94 113.70 114.31 3ir6 s SER 1021Ca 0.04 0.74 -0.27 0.00 1.31 0.00 0.00 55.95 57.76 3ir6 s SER 1021Cb -0.07 -1.16 0.03 0.00 0.21 0.00 0.00 66.02 65.03 3ir6 s SER 1021CO 0.01 -2.45 1.11 -0.47 0.41 0.00 0.00 173.24 171.85 3ir6 s TYR 1022N -3.49 2.72 -0.13 2.43 5.04 -1.19 -4.32 117.35 118.41 3ir6 s TYR 1022Ca 0.65 0.42 0.01 0.00 -2.44 0.00 0.00 57.07 55.71 3ir6 s TYR 1022Cb -0.11 -4.37 0.02 0.00 0.35 0.00 0.00 41.96 37.84 3ir6 s TYR 1022CO 0.52 -1.43 -0.16 1.21 -1.34 0.00 0.00 175.55 174.36 3ir6 s ASN 1023N 2.75 2.63 0.28 4.32 3.84 -1.26 -1.59 114.94 125.91 3ir6 s ASN 1023Ca 0.42 -0.48 -0.30 0.00 0.21 0.00 0.00 52.86 52.71 3ir6 s ASN 1023Cb -0.08 -1.18 -0.12 0.00 -0.55 0.00 0.00 41.25 39.32 3ir6 s ASN 1023CO 0.26 -0.00 1.53 0.00 -2.79 0.00 0.00 177.10 176.10 3ir6 n ALA 1024N 4.42 2.08 -0.69 1.71 0.00 -1.26 -2.07 120.51 124.69 3ir6 n ALA 1024Ca -0.18 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3ir6 n ALA 1024Cb 0.51 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3ir6 n ALA 1024CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ir6 n GLY 1025N 2.11 0.89 0.30 0.00 0.00 -1.24 -2.92 105.19 104.34 3ir6 n GLY 1025Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 3ir6 n GLY 1025CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ir6 h TYR 1026N 0.00 0.96 -0.04 1.61 3.20 -1.01 -1.45 116.97 120.24 3ir6 h TYR 1026Ca 0.00 -0.12 -0.10 0.00 3.14 0.00 0.00 58.73 61.65 3ir6 h TYR 1026Cb 0.00 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 3ir6 h TYR 1026CO 0.00 0.83 -0.44 1.79 -1.64 0.00 0.00 178.16 178.70 3ir6 h THR 1027N 0.86 1.32 0.03 1.81 1.35 -1.26 0.18 112.91 117.20 3ir6 h THR 1027Ca 0.18 -1.54 -0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3ir6 h THR 1027Cb 0.40 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3ir6 h THR 1027CO 0.01 0.45 -0.01 0.78 -0.25 0.00 0.00 175.52 176.49 3ir6 h ASN 1028N 0.07 -0.03 0.57 5.36 4.21 -1.55 0.20 115.58 124.40 3ir6 h ASN 1028Ca 0.00 -0.38 -0.15 0.00 1.21 0.00 0.00 56.30 56.99 3ir6 h ASN 1028Cb 0.80 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 38.00 3ir6 h ASN 1028CO 0.06 0.37 -0.68 0.58 -1.29 0.00 0.00 177.43 176.47 3ir6 h VAL 1029N -0.43 1.46 0.00 2.81 2.07 -1.20 -2.40 116.25 118.55 3ir6 h VAL 1029Ca -0.00 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3ir6 h VAL 1029Cb 0.41 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3ir6 h VAL 1029CO 0.01 0.65 -1.55 1.41 0.02 0.00 0.00 177.57 178.11 3ir6 n HIS 1030N -3.77 0.00 -0.03 1.57 8.25 0.63 -4.38 115.22 117.49 3ir6 n HIS 1030Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3ir6 n HIS 1030Cb 0.67 -0.29 0.01 0.00 1.12 0.00 0.00 29.99 31.49 3ir6 n HIS 1030CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3ir6 n GLU 1031N -1.93 2.96 -3.37 -0.41 -0.58 0.05 -4.99 120.64 112.37 3ir6 n GLU 1031Ca -0.01 -1.55 -0.23 0.00 -0.42 0.00 0.00 57.16 54.95 3ir6 n GLU 1031Cb 0.43 -1.02 -0.00 0.00 -0.57 0.00 0.00 31.44 30.27 3ir6 n GLU 1031CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3ir6 n LEU 1032N -0.47 -1.60 -4.74 -4.62 4.32 -0.91 -4.87 117.00 104.11 3ir6 n LEU 1032Ca 0.01 -0.40 -0.40 0.00 -0.02 0.00 0.00 56.01 55.20 3ir6 n LEU 1032Cb 0.27 -2.16 -0.05 0.00 -1.62 0.00 0.00 43.42 39.86 3ir6 n LEU 1032CO 0.00 0.16 0.41 -0.63 -1.22 0.00 0.00 177.39 176.12 3ir6 s ILE 1033N -2.95 4.88 0.69 -0.08 1.01 -1.17 0.40 121.20 123.98 3ir6 s ILE 1033Ca 0.40 1.49 -0.16 0.00 0.00 0.00 0.00 60.65 62.39 3ir6 s ILE 1033Cb -0.21 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.22 3ir6 s ILE 1033CO 0.50 0.33 1.18 -2.84 0.00 0.00 0.00 174.94 174.11 3ir6 s PRO 1034N 0.24 2.47 -0.16 2.79 0.02 -1.26 -4.22 135.00 134.87 3ir6 s PRO 1034Ca 0.37 1.67 -0.23 0.00 0.02 0.00 0.00 61.00 62.83 3ir6 s PRO 1034Cb -0.19 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 3ir6 s PRO 1034CO 0.20 -1.56 0.71 -1.58 -0.33 0.00 0.00 177.00 174.44 3ir6 s TRP 1035N -2.02 3.43 0.00 6.54 0.51 0.02 -4.91 118.94 122.51 3ir6 s TRP 1035Ca 0.73 1.10 -0.25 0.00 -2.12 0.00 0.00 56.10 55.56 3ir6 s TRP 1035Cb -0.27 -2.87 -0.30 0.00 -0.81 0.00 0.00 33.47 29.22 3ir6 s TRP 1035CO 0.42 -0.14 1.39 0.54 -0.51 0.00 0.00 176.95 178.65 3ir6 n ARG 1036N 4.86 0.00 -4.19 4.98 3.00 -1.23 -4.04 116.66 120.05 3ir6 n ARG 1036Ca 0.01 -0.83 -0.11 0.00 -0.01 0.00 0.00 57.85 56.90 3ir6 n ARG 1036Cb 0.50 -2.25 -0.10 0.00 0.00 0.00 0.00 32.46 30.60 3ir6 n ARG 1036CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3ir6 s THR 1037N 6.28 0.55 0.15 0.55 -4.23 -1.26 -4.04 115.64 113.64 3ir6 s THR 1037Ca 0.55 -1.94 -0.31 0.00 -1.18 0.00 0.00 61.69 58.80 3ir6 s THR 1037Cb 0.12 -1.94 -0.08 0.00 1.34 0.00 0.00 72.50 71.94 3ir6 s THR 1037CO 0.28 -0.63 1.54 0.25 -0.54 0.00 0.00 174.62 175.53 3ir6 h LEU 1038N 2.84 -2.09 0.00 4.79 5.85 -1.91 0.16 115.31 124.95 3ir6 h LEU 1038Ca -0.36 0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3ir6 h LEU 1038Cb 1.19 0.91 0.00 0.00 0.37 0.00 0.00 40.66 43.13 3ir6 h LEU 1038CO 0.63 -0.28 -0.00 -1.54 -0.34 0.00 0.00 178.44 176.91 3ir6 n SER 1039N -5.28 0.12 0.00 1.25 3.41 -1.26 -0.37 113.62 111.49 3ir6 n SER 1039Ca 0.01 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 3ir6 n SER 1039Cb 0.28 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3ir6 n SER 1039CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ir6 n GLY 1040N 1.47 2.01 3.86 5.00 0.00 0.56 -3.32 105.19 114.77 3ir6 n GLY 1040Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3ir6 n GLY 1040CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ir6 s ARG 1041N -0.02 2.24 -0.17 1.61 3.00 -1.26 -0.80 118.95 123.55 3ir6 s ARG 1041Ca 0.00 -2.15 -0.29 0.00 0.00 0.00 0.00 55.73 53.29 3ir6 s ARG 1041Cb 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 34.95 33.00 3ir6 s ARG 1041CO 0.00 -0.54 1.80 -0.65 0.00 0.00 0.00 175.30 175.91 3ir6 s GLN 1042N -4.15 3.74 -0.65 3.54 -0.21 -0.16 -4.75 119.66 117.02 3ir6 s GLN 1042Ca 0.24 1.92 -0.28 0.00 0.02 0.00 0.00 55.36 57.26 3ir6 s GLN 1042Cb -0.01 -4.12 0.03 0.00 1.00 0.00 0.00 33.01 29.91 3ir6 s GLN 1042CO 0.15 -1.38 1.23 -0.65 -2.12 0.00 0.00 175.29 172.51 3ir6 s GLN 1043N 4.95 3.36 0.05 2.91 -1.52 -0.60 -2.20 119.66 126.61 3ir6 s GLN 1043Ca 0.80 0.02 0.11 0.00 -1.95 0.00 0.00 55.36 54.34 3ir6 s GLN 1043Cb -0.30 -4.09 -0.20 0.00 -0.22 0.00 0.00 33.01 28.20 3ir6 s GLN 1043CO 0.33 -1.89 0.97 -0.07 -0.25 0.00 0.00 175.29 174.38 3ir6 h LEU 1044N 12.40 0.00 -8.64 2.90 4.07 -1.90 -3.40 115.31 120.75 3ir6 h LEU 1044Ca -0.26 0.00 -0.66 0.00 0.08 0.00 0.00 57.88 57.04 3ir6 h LEU 1044Cb 1.05 0.00 -0.22 0.00 1.08 0.00 0.00 40.66 42.57 3ir6 h LEU 1044CO 1.23 0.94 -0.60 -0.47 -1.08 0.00 0.00 178.44 178.45 3ir6 s TYR 1045N -2.69 3.12 -0.57 1.13 5.04 -1.26 -4.61 117.35 117.51 3ir6 s TYR 1045Ca -0.02 -0.43 -0.18 0.00 -2.44 0.00 0.00 57.07 54.00 3ir6 s TYR 1045Cb 0.09 -2.28 0.10 0.00 0.35 0.00 0.00 41.96 40.22 3ir6 s TYR 1045CO 0.82 -0.37 0.65 -0.65 -1.34 0.00 0.00 175.55 174.66 3ir6 s GLN 1046N 1.62 3.04 -0.25 4.97 -1.52 -0.42 -4.94 119.66 122.17 3ir6 s GLN 1046Ca 0.06 -1.33 0.10 0.00 -1.95 0.00 0.00 55.36 52.23 3ir6 s GLN 1046Cb -0.16 -4.25 0.67 0.00 -0.22 0.00 0.00 33.01 29.05 3ir6 s GLN 1046CO 0.05 -1.45 1.62 -0.40 -0.25 0.00 0.00 175.29 174.85 3ir6 n ASP 1047N 6.10 4.70 -4.73 5.90 5.75 -1.26 -4.21 116.55 128.80 3ir6 n ASP 1047Ca -0.10 -2.93 -0.39 0.00 -0.01 0.00 0.00 54.79 51.35 3ir6 n ASP 1047Cb 0.42 -0.69 -0.05 0.00 -1.03 0.00 0.00 41.12 39.77 3ir6 n ASP 1047CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3ir6 s HIS 1048N -2.57 3.60 0.00 2.11 2.46 -1.26 -4.46 115.29 115.16 3ir6 s HIS 1048Ca 0.47 1.22 0.00 0.00 0.47 0.00 0.00 55.06 57.22 3ir6 s HIS 1048Cb 0.37 -2.75 0.00 0.00 -0.13 0.00 0.00 32.58 30.07 3ir6 s HIS 1048CO 0.12 0.15 0.31 0.94 -2.47 0.00 0.00 174.74 173.79 3ir6 n GLN 1049N 3.53 0.00 -0.35 2.88 