#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y5i h LYS 2 N 0.00 0.75 -0.21 -1.46 1.57 -2.07 -0.16 116.57 115.00 1y5i h LYS 2 Ca 0.00 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1y5i h LYS 2 Cb 0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1y5i h LYS 2 CO 0.00 0.56 0.06 0.35 -0.57 0.00 0.00 179.45 179.85 1y5i h PHE 3 N 0.76 0.34 -0.29 -1.35 3.57 -2.08 -2.45 116.94 115.43 1y5i h PHE 3 Ca 0.20 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1y5i h PHE 3 Cb 0.03 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1y5i h PHE 3 CO 0.00 0.42 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.36 1y5i h LEU 4 N 0.16 0.44 -1.93 0.59 3.38 -1.95 -2.19 115.31 113.82 1y5i h LEU 4 Ca 0.07 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.07 1y5i h LEU 4 Cb 0.24 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1y5i h LEU 4 CO -0.00 0.56 0.35 0.44 0.09 0.00 0.00 178.44 179.88 1y5i h ASP 5 N 0.44 0.07 -0.37 -0.43 3.45 -0.55 -0.89 116.42 118.14 1y5i h ASP 5 Ca 0.09 0.00 0.11 0.00 0.43 0.00 0.00 57.03 57.66 1y5i h ASP 5 Cb 0.40 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 1y5i h ASP 5 CO 0.02 0.04 0.29 0.03 -1.57 0.00 0.00 179.24 178.05 1y5i h ARG 6 N 0.07 0.00 0.00 3.56 3.08 -1.20 -0.59 114.38 119.30 1y5i h ARG 6 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1y5i h ARG 6 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1y5i h ARG 6 CO -0.02 0.00 0.00 0.74 -1.07 0.00 0.00 179.97 179.62 1y5i h PHE 7 N 0.00 0.00 -0.12 3.04 -1.00 -1.31 -2.53 116.94 115.02 1y5i h PHE 7 Ca 0.17 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.95 1y5i h PHE 7 Cb 0.75 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.31 1y5i h PHE 7 CO 0.00 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.24 1y5i n ARG 8 N -2.36 1.34 0.00 1.51 1.74 -0.23 -4.54 116.66 114.13 1y5i n ARG 8 Ca 0.03 -0.53 0.00 0.00 -0.77 0.00 0.00 57.85 56.59 1y5i n ARG 8 Cb 0.33 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 1y5i n ARG 8 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1y5i n TYR 9 N -0.15 0.00 -0.18 -1.55 4.19 -0.95 -1.24 117.16 117.28 1y5i n TYR 9 Ca 0.09 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.23 1y5i n TYR 9 Cb 0.15 -0.18 0.02 0.00 0.49 0.00 0.00 39.34 39.82 1y5i n TYR 9 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1y5i h PHE 10 N 0.00 0.69 0.00 2.98 0.04 -1.88 -2.94 116.94 115.84 1y5i h PHE 10 Ca 0.00 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1y5i h PHE 10 Cb 0.00 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 1y5i h PHE 10 CO -0.35 0.51 -0.04 0.87 -0.60 0.00 0.00 178.31 178.70 1y5i h LYS 11 N 0.68 0.00 -0.06 1.51 1.57 -1.49 -2.11 116.57 116.67 1y5i h LYS 11 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1y5i h LYS 11 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1y5i h LYS 11 CO -0.03 0.04 0.00 1.04 -0.57 0.00 0.00 179.45 179.93 1y5i n GLN 12 N -4.07 1.18 -3.17 3.15 6.02 -0.47 -4.79 117.38 115.22 1y5i n GLN 12 Ca -0.03 -0.27 -0.40 0.00 -0.01 0.00 0.00 57.00 56.29 1y5i n GLN 12 Cb 0.12 -1.17 -0.07 0.00 1.02 0.00 0.00 30.24 30.14 1y5i n GLN 12 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1y5i s LYS 13 N -1.92 3.99 0.00 -1.09 1.02 -0.80 -0.16 119.74 120.79 1y5i s LYS 13 Ca 0.15 0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.47 1y5i s LYS 13 Cb 0.07 -3.69 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1y5i s LYS 13 CO 0.12 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.51 1y5i n GLY 14 N 4.39 1.57 3.78 -3.33 0.00 0.95 -4.93 105.19 107.61 1y5i n GLY 14 Ca -0.03 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 1y5i n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y5i s GLU 15 N 2.86 3.43 0.66 1.61 2.02 -1.26 -4.60 118.70 123.41 1y5i s GLU 15 Ca 0.00 1.57 -0.07 0.00 0.02 0.00 0.00 54.97 56.49 1y5i s GLU 15 Cb 0.00 -2.02 0.03 0.00 0.10 0.00 0.00 34.13 32.24 1y5i s GLU 15 CO 0.00 -0.78 0.98 0.95 0.02 0.00 0.00 175.26 176.43 1y5i s THR 16 N -1.81 2.96 0.17 3.63 -4.23 -1.26 -1.30 115.64 113.81 1y5i s THR 16 Ca 0.72 -0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 61.06 1y5i s THR 16 Cb -0.23 -3.24 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 1y5i s THR 16 CO 0.26 -0.25 0.28 0.72 -0.54 0.00 0.00 174.62 175.08 1y5i s PHE 17 N -3.15 0.49 -1.37 3.99 -0.12 0.07 -4.86 117.98 113.02 1y5i s PHE 17 Ca 0.57 -0.84 -0.03 0.00 -0.05 0.00 0.00 56.93 56.58 1y5i s PHE 17 Cb -0.11 -0.10 0.02 0.00 -0.63 0.00 0.00 43.02 42.21 1y5i s PHE 17 CO 0.46 -0.73 0.75 0.00 -0.05 0.00 0.00 175.22 175.65 1y5i n ALA 18 N -0.23 -1.84 -3.79 1.99 0.00 -1.26 -1.82 120.51 113.56 1y5i n ALA 18 Ca -0.06 -0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 1y5i n ALA 18 Cb 0.63 -2.54 0.03 0.00 0.00 0.00 0.00 19.45 17.57 1y5i n ALA 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1y5i n ASP 19 N -3.00 -2.57 0.00 0.00 8.00 -1.26 -1.98 116.55 115.74 1y5i n ASP 19 Ca -0.22 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.47 1y5i n ASP 19 Cb 0.64 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.77 1y5i n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y5i n GLY 20 N -1.64 1.01 0.19 0.44 0.00 -1.06 -4.90 105.19 99.23 1y5i n GLY 20 Ca -0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1y5i n GLY 20 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1y5i h HIS 21 N 0.00 0.00 -3.77 1.61 6.17 -1.14 -3.47 115.15 114.56 1y5i h HIS 21 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 60.37 60.84 1y5i h HIS 21 Cb 0.00 0.00 -0.15 0.00 2.52 0.00 0.00 27.41 29.78 1y5i h HIS 21 CO 0.00 0.28 -0.69 0.20 0.71 0.00 0.00 177.93 178.43 1y5i s GLY 22 N -4.33 0.86 -0.05 5.26 0.00 -0.76 -5.01 107.32 103.30 1y5i s GLY 22 Ca 0.03 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.36 1y5i s GLY 22 CO 0.68 -1.48 -0.03 1.62 0.00 0.00 0.00 173.10 173.88 1y5i s GLN 23 N -3.84 0.75 -0.12 2.90 2.00 -1.26 -0.75 119.66 119.33 1y5i s GLN 23 Ca 0.14 -0.06 -0.16 0.00 -2.00 0.00 0.00 55.36 53.28 1y5i s GLN 23 Cb 0.05 -0.82 -0.04 0.00 0.80 0.00 0.00 33.01 33.00 1y5i s GLN 23 CO -0.03 -0.12 0.41 -1.17 -0.50 0.00 0.00 175.29 173.88 1y5i s LEU 24 N 1.06 4.28 0.16 3.68 2.96 -0.42 -4.97 118.68 125.43 1y5i s LEU 24 Ca -0.09 0.72 0.08 0.00 -0.22 0.00 0.00 54.13 54.62 1y5i s LEU 24 Cb -0.14 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 1y5i s LEU 24 CO -0.01 0.06 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.26 1y5i s LEU 25 N 0.43 3.10 -0.70 -0.68 1.43 -1.26 -0.04 118.68 120.96 1y5i s LEU 25 Ca 0.23 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.90 1y5i s LEU 25 Cb -0.14 -1.81 0.26 0.00 0.03 0.00 0.00 46.19 44.53 1y5i s LEU 25 CO 0.08 0.12 0.87 0.59 0.23 0.00 0.00 176.35 178.24 1y5i n ASN 26 N 0.16 4.21 -4.59 2.29 3.02 0.77 -4.85 115.26 116.27 1y5i n ASN 26 Ca -0.11 -3.46 -0.25 0.00 -0.03 0.00 0.00 54.58 50.73 1y5i n ASN 26 Cb 0.54 -0.75 -0.09 0.00 -0.61 0.00 0.00 39.78 38.87 1y5i n ASN 26 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1y5i s THR 27 N -2.64 2.63 0.37 3.41 -1.32 -1.26 -4.76 115.64 112.06 1y5i s THR 27 Ca 0.39 -2.08 -0.27 0.00 -1.21 0.00 0.00 61.69 58.52 1y5i s THR 27 Cb 0.14 -2.69 -0.12 0.00 -1.51 0.00 0.00 72.50 68.32 1y5i s THR 27 CO -0.00 -0.25 1.16 -3.20 -2.21 0.00 0.00 174.62 170.12 1y5i n ASN 28 N -0.86 2.07 -0.08 8.08 2.85 -1.26 -4.93 115.26 121.13 1y5i n ASN 28 Ca -0.05 1.14 0.01 0.00 -0.11 0.00 0.00 54.58 55.58 1y5i n ASN 28 Cb 0.62 -1.42 0.02 0.00 1.24 0.00 0.00 39.78 40.24 1y5i n ASN 28 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1y5i n ARG 29 N 0.39 1.13 0.04 1.20 1.74 -1.26 -4.84 116.66 115.05 1y5i n ARG 29 Ca 0.07 -1.15 0.20 0.00 -0.77 0.00 0.00 57.85 56.21 1y5i n ARG 29 Cb 0.37 -0.78 0.72 0.00 -1.02 0.00 0.00 32.46 31.75 1y5i n ARG 29 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1y5i h ASP 30 N 0.00 0.00 -0.13 0.55 3.32 -2.05 -1.73 116.42 116.37 1y5i h ASP 30 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1y5i h ASP 30 Cb 0.90 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1y5i h ASP 30 CO 0.00 0.00 0.15 4.11 -1.72 0.00 0.00 179.24 181.78 1y5i h TRP 31 N 0.00 0.00 0.00 4.55 5.08 -2.02 -1.66 115.95 121.89 1y5i h TRP 31 Ca 0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.20 1y5i h TRP 31 Cb 0.99 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1y5i h TRP 31 CO 0.00 0.00 0.16 0.93 -1.28 0.00 0.00 178.44 178.25 1y5i h GLU 32 N 0.00 0.00 0.00 0.12 5.08 -1.72 -1.06 114.58 117.00 1y5i h GLU 32 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1y5i h GLU 32 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1y5i h GLU 32 CO -0.00 0.00 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.49 1y5i h ASP 33 N 0.00 0.00 -0.80 1.42 3.32 -1.53 -3.05 116.42 115.78 1y5i h ASP 33 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1y5i h ASP 33 Cb 0.32 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 1y5i h ASP 33 CO 0.00 0.08 0.49 1.23 -1.72 0.00 0.00 179.24 179.31 1y5i h GLY 34 N 0.60 1.20 1.57 2.75 0.00 -1.42 0.32 103.07 108.08 1y5i h GLY 34 Ca -0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 47.33 46.73 1y5i h GLY 34 CO 0.01 0.24 -1.30 -0.97 0.00 0.00 0.00 176.54 174.52 1y5i h TYR 35 N 0.89 0.09 -0.64 5.60 -1.99 -1.77 -3.31 116.97 115.85 1y5i h TYR 35 Ca 0.35 -0.07 0.03 0.00 2.00 0.00 0.00 58.73 61.04 1y5i h TYR 35 Cb 0.17 -0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.85 1y5i h TYR 35 CO -0.04 1.07 0.39 0.00 -0.00 0.00 0.00 178.16 179.58 1y5i h ARG 36 N 0.01 0.75 0.00 4.88 3.08 -1.36 -2.06 114.38 119.68 1y5i h ARG 36 Ca -0.13 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1y5i h ARG 36 Cb 1.89 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.77 1y5i h ARG 36 CO 0.12 0.50 0.00 1.96 -1.07 0.00 0.00 179.97 181.48 1y5i h GLN 37 N 0.77 0.00 0.13 0.04 4.20 -1.05 -2.30 115.11 116.90 1y5i h GLN 37 Ca 0.26 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.75 1y5i h GLN 37 Cb 0.03 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.83 1y5i h GLN 37 CO -0.11 0.00 -0.91 -0.09 -0.67 0.00 0.00 178.83 177.05 1y5i h ARG 38 N 0.00 0.40 -0.21 1.46 9.65 -1.46 -3.30 114.38 120.91 1y5i h ARG 38 Ca 0.00 -0.60 -0.06 0.00 -1.10 0.00 0.00 59.98 58.23 1y5i h ARG 38 Cb 0.34 0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1y5i h ARG 38 CO 0.00 1.26 -0.12 2.35 2.80 0.00 0.00 179.97 186.26 1y5i h TRP 39 N -0.17 0.36 -4.04 2.20 2.91 -1.14 -3.43 115.95 112.65 1y5i h TRP 39 Ca -0.15 -0.05 -0.55 0.00 1.13 0.00 0.00 58.89 59.28 1y5i h TRP 39 Cb 1.68 -0.10 0.13 0.00 -0.51 0.00 0.00 29.16 30.36 1y5i h TRP 39 CO 0.17 0.46 0.61 -0.65 -1.03 0.00 0.00 178.44 178.00 1y5i s GLN 40 N -4.73 3.21 0.21 2.65 -0.21 -0.91 -5.01 119.66 114.86 1y5i s GLN 40 Ca -0.06 2.23 -0.10 0.00 0.02 0.00 0.00 55.36 57.45 1y5i s GLN 40 Cb 0.15 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.86 1y5i s GLN 40 CO 0.75 -1.14 0.37 -3.38 -2.12 0.00 0.00 175.29 169.77 1y5i s HIS 41 N -1.30 0.43 0.11 0.91 -3.43 -1.26 -4.94 115.29 105.80 1y5i s HIS 41 Ca 0.70 -0.78 -0.10 0.00 -0.80 0.00 0.00 55.06 54.09 1y5i s HIS 41 Cb -0.40 0.02 -0.14 0.00 -1.43 0.00 0.00 32.58 30.63 1y5i s HIS 41 CO 0.48 -0.84 1.28 -0.44 -2.00 0.00 0.00 174.74 173.22 1y5i h ASP 42 N 2.40 0.79 -5.82 7.38 3.45 -0.09 -3.49 116.42 121.05 1y5i h ASP 42 Ca -0.30 -0.59 0.34 0.00 0.43 0.00 0.00 57.03 56.92 1y5i h ASP 42 Cb 1.24 -0.24 -0.12 0.00 -0.56 0.00 0.00 39.33 39.66 1y5i h ASP 42 CO 0.42 1.38 0.86 -1.59 -1.57 0.00 0.00 179.24 178.75 1y5i s LYS 43 N -3.47 0.33 0.03 3.56 -2.85 -1.15 -5.01 119.74 111.17 1y5i s LYS 43 Ca -0.09 -0.19 0.06 0.00 -1.00 0.00 0.00 55.97 54.76 1y5i s LYS 43 Cb 0.08 0.11 -0.02 0.00 -2.06 0.00 0.00 37.83 35.94 1y5i s LYS 43 CO 0.90 -0.15 -0.19 0.96 0.10 0.00 0.00 175.35 176.97 1y5i s ILE 44 N -2.32 1.49 0.02 3.79 -4.36 -1.26 -1.90 121.20 116.67 1y5i s ILE 44 Ca 0.16 -1.06 0.06 0.00 -0.26 0.00 0.00 60.65 59.55 1y5i s ILE 44 Cb 0.05 -1.30 -0.02 0.00 1.25 0.00 0.00 42.46 42.44 1y5i s ILE 44 CO -0.04 0.21 -0.19 -0.69 0.24 0.00 0.00 174.94 174.47 1y5i s VAL 45 N -0.72 1.48 -0.06 8.37 1.01 -0.16 -4.89 120.40 125.42 1y5i s VAL 45 Ca 0.06 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 1y5i s VAL 45 Cb -0.08 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1y5i s VAL 45 CO 0.01 0.24 0.74 -0.60 0.00 0.00 0.00 175.10 175.49 1y5i s ARG 46 N -0.89 4.44 0.33 2.72 3.52 -1.26 -0.07 118.95 127.73 1y5i s ARG 46 Ca 0.06 0.95 -0.04 0.00 -0.13 0.00 0.00 55.73 56.57 1y5i s ARG 46 Cb -0.08 -3.46 0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1y5i s ARG 46 CO 0.01 0.03 0.49 0.45 -0.81 0.00 0.00 175.30 175.47 1y5i n SER 47 N 3.87 -1.39 -0.52 -2.12 2.88 -0.46 -3.60 113.62 112.28 1y5i n SER 47 Ca -0.00 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.87 1y5i n SER 47 Cb 0.51 2.51 0.00 0.00 -0.75 0.00 0.00 64.21 66.48 1y5i n SER 47 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1y5i n THR 48 N -0.52 0.00 -4.60 2.46 5.66 -1.18 0.08 114.28 116.19 1y5i n THR 48 Ca -0.01 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.67 1y5i n THR 48 Cb 0.53 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.15 1y5i n THR 48 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1y5i s HIS 49 N -2.98 2.60 -1.35 1.09 3.76 -1.26 -4.75 115.29 112.39 1y5i s HIS 49 Ca 0.00 -1.32 -0.07 0.00 -0.15 0.00 0.00 55.06 53.52 1y5i s HIS 49 Cb 0.00 -1.78 0.11 0.00 1.11 0.00 0.00 32.58 32.02 1y5i s HIS 49 CO 0.00 -0.62 2.33 0.41 -0.85 0.00 0.00 174.74 176.01 1y5i n GLY 50 N 4.13 5.00 3.25 -2.22 0.00 -1.26 -4.84 105.19 109.26 1y5i n GLY 50 Ca -0.20 -2.00 -0.20 0.00 0.00 0.00 0.00 46.02 43.63 1y5i n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y5i s VAL 51 N -0.36 1.45 -1.37 1.61 0.11 -1.26 -4.88 120.40 115.69 1y5i s VAL 51 Ca 0.52 -1.61 -0.14 0.00 -2.93 0.00 0.00 61.98 57.83 1y5i s VAL 51 Cb 0.16 -1.48 0.09 0.00 -1.53 0.00 0.00 36.38 33.62 1y5i s VAL 51 CO -0.07 -0.27 1.99 -3.20 -3.33 0.00 0.00 175.10 170.22 1y5i n ASN 52 N 0.80 4.47 -0.00 3.54 5.15 -1.26 -4.50 115.26 123.46 1y5i n ASN 52 Ca -0.17 -2.93 0.02 0.00 -0.60 0.00 0.00 54.58 50.89 1y5i n ASN 52 Cb 0.55 -1.63 -0.03 0.00 -0.53 0.00 0.00 39.78 38.15 1y5i n ASN 52 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1y5i n THR 54 N -1.48 0.00 0.17 0.00 -2.24 -1.26 -4.86 114.28 104.61 1y5i n THR 54 Ca -0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1y5i n THR 54 Cb 0.09 -0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.24 1y5i n THR 54 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1y5i h GLY 55 N 0.00 -0.39 -6.16 3.38 0.00 -1.94 -3.41 103.07 94.55 1y5i h GLY 55 Ca 0.00 0.14 -0.42 0.00 0.00 0.00 0.00 47.33 47.05 1y5i h GLY 55 CO 0.00 -0.14 -0.89 -1.26 0.00 0.00 0.00 176.54 174.25 1y5i n SER 56 N -5.22 -3.18 -4.80 0.19 2.88 -1.26 -4.94 113.62 97.28 1y5i n SER 56 Ca -0.10 -0.92 -0.36 0.00 -1.33 0.00 0.00 58.87 56.16 1y5i n SER 56 Cb 0.19 -3.71 -0.07 0.00 -0.75 0.00 0.00 64.21 59.87 1y5i n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y5i s SER 58 N -0.31 6.90 0.24 0.00 0.15 -1.26 -4.31 113.70 115.10 1y5i s SER 58 Ca 0.11 1.07 0.10 0.00 0.70 0.00 0.00 55.95 57.93 1y5i s SER 58 Cb -0.11 -2.34 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 1y5i s SER 58 CO 0.01 0.09 -0.18 0.26 1.20 0.00 0.00 173.24 174.62 1y5i s TRP 59 N -0.04 2.06 -0.32 3.44 0.52 0.11 -1.03 118.94 123.68 1y5i s TRP 59 Ca 0.30 -0.42 -0.14 0.00 0.02 0.00 0.00 56.10 55.85 1y5i s TRP 59 Cb -0.17 -0.93 -0.02 0.00 -1.15 0.00 0.00 33.47 31.20 1y5i s TRP 59 CO 0.15 0.56 0.33 0.15 0.02 0.00 0.00 176.95 178.16 1y5i s LYS 60 N -3.45 3.67 -0.26 4.98 1.02 0.69 -1.36 119.74 125.03 1y5i s LYS 60 Ca 0.26 -0.36 -0.14 0.00 0.02 0.00 0.00 55.97 55.75 1y5i s LYS 60 Cb -0.04 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 1y5i s LYS 60 CO 0.11 -0.44 0.33 0.42 -0.92 0.00 0.00 175.35 174.85 1y5i s ILE 61 N 1.96 5.22 -0.16 2.17 -1.09 0.90 -2.01 121.20 128.19 1y5i s ILE 61 Ca 0.11 0.49 -0.17 0.00 -2.23 0.00 0.00 60.65 58.85 1y5i s ILE 61 Cb -0.16 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1y5i s ILE 61 CO 0.11 0.20 0.45 -0.31 -1.23 0.00 0.00 174.94 174.17 1y5i s TYR 62 N 1.80 3.45 -0.13 3.97 2.02 -0.10 -0.99 117.35 127.36 1y5i s TYR 62 Ca 0.14 0.78 -0.01 0.00 -0.37 0.00 0.00 57.07 57.60 1y5i s TYR 62 Cb -0.15 -2.55 -0.02 0.00 -0.40 0.00 0.00 41.96 38.84 1y5i s TYR 62 CO 0.09 0.08 -0.09 0.08 -1.57 0.00 0.00 175.55 174.15 1y5i s VAL 63 N 0.95 3.46 -0.07 0.71 1.01 -0.80 -1.06 120.40 124.61 1y5i s VAL 63 Ca 0.23 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1y5i s VAL 63 Cb -0.15 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1y5i s VAL 63 CO 0.09 0.52 0.17 -0.75 0.00 0.00 0.00 175.10 175.13 1y5i s LYS 64 N 0.22 0.18 -1.56 2.72 2.20 0.49 0.71 119.74 124.70 1y5i s LYS 64 Ca -0.06 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1y5i s LYS 64 Cb -0.15 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 1y5i s LYS 64 CO 0.04 -0.07 0.00 0.09 -0.36 0.00 0.00 175.35 175.05 1y5i n ASN 65 N 3.40 -5.10 -0.59 1.43 4.13 -1.26 -1.05 115.26 116.22 1y5i n ASN 65 Ca -0.17 0.11 -0.08 0.00 1.68 0.00 0.00 54.58 56.12 1y5i n ASN 65 Cb 0.57 -4.31 -0.03 0.00 -1.54 0.00 0.00 39.78 34.47 1y5i n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1y5i n GLY 66 N -0.86 0.94 3.24 7.41 0.00 -1.26 -5.00 105.19 109.66 1y5i n GLY 66 Ca -0.21 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 1y5i n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y5i s LEU 67 N -1.76 2.42 -0.17 0.99 1.43 -0.21 -5.08 118.68 116.30 1y5i s LEU 67 Ca 0.00 -0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 51.97 1y5i s LEU 67 Cb 0.00 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 1y5i s LEU 67 CO 0.00 -0.18 1.17 -0.69 0.23 0.00 0.00 176.35 176.88 1y5i s VAL 68 N -2.34 4.43 -0.13 -1.59 1.01 -1.26 -0.38 120.40 120.14 1y5i s VAL 68 Ca 0.10 1.73 0.05 0.00 0.00 0.00 0.00 61.98 63.85 1y5i s VAL 68 Cb -0.04 -4.11 -0.11 0.00 0.00 0.00 0.00 36.38 32.12 1y5i s VAL 68 CO 0.03 -0.12 -0.06 0.35 0.00 0.00 0.00 175.10 175.30 1y5i n THR 69 N 5.21 0.80 -3.86 3.92 -2.24 -0.22 -4.94 114.28 112.94 1y5i n THR 69 Ca 0.13 -0.38 -0.03 0.00 -2.27 0.00 0.00 64.05 61.49 1y5i n THR 69 Cb 0.46 -0.88 0.02 0.00 -2.10 0.00 0.00 70.33 67.82 1y5i n THR 69 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1y5i s TRP 70 N -2.28 0.05 0.03 4.78 -2.14 -1.24 -4.96 118.94 113.18 1y5i s TRP 70 Ca -0.13 -0.46 0.00 0.00 2.66 0.00 0.00 56.10 58.16 1y5i s TRP 70 Cb 0.04 0.70 -0.02 0.00 -3.10 0.00 0.00 33.47 31.09 1y5i s TRP 70 CO 0.38 -0.95 -0.03 -1.83 -2.66 0.00 0.00 176.95 171.85 1y5i s GLU 71 N -2.29 0.37 0.03 3.25 1.03 -1.26 -0.93 118.70 118.91 1y5i s GLU 71 Ca 0.20 -0.71 -0.00 0.00 0.03 0.00 0.00 54.97 54.49 1y5i s GLU 71 Cb -0.03 0.09 -0.03 0.00 -0.80 0.00 0.00 34.13 33.36 1y5i s GLU 71 CO 0.05 -0.05 -0.03 0.95 -1.33 0.00 0.00 175.26 174.85 1y5i s THR 72 N -1.80 0.17 0.42 1.83 -4.23 -0.85 -4.98 115.64 106.20 1y5i s THR 72 Ca -0.12 -1.23 -0.25 0.00 -1.18 0.00 0.00 61.69 58.91 1y5i s THR 72 Cb -0.07 -0.71 -0.08 0.00 1.34 0.00 0.00 72.50 72.97 1y5i s THR 72 CO -0.02 -0.67 1.21 -1.10 -0.54 0.00 0.00 174.62 173.50 1y5i s GLN 73 N -2.32 3.91 0.65 3.99 1.11 -1.26 -0.22 119.66 125.52 1y5i s GLN 73 Ca -0.08 1.92 -0.15 0.00 0.01 0.00 0.00 55.36 57.07 1y5i s GLN 73 Cb -0.04 -2.61 -0.01 0.00 -1.01 0.00 0.00 33.01 29.34 1y5i s GLN 73 CO -0.04 -0.46 1.09 -0.65 0.01 0.00 0.00 175.29 175.23 1y5i s GLN 74 N -2.41 2.96 -0.02 2.91 -1.52 -0.20 -4.67 119.66 116.72 1y5i s GLN 74 Ca 0.59 1.27 0.03 0.00 -1.95 0.00 0.00 55.36 55.30 1y5i s GLN 74 Cb -0.32 -1.98 0.04 0.00 -0.22 0.00 0.00 33.01 30.53 1y5i s GLN 74 CO 0.41 -1.11 0.84 0.25 -0.25 0.00 0.00 175.29 175.43 1y5i n THR 75 N -2.41 0.60 -0.99 -0.19 -2.24 -1.26 -4.74 114.28 103.06 1y5i n THR 75 Ca 0.09 -0.66 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 1y5i n THR 75 Cb 0.52 0.57 0.26 0.00 -2.10 0.00 0.00 70.33 69.59 1y5i n THR 75 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1y5i n ASP 76 N -0.38 4.47 -4.73 3.42 5.75 -1.26 -4.77 116.55 119.05 1y5i n ASP 76 Ca 0.02 -3.26 -0.35 0.00 -0.01 0.00 0.00 54.79 51.19 1y5i n ASP 76 Cb 0.47 -0.76 0.07 0.00 -1.03 0.00 0.00 41.12 39.87 1y5i n ASP 76 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1y5i s TYR 77 N -2.94 2.16 0.25 2.11 1.51 -1.26 -4.71 117.35 114.46 1y5i s TYR 77 Ca 0.53 1.56 -0.31 0.00 -1.01 0.00 0.00 57.07 57.84 1y5i s TYR 77 Cb 0.43 -3.51 -0.13 0.00 -0.11 0.00 0.00 41.96 38.65 1y5i s TYR 77 CO 0.12 -2.55 1.56 -2.30 -1.11 0.00 0.00 175.55 171.28 1y5i n PRO 78 N -2.29 2.44 -2.36 -1.71 -0.02 -1.26 -4.90 135.00 124.90 1y5i n PRO 78 Ca 0.14 0.87 -0.35 0.00 -2.02 0.00 0.00 63.50 62.14 1y5i n PRO 78 Cb 0.50 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 1y5i n PRO 78 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1y5i s ARG 79 N -0.01 3.59 0.90 -0.52 0.52 -1.26 -4.86 118.95 117.30 1y5i s ARG 79 Ca 0.69 1.56 -0.14 0.00 -0.52 0.00 0.00 55.73 57.31 1y5i s ARG 79 Cb -0.57 -2.12 0.15 0.00 0.52 0.00 0.00 34.95 32.94 1y5i s ARG 79 CO 0.45 -0.65 1.26 0.95 0.02 0.00 0.00 175.30 177.34 1y5i s THR 80 N -1.79 2.00 0.72 0.02 -4.23 -1.26 -5.01 115.64 106.08 1y5i s THR 80 Ca 0.69 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 61.04 1y5i s THR 80 Cb -0.22 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.57 1y5i s THR 80 CO 0.26 0.00 0.42 0.54 -0.54 0.00 0.00 174.62 175.30 1y5i n ARG 81 N -3.60 0.26 -0.00 3.99 1.74 -1.26 -4.82 116.66 112.96 1y5i n ARG 81 Ca 0.12 0.12 0.17 0.00 -0.77 0.00 0.00 57.85 57.49 1y5i n ARG 81 Cb 0.60 -1.73 0.63 0.00 -1.02 0.00 0.00 32.46 30.94 1y5i n ARG 81 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1y5i h PRO 82 N -0.39 0.11 -0.12 5.56 0.11 -1.96 -1.37 132.00 133.94 1y5i h PRO 82 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1y5i h PRO 82 Cb 1.35 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1y5i h PRO 82 CO 0.42 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 1y5i n ASP 83 N -4.42 0.97 -4.31 -2.05 5.75 -1.26 -4.84 116.55 106.39 1y5i n ASP 83 Ca 0.09 -1.71 -0.26 0.00 -0.01 0.00 0.00 54.79 52.90 1y5i n ASP 83 Cb 0.50 -0.08 -0.13 0.00 -1.03 0.00 0.00 41.12 40.38 1y5i n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1y5i s LEU 84 N -1.40 2.27 0.70 -2.12 1.43 -0.52 -5.08 118.68 113.96 1y5i s LEU 84 Ca 0.25 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 1y5i s LEU 84 Cb 0.13 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.37 1y5i s LEU 84 CO 0.20 0.11 1.11 -2.84 0.23 0.00 0.00 176.35 175.16 1y5i s PRO 85 N -1.77 2.59 0.68 1.29 0.02 -1.26 -4.69 135.00 131.86 1y5i s PRO 85 Ca 0.09 1.36 -0.05 0.00 0.02 0.00 0.00 61.00 62.42 1y5i s PRO 85 Cb -0.10 -1.93 0.06 0.00 0.02 0.00 0.00 34.50 32.55 1y5i s PRO 85 CO 0.04 -1.41 0.97 -0.80 -0.33 0.00 0.00 177.00 175.47 1y5i s ASN 86 N -2.74 4.88 0.13 2.53 0.01 -1.26 -4.70 114.94 113.79 1y5i s ASN 86 Ca 0.66 0.34 0.03 0.00 -0.71 0.00 0.00 52.86 53.19 1y5i s ASN 86 Cb -0.20 -1.03 -0.15 0.00 0.41 0.00 0.00 41.25 40.28 1y5i s ASN 86 CO 0.45 -1.52 1.29 0.45 -1.51 0.00 0.00 177.10 176.26 1y5i h HIS 87 N -0.47 0.18 -3.85 2.20 3.86 -1.94 -3.47 115.15 111.65 1y5i h HIS 87 Ca -0.44 -0.12 -0.56 0.00 -1.16 0.00 0.00 60.37 58.09 1y5i h HIS 87 Cb 1.31 -0.01 0.15 0.00 1.06 0.00 0.00 27.41 29.92 1y5i h HIS 87 CO 0.32 1.04 0.42 -0.85 0.86 0.00 0.00 177.93 179.72 1y5i n GLU 88 N -3.49 1.30 0.00 2.45 -0.00 -1.26 -2.78 120.64 116.86 1y5i n GLU 88 Ca -0.03 0.49 0.12 0.00 -0.00 0.00 0.00 57.16 57.74 1y5i n GLU 88 Cb 0.91 -2.42 0.29 0.00 -0.00 0.00 0.00 31.44 30.22 1y5i n GLU 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1y5i n PRO 89 N -1.17 0.14 0.00 3.44 -0.04 -1.26 -5.12 135.00 131.00 1y5i n PRO 89 Ca 0.13 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1y5i n PRO 89 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1y5i n PRO 89 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1y5i n ARG 90 N -1.36 0.00 0.00 0.54 1.74 -1.12 -4.60 116.66 111.86 1y5i n ARG 90 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1y5i n ARG 90 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.78 1y5i n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y5i n GLY 91 N 0.00 0.01 3.64 -0.13 0.00 -1.26 -4.89 105.19 102.56 1y5i n GLY 91 Ca 0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 1y5i n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y5i h PRO 93 N 2.00 0.59 0.22 0.00 0.13 -1.99 -2.07 132.00 130.88 1y5i h PRO 93 Ca -0.24 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1y5i h PRO 93 Cb 1.21 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1y5i h PRO 93 CO 0.27 0.57 -0.11 0.00 -0.23 0.00 0.00 178.00 178.51 1y5i h ARG 94 N 0.57 -0.29 -0.99 0.86 -0.00 -1.96 -3.03 114.38 109.55 1y5i h ARG 94 Ca 0.13 0.02 0.05 0.00 -0.50 0.00 0.00 59.98 59.68 1y5i h ARG 94 Cb 0.28 0.06 -0.06 0.00 0.00 0.00 0.00 29.97 30.25 1y5i h ARG 94 CO 0.00 -0.03 0.64 0.78 0.00 0.00 0.00 179.97 181.37 1y5i h GLY 95 N -0.52 1.48 2.00 0.04 0.00 -1.94 -0.87 103.07 103.26 1y5i h GLY 95 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1y5i h GLY 95 CO 0.05 0.37 0.00 0.00 0.00 0.00 0.00 176.54 176.96 1y5i h ALA 96 N 1.45 1.00 -0.10 3.60 0.00 -1.30 -2.44 119.26 121.46 1y5i h ALA 96 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1y5i h ALA 96 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1y5i h ALA 96 CO -0.15 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.97 1y5i n SER 97 N -2.94 2.99 -0.31 0.00 3.41 -0.34 -4.61 113.62 111.81 1y5i n SER 97 Ca -0.02 -1.95 0.03 0.00 -0.26 0.00 0.00 58.87 56.67 1y5i n SER 97 Cb 0.08 -0.05 0.22 0.00 -0.26 0.00 0.00 64.21 64.20 1y5i n SER 97 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1y5i h TYR 98 N 4.38 1.08 -0.57 7.33 3.20 -1.38 -1.87 116.97 129.15 1y5i h TYR 98 Ca 0.00 0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.06 1y5i h TYR 98 Cb 0.94 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1y5i h TYR 98 CO 0.05 0.58 0.56 0.66 -1.64 0.00 0.00 178.16 178.37 1y5i h SER 99 N 1.08 0.00 -0.93 -2.11 4.64 -1.82 -1.17 113.55 113.24 1y5i h SER 99 Ca 0.39 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.87 1y5i h SER 99 Cb 0.15 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.16 1y5i h SER 99 CO -0.14 0.00 0.60 -0.25 -0.87 0.00 0.00 176.83 176.17 1y5i h TRP 100 N 0.00 0.88 0.00 4.77 7.01 -1.69 -2.88 115.95 124.04 1y5i h TRP 100 Ca 0.27 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.24 1y5i h TRP 100 Cb 1.38 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 28.16 1y5i h TRP 100 CO 0.00 0.29 -0.25 1.88 -2.79 0.00 0.00 178.44 177.57 1y5i h TYR 101 N 0.72 0.00 -0.68 2.65 -1.99 -1.41 -3.23 116.97 113.03 1y5i h TYR 101 Ca 0.49 0.00 0.13 0.00 2.00 0.00 0.00 58.73 61.35 1y5i h TYR 101 Cb 0.78 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.42 1y5i h TYR 101 CO -0.00 0.25 0.19 -0.07 -0.00 0.00 0.00 178.16 178.53 1y5i h LEU 102 N 0.00 0.08 -2.73 3.88 4.07 -1.69 -3.13 115.31 115.79 1y5i h LEU 102 Ca -0.00 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1y5i h LEU 102 Cb 0.45 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1y5i h LEU 102 CO 0.03 0.03 -0.04 -1.22 -1.08 0.00 0.00 178.44 176.15 1y5i n TYR 103 N -5.10 0.00 -1.05 1.13 4.02 -1.26 -4.95 117.16 109.95 1y5i n TYR 103 Ca 0.12 -0.61 -0.28 0.00 -0.01 0.00 0.00 57.90 57.11 1y5i n TYR 103 Cb 0.38 -0.09 0.19 0.00 -0.02 0.00 0.00 39.34 39.81 1y5i n TYR 103 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1y5i s SER 104 N -1.67 2.25 0.00 7.72 1.04 -1.18 -4.92 113.70 116.93 1y5i s SER 104 Ca 0.13 1.23 0.17 0.00 0.48 0.00 0.00 55.95 57.95 1y5i s SER 104 Cb 0.11 -1.91 0.75 0.00 0.10 0.00 0.00 66.02 65.07 1y5i s SER 104 CO 0.01 -3.37 1.51 0.00 0.98 0.00 0.00 173.24 172.38 1y5i n ALA 105 N -4.34 1.81 -0.26 5.32 0.00 -1.26 -2.50 120.51 119.28 1y5i n ALA 105 Ca 0.05 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1y5i n ALA 105 Cb 0.57 -1.27 0.23 0.00 0.00 0.00 0.00 19.45 18.98 1y5i n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1y5i n ASN 106 N -1.42 3.37 -4.74 0.00 5.15 -1.26 -5.00 115.26 111.35 1y5i n ASN 106 Ca 0.05 -2.00 -0.41 0.00 -0.60 0.00 0.00 54.58 51.62 1y5i n ASN 106 Cb 0.17 -0.34 -0.03 0.00 -0.53 0.00 0.00 39.78 39.05 1y5i n ASN 106 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1y5i s ARG 107 N -1.01 4.42 -0.27 1.20 6.06 -1.04 -2.01 118.95 126.31 1y5i s ARG 107 Ca 0.34 2.03 -0.22 0.00 -2.50 0.00 0.00 55.73 55.38 1y5i s ARG 107 Cb 0.18 -3.18 -0.01 0.00 0.06 0.00 0.00 34.95 32.00 1y5i s ARG 107 CO 0.23 -0.17 0.70 -0.51 -2.50 0.00 0.00 175.30 173.05 1y5i s LEU 108 N -0.53 4.08 -0.19 -0.88 1.43 -0.18 -4.86 118.68 117.56 1y5i s LEU 108 Ca 0.54 0.74 0.13 0.00 -1.03 0.00 0.00 54.13 54.50 1y5i s LEU 108 Cb -0.36 -2.97 -0.20 0.00 0.03 0.00 0.00 46.19 42.69 1y5i s LEU 108 CO 0.41 -0.46 0.01 0.29 0.23 0.00 0.00 176.35 176.82 1y5i n LYS 109 N 5.89 1.00 -4.20 1.70 5.02 -1.26 -4.69 118.16 121.62 1y5i n LYS 109 Ca 0.02 0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 1y5i n LYS 109 Cb 0.48 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 1y5i n LYS 109 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1y5i s TYR 110 N -2.43 1.13 0.36 2.13 2.02 -1.26 -1.11 117.35 118.19 1y5i s TYR 110 Ca -0.13 -0.71 -0.28 0.00 -0.37 0.00 0.00 57.07 55.58 1y5i s TYR 110 Cb 0.06 -0.60 -0.10 0.00 -0.40 0.00 0.00 41.96 40.91 1y5i s TYR 110 CO 0.68 0.02 1.37 -2.14 -1.57 0.00 0.00 175.55 173.91 1y5i s PRO 111 N -3.21 4.20 0.08 -1.71 0.02 -1.26 -4.43 135.00 128.69 1y5i s PRO 111 Ca 0.10 2.33 0.07 0.00 0.02 0.00 0.00 61.00 63.52 1y5i s PRO 111 Cb -0.00 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.50 1y5i s PRO 111 CO -0.00 -0.36 -0.18 -1.64 -0.33 0.00 0.00 177.00 174.49 1y5i s MET 112 N -1.97 1.02 0.01 5.54 -1.94 -0.08 -0.73 119.30 121.16 1y5i s MET 112 Ca 0.52 -1.03 0.01 0.00 -1.71 0.00 0.00 55.69 53.48 1y5i s MET 112 Cb -0.42 -1.16 -0.01 0.00 2.01 0.00 0.00 34.83 35.25 1y5i s MET 112 CO 0.56 0.27 -0.05 1.41 -0.01 0.00 0.00 175.02 177.20 1y5i s MET 113 N -1.70 0.37 0.17 2.03 1.75 -0.59 -1.30 119.30 120.04 1y5i s MET 113 Ca 0.03 -0.40 -0.32 0.00 -1.25 0.00 0.00 55.69 53.76 1y5i s MET 113 Cb -0.10 -0.24 -0.12 0.00 2.84 0.00 0.00 34.83 37.22 1y5i s MET 113 CO 0.03 0.05 1.76 -2.13 -0.65 0.00 0.00 175.02 174.08 1y5i n ARG 114 N 2.31 2.74 -0.22 4.11 3.00 -0.23 -0.94 116.66 127.43 1y5i n ARG 114 Ca -0.17 0.99 0.02 0.00 -0.00 0.00 0.00 57.85 58.69 1y5i n ARG 114 Cb 0.57 -2.85 0.12 0.00 0.00 0.00 0.00 32.46 30.30 1y5i n ARG 114 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1y5i h LYS 115 N 7.36 0.10 -0.94 -0.14 1.63 -0.77 -1.02 116.57 122.80 1y5i h LYS 115 Ca -0.44 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1y5i h LYS 115 Cb 1.21 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.77 1y5i h LYS 115 CO 0.95 0.07 0.57 -0.09 -3.45 0.00 0.00 179.45 177.50 1y5i h ARG 116 N 0.11 1.28 -0.48 1.90 9.65 -1.90 0.95 114.38 125.89 1y5i h ARG 116 Ca 0.35 -0.11 -0.12 0.00 -1.10 0.00 0.00 59.98 59.00 1y5i h ARG 116 Cb 0.58 -0.27 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1y5i h ARG 116 CO -0.58 0.89 -0.18 1.25 2.80 0.00 0.00 179.97 184.14 1y5i h LEU 117 N 1.30 0.97 -0.18 3.80 5.85 -1.66 -2.18 115.31 123.21 1y5i h LEU 117 Ca 0.34 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1y5i h LEU 117 Cb -0.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1y5i h LEU 117 CO -0.06 1.12 0.03 -0.03 -0.34 0.00 0.00 178.44 179.16 1y5i h MET 118 N 0.83 0.30 -0.44 1.25 4.05 -0.58 0.24 114.93 120.58 1y5i h MET 118 Ca 0.12 -0.08 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 1y5i h MET 118 Cb 0.74 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.46 1y5i h MET 118 CO 0.06 0.46 0.17 -0.22 0.23 0.00 0.00 176.91 177.61 1y5i h LYS 119 N 0.10 0.34 -0.13 0.39 3.64 -0.80 -0.90 116.57 119.21 1y5i h LYS 119 Ca 0.06 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1y5i h LYS 119 Cb 0.30 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1y5i h LYS 119 CO 0.00 0.23 -0.49 0.52 -2.27 0.00 0.00 179.45 177.44 1y5i h MET 120 N 0.35 0.34 -0.14 1.90 2.86 -1.18 -2.03 114.93 117.03 1y5i h MET 120 Ca 0.20 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1y5i h MET 120 Cb 0.18 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1y5i h MET 120 CO -0.19 0.76 0.04 2.35 1.06 0.00 0.00 176.91 180.92 1y5i h TRP 121 N 0.27 0.24 -0.09 -0.22 -0.00 -0.13 0.14 115.95 116.16 1y5i h TRP 121 Ca 0.01 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.89 58.78 1y5i h TRP 121 Cb 0.96 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 30.04 1y5i h TRP 121 CO 0.02 0.37 -0.37 0.00 -0.00 0.00 0.00 178.44 178.46 1y5i h ARG 122 N 0.04 0.18 -0.19 2.65 3.08 -1.13 -0.22 114.38 118.79 1y5i h ARG 122 Ca 0.05 -0.08 -0.21 0.00 0.07 0.00 0.00 59.98 59.81 1y5i h ARG 122 Cb 0.25 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.30 1y5i h ARG 122 CO 0.00 0.54 -0.71 0.93 -1.07 0.00 0.00 179.97 179.66 1y5i h GLU 123 N 0.16 0.80 -0.39 0.04 5.08 -1.26 -2.98 114.58 116.03 1y5i h GLU 123 Ca 0.02 -0.61 -0.04 0.00 -1.00 0.00 0.00 59.36 57.72 1y5i h GLU 123 Cb 0.74 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1y5i h GLU 123 CO 0.06 1.22 0.07 0.00 -1.00 0.00 0.00 179.01 179.36 1y5i h ALA 124 N 0.62 0.51 0.00 3.43 0.00 -0.59 -2.51 119.26 120.72 1y5i h ALA 124 Ca -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1y5i h ALA 124 Cb 1.33 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1y5i h ALA 124 CO 0.15 0.22 -0.04 0.87 0.00 0.00 0.00 179.25 180.45 1y5i h LYS 125 N 0.49 0.00 0.00 0.00 1.57 -1.07 0.11 116.57 117.66 1y5i h LYS 125 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1y5i h LYS 125 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1y5i h LYS 125 CO 0.01 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1y5i n ALA 126 N -2.28 2.16 0.12 3.86 0.00 -0.95 -3.31 120.51 120.11 1y5i n ALA 126 Ca -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.35 1y5i n ALA 126 Cb 0.13 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 1y5i n ALA 126 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y5i n LEU 127 N -1.58 0.13 -3.60 0.00 4.77 0.08 -4.93 117.00 111.86 1y5i n LEU 127 Ca 0.06 -0.50 -0.28 0.00 -0.03 0.00 0.00 56.01 55.26 1y5i n LEU 127 Cb 0.31 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.24 1y5i n LEU 127 CO 0.24 0.03 -0.33 -1.00 -1.33 0.00 0.00 177.39 175.00 1y5i s HIS 128 N -1.24 0.49 0.41 -1.77 3.76 0.15 -5.01 115.29 112.08 1y5i s HIS 128 Ca 0.01 -0.77 0.09 0.00 -0.15 0.00 0.00 55.06 54.24 1y5i s HIS 128 Cb 0.02 -0.92 0.85 0.00 1.11 0.00 0.00 32.58 33.64 1y5i s HIS 128 CO 0.11 -0.70 1.97 0.66 -0.85 0.00 0.00 174.74 175.93 1y5i h SER 129 N 8.36 0.27 -3.33 1.40 4.64 -1.87 -3.40 113.55 119.63 1y5i h SER 129 Ca -0.17 -0.04 -0.58 0.00 -0.47 0.00 0.00 61.79 60.53 1y5i h SER 129 Cb 1.07 -0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 63.01 1y5i h SER 129 CO 0.38 0.34 0.34 -0.62 -0.87 0.00 0.00 176.83 176.40 1y5i s ASP 130 N -6.85 6.89 0.61 4.97 3.68 -1.26 -4.94 116.67 119.76 1y5i s ASP 130 Ca -0.06 1.09 0.37 0.00 2.13 0.00 0.00 52.55 56.08 1y5i s ASP 130 Cb 0.16 -2.43 1.98 0.00 -1.45 0.00 0.00 42.92 41.17 1y5i s ASP 130 CO 0.73 -0.38 2.24 1.55 0.13 0.00 0.00 175.17 179.43 1y5i h PRO 131 N 7.39 0.00 -0.40 4.34 0.13 -1.96 -1.01 132.00 140.49 1y5i h PRO 131 Ca -0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.73 1y5i h PRO 131 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1y5i h PRO 131 CO 0.83 0.02 -0.16 0.28 -0.23 0.00 0.00 178.00 178.74 1y5i h VAL 132 N 0.00 1.28 0.00 1.56 2.07 -1.91 -0.11 116.25 119.13 1y5i h VAL 132 Ca -0.00 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.12 1y5i h VAL 132 Cb 0.15 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1y5i h VAL 132 CO 0.00 0.43 -0.54 -0.33 0.02 0.00 0.00 177.57 177.15 1y5i h GLU 133 N 0.63 0.00 -0.24 1.57 5.08 -1.75 -0.47 114.58 119.40 1y5i h GLU 133 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1y5i h GLU 133 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1y5i h GLU 133 CO 0.05 0.54 -0.11 0.00 -1.00 0.00 0.00 179.01 178.49 1y5i h ALA 134 N 1.46 0.33 -0.26 3.43 0.00 -0.91 -2.00 119.26 121.31 1y5i h ALA 134 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1y5i h ALA 134 Cb 1.