7.27 -1.26 0.77 117.38 130.21 3ir6 n GLN 1049Ca -0.03 0.31 0.25 0.00 0.07 0.00 0.00 57.00 57.60 3ir6 n GLN 1049Cb 0.51 -0.47 0.52 0.00 2.41 0.00 0.00 30.24 33.21 3ir6 n GLN 1049CO 0.00 0.00 0.00 -1.49 0.07 0.00 0.00 177.06 175.64 3ir6 h TRP 1050N 0.00 0.71 -0.17 3.69 4.06 -1.97 -0.41 115.95 121.86 3ir6 h TRP 1050Ca 0.00 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 60.88 3ir6 h TRP 1050Cb 0.00 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 27.96 3ir6 h TRP 1050CO -0.26 -0.03 -0.26 0.52 -3.56 0.00 0.00 178.44 174.85 3ir6 h MET 1051N 0.34 0.47 -0.43 0.49 2.86 0.04 -1.87 114.93 116.83 3ir6 h MET 1051Ca 0.67 -0.29 -0.09 0.00 -2.06 0.00 0.00 59.70 57.93 3ir6 h MET 1051Cb 1.72 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.39 3ir6 h MET 1051CO -0.38 0.88 -0.08 0.00 1.06 0.00 0.00 176.91 178.38 3ir6 h ARG 1052N 0.11 0.75 0.00 1.72 3.08 -0.38 -0.51 114.38 119.16 3ir6 h ARG 1052Ca 0.01 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3ir6 h ARG 1052Cb 0.84 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3ir6 h ARG 1052CO 0.06 0.82 -0.10 -0.25 -1.07 0.00 0.00 179.97 179.43 3ir6 n ASP 1053N -4.18 0.83 -1.56 7.04 8.00 -0.30 -2.90 116.55 123.49 3ir6 n ASP 1053Ca 0.02 0.50 0.09 0.00 0.71 0.00 0.00 54.79 56.11 3ir6 n ASP 1053Cb 0.34 -0.65 0.35 0.00 -0.02 0.00 0.00 41.12 41.15 3ir6 n ASP 1053CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ir6 n PHE 1054N -2.27 1.43 -1.02 1.24 3.72 -0.71 0.01 117.46 119.86 3ir6 n PHE 1054Ca 0.05 -0.58 -0.01 0.00 -0.05 0.00 0.00 57.45 56.87 3ir6 n PHE 1054Cb 0.44 -0.22 -0.00 0.00 -0.94 0.00 0.00 39.48 38.75 3ir6 n PHE 1054CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ir6 n GLY 1055N 1.19 0.44 1.62 1.37 0.00 -1.14 -4.45 105.19 104.21 3ir6 n GLY 1055Ca 0.25 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 3ir6 n GLY 1055CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ir6 n GLU 1056N -2.18 2.24 -0.17 1.61 1.02 -0.21 -4.58 120.64 118.36 3ir6 n GLU 1056Ca -0.01 -3.30 -0.09 0.00 -0.02 0.00 0.00 57.16 53.74 3ir6 n GLU 1056Cb 0.13 -2.00 0.01 0.00 -0.02 0.00 0.00 31.44 29.55 3ir6 n GLU 1056CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3ir6 h SER 1057N 1.28 0.76 -4.24 1.62 4.64 -1.75 -3.42 113.55 112.43 3ir6 h SER 1057Ca 0.37 -0.24 -0.47 0.00 -0.47 0.00 0.00 61.79 60.98 3ir6 h SER 1057Cb 1.76 -0.20 -0.21 0.00 -0.31 0.00 0.00 62.40 63.44 3ir6 h SER 1057CO 0.73 0.80 -0.79 -0.76 -0.87 0.00 0.00 176.83 175.94 3ir6 s LEU 1058N -9.59 2.32 0.44 5.97 1.43 -1.26 -1.30 118.68 116.69 3ir6 s LEU 1058Ca -0.13 -0.69 -0.25 0.00 -1.03 0.00 0.00 54.13 52.03 3ir6 s LEU 1058Cb 0.11 -0.66 -0.08 0.00 0.03 0.00 0.00 46.19 45.60 3ir6 s LEU 1058CO 0.80 -0.05 1.35 -1.48 0.23 0.00 0.00 176.35 177.20 3ir6 s LEU 1059N -1.99 4.13 -0.02 1.79 2.34 -1.26 -5.02 118.68 118.64 3ir6 s LEU 1059Ca 0.04 2.75 -0.13 0.00 0.06 0.00 0.00 54.13 56.85 3ir6 s LEU 1059Cb -0.09 -3.97 0.02 0.00 -0.56 0.00 0.00 46.19 41.59 3ir6 s LEU 1059CO 0.03 -1.06 0.27 0.68 -1.06 0.00 0.00 176.35 175.22 3ir6 s VAL 1060N -1.26 0.06 0.38 1.48 -7.23 -1.26 -5.04 120.40 107.53 3ir6 s VAL 1060Ca 0.60 -0.49 -0.28 0.00 -1.81 0.00 0.00 61.98 60.00 3ir6 s VAL 1060Cb -0.40 -0.56 -0.10 0.00 0.56 0.00 0.00 36.38 35.87 3ir6 s VAL 1060CO 0.51 -0.27 1.44 -0.47 -0.31 0.00 0.00 175.10 176.00 3ir6 s TYR 1061N -1.25 2.67 -0.21 2.82 5.04 -1.26 -4.92 117.35 120.24 3ir6 s TYR 1061Ca -0.13 1.23 -0.04 0.00 -2.44 0.00 0.00 57.07 55.69 3ir6 s TYR 1061Cb -0.06 -3.94 0.07 0.00 0.35 0.00 0.00 41.96 38.39 3ir6 s TYR 1061CO 0.03 -2.74 0.09 1.03 -1.34 0.00 0.00 175.55 172.62 3ir6 s ARG 1062N -2.08 0.29 0.71 4.97 1.81 -1.26 -4.05 118.95 119.33 3ir6 s ARG 1062Ca 0.53 -0.34 -0.16 0.00 -1.72 0.00 0.00 55.73 54.04 3ir6 s ARG 1062Cb -0.45 -1.76 0.00 0.00 -0.45 0.00 0.00 34.95 32.30 3ir6 s ARG 1062CO 0.60 -0.76 1.02 -0.35 -0.68 0.00 0.00 175.30 175.12 3ir6 n PRO 1063N 5.18 0.58 -1.69 3.54 -0.04 -1.26 -4.88 135.00 136.43 3ir6 n PRO 1063Ca -0.07 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 3ir6 n PRO 1063Cb 0.46 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3ir6 n PRO 1063CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3ir6 n PRO 1064N -1.89 1.95 -1.64 0.54 -0.02 -1.26 -4.94 135.00 127.74 3ir6 n PRO 1064Ca 0.13 0.69 -0.30 0.00 -2.02 0.00 0.00 63.50 62.00 3ir6 n PRO 1064Cb 0.49 -2.33 0.07 0.00 -0.02 0.00 0.00 33.50 31.72 3ir6 n PRO 1064CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3ir6 s ILE 1065N -1.16 3.31 -0.21 4.25 -4.36 -1.26 -4.52 121.20 117.24 3ir6 s ILE 1065Ca 0.59 0.42 -0.09 0.00 -0.26 0.00 0.00 60.65 61.31 3ir6 s ILE 1065Cb -0.54 -3.23 -0.05 0.00 1.25 0.00 0.00 42.46 39.90 3ir6 s ILE 1065CO 0.60 -0.55 0.11 -0.62 0.24 0.00 0.00 174.94 174.72 3ir6 s ASP 1066N -4.00 5.94 0.00 4.36 -1.08 -1.26 -4.83 116.67 115.80 3ir6 s ASP 1066Ca 0.60 0.12 0.22 0.00 -0.52 0.00 0.00 52.55 52.97 3ir6 s ASP 1066Cb -0.13 -2.05 0.34 0.00 -1.46 0.00 0.00 42.92 39.62 3ir6 s ASP 1066CO 0.54 0.13 1.32 0.35 0.52 0.00 0.00 175.17 178.03 3ir6 n THR 1067N 3.83 0.37 -4.03 1.71 -2.24 -1.26 -4.85 114.28 107.81 3ir6 n THR 1067Ca -0.16 -0.68 -0.38 0.00 -2.27 0.00 0.00 64.05 60.56 3ir6 n THR 1067Cb 0.52 1.11 0.01 0.00 -2.10 0.00 0.00 70.33 69.87 3ir6 n THR 1067CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ir6 n ARG 1068N 1.36 -0.40 0.00 -0.78 1.74 -1.26 -4.81 116.66 112.50 3ir6 n ARG 1068Ca 0.17 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3ir6 n ARG 1068Cb 0.57 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 3ir6 n ARG 1068CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ir6 n SER 1069N -1.66 1.88 -0.01 0.55 3.41 -1.26 -4.83 113.62 111.70 3ir6 n SER 1069Ca -0.11 -1.89 -0.03 0.00 -0.26 0.00 0.00 58.87 56.58 3ir6 n SER 1069Cb 0.47 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 3ir6 n SER 1069CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3ir6 n VAL 1070N -0.45 0.15 0.27 -3.33 0.31 -1.26 -0.76 118.33 113.26 3ir6 n VAL 1070Ca 0.00 -0.04 0.14 0.00 -0.01 0.00 0.00 64.34 64.42 3ir6 n VAL 1070Cb 0.23 -1.26 0.84 0.00 -0.91 0.00 0.00 33.84 32.74 3ir6 n VAL 1070CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3ir6 h LYS 1071N -0.07 0.00 0.00 5.55 1.57 -1.95 0.21 116.57 121.88 3ir6 h LYS 1071Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3ir6 h LYS 1071Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3ir6 h LYS 1071CO -0.03 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.78 3ir6 h GLU 1072N 0.00 0.00 0.00 3.15 3.07 -1.89 -3.36 114.58 115.55 3ir6 h GLU 1072Ca 0.02 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 3ir6 h GLU 1072Cb 0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3ir6 h GLU 1072CO -0.00 0.00 -1.23 1.33 -1.40 0.00 0.00 179.01 177.71 3ir6 n VAL 1073N -2.78 0.06 -1.66 3.13 0.24 -0.88 -4.88 118.33 111.57 3ir6 n VAL 1073Ca 0.04 -0.12 -0.47 0.00 -2.04 0.00 0.00 64.34 61.75 3ir6 n VAL 1073Cb 0.47 0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.92 3ir6 n VAL 1073CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ir6 n ILE 1074N -1.76 0.05 0.00 1.34 0.00 0.01 -1.49 119.36 117.51 3ir6 n ILE 1074Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 62.75 62.72 3ir6 n ILE 1074Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 39.64 38.37 3ir6 n ILE 1074CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ir6 n GLY 1075N 3.42 2.67 0.28 4.50 0.00 -1.26 -4.88 105.19 109.93 3ir6 n GLY 1075Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 3ir6 n GLY 1075CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ir6 h GLN 1076N 1.44 0.00 -1.48 1.61 1.08 -1.60 -3.23 115.11 112.92 3ir6 h GLN 1076Ca 0.00 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.75 3ir6 h GLN 1076Cb 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.03 3ir6 h GLN 1076CO 0.00 0.00 -1.10 1.63 -0.95 0.00 0.00 178.83 178.41 3ir6 n LYS 1077N -4.22 1.55 -1.59 1.46 5.02 -1.26 -5.11 118.16 114.01 3ir6 n LYS 1077Ca -0.03 -3.58 -0.47 0.00 -2.02 0.00 0.00 58.31 52.21 3ir6 n LYS 1077Cb 0.10 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 3ir6 n LYS 1077CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3ir6 n SER 1078N -0.02 1.42 -0.23 4.39 2.88 -1.22 -4.89 113.62 115.94 3ir6 n SER 1078Ca 0.20 1.15 0.06 0.00 -1.33 0.00 0.00 58.87 58.95 3ir6 n SER 1078Cb 0.71 -1.26 -0.02 0.00 -0.75 0.00 0.00 64.21 62.90 3ir6 n SER 1078CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3ir6 n ASN 1079N 1.77 1.24 0.00 -3.46 0.23 -1.26 -4.98 115.26 108.80 3ir6 n ASN 1079Ca 0.13 -1.12 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 3ir6 n ASN 1079Cb 0.28 0.58 0.00 0.00 -2.08 0.00 0.00 39.78 38.56 3ir6 n ASN 1079CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ir6 n GLY 1080N 1.08 0.98 3.81 4.83 0.00 -1.26 -4.96 105.19 109.67 3ir6 n GLY 1080Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3ir6 n GLY 1080CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ir6 s ASN 1081N -2.00 5.78 0.47 1.61 0.01 -1.26 -5.07 114.94 114.49 3ir6 s ASN 1081Ca 0.00 0.14 -0.24 0.00 -0.71 0.00 0.00 52.86 52.05 3ir6 s ASN 1081Cb 0.00 -1.66 -0.08 0.00 0.41 0.00 0.00 41.25 39.91 3ir6 s ASN 1081CO 0.00 0.23 1.21 1.67 -1.51 0.00 0.00 177.10 178.70 3ir6 n GLN 1082N 0.87 1.66 -4.43 -0.60 7.27 -1.26 -4.89 117.38 115.99 3ir6 n GLN 1082Ca -0.11 0.60 -0.25 0.00 0.07 0.00 0.00 57.00 57.31 3ir6 n GLN 1082Cb 0.52 -2.34 -0.10 0.00 2.41 0.00 0.00 30.24 30.72 3ir6 n GLN 1082CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3ir6 s GLU 1083N -2.39 1.69 -0.21 3.69 2.02 -1.26 -4.41 118.70 117.82 3ir6 s GLU 1083Ca 0.65 -1.62 -0.27 0.00 0.02 0.00 0.00 54.97 53.75 3ir6 s GLU 1083Cb -0.48 -1.85 0.09 0.00 0.10 0.00 0.00 34.13 31.99 3ir6 s GLU 1083CO 0.55 0.37 0.83 0.21 0.02 0.00 0.00 175.26 177.23 3ir6 s LYS 1084N -3.16 0.77 -0.03 1.61 2.20 -0.84 -4.95 119.74 115.33 3ir6 s LYS 1084Ca 0.26 0.64 -0.25 0.00 -0.36 0.00 0.00 55.97 56.26 3ir6 s LYS 1084Cb -0.06 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 3ir6 s LYS 1084CO 0.13 -0.15 0.76 0.00 -0.36 0.00 0.00 175.35 175.74 3ir6 s ALA 1085N -0.17 3.31 0.03 3.13 0.00 -1.26 -0.74 121.76 126.05 3ir6 s ALA 1085Ca -0.02 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.19 3ir6 s ALA 1085Cb -0.03 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3ir6 s ALA 1085CO 0.01 -0.10 -0.06 -0.51 0.00 0.00 0.00 175.76 175.11 3ir6 s LEU 1086N 0.69 2.20 -0.07 0.00 1.43 -0.21 -4.96 118.68 117.76 3ir6 s LEU 1086Ca 0.40 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 3ir6 s LEU 1086Cb -0.19 -0.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.88 3ir6 s LEU 1086CO 0.21 -0.18 1.56 0.21 0.23 0.00 0.00 176.35 178.39 3ir6 s ASN 1087N -1.24 6.73 -0.82 2.29 3.04 -0.93 -1.03 114.94 122.97 3ir6 s ASN 1087Ca -0.09 2.14 -0.17 0.00 0.04 0.00 0.00 52.86 54.78 3ir6 s ASN 1087Cb -0.08 -2.54 0.16 0.00 -1.54 0.00 0.00 41.25 37.25 3ir6 s ASN 1087CO -0.00 -0.88 0.90 0.12 -3.04 0.00 0.00 177.10 174.20 3ir6 s PHE 1088N 3.77 3.35 -0.07 0.43 5.36 -0.26 -1.06 117.98 129.50 3ir6 s PHE 1088Ca 0.69 -1.55 -0.12 0.00 -0.96 0.00 0.00 56.93 55.00 3ir6 s PHE 1088Cb -0.31 -4.05 -0.05 0.00 -0.34 0.00 0.00 43.02 38.27 3ir6 s PHE 1088CO 0.27 -1.25 0.29 -0.51 -1.46 0.00 0.00 175.22 172.56 3ir6 s LEU 1089N 1.68 4.40 -0.54 6.12 1.43 -0.29 -4.66 118.68 126.82 3ir6 s LEU 1089Ca 0.23 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 54.10 3ir6 s LEU 1089Cb -0.11 -2.36 0.24 0.00 0.03 0.00 0.00 46.19 43.99 3ir6 s LEU 1089CO -0.06 0.31 0.64 0.35 0.23 0.00 0.00 176.35 177.81 3ir6 n THR 1090N 2.22 1.02 -1.45 5.49 -2.24 -1.26 -1.89 114.28 116.17 3ir6 n THR 1090Ca -0.16 -4.68 -0.32 0.00 -2.27 0.00 0.00 64.05 56.63 3ir6 n THR 1090Cb 0.53 -2.03 0.08 0.00 -2.10 0.00 0.00 70.33 66.80 3ir6 n THR 1090CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ir6 s PRO 1091N -1.85 2.43 0.24 -0.78 0.04 -1.26 -3.99 135.00 129.82 3ir6 s PRO 1091Ca 0.37 1.30 -0.31 0.00 0.04 0.00 0.00 61.00 62.40 3ir6 s PRO 1091Cb 0.15 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.65 3ir6 s PRO 1091CO -0.06 -1.53 1.50 0.72 0.04 0.00 0.00 177.00 177.67 3ir6 n HIS 1092N -3.06 2.38 -1.50 0.56 8.25 -1.26 0.32 115.22 120.91 3ir6 n HIS 1092Ca 0.10 0.34 -0.30 0.00 -0.26 0.00 0.00 57.72 57.60 3ir6 n HIS 1092Cb 0.52 -2.52 0.21 0.00 1.12 0.00 0.00 29.99 29.33 3ir6 n HIS 1092CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3ir6 s GLN 1093N -0.14 -0.25 0.00 -0.41 -2.07 -1.25 -4.69 119.66 110.85 3ir6 s GLN 1093Ca 0.69 -0.22 0.16 0.00 -1.82 0.00 0.00 55.36 54.17 3ir6 s GLN 1093Cb -0.61 -1.72 -0.02 0.00 -1.09 0.00 0.00 33.01 29.57 3ir6 s GLN 1093CO 0.47 -3.04 0.82 1.17 -1.32 0.00 0.00 175.29 173.38 3ir6 n LYS 1094N -4.25 1.74 -1.53 9.60 4.81 -1.26 -4.56 118.16 122.71 3ir6 n LYS 1094Ca 0.14 -0.71 -0.09 0.00 -0.87 0.00 0.00 58.31 56.78 3ir6 n LYS 1094Cb 0.59 -1.25 0.09 0.00 0.02 0.00 0.00 35.03 34.48 3ir6 n LYS 1094CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3ir6 n TRP 1095N -0.26 1.40 0.00 5.64 7.02 -1.26 -4.91 117.44 125.06 3ir6 n TRP 1095Ca 0.06 -1.82 0.00 0.00 -1.02 0.00 0.00 57.50 54.72 3ir6 n TRP 1095Cb 0.32 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 28.93 3ir6 n TRP 1095CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ir6 n GLY 1096N -0.77 0.26 3.01 6.99 0.00 -1.26 -4.29 105.19 109.13 3ir6 n GLY 1096Ca 0.29 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 3ir6 n GLY 1096CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ir6 s ILE 1097N -2.00 2.01 0.00 -0.61 -1.09 -0.95 -4.68 121.20 113.88 3ir6 s ILE 1097Ca 0.00 -1.74 0.00 0.00 -2.23 0.00 0.00 60.65 56.68 3ir6 s ILE 1097Cb 0.00 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.62 3ir6 s ILE 1097CO 0.00 -0.23 0.00 1.41 -1.23 0.00 0.00 174.94 174.89 3ir6 n HIS 1098N 4.45 0.00 0.08 3.97 8.25 -1.26 -1.65 115.22 129.05 3ir6 n HIS 1098Ca -0.08 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.45 3ir6 n HIS 1098Cb 0.42 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 3ir6 n HIS 1098CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ir6 n SER 1099N 5.41 0.83 -4.72 0.41 2.88 -1.26 -4.36 113.62 112.80 3ir6 n SER 1099Ca 0.00 0.34 -0.39 0.00 -1.33 0.00 0.00 58.87 57.48 3ir6 n SER 1099Cb 0.00 0.39 0.03 0.00 -0.75 0.00 0.00 64.21 63.89 3ir6 n SER 1099CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3ir6 n THR 1100N -2.74 3.36 0.00 2.46 -1.04 -0.66 -1.49 114.28 114.18 3ir6 n THR 1100Ca -0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 3ir6 n THR 1100Cb 0.65 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 3ir6 n THR 1100CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3ir6 n TYR 1101N -0.79 0.00 0.42 -1.42 4.02 -1.26 -2.24 117.16 115.89 3ir6 n TYR 1101Ca 0.09 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.99 3ir6 n TYR 1101Cb 0.43 -0.04 0.07 0.00 -0.02 0.00 0.00 39.34 39.78 3ir6 n TYR 1101CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3ir6 n SER 1102N 0.00 0.00 0.00 7.72 3.41 -0.55 -0.11 113.62 124.08 3ir6 n SER 1102Ca 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 3ir6 n SER 1102Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ir6 n SER 1102CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ir6 n ASP 1103N -0.67 0.37 -4.65 4.04 5.75 -1.26 -4.88 116.55 115.24 3ir6 n ASP 1103Ca 0.02 -0.92 -0.43 0.00 -0.01 0.00 0.00 54.79 53.45 3ir6 n ASP 1103Cb 0.01 0.04 -0.02 0.00 -1.03 0.00 0.00 41.12 40.12 3ir6 n ASP 1103CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3ir6 s ASN 1104N -0.04 6.93 0.49 -1.12 3.84 0.84 -4.94 114.94 120.93 3ir6 s ASN 1104Ca 0.00 1.55 0.22 0.00 0.21 0.00 0.00 52.86 54.84 3ir6 s ASN 1104Cb 0.00 -2.54 1.26 0.00 -0.55 0.00 0.00 41.25 39.43 3ir6 s ASN 1104CO 0.00 -0.80 1.95 0.25 -2.79 0.00 0.00 177.10 175.71 3ir6 h LEU 1105N 9.88 0.16 -0.12 3.21 5.85 -1.97 -0.10 115.31 132.22 3ir6 h LEU 1105Ca -0.25 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3ir6 h LEU 1105Cb 1.09 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3ir6 h LEU 1105CO 0.98 0.08 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.07 3ir6 h LEU 1106N 0.17 0.22 -0.38 2.25 3.38 -1.93 -0.01 115.31 119.02 3ir6 h LEU 1106Ca 0.32 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3ir6 h LEU 1106Cb 1.