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1y5i h ALA 134 CO 0.07 0.19 0.17 2.35 0.00 0.00 0.00 179.25 182.02 1y5i h TRP 135 N 0.22 0.34 -0.68 0.00 2.91 -0.72 -2.47 115.95 115.55 1y5i h TRP 135 Ca 0.05 0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.20 1y5i h TRP 135 Cb 0.61 -0.11 -0.09 0.00 -0.51 0.00 0.00 29.16 29.07 1y5i h TRP 135 CO 0.06 0.24 0.24 0.00 -1.03 0.00 0.00 178.44 177.95 1y5i h ALA 136 N 1.07 0.89 0.00 2.65 0.00 -1.05 -0.37 119.26 122.46 1y5i h ALA 136 Ca 0.10 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1y5i h ALA 136 Cb -0.01 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1y5i h ALA 136 CO -0.02 -0.22 -0.04 0.66 0.00 0.00 0.00 179.25 179.63 1y5i h SER 137 N 0.40 0.00 0.00 0.00 4.64 -0.88 -1.63 113.55 116.07 1y5i h SER 137 Ca 0.36 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.49 1y5i h SER 137 Cb 0.51 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1y5i h SER 137 CO -0.37 0.04 -1.05 0.40 -0.87 0.00 0.00 176.83 174.98 1y5i h ILE 138 N 0.00 1.01 0.00 0.95 2.04 -1.05 -3.37 117.51 117.09 1y5i h ILE 138 Ca -0.00 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 63.69 1y5i h ILE 138 Cb 0.12 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1y5i h ILE 138 CO 0.01 0.34 -0.05 -0.29 0.00 0.00 0.00 178.15 178.16 1y5i h ILE 139 N -1.00 0.13 -0.03 -0.67 6.09 -1.00 -2.47 117.51 118.57 1y5i h ILE 139 Ca -0.29 -0.63 0.00 0.00 -1.37 0.00 0.00 64.86 62.58 1y5i h ILE 139 Cb 1.23 1.55 0.00 0.00 0.47 0.00 0.00 36.82 40.07 1y5i h ILE 139 CO -0.17 0.05 0.00 -0.62 -3.07 0.00 0.00 178.15 174.33 1y5i n GLU 140 N -3.17 1.81 -3.62 2.19 1.02 -0.62 -4.70 120.64 113.55 1y5i n GLU 140 Ca 0.00 -1.18 -0.40 0.00 -0.02 0.00 0.00 57.16 55.56 1y5i n GLU 140 Cb 0.33 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 1y5i n GLU 140 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1y5i s ASP 141 N -1.98 5.67 0.28 1.62 -1.08 -0.93 -4.99 116.67 115.27 1y5i s ASP 141 Ca 0.36 -1.09 0.02 0.00 -0.52 0.00 0.00 52.55 51.32 1y5i s ASP 141 Cb 0.21 -2.00 0.61 0.00 -1.46 0.00 0.00 42.92 40.28 1y5i s ASP 141 CO 0.32 -0.40 1.79 0.00 0.52 0.00 0.00 175.17 177.41 1y5i h ALA 142 N 8.41 1.50 -0.16 3.66 0.00 -1.84 -0.00 119.26 130.83 1y5i h ALA 142 Ca -0.25 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1y5i h ALA 142 Cb 1.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1y5i h ALA 142 CO 0.67 0.04 -0.55 -0.44 0.00 0.00 0.00 179.25 178.98 1y5i h ASP 143 N 0.81 0.53 -0.00 0.00 3.32 -1.94 -1.61 116.42 117.53 1y5i h ASP 143 Ca 0.52 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1y5i h ASP 143 Cb 0.68 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1y5i h ASP 143 CO -0.33 0.97 -0.01 0.11 -1.72 0.00 0.00 179.24 178.26 1y5i h LYS 144 N 0.37 0.01 -0.39 3.56 1.57 -1.67 -1.92 116.57 118.11 1y5i h LYS 144 Ca 0.01 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1y5i h LYS 144 Cb 1.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 1y5i h LYS 144 CO 0.10 0.65 0.03 0.00 -0.57 0.00 0.00 179.45 179.67 1y5i h ALA 145 N 0.36 0.38 -0.28 3.86 0.00 -1.05 -1.58 119.26 120.95 1y5i h ALA 145 Ca -0.00 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1y5i h ALA 145 Cb 0.65 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1y5i h ALA 145 CO 0.00 -0.37 -0.04 -0.22 0.00 0.00 0.00 179.25 178.63 1y5i h LYS 146 N 0.15 0.44 -0.45 0.00 3.64 -1.34 -2.48 116.57 116.53 1y5i h LYS 146 Ca 0.19 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1y5i h LYS 146 Cb 0.25 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1y5i h LYS 146 CO -0.29 0.50 0.23 0.66 -2.27 0.00 0.00 179.45 178.28 1y5i h SER 147 N 0.42 0.55 0.59 4.20 4.64 -0.44 -1.67 113.55 121.85 1y5i h SER 147 Ca 0.09 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1y5i h SER 147 Cb 0.34 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1y5i h SER 147 CO 0.01 0.46 -1.44 2.22 -0.87 0.00 0.00 176.83 177.21 1y5i n PHE 148 N -4.41 0.62 0.07 4.77 -1.74 -1.13 -3.81 117.46 111.85 1y5i n PHE 148 Ca 0.03 0.19 -0.09 0.00 -0.56 0.00 0.00 57.45 57.02 1y5i n PHE 148 Cb 0.11 -0.84 0.02 0.00 1.52 0.00 0.00 39.48 40.30 1y5i n PHE 148 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 1y5i h LYS 149 N 0.00 0.28 0.00 3.97 1.57 -1.26 -2.99 116.57 118.14 1y5i h LYS 149 Ca -0.05 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1y5i h LYS 149 Cb 1.14 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1y5i h LYS 149 CO 0.01 0.94 0.00 1.04 -0.57 0.00 0.00 179.45 180.86 1y5i n GLN 150 N -3.76 0.22 0.00 3.15 6.02 -0.64 -2.60 117.38 119.77 1y5i n GLN 150 Ca -0.04 0.28 0.14 0.00 -0.01 0.00 0.00 57.00 57.37 1y5i n GLN 150 Cb 0.74 -1.81 0.55 0.00 1.02 0.00 0.00 30.24 30.74 1y5i n GLN 150 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y5i n ALA 151 N -1.76 2.83 -1.84 -1.58 0.00 -1.13 -4.80 120.51 112.22 1y5i n ALA 151 Ca 0.04 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1y5i n ALA 151 Cb 0.35 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1y5i n ALA 151 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1y5i s ARG 152 N -2.62 4.17 -0.06 0.00 0.52 -1.07 -1.23 118.95 118.66 1y5i s ARG 152 Ca 0.24 2.45 0.00 0.00 -0.52 0.00 0.00 55.73 57.90 1y5i s ARG 152 Cb 0.19 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 32.17 1y5i s ARG 152 CO 0.52 -0.76 0.00 0.41 0.02 0.00 0.00 175.30 175.49 1y5i n GLY 153 N 4.05 0.47 1.36 -3.53 0.00 -1.03 -4.92 105.19 101.59 1y5i n GLY 153 Ca 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 1y5i n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y5i n ARG 154 N -2.66 2.17 -0.02 1.61 5.12 -0.36 -4.98 116.66 117.54 1y5i n ARG 154 Ca -0.01 -3.50 0.00 0.00 -1.93 0.00 0.00 57.85 52.41 1y5i n ARG 154 Cb 0.06 -1.70 -0.00 0.00 -1.16 0.00 0.00 32.46 29.66 1y5i n ARG 154 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y5i n GLY 155 N -0.78 -1.98 1.54 -0.13 0.00 -1.26 -5.01 105.19 97.58 1y5i n GLY 155 Ca 0.26 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1y5i n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y5i n GLY 156 N -0.12 0.55 3.77 -0.02 0.00 -1.26 -4.82 105.19 103.28 1y5i n GLY 156 Ca 0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1y5i n GLY 156 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y5i s PHE 157 N -2.00 3.38 0.07 1.61 0.08 -1.26 -0.03 117.98 119.83 1y5i s PHE 157 Ca 0.00 1.64 0.05 0.00 0.12 0.00 0.00 56.93 58.74 1y5i s PHE 157 Cb 0.00 -3.30 -0.03 0.00 -0.57 0.00 0.00 43.02 39.12 1y5i s PHE 157 CO 0.00 -0.81 -0.13 0.14 -0.10 0.00 0.00 175.22 174.32 1y5i s VAL 158 N -1.30 1.03 0.20 -0.44 -7.23 -0.12 -4.84 120.40 107.69 1y5i s VAL 158 Ca 0.50 -1.30 -0.30 0.00 -1.81 0.00 0.00 61.98 59.06 1y5i s VAL 158 Cb -0.30 -1.03 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 1y5i s VAL 158 CO 0.39 -0.27 1.34 -0.60 -0.31 0.00 0.00 175.10 175.65 1y5i s ARG 159 N -1.80 4.36 0.00 4.82 3.52 -1.26 -1.54 118.95 127.05 1y5i s ARG 159 Ca -0.02 2.10 0.00 0.00 -0.13 0.00 0.00 55.73 57.67 1y5i s ARG 159 Cb -0.09 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1y5i s ARG 159 CO 0.02 -0.30 0.00 0.45 -0.81 0.00 0.00 175.30 174.66 1y5i n SER 160 N 2.71 0.01 -3.89 -2.12 2.88 0.09 -4.88 113.62 108.42 1y5i n SER 160 Ca 0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.52 1y5i n SER 160 Cb 0.42 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.80 1y5i n SER 160 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1y5i s SER 161 N 0.91 0.16 0.21 -3.46 1.04 -1.26 -4.59 113.70 106.71 1y5i s SER 161 Ca 0.00 -0.66 -0.10 0.00 0.48 0.00 0.00 55.95 55.67 1y5i s SER 161 Cb 0.00 0.31 0.17 0.00 0.10 0.00 0.00 66.02 66.60 1y5i s SER 161 CO 0.00 -0.68 1.87 -0.50 0.98 0.00 0.00 173.24 174.91 1y5i h TRP 162 N 2.93 0.93 -0.88 5.02 4.06 -1.98 -1.42 115.95 124.61 1y5i h TRP 162 Ca -0.34 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.63 1y5i h TRP 162 Cb 1.19 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 29.00 1y5i h TRP 162 CO 0.45 0.57 0.54 0.37 -3.56 0.00 0.00 178.44 176.81 1y5i h GLN 163 N 0.99 1.20 -0.06 0.49 4.15 -1.99 -0.07 115.11 119.82 1y5i h GLN 163 Ca 0.28 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 1y5i h GLN 163 Cb -0.08 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.36 1y5i h GLN 163 CO -0.08 0.84 -0.12 1.49 -1.93 0.00 0.00 178.83 179.03 1y5i h GLU 164 N 1.22 0.18 -0.20 1.69 4.81 -1.81 -2.64 114.58 117.82 1y5i h GLU 164 Ca 0.32 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1y5i h GLU 164 Cb -0.06 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1y5i h GLU 164 CO -0.06 0.70 -0.34 -0.39 -0.73 0.00 0.00 179.01 178.19 1y5i h VAL 165 N -0.32 1.29 -0.37 0.32 -1.51 -1.23 -2.12 116.25 112.30 1y5i h VAL 165 Ca 0.00 -1.42 -0.09 0.00 -1.23 0.00 0.00 66.70 63.96 1y5i h VAL 165 Cb 0.70 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 1y5i h VAL 165 CO 0.03 0.44 -0.13 0.78 -1.23 0.00 0.00 177.57 177.46 1y5i h ASN 166 N 0.36 0.65 -0.19 4.19 2.35 -1.04 -0.48 115.58 121.43 1y5i h ASN 166 Ca 0.04 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 1y5i h ASN 166 Cb 0.77 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1y5i h ASN 166 CO 0.06 0.80 -0.11 -0.08 -1.65 0.00 0.00 177.43 176.45 1y5i h GLU 167 N 0.60 0.41 -0.45 0.81 4.81 -1.24 -1.45 114.58 118.06 1y5i h GLU 167 Ca 0.10 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1y5i h GLU 167 Cb 0.56 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1y5i h GLU 167 CO 0.04 0.72 0.28 1.25 -0.73 0.00 0.00 179.01 180.56 1y5i h LEU 168 N 0.09 0.54 -0.25 1.64 6.46 -1.20 0.16 115.31 122.74 1y5i h LEU 168 Ca 0.04 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1y5i h LEU 168 Cb 0.61 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1y5i h LEU 168 CO 0.03 0.43 0.13 0.40 -0.62 0.00 0.00 178.44 178.81 1y5i h ILE 169 N 0.60 1.13 -0.59 4.05 2.04 -1.08 0.71 117.51 124.37 1y5i h ILE 169 Ca 0.16 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1y5i h ILE 169 Cb -0.02 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1y5i h ILE 169 CO -0.03 0.13 0.27 0.00 0.00 0.00 0.00 178.15 178.52 1y5i h ALA 170 N 1.00 0.76 -0.49 1.87 0.00 -0.98 -0.69 119.26 120.73 1y5i h ALA 170 Ca 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1y5i h ALA 170 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1y5i h ALA 170 CO -0.01 0.34 0.20 0.00 0.00 0.00 0.00 179.25 179.78 1y5i h ALA 171 N 1.11 0.64 -0.63 0.00 0.00 -0.32 -1.15 119.26 118.89 1y5i h ALA 171 Ca 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1y5i h ALA 171 Cb 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1y5i h ALA 171 CO -0.02 0.24 0.19 1.03 0.00 0.00 0.00 179.25 180.69 1y5i h SER 172 N 0.65 0.93 -0.07 0.00 0.87 -0.68 -1.28 113.55 113.97 1y5i h SER 172 Ca 0.16 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1y5i h SER 172 Cb 0.19 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1y5i h SER 172 CO -0.01 0.90 0.04 0.78 -0.53 0.00 0.00 176.83 178.00 1y5i h ASN 173 N 0.92 0.09 -0.08 6.23 -0.26 -0.78 -1.33 115.58 120.37 1y5i h ASN 173 Ca 0.20 -0.09 0.01 0.00 -0.56 0.00 0.00 56.30 55.86 1y5i h ASN 173 Cb 0.31 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1y5i h ASN 173 CO -0.00 0.15 0.03 0.58 -1.06 0.00 0.00 177.43 177.13 1y5i h VAL 174 N 0.02 0.98 -0.52 2.81 2.07 -1.14 -0.95 116.25 119.52 1y5i h VAL 174 Ca 0.02 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1y5i h VAL 174 Cb 0.09 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1y5i h VAL 174 CO -0.00 0.01 0.13 0.22 0.02 0.00 0.00 177.57 177.95 1y5i h TYR 175 N 0.07 0.21 -0.27 1.57 5.03 -1.12 0.13 116.97 122.59 1y5i h TYR 175 Ca 0.03 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 1y5i h TYR 175 Cb 0.01 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 1y5i h TYR 175 CO -0.09 0.02 0.01 1.15 -1.32 0.00 0.00 178.16 177.93 1y5i h THR 176 N 0.28 1.25 -0.33 1.81 2.02 -1.05 -0.75 112.91 116.14 1y5i h THR 176 Ca 0.26 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1y5i h THR 176 Cb 0.35 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1y5i h THR 176 CO -0.32 0.28 0.07 0.40 0.37 0.00 0.00 175.52 176.31 1y5i h ILE 177 N 0.26 1.23 -0.31 3.11 2.04 -0.90 0.75 117.51 123.68 1y5i h ILE 177 Ca 0.08 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1y5i h ILE 177 Cb 0.40 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1y5i h ILE 177 CO 0.01 0.26 0.04 0.50 0.00 0.00 0.00 178.15 178.96 1y5i h LYS 178 N 0.37 0.52 0.00 2.37 3.64 -0.95 -2.51 116.57 120.02 1y5i h LYS 178 Ca 0.10 -0.15 -0.20 0.00 -1.27 0.00 0.00 60.65 59.14 1y5i h LYS 178 Cb 0.33 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1y5i h LYS 178 CO 0.00 0.63 -1.51 0.09 -2.27 0.00 0.00 179.45 176.39 1y5i n ASN 179 N -4.61 0.84 -0.01 4.20 4.13 -0.29 -4.67 115.26 114.85 1y5i n ASN 179 Ca -0.02 0.38 -0.01 0.00 1.68 0.00 0.00 54.58 56.61 1y5i n ASN 179 Cb 0.22 0.14 -0.01 0.00 -1.54 0.00 0.00 39.78 38.59 1y5i n ASN 179 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1y5i n TYR 180 N -2.92 0.00 0.00 3.10 4.02 0.13 -4.92 117.16 116.58 1y5i n TYR 180 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1y5i n TYR 180 Cb 0.89 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 40.15 1y5i n TYR 180 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y5i n GLY 181 N 3.41 4.60 0.37 2.72 0.00 -0.46 -3.89 105.19 111.92 1y5i n GLY 181 Ca -0.03 -1.16 0.08 0.00 0.00 0.00 0.00 46.02 44.91 1y5i n GLY 181 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y5i h PRO 182 N 0.00 0.90 0.00 1.61 0.13 -1.83 -1.39 132.00 131.42 1y5i h PRO 182 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1y5i h PRO 182 Cb 0.00 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 30.93 1y5i h PRO 182 CO 0.00 0.59 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 1y5i n ASP 183 N -4.59 0.00 -1.23 1.44 5.68 -1.22 -1.28 116.55 115.36 1y5i n ASP 183 Ca 0.18 -1.10 0.12 0.00 -0.50 0.00 0.00 54.79 53.48 1y5i n ASP 183 Cb 0.36 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.60 1y5i n ASP 183 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1y5i n ARG 184 N -0.54 2.58 -4.89 0.11 3.00 -0.52 -4.21 116.66 112.18 1y5i n ARG 184 Ca 0.01 -2.41 -0.33 0.00 -0.01 0.00 0.00 57.85 55.12 1y5i n ARG 184 Cb 0.01 -1.54 -0.15 0.00 0.00 0.00 0.00 32.46 30.78 1y5i n ARG 184 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1y5i s VAL 185 N -1.34 2.86 0.14 1.55 1.01 -0.41 -0.30 120.40 123.91 1y5i s VAL 185 Ca 0.42 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1y5i s VAL 185 Cb 0.24 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1y5i s VAL 185 CO 0.32 0.54 0.15 0.00 0.00 0.00 0.00 175.10 176.12 1y5i s ALA 186 N 0.11 0.41 -0.01 5.51 0.00 0.05 -1.13 121.76 126.71 1y5i s ALA 186 Ca -0.07 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 50.73 1y5i s ALA 186 Cb -0.15 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1y5i s ALA 186 CO 0.05 -0.55 0.02 0.20 0.00 0.00 0.00 175.76 175.48 1y5i s GLY 187 N -2.99 0.02 -0.22 0.00 0.00 -0.67 -1.26 107.32 102.20 1y5i s GLY 187 Ca 0.19 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 45.01 1y5i s GLY 187 CO -0.01 0.20 -0.11 -0.12 0.00 0.00 0.00 173.10 173.07 1y5i s PHE 188 N 0.27 2.96 -0.13 1.90 2.19 0.37 -2.16 117.98 123.38 1y5i s PHE 188 Ca -0.02 -1.50 -0.10 0.00 0.33 0.00 0.00 56.93 55.64 1y5i s PHE 188 Cb -0.03 -2.01 0.04 0.00 -1.31 0.00 0.00 43.02 39.70 1y5i s PHE 188 CO -0.01 -0.73 0.33 0.45 1.83 0.00 0.00 175.22 177.09 1y5i s SER 189 N 1.33 -0.36 0.55 6.13 0.15 -1.26 -2.60 113.70 117.64 1y5i s SER 189 Ca 0.02 0.67 0.05 0.00 0.70 0.00 0.00 55.95 57.39 1y5i s SER 189 Cb -0.15 0.64 0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1y5i s SER 189 CO -0.07 -0.14 0.36 -2.16 1.20 0.00 0.00 173.24 172.43 1y5i s PRO 190 N 0.56 2.24 -0.40 5.44 0.04 -1.26 -4.85 135.00 136.77 1y5i s PRO 190 Ca -0.03 -2.09 -0.15 0.00 0.04 0.00 0.00 61.00 58.77 1y5i s PRO 190 Cb -0.05 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1y5i s PRO 190 CO -0.03 -0.61 0.42 -0.89 0.04 0.00 0.00 177.00 175.92 1y5i n ILE 191 N -1.72 -2.34 0.28 0.56 2.08 -1.26 -4.83 119.36 112.13 1y5i n ILE 191 Ca -0.04 0.02 0.14 0.00 0.56 0.00 0.00 62.75 63.43 1y5i n ILE 191 Cb 0.65 -2.12 0.83 0.00 -0.75 0.00 0.00 39.64 38.25 1y5i n ILE 191 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1y5i h PRO 192 N 0.86 0.00 -0.38 0.38 0.13 -1.89 -2.95 132.00 128.15 1y5i h PRO 192 Ca -0.40 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.84 1y5i h PRO 192 Cb 0.93 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1y5i h PRO 192 CO 0.19 0.06 0.31 0.00 -0.23 0.00 0.00 178.00 178.33 1y5i h ALA 193 N 1.94 2.23 0.00 -0.56 0.00 -1.88 -0.97 119.26 120.03 1y5i h ALA 193 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1y5i h ALA 193 Cb 0.