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3ir6 h LEU 1106CO -0.05 0.53 0.05 0.24 0.09 0.00 0.00 178.44 179.29 3ir6 h MET 1107N -0.08 0.63 -0.42 1.13 2.86 -1.60 -2.25 114.93 115.19 3ir6 h MET 1107Ca 0.03 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3ir6 h MET 1107Cb 0.42 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3ir6 h MET 1107CO 0.01 0.70 0.19 -0.07 1.06 0.00 0.00 176.91 178.80 3ir6 h LEU 1108N 0.47 0.53 -0.52 1.22 3.38 -0.99 -0.76 115.31 118.64 3ir6 h LEU 1108Ca 0.11 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3ir6 h LEU 1108Cb 0.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3ir6 h LEU 1108CO 0.01 0.47 -0.41 0.74 0.09 0.00 0.00 178.44 179.34 3ir6 h THR 1109N 0.59 0.82 0.00 0.22 2.02 -0.76 -1.80 112.91 114.00 3ir6 h THR 1109Ca 0.15 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.54 3ir6 h THR 1109Cb 0.09 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3ir6 h THR 1109CO -0.02 0.40 -0.55 0.18 0.37 0.00 0.00 175.52 175.91 3ir6 n LEU 1110N -3.36 0.55 0.00 2.58 4.32 -0.78 -4.82 117.00 115.49 3ir6 n LEU 1110Ca 0.01 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 3ir6 n LEU 1110Cb 0.60 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 3ir6 n LEU 1110CO 0.38 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 3ir6 n GLY 1111N 1.43 1.80 0.99 -0.72 0.00 -0.36 -5.01 105.19 103.33 3ir6 n GLY 1111Ca 0.05 -1.33 0.09 0.00 0.00 0.00 0.00 46.02 44.82 3ir6 n GLY 1111CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir6 n ARG 1112N 0.00 2.62 -0.54 1.61 5.12 -1.26 -4.97 116.66 119.24 3ir6 n ARG 1112Ca 0.00 -2.28 0.00 0.00 -1.93 0.00 0.00 57.85 53.64 3ir6 n ARG 1112Cb 0.00 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 3ir6 n ARG 1112CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ir6 n GLY 1113N 1.12 0.74 0.00 -0.13 0.00 -0.69 -4.99 105.19 101.25 3ir6 n GLY 1113Ca 0.18 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3ir6 n GLY 1113CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir6 n GLY 1114N -2.35 1.19 3.67 -0.02 0.00 -1.26 -4.83 105.19 101.59 3ir6 n GLY 1114Ca 0.00 -1.95 -0.63 0.00 0.00 0.00 0.00 46.02 43.44 3ir6 n GLY 1114CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ir6 n PRO 1115N -1.96 0.25 -4.04 1.61 -0.02 -1.26 -4.93 135.00 124.65 3ir6 n PRO 1115Ca 0.00 0.09 -0.08 0.00 -2.02 0.00 0.00 63.50 61.49 3ir6 n PRO 1115Cb 0.00 -1.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 3ir6 n PRO 1115CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3ir6 s VAL 1116N 2.10 0.18 -0.01 -1.45 -7.23 -1.26 -2.47 120.40 110.25 3ir6 s VAL 1116Ca 0.99 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.74 3ir6 s VAL 1116Cb -1.34 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 3ir6 s VAL 1116CO 0.70 -0.80 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.90 3ir6 s VAL 1117N -2.97 0.82 -0.13 1.32 1.01 0.15 -4.49 120.40 116.11 3ir6 s VAL 1117Ca -0.02 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 3ir6 s VAL 1117Cb 0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3ir6 s VAL 1117CO -0.07 0.24 0.45 0.26 0.00 0.00 0.00 175.10 175.99 3ir6 s TRP 1118N -0.13 3.50 0.02 5.22 0.52 0.11 -0.27 118.94 127.90 3ir6 s TRP 1118Ca 0.02 0.84 0.06 0.00 0.02 0.00 0.00 56.10 57.04 3ir6 s TRP 1118Cb -0.05 -2.53 -0.02 0.00 -1.15 0.00 0.00 33.47 29.72 3ir6 s TRP 1118CO -0.00 0.16 -0.18 -0.51 0.02 0.00 0.00 176.95 176.44 3ir6 s LEU 1119N 0.66 2.12 0.76 2.99 1.43 -0.26 -1.86 118.68 124.52 3ir6 s LEU 1119Ca 0.25 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 3ir6 s LEU 1119Cb -0.15 -0.87 0.05 0.00 0.03 0.00 0.00 46.19 45.25 3ir6 s LEU 1119CO 0.09 0.16 1.12 -0.94 0.23 0.00 0.00 176.35 177.01 3ir6 s SER 1120N -0.87 4.40 0.23 2.29 1.04 -1.26 -1.95 113.70 117.59 3ir6 s SER 1120Ca 0.06 1.99 -0.06 0.00 0.48 0.00 0.00 55.95 58.42 3ir6 s SER 1120Cb -0.08 -2.55 0.35 0.00 0.10 0.00 0.00 66.02 63.84 3ir6 s SER 1120CO 0.01 -2.11 1.80 -0.33 0.98 0.00 0.00 173.24 173.59 3ir6 h GLU 1121N -0.80 0.68 0.22 4.02 5.08 -1.66 0.05 114.58 122.18 3ir6 h GLU 1121Ca -0.45 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 3ir6 h GLU 1121Cb 1.25 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3ir6 h GLU 1121CO 0.50 0.45 -0.11 0.00 -1.00 0.00 0.00 179.01 178.86 3ir6 h ALA 1122N 1.43 -0.30 -0.97 3.43 0.00 -1.91 -1.18 119.26 119.75 3ir6 h ALA 1122Ca 0.36 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.21 3ir6 h ALA 1122Cb 0.33 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 3ir6 h ALA 1122CO -0.24 -0.50 0.62 -0.44 0.00 0.00 0.00 179.25 178.68 3ir6 h ASP 1123N -0.64 0.89 -0.51 0.00 3.45 -1.88 0.38 116.42 118.10 3ir6 h ASP 1123Ca -0.03 0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.38 3ir6 h ASP 1123Cb 0.46 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 3ir6 h ASP 1123CO 0.05 0.49 -0.02 0.00 -1.57 0.00 0.00 179.24 178.18 3ir6 h ALA 1124N 1.54 0.69 -0.12 3.45 0.00 -0.87 -2.72 119.26 121.23 3ir6 h ALA 1124Ca 0.47 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 3ir6 h ALA 1124Cb 0.47 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ir6 h ALA 1124CO -0.23 0.52 -0.70 0.87 0.00 0.00 0.00 179.25 179.71 3ir6 h LYS 1125N 0.77 0.52 -0.58 0.00 1.57 -0.23 0.34 116.57 118.96 3ir6 h LYS 1125Ca 0.14 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3ir6 h LYS 1125Cb 0.55 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 3ir6 h LYS 1125CO 0.03 1.03 0.37 0.22 -0.57 0.00 0.00 179.45 180.52 3ir6 h ASP 1126N 0.36 0.68 0.08 0.86 -0.00 -0.93 -2.02 116.42 115.46 3ir6 h ASP 1126Ca -0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 3ir6 h ASP 1126Cb 1.28 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 40.44 3ir6 h ASP 1126CO 0.13 0.51 -0.09 0.18 -0.00 0.00 0.00 179.24 179.96 3ir6 n LEU 1127N -4.43 1.32 -0.58 2.28 4.77 -1.03 -4.93 117.00 114.40 3ir6 n LEU 1127Ca 0.06 -0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 55.57 3ir6 n LEU 1127Cb 0.06 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3ir6 n LEU 1127CO 0.36 0.23 -0.07 0.61 -1.33 0.00 0.00 177.39 177.19 3ir6 n GLY 1128N 1.24 0.32 3.62 -0.72 0.00 -0.76 -4.56 105.19 104.33 3ir6 n GLY 1128Ca 0.16 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 3ir6 n GLY 1128CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ir6 s ILE 1129N -2.26 5.32 0.22 -0.61 1.01 0.12 -4.98 121.20 120.02 3ir6 s ILE 1129Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.89 3ir6 s ILE 1129Cb 0.00 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 3ir6 s ILE 1129CO 0.00 0.29 0.37 0.00 0.00 0.00 0.00 174.94 175.59 3ir6 s ALA 1130N 1.46 3.90 0.12 9.38 0.00 -1.26 -4.34 121.76 131.02 3ir6 s ALA 1130Ca 0.08 -1.08 -0.35 0.00 0.00 0.00 0.00 51.96 50.61 3ir6 s ALA 1130Cb -0.15 -1.83 -0.15 0.00 0.00 0.00 0.00 23.12 20.99 3ir6 s ALA 1130CO 0.08 0.32 1.52 -3.47 0.00 0.00 0.00 175.76 174.20 3ir6 n ASP 1131N -1.12 2.65 -0.17 0.00 2.03 -1.26 -1.38 116.55 117.30 3ir6 n ASP 1131Ca -0.07 1.09 -0.02 0.00 0.52 0.00 0.00 54.79 56.31 3ir6 n ASP 1131Cb 0.56 -1.35 -0.01 0.00 -0.72 0.00 0.00 41.12 39.60 3ir6 n ASP 1131CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3ir6 n ASN 1132N 3.27 -3.61 -4.82 1.67 5.15 0.53 -4.98 115.26 112.47 3ir6 n ASN 1132Ca 0.18 0.05 -0.33 0.00 -0.60 0.00 0.00 54.58 53.89 3ir6 n ASN 1132Cb 0.26 -1.31 -0.01 0.00 -0.53 0.00 0.00 39.78 38.19 3ir6 n ASN 1132CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3ir6 s ASP 1133N -2.45 6.10 -0.02 1.20 -0.00 -0.48 -4.62 116.67 116.40 3ir6 s ASP 1133Ca 0.00 1.73 -0.30 0.00 -0.00 0.00 0.00 52.55 53.98 3ir6 s ASP 1133Cb 0.00 -2.53 -0.03 0.00 -0.00 0.00 0.00 42.92 40.37 3ir6 s ASP 1133CO 0.00 -0.95 0.99 0.26 -0.00 0.00 0.00 175.17 175.47 3ir6 s TRP 1134N -2.50 3.64 0.23 4.23 0.52 -1.26 -1.27 118.94 122.52 3ir6 s TRP 1134Ca 0.62 1.68 0.03 0.00 0.02 0.00 0.00 56.10 58.45 3ir6 s TRP 1134Cb -0.14 -3.13 -0.05 0.00 -1.15 0.00 0.00 33.47 29.00 3ir6 s TRP 1134CO 0.34 -0.05 0.02 0.96 0.02 0.00 0.00 176.95 178.24 3ir6 s ILE 1135N 1.16 0.84 -0.04 2.03 -4.36 0.10 -0.71 121.20 120.22 3ir6 s ILE 1135Ca 0.51 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.93 3ir6 s ILE 1135Cb -0.21 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.14 3ir6 s ILE 1135CO 0.26 -0.28 -0.13 -0.70 0.24 0.00 0.00 174.94 174.34 3ir6 s GLU 1136N -3.92 1.44 -0.12 0.37 2.12 0.17 -2.29 118.70 116.47 3ir6 s GLU 1136Ca 0.30 -0.44 0.03 0.00 0.36 0.00 0.00 54.97 55.21 3ir6 s GLU 1136Cb 0.06 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 33.19 3ir6 s GLU 1136CO 0.09 0.14 -0.21 0.08 -0.54 0.00 0.00 175.26 174.81 3ir6 s VAL 1137N 0.25 2.19 0.12 3.70 1.01 -0.92 -2.06 120.40 124.69 3ir6 s VAL 1137Ca -0.06 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 3ir6 s VAL 1137Cb -0.11 -1.87 0.07 0.00 0.00 0.00 0.00 36.38 34.47 3ir6 s VAL 1137CO 0.02 0.55 0.62 0.72 0.00 0.00 0.00 175.10 177.01 3ir6 s PHE 1138N 0.59 -0.56 0.00 5.22 -0.12 -0.30 -0.57 117.98 122.25 3ir6 s PHE 1138Ca -0.12 0.47 0.00 0.00 -0.05 0.00 0.00 56.93 57.23 3ir6 s PHE 1138Cb -0.17 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 3ir6 s PHE 1138CO 0.03 -0.80 0.00 0.27 -0.05 0.00 0.00 175.22 174.67 3ir6 n ASN 1139N -0.14 0.00 -0.19 1.98 0.23 -0.34 -0.93 115.26 115.87 3ir6 n ASN 1139Ca -0.17 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 53.88 3ir6 n ASN 1139Cb 0.63 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.43 3ir6 n ASN 1139CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3ir6 h SER 1140N 0.00 0.05 0.35 0.53 0.02 -1.31 -2.70 113.55 110.50 3ir6 h SER 1140Ca 0.00 0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 3ir6 h SER 1140Cb 0.00 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3ir6 h SER 1140CO 0.00 0.04 -0.32 0.78 -1.14 0.00 0.00 176.83 176.20 3ir6 h ASN 1141N 0.28 0.00 -0.04 3.07 2.35 -1.83 0.33 115.58 119.74 3ir6 h ASN 1141Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3ir6 h ASN 1141Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3ir6 h ASN 1141CO -0.36 0.32 0.00 0.61 -1.65 0.00 0.00 177.43 176.34 3ir6 n GLY 1142N -0.56 -0.93 3.13 2.83 0.00 -0.25 -3.97 105.19 105.44 3ir6 n GLY 1142Ca -0.02 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 3ir6 n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir6 s ALA 1143N -1.00 0.77 0.03 4.61 0.00 -1.24 -1.20 121.76 123.72 3ir6 s ALA 1143Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3ir6 s ALA 1143Cb 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 3ir6 s ALA 1143CO 0.00 -0.29 -0.04 -0.48 0.00 0.00 0.00 175.76 174.96 3ir6 s LEU 1144N -2.96 2.31 0.06 0.00 0.05 0.26 -1.77 118.68 116.63 3ir6 s LEU 1144Ca 0.09 -0.63 0.09 0.00 0.05 0.00 0.00 54.13 53.73 3ir6 s LEU 1144Cb 0.06 0.08 -0.03 0.00 -2.05 0.00 0.00 46.19 44.25 3ir6 s LEU 1144CO -0.07 -0.36 -0.23 0.42 -0.55 0.00 0.00 176.35 175.56 3ir6 s THR 1145N -2.07 2.44 0.09 5.48 -4.23 -1.24 -2.17 115.64 113.95 3ir6 s THR 1145Ca -0.09 -1.38 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 3ir6 s THR 1145Cb -0.06 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.81 3ir6 s THR 1145CO -0.03 0.30 0.55 0.00 -0.54 0.00 0.00 174.62 174.90 3ir6 n ALA 1146N 1.49 -1.45 -2.52 3.99 0.00 -0.97 -4.82 120.51 116.23 3ir6 n ALA 1146Ca -0.17 -0.54 -0.29 0.00 0.00 0.00 0.00 53.44 52.45 3ir6 n ALA 1146Cb 0.52 0.29 -0.11 0.00 0.00 0.00 0.00 19.45 20.16 3ir6 n ALA 1146CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ir6 s ARG 1147N -2.03 1.89 0.20 0.00 0.52 -1.03 -0.73 118.95 117.77 3ir6 s ARG 1147Ca 0.12 -1.18 -0.19 0.00 -0.52 0.00 0.00 55.73 53.96 3ir6 s ARG 1147Cb -0.01 -2.15 -0.08 0.00 0.52 0.00 0.00 34.95 33.23 3ir6 s ARG 1147CO 0.03 0.47 0.69 0.00 0.02 0.00 0.00 175.30 176.51 3ir6 s ALA 1148N -1.28 3.45 -0.28 2.13 0.00 -0.40 0.31 121.76 125.69 3ir6 s ALA 1148Ca 0.20 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.32 3ir6 s ALA 1148Cb -0.10 -2.78 0.07 0.00 0.00 0.00 0.00 23.12 20.32 3ir6 s ALA 1148CO 0.12 0.35 -0.04 0.08 0.00 0.00 0.00 175.76 176.26 3ir6 s VAL 1149N -1.45 2.06 -0.09 0.00 1.01 0.63 -0.35 120.40 122.21 3ir6 s VAL 1149Ca 0.41 -1.80 -0.21 0.00 0.00 0.00 0.00 61.98 60.37 3ir6 s VAL 1149Cb -0.17 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3ir6 s VAL 1149CO 0.21 -0.25 0.60 -0.69 0.00 0.00 0.00 175.10 174.97 3ir6 s VAL 1150N 1.10 5.10 0.08 2.92 1.01 -1.26 -1.10 120.40 128.25 3ir6 s VAL 1150Ca -0.01 1.23 -0.16 0.00 0.00 0.00 0.00 61.98 63.03 3ir6 s VAL 1150Cb -0.19 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.28 3ir6 s VAL 1150CO -0.07 0.29 0.39 -0.55 0.00 0.00 0.00 175.10 175.16 3ir6 s SER 1151N 0.70 -0.23 0.20 3.32 0.15 -0.82 -4.94 113.70 112.08 3ir6 s SER 1151Ca 0.32 -0.19 0.11 0.00 0.70 0.00 0.00 55.95 56.90 3ir6 s SER 1151Cb -0.17 0.44 -0.07 0.00 -1.71 0.00 0.00 66.02 64.51 3ir6 s SER 1151CO 0.15 -0.75 1.34 -0.61 1.20 0.00 0.00 173.24 174.57 3ir6 h GLN 1152N 2.73 0.00 0.00 5.44 4.15 -1.95 -2.39 115.11 123.09 3ir6 h GLN 1152Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.09 3ir6 h GLN 1152Cb 1.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.92 3ir6 h GLN 1152CO 0.46 0.72 0.00 2.89 -1.93 0.00 0.00 178.83 180.97 3ir6 n ARG 1153N -3.27 0.27 -3.37 1.69 1.85 -1.26 -4.54 116.66 108.03 3ir6 n ARG 1153Ca 0.01 0.10 -0.40 0.00 -1.00 0.00 0.00 57.85 56.56 3ir6 n ARG 1153Cb 0.83 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.66 3ir6 n ARG 1153CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3ir6 s VAL 1154N -2.58 5.15 0.31 8.89 1.01 -1.25 -2.09 120.40 129.85 3ir6 s VAL 1154Ca 0.18 0.42 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 3ir6 s VAL 1154Cb 0.13 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 3ir6 s VAL 1154CO 0.30 0.04 1.39 -2.16 0.00 0.00 0.00 175.10 174.67 3ir6 s PRO 1155N 2.11 4.28 0.39 2.72 0.04 -1.26 -4.26 135.00 139.01 3ir6 s PRO 1155Ca 0.15 2.31 -0.26 0.00 0.04 0.00 0.00 61.00 63.24 3ir6 s PRO 1155Cb -0.16 -3.06 -0.11 0.00 0.04 0.00 0.00 34.50 31.21 3ir6 s PRO 1155CO 0.11 -0.33 1.18 0.00 0.04 0.00 0.00 177.00 178.00 3ir6 n ALA 1156N 1.26 0.85 0.00 8.56 0.00 -1.26 -2.52 120.51 127.40 3ir6 n ALA 1156Ca 0.02 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3ir6 n ALA 1156Cb 0.41 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3ir6 n ALA 1156CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ir6 n GLY 1157N 0.94 2.50 3.75 0.00 0.00 -1.26 -5.06 105.19 106.06 3ir6 n GLY 1157Ca 0.07 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 3ir6 n GLY 1157CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ir6 s MET 1158N 0.00 2.34 -0.05 1.61 0.23 -1.05 -2.19 119.30 120.19 3ir6 s MET 1158Ca 0.00 -1.64 -0.08 0.00 -1.03 0.00 0.00 55.69 52.94 3ir6 s MET 1158Cb 0.00 -2.14 0.01 0.00 -1.53 0.00 0.00 34.83 31.18 3ir6 s MET 1158CO 0.00 0.00 0.19 -0.08 -2.03 0.00 0.00 175.02 173.10 3ir6 s THR 1159N -2.49 0.03 -0.10 3.16 -1.32 -0.23 -4.35 115.64 110.34 3ir6 s THR 1159Ca 0.40 -0.24 0.01 0.00 -1.21 0.00 0.00 61.69 60.65 3ir6 s THR 1159Cb -0.01 -0.36 0.02 0.00 -1.51 0.00 0.00 72.50 70.65 3ir6 s THR 1159CO 0.23 -0.13 -0.10 -0.04 -2.21 0.00 0.00 174.62 172.37 3ir6 s MET 1160N -0.43 1.70 -0.52 7.08 -1.94 -0.78 -1.14 119.30 123.28 3ir6 s MET 1160Ca -0.05 -0.