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1y5i h ALA 193 CO 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 178.75 1y5i h MET 194 N 0.00 0.00 -0.39 0.00 -0.00 -1.75 -2.22 114.93 110.57 1y5i h MET 194 Ca 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.87 1y5i h MET 194 Cb 0.80 0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 32.25 1y5i h MET 194 CO -0.00 0.00 -0.21 -1.54 -0.00 0.00 0.00 176.91 175.16 1y5i s SER 195 N -5.37 -0.57 0.14 -0.10 1.04 -0.68 -3.98 113.70 104.17 1y5i s SER 195 Ca 0.06 -0.63 -0.27 0.00 0.48 0.00 0.00 55.95 55.59 1y5i s SER 195 Cb 0.08 0.75 -0.02 0.00 0.10 0.00 0.00 66.02 66.93 1y5i s SER 195 CO 0.58 -0.03 1.60 0.24 0.98 0.00 0.00 173.24 176.61 1y5i h MET 196 N 4.59 -0.40 -0.27 4.02 0.00 -0.92 -1.69 114.93 120.26 1y5i h MET 196 Ca 0.01 0.03 -0.11 0.00 0.00 0.00 0.00 59.70 59.63 1y5i h MET 196 Cb 1.16 0.09 -0.01 0.00 0.00 0.00 0.00 31.60 32.84 1y5i h MET 196 CO -0.07 -0.26 -0.28 0.28 0.00 0.00 0.00 176.91 176.57 1y5i h VAL 197 N -0.41 1.27 -0.77 -2.22 2.07 -1.87 -0.99 116.25 113.35 1y5i h VAL 197 Ca 0.10 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1y5i h VAL 197 Cb 0.58 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1y5i h VAL 197 CO -0.40 0.43 0.35 0.28 0.02 0.00 0.00 177.57 178.25 1y5i h SER 198 N 0.47 1.01 0.02 0.57 0.02 -1.81 0.17 113.55 113.99 1y5i h SER 198 Ca 0.06 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1y5i h SER 198 Cb 0.72 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1y5i h SER 198 CO 0.06 0.86 -0.01 0.22 -1.14 0.00 0.00 176.83 176.82 1y5i h TYR 199 N 1.10 -0.03 -0.90 3.45 5.03 -1.22 -3.23 116.97 121.17 1y5i h TYR 199 Ca 0.26 -0.00 0.19 0.00 2.58 0.00 0.00 58.73 61.76 1y5i h TYR 199 Cb 0.13 0.01 -0.07 0.00 1.55 0.00 0.00 36.73 38.35 1y5i h TYR 199 CO 0.01 0.44 0.59 0.00 -1.32 0.00 0.00 178.16 177.88 1y5i h ALA 200 N 0.45 2.06 0.04 1.82 0.00 -0.66 -2.98 119.26 119.98 1y5i h ALA 200 Ca -0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1y5i h ALA 200 Cb 0.48 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1y5i h ALA 200 CO 0.01 -0.34 -0.54 0.66 0.00 0.00 0.00 179.25 179.04 1y5i h SER 201 N 0.51 -1.64 0.05 0.00 4.64 -0.70 0.70 113.55 117.10 1y5i h SER 201 Ca 0.47 0.18 -0.16 0.00 -0.47 0.00 0.00 61.79 61.82 1y5i h SER 201 Cb 1.03 0.62 -0.01 0.00 -0.31 0.00 0.00 62.40 63.73 1y5i h SER 201 CO -0.20 -0.54 -0.55 1.23 -0.87 0.00 0.00 176.83 175.90 1y5i h GLY 202 N -0.70 0.58 1.53 -0.77 0.00 -1.71 -2.83 103.07 99.18 1y5i h GLY 202 Ca 0.01 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 1y5i h GLY 202 CO -0.34 0.61 -0.02 0.00 0.00 0.00 0.00 176.54 176.79 1y5i h ALA 203 N 0.99 1.29 -0.18 3.60 0.00 -1.35 -0.64 119.26 122.97 1y5i h ALA 203 Ca 0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1y5i h ALA 203 Cb 1.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1y5i h ALA 203 CO 0.10 0.48 -0.40 -0.09 0.00 0.00 0.00 179.25 179.34 1y5i h ARG 204 N 0.55 0.59 -0.14 0.00 2.43 0.60 0.75 114.38 119.16 1y5i h ARG 204 Ca 0.11 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1y5i h ARG 204 Cb 0.38 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1y5i h ARG 204 CO 0.01 1.01 0.05 -0.92 -1.51 0.00 0.00 179.97 178.62 1y5i h TYR 205 N 0.26 0.22 -0.42 2.20 5.03 -1.31 -1.60 116.97 121.35 1y5i h TYR 205 Ca 0.00 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1y5i h TYR 205 Cb 1.01 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 39.21 1y5i h TYR 205 CO 0.09 0.30 0.27 -0.07 -1.32 0.00 0.00 178.16 177.44 1y5i h LEU 206 N 0.07 0.48 -0.98 2.82 3.38 -1.09 -2.55 115.31 117.43 1y5i h LEU 206 Ca 0.05 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1y5i h LEU 206 Cb 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1y5i h LEU 206 CO -0.00 0.35 0.01 0.28 0.09 0.00 0.00 178.44 179.16 1y5i h SER 207 N 0.56 0.71 -0.42 -0.43 0.02 -0.75 0.25 113.55 113.49 1y5i h SER 207 Ca 0.15 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1y5i h SER 207 Cb -0.06 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1y5i h SER 207 CO -0.03 0.77 0.17 -0.07 -1.14 0.00 0.00 176.83 176.53 1y5i h LEU 208 N 0.70 0.58 -0.12 5.07 3.38 -1.12 -2.91 115.31 120.88 1y5i h LEU 208 Ca 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1y5i h LEU 208 Cb 0.42 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1y5i h LEU 208 CO 0.02 0.58 -0.05 2.30 0.09 0.00 0.00 178.44 181.38 1y5i n ILE 209 N -4.63 0.00 -0.24 1.22 -5.35 -0.98 -4.89 119.36 104.49 1y5i n ILE 209 Ca 0.00 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1y5i n ILE 209 Cb 0.14 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.73 1y5i n ILE 209 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y5i n GLY 210 N 1.23 0.74 3.74 3.28 0.00 -0.41 -4.75 105.19 109.02 1y5i n GLY 210 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1y5i n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y5i s GLY 211 N -1.58 1.65 -0.06 -0.02 0.00 0.74 -3.38 107.32 104.67 1y5i s GLY 211 Ca 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.67 1y5i s GLY 211 CO 0.00 0.55 0.54 -0.51 0.00 0.00 0.00 173.10 173.68 1y5i s THR 212 N -2.91 5.05 -0.36 0.90 -4.23 -0.28 -4.38 115.64 109.44 1y5i s THR 212 Ca 0.62 1.11 -0.15 0.00 -1.18 0.00 0.00 61.69 62.09 1y5i s THR 212 Cb -0.18 -3.88 -0.00 0.00 1.34 0.00 0.00 72.50 69.78 1y5i s THR 212 CO 0.56 0.37 0.37 0.00 -0.54 0.00 0.00 174.62 175.38 1y5i s LEU 214 N 2.01 4.59 0.99 0.00 1.43 -0.92 -1.74 118.68 125.03 1y5i s LEU 214 Ca 0.11 1.82 -0.15 0.00 -1.03 0.00 0.00 54.13 54.88 1y5i s LEU 214 Cb -0.17 -3.51 0.19 0.00 0.03 0.00 0.00 46.19 42.73 1y5i s LEU 214 CO 0.12 0.11 1.21 -0.94 0.23 0.00 0.00 176.35 177.07 1y5i s SER 215 N -0.81 2.87 0.00 2.29 1.04 0.05 -4.57 113.70 114.57 1y5i s SER 215 Ca 0.41 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.45 1y5i s SER 215 Cb -0.24 -0.90 0.00 0.00 0.10 0.00 0.00 66.02 64.98 1y5i s SER 215 CO 0.30 -2.91 0.00 2.22 0.98 0.00 0.00 173.24 173.82 1y5i n PHE 216 N -3.95 0.00 -0.25 5.02 1.16 -1.26 -4.36 117.46 113.81 1y5i n PHE 216 Ca 0.11 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.64 1y5i n PHE 216 Cb 0.60 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.52 1y5i n PHE 216 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 1y5i h TYR 217 N 0.00 0.92 -0.07 2.97 3.20 -1.96 0.52 116.97 122.54 1y5i h TYR 217 Ca 0.00 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 1y5i h TYR 217 Cb 0.00 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 37.97 1y5i h TYR 217 CO 0.00 0.62 -0.41 0.38 -1.64 0.00 0.00 178.16 177.11 1y5i h ASP 218 N 0.95 0.47 -0.92 -2.11 -0.00 -1.87 -0.68 116.42 112.27 1y5i h ASP 218 Ca 0.25 -0.66 0.11 0.00 -0.00 0.00 0.00 57.03 56.72 1y5i h ASP 218 Cb -0.03 -0.14 -0.08 0.00 -0.00 0.00 0.00 39.33 39.08 1y5i h ASP 218 CO -0.05 1.06 0.55 -0.25 -0.00 0.00 0.00 179.24 180.56 1y5i h TRP 219 N -0.08 1.00 -0.00 4.15 -0.00 -1.69 -0.28 115.95 119.04 1y5i h TRP 219 Ca -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1y5i h TRP 219 Cb 1.07 -0.31 0.00 0.00 -0.00 0.00 0.00 29.16 29.92 1y5i h TRP 219 CO 0.13 0.40 -0.02 0.66 -0.00 0.00 0.00 178.44 179.61 1y5i n TYR 220 N -4.68 0.00 -2.41 2.65 4.01 0.15 -3.31 117.16 113.57 1y5i n TYR 220 Ca 0.16 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.78 1y5i n TYR 220 Cb 0.32 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1y5i n TYR 220 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1y5i n ASP 222 N -0.45 0.40 -4.70 0.00 10.43 -0.38 -4.61 116.55 117.25 1y5i n ASP 222 Ca -0.11 0.17 -0.42 0.00 2.57 0.00 0.00 54.79 57.00 1y5i n ASP 222 Cb 0.59 0.92 -0.03 0.00 1.84 0.00 0.00 41.12 44.45 1y5i n ASP 222 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1y5i s LEU 223 N -5.30 4.35 -0.48 0.64 2.96 -0.54 -4.90 118.68 115.41 1y5i s LEU 223 Ca -0.06 2.32 -0.15 0.00 -0.22 0.00 0.00 54.13 56.02 1y5i s LEU 223 Cb 0.10 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.30 1y5i s LEU 223 CO 0.84 -0.75 0.40 -2.16 -1.32 0.00 0.00 176.35 173.36 1y5i s PRO 224 N 1.94 2.93 0.66 0.98 0.04 -1.26 -4.92 135.00 135.37 1y5i s PRO 224 Ca 0.67 -1.44 0.29 0.00 0.04 0.00 0.00 61.00 60.56 1y5i s PRO 224 Cb -0.36 -4.13 1.58 0.00 0.04 0.00 0.00 34.50 31.63 1y5i s PRO 224 CO 0.30 -1.09 1.90 -1.35 0.04 0.00 0.00 177.00 176.80 1y5i h PRO 225 N 8.74 0.00 0.00 0.56 0.11 -1.93 0.27 132.00 139.75 1y5i h PRO 225 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1y5i h PRO 225 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1y5i h PRO 225 CO 0.90 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 1y5i h ALA 226 N 1.32 1.00 0.02 -0.75 0.00 -1.91 -1.88 119.26 117.06 1y5i h ALA 226 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y5i h ALA 226 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1y5i h ALA 226 CO -0.00 0.00 -0.01 1.03 0.00 0.00 0.00 179.25 180.27 1y5i h SER 227 N 0.00 -0.02 -0.66 0.00 0.87 -0.72 -0.68 113.55 112.34 1y5i h SER 227 Ca 0.00 -0.71 -0.02 0.00 -1.23 0.00 0.00 61.79 59.84 1y5i h SER 227 Cb 0.26 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1y5i h SER 227 CO 0.00 0.72 0.36 -0.65 -0.53 0.00 0.00 176.83 176.72 1y5i h PRO 228 N -0.78 0.94 -0.31 2.24 0.11 -1.31 0.15 132.00 133.04 1y5i h PRO 228 Ca -0.00 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1y5i h PRO 228 Cb 0.72 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1y5i h PRO 228 CO 0.00 0.71 0.19 1.96 -0.21 0.00 0.00 178.00 180.64 1y5i h GLN 229 N 0.95 0.43 0.10 1.05 4.20 -1.31 0.32 115.11 120.84 1y5i h GLN 229 Ca 0.24 -0.04 -0.29 0.00 0.06 0.00 0.00 58.65 58.62 1y5i h GLN 229 Cb 0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1y5i h GLN 229 CO -0.04 0.33 -1.43 1.15 -0.67 0.00 0.00 178.83 178.18 1y5i h THR 230 N 0.40 1.26 0.00 -0.54 2.02 -0.94 -3.42 112.91 111.69 1y5i h THR 230 Ca 0.11 -2.91 0.00 0.00 0.77 0.00 0.00 66.41 64.38 1y5i h THR 230 Cb 0.02 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1y5i h THR 230 CO -0.02 0.83 0.00 0.79 0.37 0.00 0.00 175.52 177.49 1y5i n TRP 231 N -3.43 0.00 -1.94 3.16 8.01 0.52 -0.97 117.44 122.79 1y5i n TRP 231 Ca -0.13 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 55.93 1y5i n TRP 231 Cb 1.03 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 30.30 1y5i n TRP 231 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1y5i n GLY 232 N 0.54 0.39 3.06 6.99 0.00 0.10 -2.80 105.19 113.47 1y5i n GLY 232 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1y5i n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y5i s GLU 233 N -4.11 1.43 0.09 1.61 2.56 -1.23 -4.54 118.70 114.52 1y5i s GLU 233 Ca 0.00 -0.45 -0.33 0.00 0.00 0.00 0.00 54.97 54.18 1y5i s GLU 233 Cb 0.00 -1.26 -0.15 0.00 2.00 0.00 0.00 34.13 34.72 1y5i s GLU 233 CO 0.00 0.16 1.59 0.37 -0.56 0.00 0.00 175.26 176.81 1y5i h GLN 234 N 6.42 -0.83 -1.02 4.30 4.15 -1.88 -2.70 115.11 123.55 1y5i h GLN 234 Ca -0.33 0.06 0.19 0.00 0.77 0.00 0.00 58.65 59.34 1y5i h GLN 234 Cb 1.17 0.19 -0.30 0.00 0.21 0.00 0.00 27.48 28.75 1y5i h GLN 234 CO 0.48 -0.55 0.57 0.99 -1.93 0.00 0.00 178.83 178.39 1y5i s THR 235 N -5.93 -0.06 -0.12 2.39 2.01 -1.26 -4.59 115.64 108.09 1y5i s THR 235 Ca -0.17 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.78 1y5i s THR 235 Cb 0.05 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.62 1y5i s THR 235 CO 0.62 0.00 0.25 -0.62 -0.69 0.00 0.00 174.62 174.18 1y5i s ASP 236 N 1.42 0.03 0.09 3.53 3.68 -1.26 -4.98 116.67 119.18 1y5i s ASP 236 Ca -0.06 0.55 -0.01 0.00 2.13 0.00 0.00 52.55 55.16 1y5i s ASP 236 Cb -0.03 0.53 -0.04 0.00 -1.45 0.00 0.00 42.92 41.93 1y5i s ASP 236 CO -0.13 -0.20 0.02 0.68 0.13 0.00 0.00 175.17 175.67 1y5i s VAL 237 N 1.79 0.15 0.63 1.11 -7.23 -1.26 -4.72 120.40 110.87 1y5i s VAL 237 Ca -0.04 -1.85 -0.18 0.00 -1.81 0.00 0.00 61.98 58.09 1y5i s VAL 237 Cb -0.11 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 1y5i s VAL 237 CO -0.08 -0.70 1.22 -2.84 -0.31 0.00 0.00 175.10 172.39 1y5i s PRO 238 N -3.99 2.73 0.70 4.82 0.02 -1.26 -4.19 135.00 133.83 1y5i s PRO 238 Ca 0.16 1.86 -0.11 0.00 0.02 0.00 0.00 61.00 62.92 1y5i s PRO 238 Cb 0.08 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.71 1y5i s PRO 238 CO -0.04 -1.40 1.09 -1.83 -0.33 0.00 0.00 177.00 174.49 1y5i s GLU 239 N -3.46 2.91 0.45 5.54 -1.05 -0.71 -4.87 118.70 117.51 1y5i s GLU 239 Ca 0.78 0.49 0.13 0.00 -0.15 0.00 0.00 54.97 56.21 1y5i s GLU 239 Cb -0.31 -2.03 0.99 0.00 -0.44 0.00 0.00 34.13 32.34 1y5i s GLU 239 CO 0.37 -1.00 2.02 0.66 0.95 0.00 0.00 175.26 178.25 1y5i h SER 240 N -0.63 0.11 0.21 0.83 4.64 -1.42 -0.50 113.55 116.79 1y5i h SER 240 Ca -0.45 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1y5i h SER 240 Cb 1.25 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1y5i h SER 240 CO 0.64 0.21 -0.09 0.00 -0.87 0.00 0.00 176.83 176.72 1y5i h ALA 241 N 1.81 1.43 0.00 5.18 0.00 -1.93 -0.99 119.26 124.76 1y5i h ALA 241 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1y5i h ALA 241 Cb 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1y5i h ALA 241 CO 0.01 0.11 -0.05 0.22 0.00 0.00 0.00 179.25 179.54 1y5i h ASP 242 N 0.00 0.00 -0.32 0.00 3.58 -1.36 -1.62 116.42 116.71 1y5i h ASP 242 Ca -0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 1y5i h ASP 242 Cb 0.22 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1y5i h ASP 242 CO 0.01 0.05 0.22 -0.50 -2.88 0.00 0.00 179.24 176.14 1y5i h TRP 243 N 0.00 0.30 0.00 0.28 6.55 -1.24 -0.65 115.95 121.19 1y5i h TRP 243 Ca -0.00 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1y5i h TRP 243 Cb 0.57 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 1y5i h TRP 243 CO 0.00 0.18 0.00 -0.92 -1.05 0.00 0.00 178.44 176.65 1y5i h TYR 244 N 0.31 0.00 -0.01 0.49 5.03 -1.41 -1.23 116.97 120.15 1y5i h TYR 244 Ca 0.13 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1y5i h TYR 244 Cb 0.14 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.42 1y5i h TYR 244 CO -0.00 0.00 -0.08 0.09 -1.32 0.00 0.00 178.16 176.85 1y5i n ASN 245 N -2.86 1.34 -4.85 -2.11 5.03 -0.25 -4.91 115.26 106.65 1y5i n ASN 245 Ca -0.01 -1.30 -0.35 0.00 0.87 0.00 0.00 54.58 53.79 1y5i n ASN 245 Cb 0.18 0.04 -0.06 0.00 -1.02 0.00 0.00 39.78 38.93 1y5i n ASN 245 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1y5i s SER 246 N -2.16 6.78 0.00 6.41 0.15 -0.47 -4.32 113.70 120.08 1y5i s SER 246 Ca 0.34 0.99 0.14 0.00 0.70 0.00 0.00 55.95 58.12 1y5i s SER 246 Cb 0.20 -2.26 0.13 0.00 -1.71 0.00 0.00 66.02 62.39 1y5i s SER 246 CO 0.39 0.14 0.97 -1.54 1.20 0.00 0.00 173.24 174.40 1y5i n SER 247 N 0.91 2.24 -3.41 5.45 3.41 -0.52 -4.77 113.62 116.92 1y5i n SER 247 Ca -0.07 -1.61 -0.03 0.00 -0.26 0.00 0.00 58.87 56.89 1y5i n SER 247 Cb 0.52 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 1y5i n SER 247 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1y5i s TYR 248 N -1.15 -1.16 -0.05 7.33 5.04 -1.18 -3.11 117.35 123.07 1y5i s TYR 248 Ca 0.17 1.54 0.04 0.00 -2.44 0.00 0.00 57.07 56.38 1y5i s TYR 248 Cb 0.12 0.40 -0.00 0.00 0.35 0.00 0.00 41.96 42.83 1y5i s TYR 248 CO 0.18 -0.71 -0.17 0.42 -1.34 0.00 0.00 175.55 173.93 1y5i s ILE 249 N 2.72 1.44 -0.17 3.14 1.01 -0.72 -0.04 121.20 128.58 1y5i s ILE 249 Ca 0.09 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1y5i s ILE 249 Cb -0.14 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 1y5i s ILE 249 CO -0.17 0.42 -0.11 -0.63 0.00 0.00 0.00 174.94 174.45 1y5i s ILE 250 N 0.15 3.04 -0.44 2.92 1.01 -0.66 -1.27 121.20 125.94 1y5i s ILE 250 Ca -0.06 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 1y5i s ILE 250 Cb -0.13 -2.32 0.05 0.00 0.01 0.00 0.00 42.46 40.07 1y5i s ILE 250 CO 0.03 0.49 0.38 0.00 0.00 0.00 0.00 174.94 175.83 1y5i s ALA 251 N 0.93 3.50 -0.31 9.38 0.00 0.11 -0.83 121.76 134.54 1y5i s ALA 251 Ca -0.02 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1y5i s ALA 251 Cb -0.15 -3.02 0.06 0.00 0.00 0.00 0.00 23.12 20.02 1y5i s ALA 251 CO -0.01 -1.63 -0.00 -0.46 0.00 0.00 0.00 175.76 173.67 1y5i s TRP 252 N 1.78 3.36 -1.48 0.00 -0.11 0.44 -1.28 118.94 121.66 1y5i s TRP 252 Ca 0.06 -2.18 0.00 0.00 1.22 0.00 0.00 56.10 55.21 1y5i s TRP 252 Cb -0.21 -2.27 0.00 0.00 -1.50 0.00 0.00 33.47 29.49 1y5i s TRP 252 CO 0.09 -0.86 0.00 0.41 -4.62 0.00 0.00 176.95 171.97 1y5i n GLY 253 N 4.53 -0.23 2.80 5.86 0.00 -0.92 -3.28 105.19 113.96 1y5i n GLY 253 Ca -0.10 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1y5i n GLY 253 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y5i s SER 254 N -2.26 2.18 -1.19 1.61 0.15 -1.26 -1.54 113.70 111.39 1y5i s SER 254 Ca 0.00 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.22 1y5i s SER 254 Cb 0.00 -0.61 0.22 0.00 -1.71 0.00 0.00 66.02 63.92 1y5i s SER 254 CO 0.00 -0.21 1.90 -3.20 1.20 0.00 0.00 173.24 172.93 1y5i n ASN 255 N 5.05 6.66 -0.33 5.45 5.15 -1.26 -4.85 115.26 131.14 1y5i n ASN 255 Ca -0.09 -3.32 -0.04 0.00 -0.60 0.00 0.00 54.58 50.53 1y5i n ASN 255 Cb 0.49 -1.33 -0.01 0.00 -0.53 0.00 0.00 39.78 38.40 1y5i n ASN 255 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1y5i n VAL 256 N 1.69 -0.48 0.12 3.44 0.31 -1.26 -0.78 118.33 121.38 1y5i n VAL 256 Ca 0.43 1.95 0.09 0.00 -0.01 0.00 0.00 64.34 66.81 1y5i n VAL 256 Cb 0.30 -2.51 0.58 0.00 -0.91 0.00 0.00 33.84 31.30 1y5i n VAL 256 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1y5i h PRO 257 N 0.00 0.17 0.11 5.55 0.13 -1.89 0.85 132.00 136.92 1y5i h PRO 257 Ca 0.23 -0.01 -0.36 0.00 -0.87 0.00 0.00 66.00 64.99 1y5i h PRO 257 Cb 0.43 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 1y5i h PRO 257 CO -0.80 0.11 -1.94 0.94 -0.23 0.00 0.00 178.00 176.08 1y5i n GLN 258 N -4.49 0.74 0.00 0.86 7.27 0.04 -3.85 117.38 117.95 1y5i n GLN 258 Ca 0.02 0.29 0.07 0.00 0.07 0.00 0.00 57.00 57.45 1y5i n GLN 258 Cb 0.20 -1.71 0.04 0.00 2.41 0.00 0.00 30.24 31.18 1y5i n GLN 258 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1y5i n THR 259 N -3.57 0.00 -2.63 1.69 -2.24 -0.28 -4.36 114.28 102.89 1y5i n THR 259 Ca -0.32 -0.45 -0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1y5i n THR 259 Cb 1.02 1.27 0.04 0.00 -2.10 0.00 0.00 70.33 70.56 1y5i n THR 259 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1y5i n ARG 260 N 0.52 1.30 -0.37 -0.78 3.00 0.28 -4.96 116.66 115.65 1y5i n ARG 260 Ca 0.08 -3.07 -0.05 0.00 -0.00 0.00 0.00 57.85 54.81 1y5i n ARG 260 Cb 0.35 -1.14 -0.02 0.00 0.00 0.00 0.00 32.46 31.65 1y5i n ARG 260 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1y5i n THR 261 N -0.28 -0.55 0.27 5.15 -1.04 -1.16 -0.94 114.28 115.73 1y5i n THR 261 Ca 0.10 2.21 0.13 0.00 -2.04 0.00 0.00 64.05 64.44 1y5i n THR 261 Cb 0.92 -2.83 0.61 0.00 -1.82 0.00 0.00 70.33 67.21 1y5i n THR 261 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1y5i h PRO 262 N 0.00 0.00 0.00 -2.82 0.13 -1.90 -2.58 132.00 124.83 1y5i h PRO 262 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1y5i h PRO 262 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1y5i h PRO 262 CO -0.90 0.00 -0.90 -0.25 -0.23 0.00 0.00 178.00 175.72 1y5i n ASP 263 N -2.37 0.82 -0.08 1.44 8.00 -0.12 -4.52 116.55 119.73 1y5i n ASP 263 Ca -0.00 -0.78 0.21 0.00 0.71 0.00 0.00 54.79 54.93 1y5i n ASP 263 Cb 0.13 1.10 0.65 0.00 -0.02 0.00 0.00 41.12 42.98 1y5i n ASP 263 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y5i