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.58 3ir6 s MET 1160Cb -0.03 -1.61 0.13 0.00 2.01 0.00 0.00 34.83 35.33 3ir6 s MET 1160CO 0.01 -0.16 0.29 1.41 -0.01 0.00 0.00 175.02 176.56 3ir6 s MET 1161N 1.33 2.14 0.07 2.03 1.75 -0.79 0.05 119.30 125.87 3ir6 s MET 1161Ca -0.02 -2.35 -0.37 0.00 -1.25 0.00 0.00 55.69 51.70 3ir6 s MET 1161Cb -0.14 -3.51 -0.18 0.00 2.84 0.00 0.00 34.83 33.85 3ir6 s MET 1161CO -0.05 -1.11 1.23 0.66 -0.65 0.00 0.00 175.02 175.11 3ir6 n TYR 1162N 3.66 1.18 -1.69 4.11 4.01 -1.26 -4.48 117.16 122.69 3ir6 n TYR 1162Ca 0.05 0.78 -0.56 0.00 -0.16 0.00 0.00 57.90 58.01 3ir6 n TYR 1162Cb 0.37 -2.24 -0.07 0.00 -0.31 0.00 0.00 39.34 37.09 3ir6 n TYR 1162CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3ir6 n HIS 1163N 2.08 1.95 -2.12 -0.72 -0.00 0.15 -4.33 115.22 112.24 3ir6 n HIS 1163Ca 0.19 0.54 -0.04 0.00 -0.00 0.00 0.00 57.72 58.41 3ir6 n HIS 1163Cb 0.16 -2.44 0.00 0.00 -0.00 0.00 0.00 29.99 27.72 3ir6 n HIS 1163CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ir6 n ALA 1164N 4.83 -3.01 0.24 1.57 0.00 -1.26 -3.76 120.51 119.12 3ir6 n ALA 1164Ca 0.25 0.54 0.03 0.00 0.00 0.00 0.00 53.44 54.26 3ir6 n ALA 1164Cb 0.15 -1.74 0.01 0.00 0.00 0.00 0.00 19.45 17.87 3ir6 n ALA 1164CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ir6 n GLN 1165N -0.41 0.98 0.00 0.00 6.02 -1.26 -4.29 117.38 118.42 3ir6 n GLN 1165Ca 0.05 -0.67 0.00 0.00 -0.01 0.00 0.00 57.00 56.38 3ir6 n GLN 1165Cb 0.21 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.44 3ir6 n GLN 1165CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3ir6 n GLU 1166N 0.02 0.00 -0.51 -1.09 0.28 -1.26 -4.63 120.64 113.45 3ir6 n GLU 1166Ca 0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.11 3ir6 n GLU 1166Cb 0.13 0.00 0.30 0.00 1.43 0.00 0.00 31.44 33.30 3ir6 n GLU 1166CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3ir6 n ARG 1167N -0.40 3.24 -0.00 3.44 0.63 -1.26 -4.56 116.66 117.74 3ir6 n ARG 1167Ca 0.00 -2.36 0.07 0.00 -0.92 0.00 0.00 57.85 54.65 3ir6 n ARG 1167Cb 0.00 -1.78 -0.10 0.00 0.45 0.00 0.00 32.46 31.03 3ir6 n ARG 1167CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3ir6 n ILE 1168N 0.91 0.00 -5.22 5.15 -5.35 -1.26 -4.94 119.36 108.65 3ir6 n ILE 1168Ca 0.21 -0.27 -0.32 0.00 -0.27 0.00 0.00 62.75 62.10 3ir6 n ILE 1168Cb 0.75 0.47 -0.17 0.00 -1.74 0.00 0.00 39.64 38.95 3ir6 n ILE 1168CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3ir6 s VAL 1169N -2.79 2.10 -1.13 7.28 1.01 -1.26 -4.89 120.40 120.73 3ir6 s VAL 1169Ca -0.01 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 3ir6 s VAL 1169Cb 0.10 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3ir6 s VAL 1169CO 0.61 0.56 0.75 -3.20 0.00 0.00 0.00 175.10 173.82 3ir6 n ASN 1170N 3.30 -5.05 -3.85 3.32 2.85 -1.26 -4.41 115.26 110.16 3ir6 n ASN 1170Ca -0.18 -1.07 -0.26 0.00 -0.11 0.00 0.00 54.58 52.95 3ir6 n ASN 1170Cb 0.53 -2.85 -0.17 0.00 1.24 0.00 0.00 39.78 38.53 3ir6 n ASN 1170CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3ir6 s LEU 1171N -6.62 1.04 0.56 1.20 1.43 -1.26 -4.56 118.68 110.46 3ir6 s LEU 1171Ca 0.45 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3ir6 s LEU 1171Cb -0.19 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.36 3ir6 s LEU 1171CO 0.89 -0.16 0.80 -2.16 0.23 0.00 0.00 176.35 175.95 3ir6 s PRO 1172N 1.79 2.59 0.35 1.29 0.04 -1.26 -4.72 135.00 135.09 3ir6 s PRO 1172Ca 0.04 -0.62 -0.29 0.00 0.04 0.00 0.00 61.00 60.18 3ir6 s PRO 1172Cb -0.13 -2.44 -0.11 0.00 0.04 0.00 0.00 34.50 31.86 3ir6 s PRO 1172CO -0.07 -0.72 1.45 0.20 0.04 0.00 0.00 177.00 177.90 3ir6 s GLY 1173N -4.40 2.83 0.37 0.56 0.00 0.12 -1.79 107.32 105.00 3ir6 s GLY 1173Ca 0.56 1.47 -0.24 0.00 0.00 0.00 0.00 44.72 46.51 3ir6 s GLY 1173CO 0.40 2.20 0.96 -0.45 0.00 0.00 0.00 173.10 176.20 3ir6 s SER 1174N -0.13 7.15 0.00 1.64 0.15 0.64 -4.49 113.70 118.65 3ir6 s SER 1174Ca 0.53 1.81 0.27 0.00 0.70 0.00 0.00 55.95 59.27 3ir6 s SER 1174Cb -0.44 -2.57 0.87 0.00 -1.71 0.00 0.00 66.02 62.17 3ir6 s SER 1174CO 0.57 -0.21 1.64 -0.62 1.20 0.00 0.00 173.24 175.83 3ir6 n GLU 1175N 0.11 0.59 -0.06 5.44 1.02 -1.26 -2.38 120.64 124.11 3ir6 n GLU 1175Ca 0.04 -0.30 -0.01 0.00 -0.02 0.00 0.00 57.16 56.87 3ir6 n GLU 1175Cb 0.51 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.28 3ir6 n GLU 1175CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3ir6 n ILE 1176N -0.94 0.85 -0.01 -3.67 2.08 -1.26 -4.59 119.36 111.82 3ir6 n ILE 1176Ca 0.11 -0.71 0.00 0.00 0.56 0.00 0.00 62.75 62.71 3ir6 n ILE 1176Cb 0.32 -0.31 0.00 0.00 -0.75 0.00 0.00 39.64 38.90 3ir6 n ILE 1176CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3ir6 n THR 1177N -2.58 0.00 -1.55 1.39 -2.24 -1.26 -4.99 114.28 103.06 3ir6 n THR 1177Ca -0.20 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 60.90 3ir6 n THR 1177Cb 0.91 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 70.07 3ir6 n THR 1177CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ir6 n GLN 1178N -0.66 -1.42 -3.28 -0.78 1.13 -1.00 -4.95 117.38 106.42 3ir6 n GLN 1178Ca 0.00 1.16 -0.16 0.00 -1.94 0.00 0.00 57.00 56.06 3ir6 n GLN 1178Cb 0.00 -5.51 -0.03 0.00 0.11 0.00 0.00 30.24 24.81 3ir6 n GLN 1178CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3ir6 n GLN 1179N -2.22 1.41 -2.09 -1.09 6.02 -1.26 -4.90 117.38 113.25 3ir6 n GLN 1179Ca -0.19 -1.78 -0.41 0.00 -0.01 0.00 0.00 57.00 54.61 3ir6 n GLN 1179Cb 0.65 0.47 -0.02 0.00 1.02 0.00 0.00 30.24 32.36 3ir6 n GLN 1179CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3ir6 s ARG 1180N -2.88 4.32 0.79 -1.09 6.06 -1.26 -0.26 118.95 124.62 3ir6 s ARG 1180Ca 0.00 2.22 -0.15 0.00 -2.50 0.00 0.00 55.73 55.30 3ir6 s ARG 1180Cb -0.00 -3.11 -0.01 0.00 0.06 0.00 0.00 34.95 31.90 3ir6 s ARG 1180CO 0.00 -0.29 0.59 0.41 -2.50 0.00 0.00 175.30 173.51 3ir6 n GLY 1181N 1.64 -1.43 1.28 8.12 0.00 -0.74 -4.61 105.19 109.45 3ir6 n GLY 1181Ca 0.04 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 3ir6 n GLY 1181CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir6 n GLY 1182N 1.47 0.92 3.92 -0.02 0.00 -0.73 -4.74 105.19 106.01 3ir6 n GLY 1182Ca 0.10 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 3ir6 n GLY 1182CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ir6 s ILE 1183N -0.75 1.69 0.48 -0.61 -4.36 -1.26 -3.61 121.20 112.77 3ir6 s ILE 1183Ca 0.22 -1.44 0.17 0.00 -0.26 0.00 0.00 60.65 59.34 3ir6 s ILE 1183Cb -0.01 -2.13 0.34 0.00 1.25 0.00 0.00 42.46 41.90 3ir6 s ILE 1183CO 0.14 0.00 2.01 1.12 0.24 0.00 0.00 174.94 178.46 3ir6 h HIS 1184N 0.68 0.24 -0.16 1.37 2.07 -1.95 0.13 115.15 117.53 3ir6 h HIS 1184Ca -0.36 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.17 3ir6 h HIS 1184Cb 1.30 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3ir6 h HIS 1184CO 0.93 0.12 0.00 0.09 -3.07 0.00 0.00 177.93 175.99 3ir6 n ASN 1185N -4.45 0.96 -0.00 3.10 3.02 -1.26 -3.02 115.26 113.61 3ir6 n ASN 1185Ca 0.08 -1.90 0.15 0.00 -0.03 0.00 0.00 54.58 52.88 3ir6 n ASN 1185Cb 0.39 -0.11 0.72 0.00 -0.61 0.00 0.00 39.78 40.17 3ir6 n ASN 1185CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ir6 n SER 1186N -0.02 0.01 -0.06 6.41 7.64 0.45 -1.17 113.62 126.89 3ir6 n SER 1186Ca 0.08 0.01 0.01 0.00 1.01 0.00 0.00 58.87 59.97 3ir6 n SER 1186Cb 0.17 -0.33 0.01 0.00 -1.01 0.00 0.00 64.21 63.05 3ir6 n SER 1186CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3ir6 n VAL 1187N -1.33 0.38 -3.59 0.44 0.24 -1.17 -1.09 118.33 112.21 3ir6 n VAL 1187Ca 0.12 -0.69 -0.22 0.00 -2.04 0.00 0.00 64.34 61.52 3ir6 n VAL 1187Cb 0.27 0.83 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 3ir6 n VAL 1187CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ir6 s THR 1188N -0.45 2.42 -0.27 3.34 -4.23 -1.22 -4.68 115.64 110.56 3ir6 s THR 1188Ca 0.02 -1.35 -0.24 0.00 -1.18 0.00 0.00 61.69 58.94 3ir6 s THR 1188Cb 0.01 -2.77 0.08 0.00 1.34 0.00 0.00 72.50 71.17 3ir6 s THR 1188CO 0.02 0.00 0.79 -0.60 -0.54 0.00 0.00 174.62 174.29 3ir6 s ARG 1189N -4.20 0.74 0.29 3.99 3.52 -1.26 -3.18 118.95 118.85 3ir6 s ARG 1189Ca 0.46 0.92 -0.30 0.00 -0.13 0.00 0.00 55.73 56.69 3ir6 s ARG 1189Cb -0.03 0.34 -0.11 0.00 -1.56 0.00 0.00 34.95 33.59 3ir6 s ARG 1189CO 0.27 -0.10 1.53 0.42 -0.81 0.00 0.00 175.30 176.62 3ir6 s ILE 1190N 0.49 2.24 -0.34 4.11 -1.09 -1.26 -4.90 121.20 120.43 3ir6 s ILE 1190Ca -0.00 0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.64 3ir6 s ILE 1190Cb -0.05 -3.13 0.15 0.00 -1.58 0.00 0.00 42.46 37.85 3ir6 s ILE 1190CO -0.03 0.04 0.36 -0.89 -1.23 0.00 0.00 174.94 173.19 3ir6 s THR 1191N -0.18 -0.38 0.76 2.92 2.01 -1.26 -4.86 115.64 114.64 3ir6 s THR 1191Ca 0.60 -0.79 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 3ir6 s THR 1191Cb -0.46 -0.77 0.05 0.00 0.01 0.00 0.00 72.50 71.33 3ir6 s THR 1191CO 0.49 -0.52 1.15 -2.16 -0.69 0.00 0.00 174.62 172.88 3ir6 s PRO 1192N 1.76 2.09 -0.09 4.92 0.04 -1.26 -4.87 135.00 137.59 3ir6 s PRO 1192Ca 0.14 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.73 3ir6 s PRO 1192Cb -0.15 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 3ir6 s PRO 1192CO -0.13 -1.82 -0.24 0.21 0.04 0.00 0.00 177.00 175.06 3ir6 s LYS 1193N -4.30 2.94 0.15 4.56 2.20 -1.26 -5.05 119.74 118.98 3ir6 s LYS 1193Ca 0.68 -0.86 -0.25 0.00 -0.36 0.00 0.00 55.97 55.18 3ir6 s LYS 1193Cb -0.23 -2.25 0.01 0.00 -1.51 0.00 0.00 37.83 33.85 3ir6 s LYS 1193CO 0.49 0.19 1.60 -1.35 -0.36 0.00 0.00 175.35 175.92 3ir6 h PRO 1194N 6.66 -0.33 0.00 4.03 0.11 -1.97 -2.19 132.00 138.30 3ir6 h PRO 1194Ca -0.21 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3ir6 h PRO 1194Cb 1.23 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3ir6 h PRO 1194CO 0.47 -0.22 0.54 1.79 -0.21 0.00 0.00 178.00 180.37 3ir6 h THR 1195N -0.35 0.00 -0.24 -1.15 1.35 -1.97 0.75 112.91 111.30 3ir6 h THR 1195Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 3ir6 h THR 1195Cb 0.55 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 3ir6 h THR 1195CO -0.44 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.24 3ir6 n HIS 1196N -2.28 0.31 0.55 4.73 8.25 -0.82 -3.93 115.22 122.02 3ir6 n HIS 1196Ca -0.01 -0.15 0.06 0.00 -0.26 0.00 0.00 57.72 57.36 3ir6 n HIS 1196Cb 0.56 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.65 3ir6 n HIS 1196CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3ir6 n MET 1197N 0.72 2.30 -1.70 -0.41 2.81 0.26 -2.90 117.12 118.20 3ir6 n MET 1197Ca 0.17 -0.47 -0.43 0.00 -1.81 0.00 0.00 57.70 55.16 3ir6 n MET 1197Cb 0.42 -1.12 -0.03 0.00 -0.71 0.00 0.00 33.22 31.78 3ir6 n MET 1197CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3ir6 n ILE 1198N -0.54 0.54 -4.22 2.02 5.41 -1.25 -4.50 119.36 116.82 3ir6 n ILE 1198Ca 0.04 -0.13 -0.18 0.00 1.00 0.00 0.00 62.75 63.48 3ir6 n ILE 1198Cb 0.24 -1.76 -0.07 0.00 -0.71 0.00 0.00 39.64 37.33 3ir6 n ILE 1198CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3ir6 s GLY 1199N 0.70 2.05 -1.42 7.39 0.00 -1.12 -4.48 107.32 110.44 3ir6 s GLY 1199Ca 0.71 -1.90 -0.06 0.00 0.00 0.00 0.00 44.72 43.47 3ir6 s GLY 1199CO 0.43 -1.34 0.52 0.61 0.00 0.00 0.00 173.10 173.32 3ir6 n GLY 1200N -0.59 -0.51 2.36 0.20 0.00 -1.19 -4.80 105.19 100.66 3ir6 n GLY 1200Ca 0.05 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3ir6 n GLY 1200CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ir6 n TYR 1201N -4.21 -1.07 0.00 1.61 9.36 -1.18 -2.92 117.16 118.75 3ir6 n TYR 1201Ca -0.08 -3.17 0.00 0.00 3.32 0.00 0.00 57.90 57.97 3ir6 n TYR 1201Cb 0.59 0.19 0.00 0.00 -0.63 0.00 0.00 39.34 39.49 3ir6 n TYR 1201CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ir6 n ALA 1202N 2.24 0.00 0.28 2.98 0.00 -0.07 0.20 120.51 126.13 3ir6 n ALA 1202Ca 0.25 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.86 3ir6 n ALA 1202Cb 0.51 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.84 3ir6 n ALA 1202CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3ir6 h HIS 1203N 0.00 0.00 -1.39 0.00 2.07 -1.88 -2.61 115.15 111.34 3ir6 h HIS 1203Ca 0.00 0.00 -0.70 0.00 -2.85 0.00 0.00 60.37 56.82 3ir6 h HIS 1203Cb 0.00 0.00 -0.30 0.00 2.57 0.00 0.00 27.41 29.68 3ir6 h HIS 1203CO 0.00 0.00 0.69 1.28 -3.07 0.00 0.00 177.93 176.83 3ir6 n LEU 1204N -2.73 7.19 -4.70 6.12 4.77 0.13 -4.73 117.00 123.06 3ir6 n LEU 1204Ca -0.02 -4.60 -0.23 0.00 -0.03 0.00 0.00 56.01 51.13 3ir6 n LEU 1204Cb 0.10 -0.92 -0.06 0.00 -2.33 0.00 0.00 43.42 40.21 3ir6 n LEU 1204CO 0.17 1.69 -0.28 0.00 -1.33 0.00 0.00 177.39 177.64 3ir6 s ALA 1205N -3.88 3.29 0.97 -1.18 0.00 -0.99 -2.77 121.76 117.20 3ir6 s ALA 1205Ca 0.58 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 3ir6 s ALA 1205Cb 0.47 -0.95 0.17 0.00 0.00 0.00 0.00 23.12 22.81 3ir6 s ALA 1205CO -0.17 0.29 1.09 -0.47 0.00 0.00 0.00 175.76 176.49 3ir6 s TYR 1206N -2.20 1.90 -0.30 0.00 6.14 -0.92 -4.40 117.35 117.57 3ir6 s TYR 1206Ca 0.31 1.36 -0.17 0.00 0.64 0.00 0.00 57.07 59.21 3ir6 s TYR 1206Cb -0.07 -3.18 0.21 0.00 0.42 0.00 0.00 41.96 39.33 3ir6 s TYR 1206CO 0.21 -2.88 1.29 0.20 0.64 0.00 0.00 175.55 175.01 3ir6 s GLY 1207N -3.01 0.55 -0.30 8.97 0.00 -1.26 -0.40 107.32 111.87 3ir6 s GLY 1207Ca 0.65 3.83 -0.38 0.00 0.00 0.00 0.00 44.72 48.82 3ir6 s GLY 1207CO 0.59 3.01 1.96 0.33 0.00 0.00 0.00 173.10 179.00 3ir6 n PHE 1208N 3.60 1.87 -0.82 1.90 -0.00 -1.26 0.10 117.46 122.85 3ir6 n PHE 1208Ca -0.13 0.38 0.00 0.00 -0.00 0.00 0.00 57.45 57.70 3ir6 n PHE 1208Cb 0.56 -2.51 0.00 0.00 -0.00 0.00 0.00 39.48 37.53 3ir6 n PHE 1208CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3ir6 n ASN 1209N 7.41 -0.72 -0.01 -2.13 3.02 -1.26 -4.84 115.26 116.73 3ir6 n ASN 1209Ca 0.33 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.67 3ir6 n ASN 1209Cb 0.18 -1.20 -0.14 0.00 -0.61 0.00 0.00 39.78 38.01 3ir6 n ASN 1209CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ir6 n TYR 1210N -2.10 1.24 -3.87 3.10 4.19 0.29 -4.70 117.16 115.31 3ir6 n TYR 1210Ca 0.00 0.30 -0.09 0.00 3.31 0.00 0.00 57.90 61.41 3ir6 n TYR 1210Cb 0.04 -1.16 -0.06 0.00 0.49 0.00 0.00 39.34 38.65 3ir6 n TYR 1210CO 0.00 0.00 0.00 -0.47 0.91 0.00 0.00 176.86 177.30 3ir6 s TYR 1211N -2.53 0.20 0.00 2.98 5.04 -1.07 -4.66 117.35 117.31 3ir6 s TYR 1211Ca -0.23 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 53.82 3ir6 s TYR 1211Cb 0.06 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.40 3ir6 s TYR 1211CO 0.74 -0.69 0.00 0.41 -1.34 0.00 0.00 175.55 174.68 3ir6 n GLY 1212N -0.18 3.77 3.57 8.97 0.00 -1.18 -4.67 105.19 115.46 3ir6 n GLY 1212Ca -0.11 -1.72 -0.45 0.00 0.00 0.00 0.00 46.02 43.74 3ir6 n GLY 1212CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ir6 n THR 1213N -1.64 2.00 -4.21 2.61 -2.24 -1.14 -4.89 114.28 104.76 3ir6 n THR 1213Ca 0.00 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 61.02 3ir6 n THR 1213Cb 0.00 -0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 67.28 3ir6 n THR 1213CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3ir6 s VAL 1214N -1.06 3.70 -0.62 2.28 -7.23 -1.26 -4.48 120.40 111.73 3ir6 s VAL 1214Ca 0.59 -1.48 -0.05 0.00 -1.81 0.00 0.00 61.98 59.24 3ir6 s VAL 1214Cb -0.73 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 33.35 3ir6 s VAL 1214CO 0.59 -0.14 2.83 0.61 -0.31 0.00 0.00 175.10 178.68 3ir6 n GLY 1215N -0.22 4.32 3.76 2.32 0.00 -0.99 -4.78 105.19 109.60 3ir6 n GLY 1215Ca -0.09 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 3ir6 n GLY 1215CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ir6 s SER 1216N 0.70 5.74 0.00 1.61 1.04 -1.26 -4.67 113.70 116.86 3ir6 s SER 