h ALA 264 N 2.22 2.48 0.00 2.24 0.00 -0.88 -1.64 119.26 123.69 1y5i h ALA 264 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y5i h ALA 264 Cb 0.43 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1y5i h ALA 264 CO 0.00 -0.67 -0.00 1.12 0.00 0.00 0.00 179.25 179.70 1y5i h HIS 265 N 0.10 0.00 -0.24 0.00 2.07 -1.82 -0.20 115.15 115.06 1y5i h HIS 265 Ca 0.32 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.78 1y5i h HIS 265 Cb 1.12 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.09 1y5i h HIS 265 CO -0.00 0.00 -0.11 0.74 -3.07 0.00 0.00 177.93 175.49 1y5i h PHE 266 N 0.00 0.42 -0.02 6.12 -1.00 -1.64 0.21 116.94 121.02 1y5i h PHE 266 Ca -0.00 -0.05 -0.14 0.00 2.81 0.00 0.00 57.97 60.58 1y5i h PHE 266 Cb 0.00 -0.12 0.01 0.00 3.61 0.00 0.00 35.95 39.46 1y5i h PHE 266 CO 0.00 0.50 -0.55 0.35 -1.61 0.00 0.00 178.31 177.00 1y5i h PHE 267 N 0.37 0.59 -0.24 -0.55 3.04 -1.21 -1.40 116.94 117.55 1y5i h PHE 267 Ca 0.07 -0.31 -0.14 0.00 3.98 0.00 0.00 57.97 61.58 1y5i h PHE 267 Cb 0.42 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1y5i h PHE 267 CO 0.01 1.11 -0.44 1.79 -2.02 0.00 0.00 178.31 178.77 1y5i h THR 268 N -0.09 1.30 -0.09 4.41 1.35 -1.08 -3.25 112.91 115.46 1y5i h THR 268 Ca -0.06 -1.62 -0.19 0.00 -0.55 0.00 0.00 66.41 63.99 1y5i h THR 268 Cb 1.25 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1y5i h THR 268 CO 0.11 0.51 -0.74 -0.33 -0.25 0.00 0.00 175.52 174.82 1y5i h GLU 269 N 0.48 0.47 0.00 4.72 5.08 -0.65 -3.17 114.58 121.51 1y5i h GLU 269 Ca 0.03 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1y5i h GLU 269 Cb 0.95 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1y5i h GLU 269 CO 0.09 1.02 -0.06 -0.24 -1.00 0.00 0.00 179.01 178.81 1y5i h VAL 270 N 0.32 0.29 -0.08 3.13 3.04 -1.28 -0.67 116.25 120.99 1y5i h VAL 270 Ca -0.03 -0.40 -0.02 0.00 -1.01 0.00 0.00 66.70 65.24 1y5i h VAL 270 Cb 1.32 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 31.89 1y5i h VAL 270 CO 0.13 0.06 -0.06 0.03 -1.01 0.00 0.00 177.57 176.72 1y5i h ARG 271 N 0.00 0.12 0.00 4.17 3.08 -1.61 -1.67 114.38 118.47 1y5i h ARG 271 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1y5i h ARG 271 Cb 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1y5i h ARG 271 CO 0.01 0.19 0.00 1.88 -1.07 0.00 0.00 179.97 180.98 1y5i h TYR 272 N 0.12 0.00 -0.19 3.04 0.05 -1.27 -2.09 116.97 116.62 1y5i h TYR 272 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1y5i h TYR 272 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1y5i h TYR 272 CO 0.00 0.00 0.00 1.17 -1.05 0.00 0.00 178.16 178.28 1y5i n LYS 273 N -2.52 1.64 -0.14 4.88 4.81 -0.64 -4.89 118.16 121.29 1y5i n LYS 273 Ca 0.03 -0.97 0.00 0.00 -0.87 0.00 0.00 58.31 56.49 1y5i n LYS 273 Cb 0.32 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.04 1y5i n LYS 273 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y5i n GLY 274 N 1.04 0.62 3.72 3.14 0.00 -0.78 -5.06 105.19 107.87 1y5i n GLY 274 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1y5i n GLY 274 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y5i s THR 275 N -2.24 3.70 0.10 2.61 2.01 -1.12 -4.99 115.64 115.70 1y5i s THR 275 Ca 0.00 1.28 -0.15 0.00 0.31 0.00 0.00 61.69 63.13 1y5i s THR 275 Cb 0.00 -3.82 -0.07 0.00 0.01 0.00 0.00 72.50 68.63 1y5i s THR 275 CO 0.00 0.13 0.52 -0.75 -0.69 0.00 0.00 174.62 173.83 1y5i s LYS 276 N 0.67 4.00 0.03 4.92 2.20 -1.18 -4.36 119.74 126.02 1y5i s LYS 276 Ca 0.58 0.51 0.05 0.00 -0.36 0.00 0.00 55.97 56.75 1y5i s LYS 276 Cb -0.32 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1y5i s LYS 276 CO 0.32 0.55 -0.15 0.95 -0.36 0.00 0.00 175.35 176.66 1y5i s THR 277 N -1.33 1.20 -0.04 3.43 -4.23 -1.26 -1.75 115.64 111.66 1y5i s THR 277 Ca 0.34 -0.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 1y5i s THR 277 Cb -0.16 -1.07 0.01 0.00 1.34 0.00 0.00 72.50 72.63 1y5i s THR 277 CO 0.18 0.09 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.59 1y5i s VAL 278 N -0.76 0.69 -0.18 2.29 1.01 -0.40 -1.08 120.40 121.97 1y5i s VAL 278 Ca 0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1y5i s VAL 278 Cb -0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1y5i s VAL 278 CO 0.01 0.24 0.08 0.00 0.00 0.00 0.00 175.10 175.44 1y5i s ALA 279 N 0.60 3.51 -0.38 5.51 0.00 -0.47 0.05 121.76 130.57 1y5i s ALA 279 Ca -0.09 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1y5i s ALA 279 Cb -0.12 -1.99 0.11 0.00 0.00 0.00 0.00 23.12 21.11 1y5i s ALA 279 CO 0.01 0.20 0.12 0.08 0.00 0.00 0.00 175.76 176.16 1y5i s VAL 280 N 0.29 2.09 -0.04 0.00 1.01 -0.40 -0.87 120.40 122.48 1y5i s VAL 280 Ca 0.05 -2.45 -0.07 0.00 0.00 0.00 0.00 61.98 59.51 1y5i s VAL 280 Cb -0.12 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1y5i s VAL 280 CO -0.00 -0.68 0.16 0.42 0.00 0.00 0.00 175.10 175.00 1y5i s THR 281 N 0.69 0.03 0.35 3.92 -4.23 -0.71 -2.16 115.64 113.53 1y5i s THR 281 Ca 0.13 -0.25 0.13 0.00 -1.18 0.00 0.00 61.69 60.51 1y5i s THR 281 Cb -0.21 -0.32 0.08 0.00 1.34 0.00 0.00 72.50 73.39 1y5i s THR 281 CO -0.08 -0.14 1.79 1.55 -0.54 0.00 0.00 174.62 177.21 1y5i h PRO 282 N 5.29 0.00 -6.30 3.99 0.13 -1.83 -3.35 132.00 129.94 1y5i h PRO 282 Ca -0.27 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.40 1y5i h PRO 282 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1y5i h PRO 282 CO 0.40 0.41 -0.34 0.16 -0.23 0.00 0.00 178.00 178.40 1y5i s ASP 283 N -6.89 5.43 -0.99 1.44 3.84 -1.26 -4.61 116.67 113.63 1y5i s ASP 283 Ca -0.02 -0.52 -0.20 0.00 -0.00 0.00 0.00 52.55 51.80 1y5i s ASP 283 Cb 0.14 -0.74 0.09 0.00 -1.38 0.00 0.00 42.92 41.03 1y5i s ASP 283 CO 0.73 -0.63 1.30 -0.47 -0.00 0.00 0.00 175.17 176.10 1y5i s TYR 284 N -2.37 2.86 0.70 2.11 6.14 -0.90 -4.98 117.35 120.91 1y5i s TYR 284 Ca 0.49 -1.18 -0.08 0.00 0.64 0.00 0.00 57.07 56.94 1y5i s TYR 284 Cb -0.07 -4.48 0.05 0.00 0.42 0.00 0.00 41.96 37.88 1y5i s TYR 284 CO 0.30 -1.69 1.03 0.00 0.64 0.00 0.00 175.55 175.82 1y5i s ALA 285 N 3.70 3.07 0.33 3.97 0.00 -1.26 -4.94 121.76 126.63 1y5i s ALA 285 Ca 0.39 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1y5i s ALA 285 Cb -0.02 -2.72 0.65 0.00 0.00 0.00 0.00 23.12 21.04 1y5i s ALA 285 CO -0.09 -1.23 1.91 0.93 0.00 0.00 0.00 175.76 177.28 1y5i h GLU 286 N -0.59 0.85 -0.59 0.00 5.08 -1.94 -1.08 114.58 116.30 1y5i h GLU 286 Ca -0.45 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1y5i h GLU 286 Cb 1.30 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1y5i h GLU 286 CO 0.62 0.56 0.40 0.97 -1.00 0.00 0.00 179.01 180.56 1y5i h ILE 287 N 0.88 0.93 -0.11 3.13 6.09 -1.89 -1.36 117.51 125.18 1y5i h ILE 287 Ca 0.39 -0.16 -0.03 0.00 -1.37 0.00 0.00 64.86 63.69 1y5i h ILE 287 Cb 0.36 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 38.07 1y5i h ILE 287 CO -0.16 0.09 -0.06 0.00 -3.07 0.00 0.00 178.15 174.95 1y5i h ALA 288 N 1.69 1.70 -0.16 0.18 0.00 -1.56 -1.49 119.26 119.62 1y5i h ALA 288 Ca 0.27 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1y5i h ALA 288 Cb 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1y5i h ALA 288 CO -0.08 0.23 0.14 -0.22 0.00 0.00 0.00 179.25 179.32 1y5i h LYS 289 N 0.16 0.00 -0.01 0.00 3.11 -1.31 -2.01 116.57 116.51 1y5i h LYS 289 Ca 0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1y5i h LYS 289 Cb 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 1y5i h LYS 289 CO 0.01 0.00 -0.48 1.28 -2.81 0.00 0.00 179.45 177.45 1y5i n LEU 290 N -4.13 1.28 -4.96 5.20 4.77 -0.56 -5.00 117.00 113.59 1y5i n LEU 290 Ca 0.01 -0.42 -0.19 0.00 -0.03 0.00 0.00 56.01 55.37 1y5i n LEU 290 Cb 0.26 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1y5i n LEU 290 CO 0.31 0.25 0.13 0.00 -1.33 0.00 0.00 177.39 176.75 1y5i h ASP 292 N 0.70 0.00 -3.75 0.00 3.32 -1.41 -3.47 116.42 111.81 1y5i h ASP 292 Ca -0.39 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.49 1y5i h ASP 292 Cb 1.28 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.56 1y5i h ASP 292 CO 0.49 0.19 -0.47 -0.22 -1.72 0.00 0.00 179.24 177.51 1y5i s LEU 293 N -5.63 1.07 -0.25 1.55 2.96 -1.18 -5.05 118.68 112.16 1y5i s LEU 293 Ca -0.00 0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 54.34 1y5i s LEU 293 Cb 0.09 0.74 0.02 0.00 0.50 0.00 0.00 46.19 47.54 1y5i s LEU 293 CO 0.78 -0.09 -0.06 0.86 -1.32 0.00 0.00 176.35 176.52 1y5i s TRP 294 N 0.28 3.05 -0.11 5.38 -0.00 -1.26 -1.37 118.94 124.91 1y5i s TRP 294 Ca -0.01 -1.50 -0.03 0.00 -0.00 0.00 0.00 56.10 54.56 1y5i s TRP 294 Cb -0.03 -2.06 -0.03 0.00 -0.00 0.00 0.00 33.47 31.35 1y5i s TRP 294 CO -0.01 -0.72 -0.01 -0.51 -0.00 0.00 0.00 176.95 175.70 1y5i s LEU 295 N 1.34 3.45 -0.56 5.86 1.43 -0.05 -5.00 118.68 125.14 1y5i s LEU 295 Ca 0.01 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1y5i s LEU 295 Cb -0.16 -1.80 0.28 0.00 0.03 0.00 0.00 46.19 44.53 1y5i s LEU 295 CO -0.04 0.29 0.76 0.00 0.23 0.00 0.00 176.35 177.59 1y5i n ALA 296 N 2.71 3.77 -1.25 4.21 0.00 -1.26 -1.73 120.51 126.96 1y5i n ALA 296 Ca -0.18 -4.41 -0.34 0.00 0.00 0.00 0.00 53.44 48.51 1y5i n ALA 296 Cb 0.53 -0.85 0.11 0.00 0.00 0.00 0.00 19.45 19.24 1y5i n ALA 296 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1y5i s PRO 297 N -2.50 1.95 0.28 0.00 0.04 -1.26 -4.73 135.00 128.77 1y5i s PRO 297 Ca 0.41 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 1y5i s PRO 297 Cb 0.20 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.81 1y5i s PRO 297 CO -0.06 -1.97 1.59 1.17 0.04 0.00 0.00 177.00 177.76 1y5i n LYS 298 N -2.98 2.64 -1.71 4.56 3.00 -0.49 -4.00 118.16 119.18 1y5i n LYS 298 Ca 0.13 0.94 -0.40 0.00 -0.00 0.00 0.00 58.31 58.99 1y5i n LYS 298 Cb 0.50 -2.72 0.03 0.00 0.00 0.00 0.00 35.03 32.85 1y5i n LYS 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1y5i n GLN 299 N 2.29 1.74 -0.37 1.64 0.00 -1.26 -2.33 117.38 119.09 1y5i n GLN 299 Ca 0.09 0.63 0.00 0.00 0.00 0.00 0.00 57.00 57.72 1y5i n GLN 299 Cb 0.36 -2.44 0.00 0.00 0.00 0.00 0.00 30.24 28.16 1y5i n GLN 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1y5i n GLY 300 N 0.83 1.82 0.79 2.61 0.00 -1.26 -4.86 105.19 105.12 1y5i n GLY 300 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1y5i n GLY 300 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y5i n THR 301 N -2.00 1.42 -0.17 2.61 -2.24 -0.98 -4.52 114.28 108.40 1y5i n THR 301 Ca 0.00 -1.26 0.10 0.00 -2.27 0.00 0.00 64.05 60.62 1y5i n THR 301 Cb 0.00 0.26 0.42 0.00 -2.10 0.00 0.00 70.33 68.92 1y5i n THR 301 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1y5i h ASP 302 N 2.16 0.54 -0.28 3.42 3.32 -1.90 -1.77 116.42 121.92 1y5i h ASP 302 Ca 0.00 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1y5i h ASP 302 Cb 0.99 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 1y5i h ASP 302 CO 0.08 0.32 0.19 0.00 -1.72 0.00 0.00 179.24 178.10 1y5i h ALA 303 N 1.64 1.86 -0.48 3.45 0.00 -1.85 -0.67 119.26 123.20 1y5i h ALA 303 Ca 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1y5i h ALA 303 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1y5i h ALA 303 CO -0.12 0.12 0.20 0.00 0.00 0.00 0.00 179.25 179.45 1y5i h ALA 304 N 1.83 0.62 -0.47 0.00 0.00 -1.69 0.21 119.26 119.76 1y5i h ALA 304 Ca 0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1y5i h ALA 304 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1y5i h ALA 304 CO -0.02 0.21 0.02 1.98 0.00 0.00 0.00 179.25 181.44 1y5i h MET 305 N 0.63 0.82 -0.89 0.00 -1.53 -1.28 -2.48 114.93 110.20 1y5i h MET 305 Ca 0.16 -0.25 -0.02 0.00 -3.44 0.00 0.00 59.70 56.15 1y5i h MET 305 Cb 0.17 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.10 1y5i h MET 305 CO -0.02 0.86 0.47 0.00 0.14 0.00 0.00 176.91 178.36 1y5i h ALA 306 N 0.93 1.15 -0.39 0.39 0.00 -0.91 -2.06 119.26 118.38 1y5i h ALA 306 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1y5i h ALA 306 Cb 0.47 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1y5i h ALA 306 CO 0.02 0.67 0.18 -0.07 0.00 0.00 0.00 179.25 180.04 1y5i h LEU 307 N 1.25 0.51 -1.02 0.00 3.38 -0.74 -1.39 115.31 117.31 1y5i h LEU 307 Ca 0.31 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1y5i h LEU 307 Cb 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1y5i h LEU 307 CO -0.05 0.51 0.40 0.00 0.09 0.00 0.00 178.44 179.39 1y5i h ALA 308 N 1.02 1.24 -0.53 1.53 0.00 -1.27 -0.43 119.26 120.84 1y5i h ALA 308 Ca 0.13 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1y5i h ALA 308 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1y5i h ALA 308 CO -0.02 0.60 -0.13 0.52 0.00 0.00 0.00 179.25 180.22 1y5i h MET 309 N 1.10 1.02 -0.31 0.00 2.86 -1.15 -1.93 114.93 116.51 1y5i h MET 309 Ca 0.27 -0.39 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 1y5i h MET 309 Cb 0.07 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1y5i h MET 309 CO -0.04 1.07 -0.11 0.78 1.06 0.00 0.00 176.91 179.67 1y5i h GLY 310 N 0.89 0.58 0.96 8.32 0.00 -0.82 -0.85 103.07 112.15 1y5i h GLY 310 Ca 0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1y5i h GLY 310 CO 0.05 0.37 0.03 0.84 0.00 0.00 0.00 176.54 177.83 1y5i h HIS 311 N 0.49 0.06 -0.60 5.60 6.17 -0.76 0.20 115.15 126.31 1y5i h HIS 311 Ca 0.09 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 1y5i h HIS 311 Cb 0.50 -0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.38 1y5i h HIS 311 CO 0.02 0.08 0.34 0.28 0.71 0.00 0.00 177.93 179.35 1y5i h VAL 312 N 0.02 1.19 -0.24 5.26 2.07 -1.09 -0.55 116.25 122.91 1y5i h VAL 312 Ca 0.02 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1y5i h VAL 312 Cb 0.04 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1y5i h VAL 312 CO -0.00 0.21 0.15 0.24 0.02 0.00 0.00 177.57 178.19 1y5i h MET 313 N 0.82 0.33 0.09 1.57 2.86 -0.71 -0.47 114.93 119.41 1y5i h MET 313 Ca 0.21 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1y5i h MET 313 Cb 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1y5i h MET 313 CO -0.04 0.25 -0.04 -0.07 1.06 0.00 0.00 176.91 178.07 1y5i h LEU 314 N 0.31 -0.10 -0.33 1.22 3.38 -0.40 0.61 115.31 120.00 1y5i h LEU 314 Ca 0.09 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1y5i h LEU 314 Cb 0.00 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1y5i h LEU 314 CO -0.02 0.02 -0.10 -0.09 0.09 0.00 0.00 178.44 178.34 1y5i h ARG 315 N -0.21 -0.03 0.04 1.13 9.65 -0.96 -0.12 114.38 123.87 1y5i h ARG 315 Ca -0.01 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.58 1y5i h ARG 315 Cb 0.17 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.72 1y5i h ARG 315 CO 0.02 -0.02 -1.60 0.93 2.80 0.00 0.00 179.97 182.10 1y5i h GLU 316 N -0.03 0.07 -0.01 0.20 5.08 -1.03 -0.68 114.58 118.19 1y5i h GLU 316 Ca 0.16 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1y5i h GLU 316 Cb 0.28 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1y5i h GLU 316 CO -0.36 0.76 -0.39 1.19 -1.00 0.00 0.00 179.01 179.22 1y5i n PHE 317 N -3.21 0.00 -0.03 4.33 3.72 0.20 -2.80 117.46 119.67 1y5i n PHE 317 Ca -0.16 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.20 1y5i n PHE 317 Cb 1.03 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.55 1y5i n PHE 317 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1y5i n HIS 318 N -0.62 0.00 0.00 1.38 8.25 -0.66 -0.32 115.22 123.25 1y5i n HIS 318 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1y5i n HIS 318 Cb 0.24 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1y5i n HIS 318 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y5i n LEU 319 N -2.81 0.14 -0.22 2.41 4.32 -0.15 -4.09 117.00 116.60 1y5i n LEU 319 Ca -0.09 0.24 -0.07 0.00 -0.02 0.00 0.00 56.01 56.07 1y5i n LEU 319 Cb 0.59 -0.46 0.03 0.00 -1.62 0.00 0.00 43.42 41.96 1y5i n LEU 319 CO 0.04 -0.46 1.01 0.44 -1.22 0.00 0.00 177.39 177.20 1y5i h ASP 320 N 0.00 0.82 -2.07 -1.43 3.45 -1.32 -3.35 116.42 112.52 1y5i h ASP 320 Ca 0.00 -0.15 -0.57 0.00 0.43 0.00 0.00 57.03 56.74 1y5i h ASP 320 Cb 0.00 -0.21 -0.39 0.00 -0.56 0.00 0.00 39.33 38.17 1y5i h ASP 320 CO 0.00 0.74 -1.05 -3.20 -1.57 0.00 0.00 179.24 174.17 1y5i n ASN 321 N -4.48 0.41 -4.53 6.45 5.15 -1.12 -5.06 115.26 112.07 1y5i n ASN 321 Ca 0.04 -2.72 -0.58 0.00 -0.60 0.00 0.00 54.58 50.72 1y5i n ASN 321 Cb 0.14 -0.63 -0.08 0.00 -0.53 0.00 0.00 39.78 38.68 1y5i n ASN 321 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1y5i n PRO 322 N 1.54 0.19 -3.00 1.20 -0.04 -1.26 -4.52 135.00 129.12 1y5i n PRO 322 Ca 0.23 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.35 1y5i n PRO 322 Cb 0.51 -1.60 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 1y5i n PRO 322 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1y5i s SER 323 N 0.28 6.91 0.19 3.54 0.15 0.57 -4.94 113.70 120.40 1y5i s SER 323 Ca 0.91 1.11 -0.10 0.00 0.70 0.00 0.00 55.95 58.57 1y5i s SER 323 Cb -1.23 -2.42 0.11 0.00 -1.71 0.00 0.00 66.02 60.78 1y5i s SER 323 CO 0.57 -0.26 1.76 -0.61 1.20 0.00 0.00 173.24 175.91 1y5i h GLN 324 N 7.13 1.01 0.05 5.44 4.15 -1.90 -0.56 115.11 130.42 1y5i h GLN 324 Ca -0.35 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 58.91 1y5i h GLN 324 Cb 1.16 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1y5i h GLN 324 CO 0.79 0.82 -0.02 -0.92 -1.93 0.00 0.00 178.83 177.56 1y5i h TYR 325 N 0.96 -0.06 -0.67 3.99 3.20 -1.93 -2.61 116.97 119.86 1y5i h TYR 325 Ca 0.23 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 1y5i h TYR 325 Cb 0.17 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1y5i h TYR 325 CO 0.01 0.09 0.25 0.74 -1.64 0.00 0.00 178.16 177.61 1y5i h PHE 326 N -0.20 1.04 -0.14 -3.82 0.05 -1.85 -2.34 116.94 109.68 1y5i h PHE 326 Ca -0.01 -0.09 -0.01 0.00 3.82 0.00 0.00 57.97 61.69 1y5i h PHE 326 Cb 0.18 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 37.81 1y5i h PHE 326 CO -0.03 0.82 0.06 1.15 -0.18 0.00 0.00 178.31 180.13 1y5i h THR 327 N 0.96 1.15 -0.95 -1.55 2.02 -1.08 -1.44 112.91 112.03 1y5i h THR 327 Ca 0.22 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.95 1y5i h THR 327 Cb 0.24 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 1y5i h THR 327 CO -0.01 0.14 0.63 -0.78 0.37 0.00 0.00 175.52 175.87 1y5i h ASP 328 N 0.07 1.09 0.29 4.18 3.58 -1.44 -2.24 116.42 121.95 1y5i h ASP 328 Ca 0.05 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1y5i h ASP 328 Cb 0.17 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1y5i h ASP 328 CO -0.00 0.79 -0.14 0.22 -2.88 0.00 0.00 179.24 177.23 1y5i h TYR 329 N 1.29 -0.36 0.00 0.28 5.03 -1.17 -1.56 116.97 120.48 1y5i h TYR 329 Ca 0.35 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.63 1y5i h TYR 329 Cb -0.15 0.12 -0.00 0.00 1.55 0.00 0.00 36.73 38.25 1y5i h TYR 329 CO -0.00 -0.17 -0.11 -0.39 -1.32 0.00 0.00 178.16 176.17 1y5i h VAL 330 N -0.47 0.37 -0.24 1.81 -1.51 -1.17 0.10 116.25 115.15 1y5i h VAL 330 Ca -0.04 -0.63 -0.11 0.00 -1.23 0.00 0.00 66.70 64.69 1y5i h VAL 330 Cb 0.35 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1y5i h VAL 330 CO 0.06 0.11 -0.27 -0.09 -1.23 0.00 0.00 177.57 176.15 1y5i h ARG 331 N 0.00 0.60 0.00 5.19 2.43 -1.08 -3.03 114.38 118.49 1y5i h ARG 331 Ca -0.00 -0.33 -0.23 0.00 -0.81 0.00 0.00 59.98 58.61 1y5i h ARG 331 Cb 0.45 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1y5i h ARG 331 CO 0.01 0.93 -1.61 0.54 -1.51 0.00 0.00 179.97 178.33 1y5i n ARG 332 N -4.33 0.63 -0.07 0.20 1.74 -0.61 -4.58 116.66 109.64 1y5i n ARG 332 Ca -0.05 0.23 0.04 0.00 -0.77 0.00 0.00 57.85 57.31 1y5i n ARG 332 Cb 0.46 -1.78 0.08 0.00 -1.02 0.00 0.00 32.46 30.19 1y5i n ARG 332 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1y5i n TYR 333 N -2.93 0.17 -4.52 -1.55 4.02 0.32 -5.00 117.16 107.67 1y5i n TYR 333 Ca -0.14 -0.24 -0.25 0.00 -0.01 0.00 0.00 57.90 57.27 1y5i n TYR 333 Cb 0.94 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 40.15 1y5i n TYR 333 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1y5i s THR 334 N -0.86 1.33 -1.60 -0.72 -4.23 -1.14 -1.10 115.64 107.33 1y5i s THR 334 Ca 0.14 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1y5i s THR 334 Cb 0.08 -2.75 0.37 0.00 1.34 0.00 0.00 72.50 71.54 1y5i s THR 334 CO 0.12 0.00 1.25 -0.90 -0.54 0.00 0.00 174.62 174.55 1y5i n ASP 335 N -0.87 2.49 -0.26 3.99 5.75 -0.90 -4.50 116.55 122.25 1y5i n ASP 335 Ca -0.05 -2.14 0.02 0.00 -0.01 0.00 0.00 54.79 52.62 1y5i n ASP 335 Cb 0.67 -0.36 0.15 0.00 -1.03 0.00 0.00 41.12 40.55 1y5i n ASP 335 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 1y5i h MET 336 N 2.23 0.60 0.00 0.11 2.86 -1.86 -0.34 114.93 118.53 1y5i h MET 336 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1y5i h MET 336 Cb 0.74 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1y5i h MET 336 CO 0.07 0.39 0.00 -0.35 1.06 0.00 0.00 176.91 178.09 1y5i n PRO 337 N -4.86 0.16 -2.04 -0.22 -0.04 -1.26 -0.45 135.00 126.29 1y5i n PRO 337 Ca 0.12 0.12 -0.39 0.00 -0.04 0.00 0.00 63.50 63.31 1y5i n PRO 337 Cb 0.30 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1y5i n PRO 337 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1y5i s MET 338 N -2.77 3.75 -0.07 0.54 -1.94 -0.14 -4.32 119.30 114.36 1y5i s MET 338 Ca 0.15 2.09 -0.21 0.00 -1.71 0.00 0.00 55.69 56.02 1y5i s MET 338 Cb 0.14 -2.57 -0.04 0.00 2.01 0.00 0.00 34.83 34.36 1y5i s MET 338 CO 0.34 -0.65 0.59 -0.51 -0.01 0.00 0.00 175.02 174.78 1y5i s LEU 339 N -2.79 4.33 -0.09 -0.03 1.43 0.67 -0.98 118.68 121.22 1y5i s LEU 339 Ca 0.61 1.05 0.01 0.00 -1.03 0.00 0.00 54.13 54.77 1y5i s LEU 339 Cb -0.36 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 1y5i s LEU 339 CO 0.46 -0.01 -0.09 -0.69 0.23 0.00 0.00 176.35 176.24 1y5i s VAL 340 N 0.44 3.45 0.09 -1.59 1.01 0.23 -0.25 120.40 123.78 1y5i s VAL 340 Ca 0.32 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 1y5i s VAL 340 Cb -0.17 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 1y5i s VAL 340 CO 0.15 0.57 0.72 -0.04 0.00 0.00 0.00 175.10 176.50 1y5i s MET 341 N -0.44 4.46 0.02 2.72 1.00 -0.56 -1.11 119.30 125.40 1y5i s MET 341 Ca 0.06 1.01 -0.13 0.00 0.00 0.00 0.00 55.69 56.64 1y5i s MET 341 Cb -0.12 -3.30 -0.06 0.00 0.00 0.00 0.00 34.83 31.35 1y5i s MET 341 CO 0.02 0.46 0.40 -0.51 0.00 0.00 0.00 175.02 175.39 1y5i s LEU 342 N -0.67 4.43 -0.11 -0.03 1.43 0.11 0.81 118.68 124.65 1y5i s LEU 342 Ca 0.35 0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 54.31 1y5i s LEU 342 Cb -0.21 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 1y5i s LEU 342 CO 0.23 0.28 0.00 -1.61 0.23 0.00 0.00 176.35 175.48 1y5i s GLU 343 N -1.35 3.23 -0.01 1.70 2.02 0.10 -4.63 118.70 119.76 1y5i s GLU 343 Ca 0.27 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.54 1y5i s GLU 343 Cb -0.16 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 1y5i s GLU 343 CO 0.15 0.57 1.17 -1.21 0.02 0.00 0.00 175.26 175.95 1y5i s GLU 344 N -0.51 4.40 0.08 1.61 2.02 -1.26 -0.99 118.70 124.06 1y5i s GLU 344 Ca 0.09 1.67 0.00 0.00 0.02 0.00 0.00 54.97 56.75 1y5i s GLU 344 Cb -0.12 -3.47 -0.00 0.00 0.10 0.00 0.00 34.13 30.64 1y5i s GLU 344 CO 0.02 -0.33 0.00 0.54 0.02 0.00 0.00 175.26 175.51 1y5i n ARG 345 N 4.62 1.74 -2.47 1.61 5.12 0.27 -4.91 116.66 122.64 1y5i n ARG 345 Ca 0.10 -0.61 -0.39 0.00 -1.93 0.00 0.00 57.85 55.02 1y5i n ARG 345 Cb 0.47 0.17 -0.03 0.00 -1.16 0.00 0.00 32.46 31.91 1y5i n ARG 345 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1y5i s ASP 346 N -1.46 6.21 0.00 0.55 3.68 -1.26 -3.76 116.67 120.63 1y5i s ASP 346 Ca 0.00 -1.09 0.00 0.00 2.13 0.00 0.00 52.55 53.60 1y5i s ASP 346 Cb 0.00 -2.57 0.00 0.00 -1.45 0.00 0.00 42.92 38.90 1y5i s ASP 346 CO 0.00 -1.77 0.00 0.61 0.13 0.00 0.00 175.17 174.14 1y5i n GLY 347 N 6.55 0.96 3.05 2.66 0.00 -1.26 -5.01 105.19 112.14 1y5i n GLY 347 Ca 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 1y5i n GLY 347 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1y5i n TYR 348 N -2.00 -1.85 -4.41 1.61 4.11 -1.25 -4.95 117.16 108.42 1y5i n TYR 348 Ca 0.00 -1.72 -0.24 0.00 -0.00 0.00 0.00 57.90 55.95 1y5i n TYR 348 Cb 0.00 0.67 -0.09 0.00 -0.00 0.00 0.00 39.34 39.92 1y5i n TYR 348 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1y5i s TYR 349 N -3.27 2.42 0.04 -3.48 2.02 0.10 -0.56 117.35 114.62 1y5i s TYR 349 Ca 0.17 -0.30 0.08 0.00 -0.37 0.00 0.00 57.07 56.65 1y5i s TYR 349 Cb -0.03 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.45 1y5i s TYR 349 CO 0.13 0.69 -0.22 0.00 -1.57 0.00 0.00 175.55 174.57 1y5i s ALA 350 N -2.45 1.90 0.08 3.71 0.00 -0.16 -0.37 121.76 124.46 1y5i s ALA 350 Ca 0.30 -1.11 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 1y5i s ALA 350 Cb -0.05 -0.39 -0.08 0.00 0.00 0.00 0.00 23.12 22.60 1y5i s ALA 350 CO 0.17 0.44 1.48 0.00 0.00 0.00 0.00 175.76 177.85 1y5i s ALA 351 N -0.78 3.64 0.00 0.00 0.00 -1.26 0.02 121.76 123.38 1y5i s ALA 351 Ca 0.09 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1y5i s ALA 351 Cb -0.09 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1y5i s ALA 351 CO 0.02 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1y5i n GLY 352 N 3.70 3.19 3.78 0.00 0.00 0.24 -4.82 105.19 111.28 1y5i n GLY 352 Ca 0.13 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 1y5i n GLY 352 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y5i s ARG 353 N 3.04 2.28 0.43 1.61 1.70 -1.26 -4.50 118.95 122.25 1y5i s ARG 353 Ca 0.00 0.98 -0.23 0.00 -0.47 0.00 0.00 55.73 56.01 1y5i s ARG 353 Cb 0.00 -1.91 -0.08 0.00 -0.57 0.00 0.00 34.95 32.39 1y5i s ARG 353 CO 0.00 -1.57 1.11 -1.64 -1.08 0.00 0.00 175.30 172.12 1y5i s MET 354 N -4.98 3.95 0.32 3.89 -1.94 -1.26 -1.49 119.30 117.78 1y5i s MET 354 Ca 0.60 1.65 -0.29 0.00 -1.71 0.00 0.00 55.69 55.95 1y5i s MET 354 Cb -0.16 -2.47 -0.10 0.00 2.01 0.00 0.00 34.83 34.11 1y5i s MET 354 CO 0.56 -0.36 1.31 -1.17 -0.01 0.00 0.00 175.02 175.35 1y5i s LEU 355 N -2.85 4.43 0.23 -0.03 2.96 0.65 -4.81 118.68 119.26 1y5i s LEU 355 Ca 0.61 2.67 0.11 0.00 -0.22 0.00 0.00 54.13 57.29 1y5i s LEU 355 Cb -0.26 -3.65 -0.05 0.00 0.50 0.00 0.00 46.19 42.74 1y5i s LEU 355 CO 0.31 -0.54 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.52 1y5i s ARG 356 N -1.61 1.81 0.29 1.98 1.81 -1.26 -3.25 118.95 118.73 1y5i s ARG 356 Ca 0.50 -1.54 0.01 0.00 -1.72 0.00 0.00 55.73 52.98 1y5i s ARG 356 Cb -0.40 -1.94 0.53 0.00 -0.45 0.00 0.00 34.95 32.70 1y5i s ARG 356 CO 0.51 0.38 1.89 0.00 -0.68 0.00 0.00 175.30 177.40 1y5i h ALA 357 N 2.61 1.52 -0.03 2.13 0.00 -0.52 -0.02 119.26 124.94 1y5i h ALA 357 Ca -0.44 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1y5i h ALA 357 Cb 1.23 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1y5i h ALA 357 CO 0.55 0.31 0.15 0.00 0.00 0.00 0.00 179.25 180.27 1y5i h ALA 358 N 1.51 1.26 0.00 0.00 0.00 -1.38 -1.78 119.26 118.88 1y5i h ALA 358 Ca 0.43 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 1y5i h ALA 358 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1y5i h ALA 358 CO -0.18 -0.17 -0.36 -0.44 0.00 0.00 0.00 179.25 178.10 1y5i h ASP 359 N 0.00 0.00 -3.59 0.00 3.32 -1.28 -3.45 116.42 111.41 1y5i h ASP 359 Ca 0.01 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.57 1y5i h ASP 359 Cb 0.32 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.88 1y5i h ASP 359 CO -0.00 0.36 0.08 -0.76 -1.72 0.00 0.00 179.24 177.20 1y5i s LEU 360 N -6.91 3.83 0.00 1.55 2.01 -0.67 -0.22 118.68 118.27 1y5i s LEU 360 Ca 0.01 1.03 0.00 0.00 0.01 0.00 0.00 54.13 55.17 1y5i s LEU 360 Cb 0.10 -3.91 0.00 0.00 0.01 0.00 0.00 46.19 42.39 1y5i s LEU 360 CO 0.69 -0.40 0.88 0.52 1.01 0.00 0.00 176.35 179.04 1y5i n VAL 361 N -1.44 0.00 1.03 -1.59 0.31 -1.26 -1.39 118.33 113.99 1y5i n VAL 361 Ca 0.01 1.38 0.01 0.00 -0.01 0.00 0.00 64.34 65.73 1y5i n VAL 361 Cb 0.54 -1.95 0.04 0.00 -0.91 0.00 0.00 33.84 31.57 1y5i n VAL 361 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1y5i n ASP 362 N -2.41 1.26 -2.39 4.52 9.92 -1.26 -4.83 116.55 121.36 1y5i n ASP 362 Ca 0.00 -2.08 -0.13 0.00 -0.53 0.00 0.00 54.79 52.05 1y5i n ASP 362 Cb 0.00 -0.40 -0.01 0.00 -0.64 0.00 0.00 41.12 40.07 1y5i n ASP 362 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1y5i n ALA 363 N -0.01 -0.74 -3.01 2.24 0.00 -0.49 -1.31 120.51 117.18 1y5i n ALA 363 Ca 0.03 0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.41 1y5i n ALA 363 Cb 0.28 -1.53 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 1y5i n ALA 363 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y5i n LEU 364 N -2.77 -1.17 -0.09 0.00 4.77 -1.26 0.22 117.00 116.70 1y5i n LEU 364 Ca -0.15 -0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 55.70 1y5i n LEU 364 Cb 0.61 -1.94 -0.00 0.00 -2.33 0.00 0.00 43.42 39.75 1y5i n LEU 364 CO 0.18 0.05 -0.01 0.61 -1.33 0.00 0.00 177.39 176.88 1y5i n GLY 365 N -0.96 0.46 3.50 -0.72 0.00 -0.43 -4.64 105.19 102.40 1y5i n GLY 365 Ca -0.05 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1y5i n GLY 365 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y5i s GLN 366 N -0.93 3.22 -0.06 1.61 1.11 0.13 -4.91 119.66 119.84 1y5i s GLN 366 Ca 0.00 -0.56 0.20 0.00 0.01 0.00 0.00 55.36 55.01 1y5i s GLN 366 Cb 0.00 -3.94 -0.26 0.00 -1.01 0.00 0.00 33.01 27.80 1y5i s GLN 366 CO 0.00 -0.89 0.44 -0.85 0.01 0.00 0.00 175.29 174.00 1y5i n GLU 367 N 5.85 0.66 -3.70 2.91 -0.00 -1.26 -4.50 120.64 120.61 1y5i n GLU 367 Ca -0.05 -0.06 -0.36 0.00 -0.00 0.00 0.00 57.16 56.70 1y5i n GLU 367 Cb 0.48 -1.58 -0.08 0.00 -0.00 0.00 0.00 31.44 30.25 1y5i n GLU 367 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1y5i s ASN 368 N -5.07 6.20 -1.54 -1.84 2.47 -1.26 -4.57 114.94 109.34 1y5i s ASN 368 Ca -0.07 0.22 -0.02 0.00 0.42 0.00 0.00 52.86 53.41 1y5i s ASN 368 Cb 0.10 -2.10 0.02 0.00 -1.45 0.00 0.00 41.25 37.82 1y5i s ASN 368 CO 0.86 0.14 0.13 0.59 -3.72 0.00 0.00 177.10 175.11 1y5i n ASN 369 N 3.74 0.47 0.29 -4.21 5.03 -1.26 -4.82 115.26 114.49 1y5i n ASN 369 Ca -0.15 -1.22 0.17 0.00 0.87 0.00 0.00 54.58 54.24 1y5i n ASN 369 Cb 0.52 -1.90 0.87 0.00 -1.02 0.00 0.00 39.78 38.24 1y5i n ASN 369 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1y5i h PRO 370 N -1.74 0.00 -0.00 3.52 0.13 -1.80 -1.21 132.00 130.89 1y5i h PRO 370 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1y5i h PRO 370 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1y5i h PRO 370 CO 0.71 0.05 -0.04 -0.85 -0.23 0.00 0.00 178.00 177.64 1y5i n GLU 371 N -3.38 0.91 -0.18 0.86 0.00 -1.26 -1.08 120.64 116.51 1y5i n GLU 371 Ca -0.02 -0.22 0.09 0.00 0.00 0.00 0.00 57.16 57.01 1y5i n GLU 371 Cb 0.20 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.31 1y5i n GLU 371 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1y5i n TRP 372 N -0.85 0.29 -4.73 -1.84 7.02 -0.46 -4.87 117.44 111.99 1y5i n TRP 372 Ca 0.19 -0.93 -0.32 0.00 -1.02 0.00 0.00 57.50 55.42 1y5i n TRP 372 Cb 0.22 -0.19 -0.17 0.00 -2.42 0.00 0.00 31.31 28.76 1y5i n TRP 372 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1y5i s LYS 373 N -2.73 2.89 0.71 -0.99 1.02 -1.22 -1.26 119.74 118.16 1y5i s LYS 373 Ca 0.33 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 55.41 1y5i s LYS 373 Cb 0.28 -2.32 0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1y5i s LYS 373 CO 0.05 0.01 1.08 0.95 -0.92 0.00 0.00 175.35 176.52 1y5i s THR 374 N 0.76 3.15 0.05 2.17 -4.23 -1.26 -1.32 115.64 114.96 1y5i s THR 374 Ca -0.09 0.27 0.06 0.00 -1.18 0.00 0.00 61.69 60.75 1y5i s THR 374 Cb -0.16 -3.35 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1y5i s THR 374 CO 0.00 -0.44 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.77 1y5i s VAL 375 N -3.34 1.42 0.26 2.29 1.01 -1.20 -4.16 120.40 116.68 1y5i s VAL 375 Ca 0.58 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1y5i s VAL 375 Cb -0.11 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1y5i s VAL 375 CO 0.50 0.08 0.29 0.00 0.00 0.00 0.00 175.10 175.96 1y5i s ALA 376 N -0.87 0.94 -0.13 5.51 0.00 -0.47 -0.24 121.76 126.50 1y5i s ALA 376 Ca 0.05 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 1y5i s ALA 376 Cb -0.09 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.30 1y5i s ALA 376 CO 0.02 -0.69 0.07 -0.06 0.00 0.00 0.00 175.76 175.10 1y5i s PHE 377 N -3.82 3.34 0.83 0.00 0.40 -1.26 -0.37 117.98 117.10 1y5i s PHE 377 Ca 0.35 0.28 -0.11 0.00 -0.60 0.00 0.00 56.93 56.85 1y5i s PHE 377 Cb 0.03 -1.93 0.13 0.00 0.51 0.00 0.00 43.02 41.76 1y5i s PHE 377 CO 0.16 0.47 1.17 0.54 0.70 0.00 0.00 175.22 178.26 1y5i s ASN 378 N -0.55 4.03 0.00 1.36 2.20 0.82 -0.41 114.94 122.39 1y5i s ASN 378 Ca 0.11 0.36 0.13 0.00 -0.94 0.00 0.00 52.86 52.52 1y5i s ASN 378 Cb -0.12 -0.71 0.73 0.00 -2.00 0.00 0.00 41.25 39.16 1y5i s ASN 378 CO 0.02 -2.14 1.23 0.35 -2.94 0.00 0.00 177.10 173.62 1y5i n THR 379 N -3.33 0.19 -1.18 0.54 -2.24 0.44 -1.94 114.28 106.76 1y5i n THR 379 Ca 0.12 0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.92 1y5i n THR 379 Cb 0.60 -0.84 0.25 0.00 -2.10 0.00 0.00 70.33 68.23 1y5i n THR 379 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1y5i n ASN 380 N -1.08 3.67 0.00 3.42 3.02 -1.26 -4.94 115.26 118.09 1y5i n ASN 380 Ca 0.09 -3.38 0.00 0.00 -0.03 0.00 0.00 54.58 51.26 1y5i n ASN 380 Cb 0.06 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 1y5i n ASN 380 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y5i n GLY 381 N -0.68 0.29 3.85 7.41 0.00 -0.82 -4.99 105.19 110.25 1y5i n GLY 381 Ca 0.34 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 1y5i n GLY 381 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y5i s GLU 382 N -0.93 3.91 0.26 1.61 2.02 -1.26 -4.83 118.70 119.49 1y5i s GLU 382 Ca 0.00 0.39 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 1y5i s GLU 382 Cb 0.00 -3.03 -0.09 0.00 0.10 0.00 0.00 34.13 31.10 1y5i s GLU 382 CO 0.00 0.56 1.01 1.41 0.02 0.00 0.00 175.26 178.26 1y5i s MET 383 N -1.71 4.75 0.04 1.61 -2.45 -1.26 -0.13 119.30 120.16 1y5i s MET 383 Ca 0.33 1.62 -0.13 0.00 -1.25 0.00 0.00 55.69 56.27 1y5i s MET 383 Cb -0.15 -3.22 0.02 0.00 1.25 0.00 0.00 34.83 32.72 1y5i s MET 383 CO 0.18 0.38 0.27 0.54 1.05 0.00 0.00 175.02 177.44 1y5i s VAL 384 N -1.19 0.09 -0.55 10.11 0.11 0.50 -4.89 120.40 124.57 1y5i s VAL 384 Ca 0.43 -0.72 -0.06 0.00 -2.93 0.00 0.00 61.98 58.70 1y5i s VAL 384 Cb -0.28 -0.90 0.14 0.00 -1.53 0.00 0.00 36.38 33.81 1y5i s VAL 384 CO 0.36 -0.40 0.40 0.00 -3.33 0.00 0.00 175.10 172.13 1y5i s ALA 385 N -2.44 3.49 0.56 1.54 0.00 -1.26 -1.37 121.76 122.28 1y5i s ALA 385 Ca -0.06 -2.90 -0.19 0.00 0.00 0.00 0.00 51.96 48.81 1y5i s ALA 385 Cb -0.01 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1y5i s ALA 385 CO -0.03 -2.00 1.17 -1.25 0.00 0.00 0.00 175.76 173.65 1y5i s PRO 386 N 0.64 3.19 0.82 0.00 0.04 -1.26 -0.04 135.00 138.40 1y5i s PRO 386 Ca 0.12 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 1y5i s PRO 386 Cb -0.21 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1y5i s PRO 386 CO -0.03 -1.00 0.36 0.09 0.04 0.00 0.00 177.00 176.45 1y5i n ASN 387 N -1.40 -1.97 0.00 6.66 4.13 -0.71 -3.96 115.26 118.01 1y5i n ASN 387 Ca 0.12 0.47 0.00 0.00 1.68 0.00 0.00 54.58 56.85 1y5i n ASN 387 Cb 0.50 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 37.58 1y5i n ASN 387 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1y5i n GLY 388 N 1.77 2.61 3.73 7.41 0.00 -0.65 -4.74 105.19 115.32 1y5i n GLY 388 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1y5i n GLY 388 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y5i s SER 389 N -1.47 4.22 0.58 1.61 1.04 -1.22 -3.59 113.70 114.87 1y5i s SER 389 Ca 0.00 2.15 0.28 0.00 0.48 0.00 0.00 55.95 58.87 1y5i s SER 389 Cb 0.00 -2.57 1.51 0.00 0.10 0.00 0.00 66.02 65.06 1y5i s SER 389 CO 0.00 -2.24 1.97 -0.29 0.98 0.00 0.00 173.24 173.66 1y5i h ILE 390 N -0.65 0.47 -0.10 -1.02 6.09 -1.07 -1.36 117.51 119.89 1y5i h ILE 390 Ca -0.46 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.02 1y5i h ILE 390 Cb 1.27 0.70 -0.01 0.00 0.47 0.00 0.00 36.82 39.25 1y5i h ILE 390 CO 0.49 0.00 -0.01 1.23 -3.07 0.00 0.00 178.15 176.79 1y5i h GLY 391 N 0.00 0.14 1.24 8.18 0.00 -1.43 -1.65 103.07 109.55 1y5i h GLY 391 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1y5i h GLY 391 CO -0.00 0.06 0.00 0.69 0.00 0.00 0.00 176.54 177.29 1y5i n PHE 392 N -4.44 0.00 0.10 5.60 3.01 -0.51 -3.79 117.46 117.43 1y5i n PHE 392 Ca -0.01 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.26 1y5i n PHE 392 