1216Ca 0.60 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.61 3ir6 s SER 1216Cb 0.32 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.82 3ir6 s SER 1216CO -0.15 -1.24 0.00 -0.46 0.98 0.00 0.00 173.24 172.37 3ir6 n ASN 1217N -0.68 0.00 0.23 7.02 0.23 -0.76 -4.76 115.26 116.54 3ir6 n ASN 1217Ca 0.08 -1.00 0.06 0.00 -0.53 0.00 0.00 54.58 53.20 3ir6 n ASN 1217Cb 0.46 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.69 3ir6 n ASN 1217CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3ir6 h ARG 1218N 0.00 0.00 0.00 -3.83 2.47 -1.21 -2.50 114.38 109.31 3ir6 h ARG 1218Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3ir6 h ARG 1218Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 3ir6 h ARG 1218CO 0.00 0.18 0.00 -0.44 0.56 0.00 0.00 179.97 180.27 3ir6 h ASP 1219N 0.00 0.00 -3.91 7.04 5.19 -1.89 -3.42 116.42 119.43 3ir6 h ASP 1219Ca -0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 3ir6 h ASP 1219Cb 0.33 0.00 0.15 0.00 0.18 0.00 0.00 39.33 39.99 3ir6 h ASP 1219CO 0.02 0.00 0.50 1.21 -3.12 0.00 0.00 179.24 177.85 3ir6 n GLU 1220N -2.51 1.49 -4.56 3.56 4.07 -0.95 -4.76 120.64 116.98 3ir6 n GLU 1220Ca -0.02 0.55 -0.22 0.00 -0.06 0.00 0.00 57.16 57.41 3ir6 n GLU 1220Cb 0.07 -2.48 -0.14 0.00 -0.06 0.00 0.00 31.44 28.82 3ir6 n GLU 1220CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 3ir6 s PHE 1221N -1.33 1.41 0.29 4.31 0.08 -1.26 -1.10 117.98 120.38 3ir6 s PHE 1221Ca 0.73 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.48 3ir6 s PHE 1221Cb -0.42 -0.87 -0.06 0.00 -0.57 0.00 0.00 43.02 41.11 3ir6 s PHE 1221CO 0.48 0.03 0.08 0.14 -0.10 0.00 0.00 175.22 175.85 3ir6 s VAL 1222N -0.65 0.80 -0.15 -0.44 -7.23 -0.20 -4.73 120.40 107.81 3ir6 s VAL 1222Ca 0.05 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 3ir6 s VAL 1222Cb -0.07 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 3ir6 s VAL 1222CO 0.01 0.00 0.06 -0.69 -0.31 0.00 0.00 175.10 174.16 3ir6 s VAL 1223N -3.56 4.77 0.05 1.32 1.01 -0.11 -1.05 120.40 122.84 3ir6 s VAL 1223Ca 0.37 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.39 3ir6 s VAL 1223Cb 0.08 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3ir6 s VAL 1223CO 0.15 0.52 -0.25 -0.69 0.00 0.00 0.00 175.10 174.82 3ir6 s VAL 1224N -0.16 2.06 -0.17 2.92 1.01 0.08 -1.15 120.40 124.99 3ir6 s VAL 1224Ca 0.07 -1.38 -0.29 0.00 0.00 0.00 0.00 61.98 60.38 3ir6 s VAL 1224Cb -0.12 -1.77 0.12 0.00 0.00 0.00 0.00 36.38 34.61 3ir6 s VAL 1224CO 0.01 0.32 0.97 0.00 0.00 0.00 0.00 175.10 176.40 3ir6 s ARG 1225N -1.28 0.62 0.48 2.72 1.70 -0.87 -1.98 118.95 120.34 3ir6 s ARG 1225Ca 0.11 0.25 -0.22 0.00 -0.47 0.00 0.00 55.73 55.40 3ir6 s ARG 1225Cb -0.10 0.29 -0.07 0.00 -0.57 0.00 0.00 34.95 34.51 3ir6 s ARG 1225CO 0.02 -0.17 1.18 0.21 -1.08 0.00 0.00 175.30 175.46 3ir6 s LYS 1226N -0.84 3.63 0.55 3.89 2.20 -1.26 -0.65 119.74 127.25 3ir6 s LYS 1226Ca -0.02 1.79 -0.07 0.00 -0.36 0.00 0.00 55.97 57.32 3ir6 s LYS 1226Cb -0.01 -2.32 -0.02 0.00 -1.51 0.00 0.00 37.83 33.97 3ir6 s LYS 1226CO 0.01 -0.67 0.88 -1.64 -0.36 0.00 0.00 175.35 173.57 3ir6 s MET 1227N -2.82 3.29 0.00 4.03 -1.94 0.11 -4.77 119.30 117.21 3ir6 s MET 1227Ca 0.66 0.23 0.00 0.00 -1.71 0.00 0.00 55.69 54.87 3ir6 s MET 1227Cb -0.29 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.28 3ir6 s MET 1227CO 0.35 -0.49 0.00 1.17 -0.01 0.00 0.00 175.02 176.04 3ir6 n LYS 1228N -2.49 0.00 -3.11 2.03 4.81 -1.26 -4.55 118.16 113.58 3ir6 n LYS 1228Ca 0.03 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.08 3ir6 n LYS 1228Cb 0.56 -0.11 -0.05 0.00 0.02 0.00 0.00 35.03 35.44 3ir6 n LYS 1228CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3ir6 s ASN 1229N -2.49 6.84 -0.60 3.14 0.01 -1.26 0.29 114.94 120.88 3ir6 s ASN 1229Ca 0.00 1.01 -0.05 0.00 -0.71 0.00 0.00 52.86 53.12 3ir6 s ASN 1229Cb 0.00 -2.37 0.15 0.00 0.41 0.00 0.00 41.25 39.44 3ir6 s ASN 1229CO 0.00 -0.16 0.43 -0.63 -1.51 0.00 0.00 177.10 175.23 3ir6 s ILE 1230N 1.18 3.89 -0.17 0.60 1.09 0.84 -4.85 121.20 123.77 3ir6 s ILE 1230Ca 0.33 -2.64 -0.05 0.00 -1.10 0.00 0.00 60.65 57.19 3ir6 s ILE 1230Cb -0.17 -3.54 -0.03 0.00 -1.06 0.00 0.00 42.46 37.67 3ir6 s ILE 1230CO 0.14 -0.85 -0.01 -1.81 -0.10 0.00 0.00 174.94 172.31 3ir6 s ASP 1231N 1.23 4.97 0.05 3.58 1.01 -1.26 -1.11 116.67 125.14 3ir6 s ASP 1231Ca 0.14 -0.11 0.27 0.00 0.71 0.00 0.00 52.55 53.57 3ir6 s ASP 1231Cb -0.20 -1.83 0.91 0.00 1.01 0.00 0.00 42.92 42.81 3ir6 s ASP 1231CO -0.04 0.14 1.73 0.79 0.21 0.00 0.00 175.17 178.00 3ir6 n TRP 1232N 3.73 0.24 -1.64 4.23 7.02 -1.26 0.12 117.44 129.88 3ir6 n TRP 1232Ca -0.17 0.07 -0.17 0.00 -1.02 0.00 0.00 57.50 56.20 3ir6 n TRP 1232Cb 0.52 -0.55 -0.06 0.00 -2.42 0.00 0.00 31.31 28.80 3ir6 n TRP 1232CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3ir6 n LEU 1233N -1.71 -1.36 -0.62 -0.99 4.32 -1.26 -4.45 117.00 110.93 3ir6 n LEU 1233Ca 0.06 0.36 0.06 0.00 -0.02 0.00 0.00 56.01 56.46 3ir6 n LEU 1233Cb 0.37 -2.49 0.14 0.00 -1.62 0.00 0.00 43.42 39.82 3ir6 n LEU 1233CO 0.30 -0.79 0.61 -0.90 -1.22 0.00 0.00 177.39 175.39 3ir6 n ASP 1234N -0.90 2.83 -0.75 -1.43 5.68 -1.26 -4.97 116.55 115.75 3ir6 n ASP 1234Ca -0.18 -1.95 -0.10 0.00 -0.50 0.00 0.00 54.79 52.06 3ir6 n ASP 1234Cb 0.59 -0.21 -0.04 0.00 -1.14 0.00 0.00 41.12 40.32 3ir6 n ASP 1234CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ir6 n GLY 1235N 0.51 1.02 0.19 6.12 0.00 -1.26 -4.84 105.19 106.94 3ir6 n GLY 1235Ca 0.11 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.09 3ir6 n GLY 1235CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ir6 h GLU 1236N 0.09 0.00 -0.24 1.61 5.08 -1.98 -3.47 114.58 115.67 3ir6 h GLU 1236Ca -0.20 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 3ir6 h GLU 1236Cb 0.94 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 3ir6 h GLU 1236CO 0.29 0.03 -0.10 0.41 -1.00 0.00 0.00 179.01 178.65 3ir6 n GLY 1237N 1.13 0.77 2.77 -3.84 0.00 -1.26 -4.95 105.19 99.81 3ir6 n GLY 1237Ca 0.03 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 3ir6 n GLY 1237CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ir6 n ASN 1238N 0.99 6.09 -4.93 1.61 2.85 -1.26 -5.04 115.26 115.57 3ir6 n ASN 1238Ca -0.05 -3.70 -0.20 0.00 -0.11 0.00 0.00 54.58 50.52 3ir6 n ASN 1238Cb 0.18 -0.88 -0.02 0.00 1.24 0.00 0.00 39.78 40.30 3ir6 n ASN 1238CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 3ir6 s ASP 1239N -2.29 5.59 0.28 1.20 -0.00 -1.26 -4.79 116.67 115.40 3ir6 s ASP 1239Ca 0.44 -0.38 0.03 0.00 -0.00 0.00 0.00 52.55 52.64 3ir6 s ASP 1239Cb 0.25 -1.02 -0.04 0.00 -0.00 0.00 0.00 42.92 42.12 3ir6 s ASP 1239CO -0.16 -0.45 0.15 -1.10 -0.00 0.00 0.00 175.17 173.62 3ir6 s GLN 1240N -4.12 1.52 -0.06 8.23 1.11 -0.26 -5.01 119.66 121.07 3ir6 s GLN 1240Ca 0.45 -1.85 -0.03 0.00 0.01 0.00 0.00 55.36 53.94 3ir6 s GLN 1240Cb -0.08 -0.03 0.04 0.00 -1.01 0.00 0.00 33.01 31.93 3ir6 s GLN 1240CO 0.29 -0.43 0.10 0.08 0.01 0.00 0.00 175.29 175.34 3ir6 s VAL 1241N -3.70 -0.18 0.06 1.09 1.01 -1.26 -0.11 120.40 117.31 3ir6 s VAL 1241Ca 0.37 0.40 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 3ir6 s VAL 1241Cb 0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 36.38 36.16 3ir6 s VAL 1241CO 0.17 0.16 0.73 -1.10 0.00 0.00 0.00 175.10 175.07 3ir6 s GLN 1242N 2.22 4.47 0.53 2.72 -0.21 0.15 -4.99 119.66 124.54 3ir6 s GLN 1242Ca 0.04 1.02 -0.05 0.00 0.02 0.00 0.00 55.36 56.39 3ir6 s GLN 1242Cb -0.12 -3.33 -0.01 0.00 1.00 0.00 0.00 33.01 30.55 3ir6 s GLN 1242CO -0.04 0.37 0.82 -2.00 -2.12 0.00 0.00 175.29 172.32 3ir6 s GLU 1243N -0.34 3.17 0.00 2.91 2.56 -1.26 -4.67 118.70 121.06 3ir6 s GLU 1243Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.97 55.31 3ir6 s GLU 1243Cb -0.21 -2.36 0.00 0.00 2.00 0.00 0.00 34.13 33.56 3ir6 s GLU 1243CO 0.23 -0.44 0.00 0.43 -0.56 0.00 0.00 175.26 174.91