Cb 0.14 -0.12 -0.15 0.00 -0.01 0.00 0.00 39.48 39.35 1y5i n PHE 392 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1y5i h ARG 393 N 0.00 0.33 -6.73 -1.08 2.43 -1.43 -3.35 114.38 104.56 1y5i h ARG 393 Ca 0.00 -0.57 -0.69 0.00 -0.81 0.00 0.00 59.98 57.91 1y5i h ARG 393 Cb 0.12 0.21 -0.22 0.00 -0.42 0.00 0.00 29.97 29.66 1y5i h ARG 393 CO 0.00 1.25 -0.83 -1.58 -1.51 0.00 0.00 179.97 177.29 1y5i s TRP 394 N -2.63 2.45 0.00 2.20 0.52 -1.25 -4.69 118.94 115.54 1y5i s TRP 394 Ca -0.07 -0.32 0.00 0.00 0.02 0.00 0.00 56.10 55.73 1y5i s TRP 394 Cb 0.06 -1.36 0.00 0.00 -1.15 0.00 0.00 33.47 31.02 1y5i s TRP 394 CO 0.89 0.29 0.00 0.41 0.02 0.00 0.00 176.95 178.56 1y5i n GLY 395 N 1.21 1.98 3.72 0.98 0.00 -1.26 -4.88 105.19 106.94 1y5i n GLY 395 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1y5i n GLY 395 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1y5i s GLU 396 N -0.02 2.16 0.07 1.61 -1.05 -1.26 -5.04 118.70 115.17 1y5i s GLU 396 Ca 0.00 -1.53 -0.12 0.00 -0.15 0.00 0.00 54.97 53.17 1y5i s GLU 396 Cb 0.00 0.58 0.01 0.00 -0.44 0.00 0.00 34.13 34.28 1y5i s GLU 396 CO 0.00 -0.98 0.28 0.15 0.95 0.00 0.00 175.26 175.65 1y5i s LYS 397 N -2.49 0.86 0.00 -4.83 -0.14 -1.26 -4.79 119.74 107.08 1y5i s LYS 397 Ca 0.19 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 54.11 1y5i s LYS 397 Cb -0.04 0.36 0.00 0.00 -1.68 0.00 0.00 37.83 36.47 1y5i s LYS 397 CO 0.14 -0.28 0.00 0.41 -0.76 0.00 0.00 175.35 174.85 1y5i n GLY 398 N 0.25 1.21 0.00 -3.33 0.00 -0.95 -4.88 105.19 97.48 1y5i n GLY 398 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1y5i n GLY 398 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y5i n LYS 399 N -2.00 -0.35 -2.51 1.61 5.02 -1.23 -4.30 118.16 114.40 1y5i n LYS 399 Ca 0.00 -0.43 -0.43 0.00 -2.02 0.00 0.00 58.31 55.43 1y5i n LYS 399 Cb 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1y5i n LYS 399 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1y5i n TRP 400 N -0.07 4.45 -3.99 2.13 -0.00 -1.15 -1.63 117.44 117.17 1y5i n TRP 400 Ca 0.00 -2.97 -0.09 0.00 -0.00 0.00 0.00 57.50 54.44 1y5i n TRP 400 Cb 0.02 -2.49 -0.05 0.00 -0.00 0.00 0.00 31.31 28.79 1y5i n TRP 400 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1y5i s ASN 401 N 3.56 -0.02 -0.38 5.87 2.20 -1.26 -3.96 114.94 120.94 1y5i s ASN 401 Ca 0.50 -0.96 0.07 0.00 -0.94 0.00 0.00 52.86 51.53 1y5i s ASN 401 Cb 0.04 0.61 0.67 0.00 -2.00 0.00 0.00 41.25 40.57 1y5i s ASN 401 CO 0.03 -1.19 1.80 0.18 -2.94 0.00 0.00 177.10 174.98 1y5i n LEU 402 N -0.41 6.04 -4.75 3.54 4.32 0.86 -1.95 117.00 124.66 1y5i n LEU 402 Ca -0.02 -3.49 -0.41 0.00 -0.02 0.00 0.00 56.01 52.07 1y5i n LEU 402 Cb 0.62 -0.77 -0.03 0.00 -1.62 0.00 0.00 43.42 41.62 1y5i n LEU 402 CO 0.23 0.99 0.95 -1.61 -1.22 0.00 0.00 177.39 176.73 1y5i s GLU 403 N -3.18 4.42 -1.19 3.23 2.02 -1.26 -4.88 118.70 117.87 1y5i s GLU 403 Ca 0.54 2.03 -0.20 0.00 0.02 0.00 0.00 54.97 57.36 1y5i s GLU 403 Cb 0.45 -3.18 0.03 0.00 0.10 0.00 0.00 34.13 31.53 1y5i s GLU 403 CO 0.10 -0.16 1.73 -0.65 0.02 0.00 0.00 175.26 176.30 1y5i s GLN 404 N -0.61 3.51 0.14 1.61 -1.52 -1.26 -4.47 119.66 117.06 1y5i s GLN 404 Ca 0.53 -1.54 0.04 0.00 -1.95 0.00 0.00 55.36 52.45 1y5i s GLN 404 Cb -0.36 -5.41 -0.04 0.00 -0.22 0.00 0.00 33.01 26.97 1y5i s GLN 404 CO 0.41 -2.67 -0.10 1.03 -0.25 0.00 0.00 175.29 173.71 1y5i s ARG 405 N 5.02 1.02 -0.24 2.91 0.52 -1.26 -1.99 118.95 124.93 1y5i s ARG 405 Ca 0.56 -1.41 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 1y5i s ARG 405 Cb 0.02 -0.60 0.01 0.00 0.52 0.00 0.00 34.95 34.89 1y5i s ARG 405 CO 0.05 0.07 1.09 0.34 0.02 0.00 0.00 175.30 176.87 1y5i s ASP 406 N -3.06 7.03 0.14 0.23 2.15 0.16 -1.73 116.67 121.57 1y5i s ASP 406 Ca 0.15 1.34 0.11 0.00 0.43 0.00 0.00 52.55 54.58 1y5i s ASP 406 Cb 0.02 -2.54 0.56 0.00 -0.30 0.00 0.00 42.92 40.66 1y5i s ASP 406 CO 0.00 -0.74 1.34 0.61 -0.17 0.00 0.00 175.17 176.21 1y5i n GLY 407 N 3.52 -0.75 0.23 2.66 0.00 0.95 0.27 105.19 112.06 1y5i n GLY 407 Ca 0.12 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1y5i n GLY 407 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y5i n LYS 408 N -1.83 0.47 0.17 1.61 4.81 -1.26 -4.66 118.16 117.47 1y5i n LYS 408 Ca 0.00 0.19 0.13 0.00 -0.87 0.00 0.00 58.31 57.76 1y5i n LYS 408 Cb 0.05 -1.32 0.34 0.00 0.02 0.00 0.00 35.03 34.12 1y5i n LYS 408 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1y5i h THR 409 N -0.87 0.00 -0.09 3.15 1.35 -1.92 -3.47 112.91 111.07 1y5i h THR 409 Ca -0.17 -0.67 -0.04 0.00 -0.55 0.00 0.00 66.41 64.98 1y5i h THR 409 Cb 1.05 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1y5i h THR 409 CO -0.10 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 175.74 1y5i n GLY 410 N 1.01 0.39 3.93 5.82 0.00 0.14 -4.97 105.19 111.51 1y5i n GLY 410 Ca 0.04 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1y5i n GLY 410 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y5i s GLU 411 N -1.39 3.54 0.14 1.61 2.56 -1.25 -4.73 118.70 119.18 1y5i s GLU 411 Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 54.97 54.44 1y5i s GLU 411 Cb 0.00 -2.71 -0.08 0.00 2.00 0.00 0.00 34.13 33.35 1y5i s GLU 411 CO 0.00 0.24 1.29 -1.21 -0.56 0.00 0.00 175.26 175.02 1y5i s GLU 412 N -3.78 4.39 0.21 4.30 2.02 -1.26 0.36 118.70 124.95 1y5i s GLU 412 Ca 0.41 1.97 0.04 0.00 0.02 0.00 0.00 54.97 57.40 1y5i s GLU 412 Cb -0.10 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 1y5i s GLU 412 CO 0.32 -0.28 -0.02 0.95 0.02 0.00 0.00 175.26 176.25 1y5i s THR 413 N 0.60 1.05 -0.14 3.63 -4.23 -0.84 -4.85 115.64 110.86 1y5i s THR 413 Ca 0.59 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1y5i s THR 413 Cb -0.34 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.27 1y5i s THR 413 CO 0.33 -0.40 -0.15 -0.70 -0.54 0.00 0.00 174.62 173.16 1y5i s GLU 414 N -3.84 2.37 0.35 3.99 2.12 -1.26 -4.61 118.70 117.81 1y5i s GLU 414 Ca 0.26 -0.60 -0.25 0.00 0.36 0.00 0.00 54.97 54.74 1y5i s GLU 414 Cb 0.05 -2.09 -0.10 0.00 0.26 0.00 0.00 34.13 32.25 1y5i s GLU 414 CO 0.07 -0.16 0.97 -0.51 -0.54 0.00 0.00 175.26 175.08 1y5i s LEU 415 N 1.27 4.27 -0.06 2.70 1.43 -1.26 -0.42 118.68 126.61 1y5i s LEU 415 Ca 0.00 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 54.85 1y5i s LEU 415 Cb -0.14 -4.09 -0.05 0.00 0.03 0.00 0.00 46.19 41.94 1y5i s LEU 415 CO -0.07 -0.17 0.29 -1.58 0.23 0.00 0.00 176.35 175.05 1y5i s GLN 416 N -2.23 3.75 -0.10 1.70 0.74 0.46 -4.67 119.66 119.30 1y5i s GLN 416 Ca 0.53 0.17 -0.04 0.00 0.05 0.00 0.00 55.36 56.07 1y5i s GLN 416 Cb -0.18 -3.22 -0.01 0.00 1.10 0.00 0.00 33.01 30.69 1y5i s GLN 416 CO 0.24 0.70 -0.08 -0.07 -0.55 0.00 0.00 175.29 175.52 1y5i h LEU 417 N 4.95 0.00 -9.68 3.68 3.38 -1.91 -3.41 115.31 112.31 1y5i h LEU 417 Ca -0.52 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.80 1y5i h LEU 417 Cb 1.22 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 1y5i h LEU 417 CO 0.61 0.51 -0.55 -0.55 0.09 0.00 0.00 178.44 178.55 1y5i s SER 418 N -5.16 5.90 0.02 -0.43 0.15 -1.26 -4.56 113.70 108.37 1y5i s SER 418 Ca -0.07 0.18 0.25 0.00 0.70 0.00 0.00 55.95 57.01 1y5i s SER 418 Cb 0.01 -1.73 0.44 0.00 -1.71 0.00 0.00 66.02 63.02 1y5i s SER 418 CO 0.10 0.24 1.37 0.18 1.20 0.00 0.00 173.24 176.33 1y5i n LEU 419 N 0.88 0.55 -4.68 3.45 4.77 -1.26 -4.89 117.00 115.81 1y5i n LEU 419 Ca -0.11 0.04 -0.47 0.00 -0.03 0.00 0.00 56.01 55.44 1y5i n LEU 419 Cb 0.52 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1y5i n LEU 419 CO 0.42 0.09 1.50 -0.11 -1.33 0.00 0.00 177.39 177.96 1y5i n LEU 420 N -1.64 3.55 0.00 2.23 7.94 -1.26 -1.32 117.00 126.49 1y5i n LEU 420 Ca 0.05 0.97 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 1y5i n LEU 420 Cb 0.36 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 42.91 1y5i n LEU 420 CO 0.36 -0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.23 1y5i n GLY 421 N 4.40 1.13 0.13 -3.96 0.00 -1.26 -4.89 105.19 100.75 1y5i n GLY 421 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1y5i n GLY 421 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y5i n SER 422 N 0.00 0.00 -4.84 1.61 3.41 -0.44 -5.14 113.62 108.22 1y5i n SER 422 Ca 0.00 -0.29 -0.32 0.00 -0.26 0.00 0.00 58.87 58.00 1y5i n SER 422 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1y5i n SER 422 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y5i s GLN 423 N 0.00 4.02 0.36 4.33 0.00 -1.08 -4.95 119.66 122.34 1y5i s GLN 423 Ca 0.00 0.80 0.19 0.00 -0.00 0.00 0.00 55.36 56.35 1y5i s GLN 423 Cb 0.00 -2.32 0.23 0.00 0.00 0.00 0.00 33.01 30.92 1y5i s GLN 423 CO 0.00 0.02 1.54 -0.44 0.00 0.00 0.00 175.29 176.40 1y5i h ASP 424 N 1.83 0.00 -5.76 12.60 3.45 -1.22 -3.48 116.42 123.83 1y5i h ASP 424 Ca -0.48 0.00 0.32 0.00 0.43 0.00 0.00 57.03 57.30 1y5i h ASP 424 Cb 1.18 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.84 1y5i h ASP 424 CO 0.63 0.27 0.83 -1.83 -1.57 0.00 0.00 179.24 177.57 1y5i s GLU 425 N -3.10 0.45 -0.14 3.56 -1.05 -1.21 -5.04 118.70 112.17 1y5i s GLU 425 Ca 0.05 -0.26 -0.04 0.00 -0.15 0.00 0.00 54.97 54.57 1y5i s GLU 425 Cb 0.07 0.15 -0.03 0.00 -0.44 0.00 0.00 34.13 33.87 1y5i s GLU 425 CO 0.71 -0.21 -0.01 0.42 0.95 0.00 0.00 175.26 177.12 1y5i s ILE 426 N -2.35 4.19 0.20 1.83 -1.09 -1.26 -1.17 121.20 121.55 1y5i s ILE 426 Ca 0.18 -0.26 0.09 0.00 -2.23 0.00 0.00 60.65 58.42 1y5i s ILE 426 Cb 0.03 -2.82 -0.05 0.00 -1.58 0.00 0.00 42.46 38.04 1y5i s ILE 426 CO -0.03 0.52 -0.17 0.00 -1.23 0.00 0.00 174.94 174.03 1y5i s ALA 427 N -0.04 2.18 -0.24 9.38 0.00 -0.03 -4.94 121.76 128.07 1y5i s ALA 427 Ca 0.03 -1.63 -0.08 0.00 0.00 0.00 0.00 51.96 50.27 1y5i s ALA 427 Cb -0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1y5i s ALA 427 CO 0.02 0.19 0.10 -1.21 0.00 0.00 0.00 175.76 174.86 1y5i s GLU 428 N -3.23 3.79 -0.11 0.00 2.02 -1.26 -0.49 118.70 119.41 1y5i s GLU 428 Ca 0.21 -0.41 0.01 0.00 0.02 0.00 0.00 54.97 54.80 1y5i s GLU 428 Cb -0.04 -3.39 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 1y5i s GLU 428 CO 0.08 -0.10 -0.14 0.08 0.02 0.00 0.00 175.26 175.20 1y5i s VAL 429 N 1.42 3.00 0.12 2.63 1.01 -0.43 0.00 120.40 128.15 1y5i s VAL 429 Ca 0.06 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 1y5i s VAL 429 Cb -0.15 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.92 1y5i s VAL 429 CO 0.05 0.54 0.66 -0.83 0.00 0.00 0.00 175.10 175.52 1y5i s GLY 430 N 0.11 2.75 -0.04 4.51 0.00 0.50 -1.22 107.32 113.94 1y5i s GLY 430 Ca -0.06 0.16 0.06 0.00 0.00 0.00 0.00 44.72 44.88 1y5i s GLY 430 CO 0.05 0.61 -0.23 -1.36 0.00 0.00 0.00 173.10 172.16 1y5i s PHE 431 N -1.18 2.16 0.48 1.90 0.40 0.33 -4.58 117.98 117.49 1y5i s PHE 431 Ca 0.33 -0.53 -0.22 0.00 -0.60 0.00 0.00 56.93 55.92 1y5i s PHE 431 Cb -0.20 -1.41 -0.08 0.00 0.51 0.00 0.00 43.02 41.84 1y5i s PHE 431 CO 0.22 -0.12 1.11 -1.25 0.70 0.00 0.00 175.22 175.88 1y5i s PRO 432 N -0.32 3.74 -0.05 0.24 0.04 -1.26 -0.55 135.00 136.83 1y5i s PRO 432 Ca 0.03 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 1y5i s PRO 432 Cb -0.11 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 32.20 1y5i s PRO 432 CO 0.01 -0.53 0.04 -0.47 0.04 0.00 0.00 177.00 176.09 1y5i s TYR 433 N -1.72 0.28 -1.16 0.56 5.04 -0.27 -4.84 117.35 115.25 1y5i s TYR 433 Ca 0.66 0.10 0.10 0.00 -2.44 0.00 0.00 57.07 55.48 1y5i s TYR 433 Cb -0.24 -0.60 0.10 0.00 0.35 0.00 0.00 41.96 41.57 1y5i s TYR 433 CO 0.28 -0.24 0.85 1.19 -1.34 0.00 0.00 175.55 176.29 1y5i n PHE 434 N 5.24 0.04 0.08 4.97 3.01 -1.26 -4.47 117.46 125.08 1y5i n PHE 434 Ca -0.04 -0.06 0.04 0.00 1.01 0.00 0.00 57.45 58.40 1y5i n PHE 434 Cb 0.50 -0.00 0.23 0.00 -0.01 0.00 0.00 39.48 40.20 1y5i n PHE 434 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y5i n GLY 435 N 0.53 -0.66 0.50 1.37 0.00 -1.26 -1.23 105.19 104.43 1y5i n GLY 435 Ca 0.06 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1y5i n GLY 435 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y5i n GLY 436 N -1.36 0.02 3.99 -0.02 0.00 -1.18 -1.15 105.19 105.49 1y5i n GLY 436 Ca -0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 1y5i n GLY 436 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y5i s ASP 437 N -2.46 4.42 0.00 1.61 1.01 -0.37 -4.77 116.67 116.11 1y5i s ASP 437 Ca 0.19 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.12 1y5i s ASP 437 Cb 0.18 -0.08 0.00 0.00 1.01 0.00 0.00 42.92 44.03 1y5i s ASP 437 CO 0.56 -1.81 0.00 0.61 0.21 0.00 0.00 175.17 174.74 1y5i n GLY 438 N -2.80 2.94 3.96 0.21 0.00 -1.26 -4.82 105.19 103.42 1y5i n GLY 438 Ca 0.14 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 1y5i n GLY 438 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y5i s THR 439 N -2.12 2.10 -0.57 2.61 -4.23 -1.26 -4.95 115.64 107.23 1y5i s THR 439 Ca 0.00 -0.31 0.21 0.00 -1.18 0.00 0.00 61.69 60.41 1y5i s THR 439 Cb 0.00 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.26 1y5i s THR 439 CO 0.00 0.00 1.63 -1.84 -0.54 0.00 0.00 174.62 173.87 1y5i n GLU 440 N -3.22 0.15 0.00 3.99 0.00 -1.26 -3.02 120.64 117.27 1y5i n GLU 440 Ca 0.14 0.42 0.14 0.00 0.00 0.00 0.00 57.16 57.86 1y5i n GLU 440 Cb 0.60 -1.80 0.59 0.00 0.00 0.00 0.00 31.44 30.84 1y5i n GLU 440 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1y5i n HIS 441 N -2.08 0.00 -4.39 -1.84 8.25 -1.26 -4.83 115.22 109.08 1y5i n HIS 441 Ca 0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.27 1y5i n HIS 441 Cb 0.19 -0.25 -0.13 0.00 1.12 0.00 0.00 29.99 30.92 1y5i n HIS 441 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1y5i s PHE 442 N -2.62 1.34 0.40 4.41 0.40 -1.17 -5.13 117.98 115.61 1y5i s PHE 442 Ca 0.25 -0.37 -0.25 0.00 -0.60 0.00 0.00 56.93 55.96 1y5i s PHE 442 Cb 0.20 -0.79 -0.09 0.00 0.51 0.00 0.00 43.02 42.85 1y5i s PHE 442 CO 0.51 0.05 1.13 -0.80 0.70 0.00 0.00 175.22 176.80 1y5i s ASN 443 N -1.21 6.62 0.16 1.36 0.01 -1.26 -4.75 114.94 115.87 1y5i s ASN 443 Ca 0.02 2.24 0.07 0.00 -0.71 0.00 0.00 52.86 54.49 1y5i s ASN 443 Cb -0.08 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 1y5i s ASN 443 CO 0.01 -0.60 -0.16 -0.54 -1.51 0.00 0.00 177.10 174.30 1y5i s LYS 444 N -2.33 1.22 -0.21 -0.60 1.02 -1.26 -4.75 119.74 112.82 1y5i s LYS 444 Ca 0.57 -1.42 -0.00 0.00 0.02 0.00 0.00 55.97 55.14 1y5i s LYS 444 Cb -0.28 -1.14 0.06 0.00 -0.52 0.00 0.00 37.83 35.95 1y5i s LYS 444 CO 0.35 0.21 -0.03 0.08 -0.92 0.00 0.00 175.35 175.04 1y5i s VAL 445 N -2.39 1.21 -0.10 3.17 1.01 -0.30 -4.93 120.40 118.08 1y5i s VAL 445 Ca 0.16 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1y5i s VAL 445 Cb -0.04 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1y5i s VAL 445 CO 0.06 -0.10 1.25 -0.70 0.00 0.00 0.00 175.10 175.61 1y5i s GLU 446 N 1.55 4.29 0.00 2.72 2.56 -1.26 -3.12 118.70 125.43 1y5i s GLU 446 Ca -0.04 1.70 0.00 0.00 0.00 0.00 0.00 54.97 56.63 1y5i s GLU 446 Cb -0.18 -3.66 0.00 0.00 2.00 0.00 0.00 34.13 32.30 1y5i s GLU 446 CO -0.07 -0.57 0.00 1.28 -0.56 0.00 0.00 175.26 175.34 1y5i n LEU 447 N 5.85 0.00 -3.89 2.70 4.77 -1.26 -5.04 117.00 120.13 1y5i n LEU 447 Ca 0.12 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 1y5i n LEU 447 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1y5i n LEU 447 CO 0.56 0.00 -0.20 -1.61 -1.33 0.00 0.00 177.39 174.81 1y5i s GLU 448 N 1.62 0.48 0.42 3.23 0.41 -1.26 -5.04 118.70 118.56 1y5i s GLU 448 Ca 0.00 -0.48 0.10 0.00 -0.41 0.00 0.00 54.97 54.18 1y5i s GLU 448 Cb 0.00 0.19 0.90 0.00 -1.78 0.00 0.00 34.13 33.44 1y5i s GLU 448 CO 0.00 -0.11 1.99 -0.91 -0.49 0.00 0.00 175.26 175.74 1y5i h ASN 449 N 4.23 0.23 -3.18 -0.19 2.35 -1.94 -3.39 115.58 113.69 1y5i h ASN 449 Ca -0.31 -0.03 -0.62 0.00 -0.55 0.00 0.00 56.30 54.78 1y5i h ASN 449 Cb 1.19 -0.06 -0.35 0.00 0.05 0.00 0.00 38.32 39.16 1y5i h ASN 449 CO 0.42 0.30 -0.85 -0.69 -1.65 0.00 0.00 177.43 174.96 1y5i s VAL 450 N -4.96 1.74 -0.26 2.81 1.01 -1.26 -1.11 120.40 118.36 1y5i s VAL 450 Ca -0.06 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1y5i s VAL 450 Cb 0.16 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1y5i s VAL 450 CO 0.72 0.49 0.10 -0.76 0.00 0.00 0.00 175.10 175.65 1y5i s LEU 451 N 1.11 3.65 -0.05 3.92 1.43 0.28 -4.85 118.68 124.17 1y5i s LEU 451 Ca -0.02 -0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 1y5i s LEU 451 Cb -0.14 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1y5i s LEU 451 CO -0.05 -0.06 0.75 -0.76 0.23 0.00 0.00 176.35 176.45 1y5i s LEU 452 N 1.64 4.33 0.11 1.79 1.02 -1.26 -0.51 118.68 125.80 1y5i s LEU 452 Ca 0.06 1.28 0.08 0.00 0.02 0.00 0.00 54.13 55.57 1y5i s LEU 452 Cb -0.16 -3.17 -0.04 0.00 0.02 0.00 0.00 46.19 42.84 1y5i s LEU 452 CO 0.05 -0.14 -0.19 -1.00 0.02 0.00 0.00 176.35 175.09 1y5i s HIS 453 N 0.80 1.69 -0.29 0.29 3.76 -0.36 -4.52 115.29 116.66 1y5i s HIS 453 Ca 0.40 -0.44 -0.20 0.00 -0.15 0.00 0.00 55.06 54.67 1y5i s HIS 453 Cb -0.18 -0.91 -0.01 0.00 1.11 0.00 0.00 32.58 32.58 1y5i s HIS 453 CO 0.20 0.20 0.63 0.15 -0.85 0.00 0.00 174.74 175.07 1y5i s LYS 454 N -2.04 3.98 -0.03 1.40 1.02 -1.26 -1.31 119.74 121.49 1y5i s LYS 454 Ca 0.07 0.39 0.06 0.00 0.02 0.00 0.00 55.97 56.51 1y5i s LYS 454 Cb -0.09 -3.70 -0.02 0.00 -0.52 0.00 0.00 37.83 33.49 1y5i s LYS 454 CO 0.04 -0.52 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.25 1y5i s LEU 455 N 2.58 2.43 -0.03 3.17 2.01 0.36 -4.95 118.68 124.25 1y5i s LEU 455 Ca 0.26 -0.33 -0.30 0.00 0.01 0.00 0.00 54.13 53.76 1y5i s LEU 455 Cb -0.15 -1.46 -0.02 0.00 0.01 0.00 0.00 46.19 44.57 1y5i s LEU 455 CO 0.11 0.33 1.00 -2.16 1.01 0.00 0.00 176.35 176.63 1y5i s PRO 456 N -0.74 4.51 0.39 1.29 0.04 -1.26 -0.85 135.00 138.38 1y5i s PRO 456 Ca 0.11 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.61 1y5i s PRO 456 Cb -0.10 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 1y5i s PRO 456 CO 0.00 -0.15 0.07 0.14 0.04 0.00 0.00 177.00 177.10 1y5i s VAL 457 N 1.37 1.01 -0.01 -0.36 -7.23 -0.32 -4.65 120.40 110.22 1y5i s VAL 457 Ca 0.51 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1y5i s VAL 457 Cb -0.20 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1y5i s VAL 457 CO 0.25 0.00 0.03 -0.54 -0.31 0.00 0.00 175.10 174.52 1y5i s LYS 458 N -3.81 0.07 -0.07 4.82 1.02 -0.95 -0.59 119.74 120.24 1y5i s LYS 458 Ca 0.27 -0.04 -0.15 0.00 0.02 0.00 0.00 55.97 56.07 1y5i s LYS 458 Cb 0.05 0.03 -0.05 0.00 -0.52 0.00 0.00 37.83 37.34 1y5i s LYS 458 CO 0.13 -0.01 0.38 0.50 -0.92 0.00 0.00 175.35 175.43 1y5i s ARG 459 N -0.18 4.06 0.11 1.68 3.52 -1.26 -1.47 118.95 125.42 1y5i s ARG 459 Ca -0.02 0.31 0.10 0.00 -0.13 0.00 0.00 55.73 55.99 1y5i s ARG 459 Cb -0.01 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1y5i s ARG 459 CO -0.00 0.47 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.21 1y5i s LEU 460 N -0.34 2.31 -0.37 -0.88 1.43 0.15 -4.95 118.68 116.01 1y5i s LEU 460 Ca 0.22 -0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 1y5i s LEU 460 Cb -0.15 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.01 1y5i s LEU 460 CO 0.10 0.12 0.37 -1.10 0.23 0.00 0.00 176.35 176.08 1y5i s GLN 461 N -1.96 3.35 0.78 1.70 -1.52 -1.26 -0.80 119.66 119.93 1y5i s GLN 461 Ca 0.10 -0.60 -0.11 0.00 -1.95 0.00 0.00 55.36 52.80 1y5i s GLN 461 Cb -0.10 -3.88 0.07 0.00 -0.22 0.00 0.00 33.01 28.89 1y5i s GLN 461 CO 0.05 -0.65 1.14 -0.51 -0.25 0.00 0.00 175.29 175.06 1y5i s LEU 462 N 2.01 2.60 0.39 2.90 1.43 -0.41 -4.50 118.68 123.10 1y5i s LEU 462 Ca 0.11 0.73 0.17 0.00 -1.03 0.00 0.00 54.13 54.11 1y5i s LEU 462 Cb -0.17 -3.28 0.82 0.00 0.03 0.00 0.00 46.19 43.59 1y5i s LEU 462 CO 0.12 -1.80 1.83 0.00 0.23 0.00 0.00 176.35 176.73 1y5i h ALA 463 N -0.92 1.22 -0.18 4.21 0.00 -0.82 -2.55 119.26 120.22 1y5i h ALA 463 Ca -0.46 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1y5i h ALA 463 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1y5i h ALA 463 CO 0.65 0.43 0.00 -0.40 0.00 0.00 0.00 179.25 179.92 1y5i n ASP 464 N -3.82 1.01 0.00 0.00 3.85 -1.26 -4.88 116.55 111.45 1y5i n ASP 464 Ca -0.01 -1.93 0.00 0.00 -0.71 0.00 0.00 54.79 52.14 1y5i n ASP 464 Cb 0.42 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 1y5i n ASP 464 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y5i n GLY 465 N 0.84 3.05 3.59 6.12 0.00 -0.96 -5.04 105.19 112.79 1y5i n GLY 465 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1y5i n GLY 465 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y5i s SER 466 N -0.13 1.04 0.23 1.61 1.04 -1.26 -4.71 113.70 111.52 1y5i s SER 466 Ca 0.00 0.73 0.11 0.00 0.48 0.00 0.00 55.95 57.27 1y5i s SER 466 Cb 0.00 -1.05 -0.05 0.00 0.10 0.00 0.00 66.02 65.02 1y5i s SER 466 CO 0.00 -4.06 -0.20 0.28 0.98 0.00 0.00 173.24 170.24 1y5i s THR 467 N -2.95 2.24 -0.02 2.02 -1.32 -1.26 -1.29 115.64 113.05 1y5i s THR 467 Ca 0.70 -2.20 -0.23 0.00 -1.21 0.00 0.00 61.69 58.75 1y5i s THR 467 Cb -0.11 -2.14 0.05 0.00 -1.51 0.00 0.00 72.50 68.78 1y5i s THR 467 CO 0.57 -0.33 0.51 0.00 -2.21 0.00 0.00 174.62 173.15 1y5i s ALA 468 N -2.26 -1.30 -0.07 11.08 0.00 0.02 -4.91 121.76 124.31 1y5i s ALA 468 Ca 0.24 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 1y5i s ALA 468 Cb -0.05 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1y5i s ALA 468 CO 0.11 -0.34 0.28 -0.51 0.00 0.00 0.00 175.76 175.30 1y5i s LEU 469 N -1.34 4.41 0.10 0.00 1.43 -1.26 0.29 118.68 122.30 1y5i s LEU 469 Ca -0.11 0.69 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 1y5i s LEU 469 Cb -0.02 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 1y5i s LEU 469 CO 0.06 0.33 -0.11 0.68 0.23 0.00 0.00 176.35 177.54 1y5i s VAL 470 N -0.84 0.99 0.22 -1.59 -7.23 -0.54 -0.72 120.40 110.69 1y5i s VAL 470 Ca 0.19 -1.59 -0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1y5i s VAL 470 Cb -0.14 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1y5i s VAL 470 CO 0.08 -0.50 0.21 0.28 -0.31 0.00 0.00 175.10 174.86 1y5i s THR 471 N -2.23 0.00 0.38 5.32 -1.32 -0.27 -2.23 115.64 115.28 1y5i s THR 471 Ca 0.04 -1.88 -0.00 0.00 -1.21 0.00 0.00 61.69 58.64 1y5i s THR 471 Cb -0.04 -2.44 -0.03 0.00 -1.51 0.00 0.00 72.50 68.47 1y5i s THR 471 CO 0.01 0.00 0.59 0.42 -2.21 0.00 0.00 174.62 173.43 1y5i s THR 472 N -4.08 5.01 0.31 5.08 -4.23 -1.26 0.76 115.64 117.22 1y5i s THR 472 Ca 0.36 -0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1y5i s THR 472 Cb 0.05 -3.84 0.25 0.00 1.34 0.00 0.00 72.50 70.30 1y5i s THR 472 CO 0.12 -0.59 1.96 0.58 -0.54 0.00 0.00 174.62 176.15 1y5i h VAL 473 N 0.64 1.20 -0.30 2.29 2.07 -0.22 -2.01 116.25 119.92 1y5i h VAL 473 Ca -0.49 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1y5i h VAL 473 Cb 1.22 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1y5i h VAL 473 CO 0.61 0.21 0.09 0.22 0.02 0.00 0.00 177.57 178.72 1y5i h TYR 474 N 1.01 0.16 -0.45 1.57 3.20 -1.01 0.12 116.97 121.57 1y5i h TYR 474 Ca 0.27 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 1y5i h TYR 474 Cb -0.06 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1y5i h TYR 474 CO 0.00 0.06 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.12 1y5i h ASP 475 N 0.21 0.81 -0.92 -2.11 3.32 -1.68 -1.83 116.42 114.21 1y5i h ASP 475 Ca 0.14 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 56.89 1y5i h ASP 475 Cb 0.12 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1y5i h ASP 475 CO -0.16 0.93 0.60 -0.07 -1.72 0.00 0.00 179.24 178.83 1y5i h LEU 476 N 0.66 1.02 -0.11 1.55 4.07 -1.08 -1.93 115.31 119.49 1y5i h LEU 476 Ca 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1y5i h LEU 476 Cb 0.53 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.03 1y5i h LEU 476 CO 0.03 0.71 0.02 0.74 -1.08 0.00 0.00 178.44 178.86 1y5i h THR 477 N 1.19 1.21 -0.47 0.22 2.02 -0.44 0.09 112.91 116.73 1y5i h THR 477 Ca 0.36 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1y5i h THR 477 Cb -0.05 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1y5i h THR 477 CO -0.10 0.19 0.29 -0.07 0.37 0.00 0.00 175.52 176.20 1y5i h LEU 478 N -0.04 0.55 -0.14 2.58 4.07 -1.08 -1.19 115.31 120.05 1y5i h LEU 478 Ca 0.03 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.90 1y5i h LEU 478 Cb 0.28 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 1y5i h LEU 478 CO 0.00 0.42 -0.20 0.00 -1.08 0.00 0.00 178.44 177.58 1y5i h ALA 479 N 1.68 0.21 -0.69 1.53 0.00 -1.17 -0.97 119.26 119.85 1y5i h ALA 479 Ca 0.17 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1y5i h ALA 479 Cb -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1y5i h ALA 479 CO -0.03 0.15 0.46 -0.97 0.00 0.00 0.00 179.25 178.85 1y5i h ASN 480 N -0.01 0.59 0.88 0.00 -1.24 -0.45 0.22 115.58 115.57 1y5i h ASN 480 Ca 0.01 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1y5i h ASN 480 Cb 0.76 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.69 1y5i h ASN 480 CO 0.05 0.37 0.00 -1.22 -1.29 0.00 0.00 177.43 175.34 1y5i n TYR 481 N -4.48 0.00 -1.89 0.67 4.02 -0.50 -4.62 117.16 110.36 1y5i n TYR 481 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1y5i n TYR 481 Cb 0.27 -0.50 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 1y5i n TYR 481 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y5i n GLY 482 N 1.15 0.58 3.59 2.72 0.00 0.79 -3.16 105.19 110.87 1y5i n GLY 482 Ca 0.06 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1y5i n GLY 482 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y5i s LEU 483 N -0.14 4.10 0.09 0.99 2.01 -0.40 -1.23 118.68 124.10 1y5i s LEU 483 Ca 0.00 0.44 -0.31 0.00 0.01 0.00 0.00 54.13 54.27 1y5i s LEU 483 Cb 0.00 -3.08 -0.08 0.00 0.01 0.00 0.00 46.19 43.03 1y5i s LEU 483 CO 0.00 -0.74 1.57 -0.70 1.01 0.00 0.00 176.35 177.49 1y5i s GLU 484 N 3.16 4.23 -0.07 1.70 2.56 -1.26 -4.69 118.70 124.33 1y5i s GLU 484 Ca 0.33 2.27 0.11 0.00 0.00 0.00 0.00 54.97 57.67 1y5i s GLU 484 Cb -0.13 -3.43 0.23 0.00 2.00 0.00 0.00 34.13 32.80 1y5i s GLU 484 CO 0.17 -0.65 1.16 0.54 -0.56 0.00 0.00 175.26 175.92 1y5i n ARG 485 N 4.94 2.42 0.00 4.30 1.74 -1.26 -4.97 116.66 123.84 1y5i n ARG 485 Ca 0.14 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 55.07 1y5i n ARG 485 Cb 0.40 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1y5i n ARG 485 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y5i n GLY 486 N -0.62 0.40 0.49 -0.13 0.00 -1.26 -4.93 105.19 99.13 1y5i n GLY 486 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1y5i n GLY 486 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y5i n LEU 487 N 0.00 1.49 -3.35 0.99 4.32 -1.26 -4.95 117.00 114.24 1y5i n LEU 487 Ca 0.00 -0.56 -0.15 0.00 -0.02 0.00 0.00 56.01 55.28 1y5i n LEU 487 Cb 0.00 -0.05 0.03 0.00 -1.62 0.00 0.00 43.42 41.78 1y5i n LEU 487 CO 0.00 0.28 0.09 0.59 -1.22 0.00 0.00 177.39 177.13 1y5i n ASN 488 N 0.18 -6.54 -4.59 -1.43 3.02 -1.26 -4.95 115.26 99.69 1y5i n ASN 488 Ca 0.18 -0.58 -0.41 0.00 -0.03 0.00 0.00 54.58 53.73 1y5i n ASN 488 Cb 0.33 -4.37 -0.06 0.00 -0.61 0.00 0.00 39.78 35.06 1y5i n ASN 488 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y5i s ASP 489 N -3.22 6.47 0.59 6.41 3.68 -1.26 -4.95 116.67 124.39 1y5i s ASP 489 Ca 0.24 0.31 0.35 0.00 2.13 0.00 0.00 52.55 55.58 1y5i s ASP 489 Cb -0.06 -2.33 1.84 0.00 -1.45 0.00 0.00 42.92 40.92 1y5i s ASP 489 CO 0.79 -0.54 2.19 0.58 0.13 0.00 0.00 175.17 178.33 1y5i h VAL 490 N 5.61 0.26 -0.30 1.11 2.07 -1.92 -1.93 116.25 121.14 1y5i h VAL 490 Ca -0.26 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1y5i h VAL 490 Cb 1.11 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1y5i h VAL 490 CO 0.82 0.04 0.00 0.59 0.02 0.00 0.00 177.57 179.04 1y5i n ASN 491 N -3.38 2.50 -4.94 0.57 3.02 -1.26 -4.88 115.26 106.89 1y5i n ASN 491 Ca -0.02 -1.87 -0.25 0.00 -0.03 0.00 0.00 54.58 52.41 1y5i n ASN 491 Cb 0.17 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 1y5i n ASN 491 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y5i s ALA 493 N -1.98 3.25 -0.67 0.00 0.00 -0.37 -4.88 121.76 117.11 1y5i s ALA 493 Ca 0.38 0.50 0.23 0.00 0.00 0.00 0.00 51.96 53.07 1y5i s ALA 493 Cb -0.10 -3.15 0.10 0.00 0.00 0.00 0.00 23.12 19.97 1y5i s ALA 493 CO 0.30 0.20 1.08 0.25 0.00 0.00 0.00 175.76 177.59 1y5i n THR 494 N 0.74 0.16 -3.76 0.00 -2.24 -1.26 -4.20 114.28 103.72 1y5i n THR 494 Ca 0.01 -0.21 -0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1y5i n THR 494 Cb 0.50 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1y5i n THR 494 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1y5i s SER 495 N -3.81 -0.06 0.54 3.42 1.04 -1.26 -4.99 113.70 108.58 1y5i s SER 495 Ca 0.05 -0.31 0.32 0.00 0.48 0.00 0.00 55.95 56.48 1y5i s SER 495 Cb 0.15 0.30 1.49 0.00 0.10 0.00 0.00 66.02 68.06 1y5i s SER 495 CO 0.79 -0.58 2.05 1.88 0.98 0.00 0.00 173.24 178.36 1y5i h TYR 496 N 2.00 0.00 0.00 5.02 0.99 -2.00 -2.27 116.97 120.70 1y5i h TYR 496 Ca -0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.46 1y5i h TYR 496 Cb 1.21 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.94 1y5i h TYR 496 CO 0.70 0.07 -0.17 -0.25 -0.00 0.00 0.00 178.16 178.51 1y5i n ASP 497 N -3.30 0.51 -4.67 3.88 8.00 -1.26 -1.81 116.55 117.91 1y5i n ASP 497 Ca -0.01 0.38 -0.43 0.00 0.71 0.00 0.00 54.79 55.44 1y5i n ASP 497 Cb 0.27 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.93 1y5i n ASP 497 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1y5i s ASP 498 N -3.84 6.88 -1.03 -2.24 2.15 -0.86 -4.79 116.67 112.94 1y5i s ASP 498 Ca 0.11 1.87 -0.23 0.00 0.43 0.00 0.00 52.55 54.73 1y5i s ASP 498 Cb 0.15 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.24 1y5i s ASP 498 CO 0.61 -0.78 1.67 -0.69 -0.17 0.00 0.00 175.17 175.82 1y5i s VAL 499 N 3.37 3.77 0.27 1.11 1.01 -1.26 -4.51 120.40 124.17 1y5i s VAL 499 Ca 0.60 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1y5i s VAL 499 Cb -0.26 -4.72 -0.06 0.00 0.00 0.00 0.00 36.38 31.35 1y5i s VAL 499 CO 0.20 -1.58 0.04 -0.54 0.00 0.00 0.00 175.10 173.23 1y5i s LYS 500 N 5.63 1.48 -1.22 2.72 -0.14 -1.26 -4.97 119.74 121.98 1y5i s LYS 500 Ca 0.56 -1.79 -0.21 0.00 -1.36 0.00 0.00 55.97 53.17 1y5i s LYS 500 Cb -0.02 -0.63 -0.05 0.00 -1.68 0.00 0.00 37.83 35.46 1y5i s LYS 500 CO -0.03 -0.18 1.88 0.00 -0.76 0.00 0.00 175.35 176.26 1y5i n ALA 501 N -0.53 2.31 -2.66 5.17 0.00 -1.26 -2.13 120.51 121.40 1y5i n ALA 501 Ca -0.03 -3.25 -0.04 0.00 0.00 0.00 0.00 53.44 50.13 1y5i n ALA 501 Cb 0.65 -3.51 0.10 0.00 0.00 0.00 0.00 19.45 16.69 1y5i n ALA 501 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1y5i n TYR 502 N 12.72 -0.46 -3.24 0.00 4.02 -1.19 -2.91 117.16 126.10 1y5i n TYR 502 Ca 0.46 -0.72 -0.21 0.00 -0.01 0.00 0.00 57.90 57.43 1y5i n TYR 502 Cb 0.46 1.14 0.00 0.00 -0.02 0.00 0.00 39.34 40.92 1y5i n TYR 502 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1y5i s THR 503 N 0.07 4.04 0.28 -0.72 -4.23 -0.90 -4.02 115.64 110.16 1y5i s THR 503 Ca 0.23 -0.76 -0.02 0.00 -1.18 0.00 0.00 61.69 59.97 1y5i s THR 503 Cb 0.25 -3.44 0.27 0.00 1.34 0.00 0.00 72.50 70.92 1y5i s THR 503 CO -0.14 -0.24 1.91 -0.65 -0.54 0.00 0.00 174.62 174.95 1y5i h PRO 504 N 0.65 1.10 -0.59 3.99 0.11 -1.81 0.12 132.00 135.56 1y5i h PRO 504 Ca -0.46 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1y5i h PRO 504 Cb 1.25 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1y5i h PRO 504 CO 0.55 0.73 0.03 0.00 -0.21 0.00 0.00 178.00 179.10 1y5i h ALA 505 N 1.47 0.80 -0.29 -0.75 0.00 -1.64 -0.87 119.26 117.98 1y5i h ALA 505 Ca 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1y5i h ALA 505 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1y5i h ALA 505 CO -0.14 0.61 0.15 2.35 0.00 0.00 0.00 179.25 182.21 1y5i h TRP 506 N 0.93 0.41 -0.07 0.00 7.01 -1.53 -3.03 115.95 119.67 1y5i h TRP 506 Ca 0.17 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.07 1y5i h TRP 506 Cb 0.51 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1y5i h TRP 506 CO 0.04 0.36 -0.35 0.00 -2.79 0.00 0.00 178.44 175.69 1y5i h ALA 507 N 1.01 1.29 -0.98 2.65 0.00 -0.55 -2.19 119.26 120.48 1y5i h ALA 507 Ca 0.10 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1y5i h ALA 507 Cb 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1y5i h ALA 507 CO -0.01 0.50 0.65 1.49 0.00 0.00 0.00 179.25 181.88 1y5i h GLU 508 N 0.11 1.24 -0.40 0.00 4.81 -1.07 0.68 114.58 119.97 1y5i h GLU 508 Ca 0.01 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1y5i h GLU 508 Cb 0.68 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1y5i h GLU 508 CO 0.05 0.82 -0.18 1.96 -0.73 0.00 0.00 179.01 180.94 1y5i h GLN 509 N 1.28 0.82 -0.10 1.92 4.20 -1.29 0.17 115.11 122.12 1y5i h GLN 509 Ca 0.38 -0.35 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1y5i h GLN 509 Cb -0.06 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1y5i h GLN 509 CO -0.11 0.98 -0.26 0.82 -0.67 0.00 0.00 178.83 179.60 1y5i h ILE 510 N 0.63 1.40 0.00 2.54 1.08 -1.03 -3.38 117.51 118.74 1y5i h ILE 510 Ca 0.09 -1.59 -0.09 0.00 -0.39 0.00 0.00 64.86 62.88 1y5i h ILE 510 Cb 0.73 2.17 -0.02 0.00 -3.07 0.00 0.00 36.82 36.63 1y5i h ILE 510 CO 0.05 0.46 -1.76 0.35 -0.69 0.00 0.00 178.15 176.56 1y5i n THR 511 N -4.46 0.56 -0.38 -0.27 -2.24 0.23 -4.48 114.28 103.23 1y5i n THR 511 Ca -0.08 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1y5i n THR 511 Cb 0.46 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1y5i n THR 511 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y5i n GLY 512 N 1.35 1.57 3.72 3.38 0.00 0.61 -1.39 105.19 114.42 1y5i n GLY 512 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1y5i n GLY 512 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y5i s VAL 513 N -3.14 4.75 0.17 1.61 1.01 -1.26 -4.97 120.40 118.57 1y5i s VAL 513 Ca 0.00 1.99 -0.34 0.00 0.00 0.00 0.00 61.98 63.63 1y5i s VAL 513 Cb 0.00 -4.29 -0.13 0.00 0.00 0.00 0.00 36.38 31.96 1y5i s VAL 513 CO 0.00 0.24 1.61 -0.24 0.00 0.00 0.00 175.10 176.71 1y5i n SER 514 N 3.43 3.27 0.05 3.32 2.88 -1.26 -4.01 113.62 121.30 1y5i n SER 514 Ca 0.04 1.08 0.14 0.00 -1.33 0.00 0.00 58.87 58.79 1y5i n SER 514 Cb 0.50 -1.45 0.61 0.00 -0.75 0.00 0.00 64.21 63.12 1y5i n SER 514 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1y5i h ARG 515 N 6.13 0.13 0.00 -1.46 0.11 -1.94 -0.94 114.38 116.41 1y5i h ARG 515 Ca -0.45 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.55 1y5i h ARG 515 Cb 1.24 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 1y5i h ARG 515 CO 0.90 0.09 -0.36 0.66 0.10 0.00 0.00 179.97 181.36 1y5i h SER 516 N 0.14 0.00 -0.13 0.08 4.64 -1.93 -0.36 113.55 115.98 1y5i h SER 516 Ca 0.18 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.36 1y5i h SER 516 Cb 0.55 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1y5i h SER 516 CO -0.02 0.36 -0.48 1.56 -0.87 0.00 0.00 176.83 177.38 1y5i h GLN 517 N 0.00 0.56 -0.61 4.77 1.08 -1.56 -0.49 115.11 118.86 1y5i h GLN 517 Ca -0.00 -0.43 0.02 0.00 -1.45 0.00 0.00 58.65 56.79 1y5i h GLN 517 Cb 0.82 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.29 1y5i h GLN 517 CO 0.05 1.05 0.38 0.82 -0.95 0.00 0.00 178.83 180.18 1y5i h ILE 518 N 0.20 1.09 -0.15 2.54 2.04 -1.05 -1.75 117.51 120.42 1y5i h ILE 518 Ca -0.02 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 1y5i h ILE 518 Cb 1.11 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1y5i h ILE 518 CO 0.10 0.14 -0.12 0.40 0.00 0.00 0.00 178.15 178.67 1y5i h ILE 519 N 0.76 1.34 -0.56 -0.67 2.04 -1.06 -2.30 117.51 117.04 1y5i h ILE 519 Ca 0.24 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1y5i h ILE 519 Cb 0.00 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1y5i h ILE 519 CO -0.09 0.36 0.31 -0.09 0.00 0.00 0.00 178.15 178.64 1y5i h ARG 520 N -0.02 0.79 -0.13 2.37 2.43 -0.93 -1.25 114.38 117.65 1y5i h ARG 520 Ca 0.03 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 58.91 1y5i h ARG 520 Cb 0.63 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1y5i h ARG 520 CO 0.03 0.61 -0.66 0.82 -1.51 0.00 0.00 179.97 179.26 1y5i h ILE 521 N 0.76 1.32 -0.57 1.20 1.08 -1.41 -0.74 117.51 119.14 1y5i h ILE 521 Ca 0.20 -1.91 0.04 0.00 -0.39 0.00 0.00 64.86 62.80 1y5i h ILE 521 Cb 0.05 2.08 -0.04 0.00 -3.07 0.00 0.00 36.82 35.84 1y5i h ILE 521 CO -0.03 0.59 0.33 0.00 -0.69 0.00 0.00 178.15 178.35 1y5i h ALA 522 N 0.51 0.75 -0.10 1.87 0.00 -1.33 0.15 119.26 121.11 1y5i h ALA 522 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1y5i h ALA 522 Cb 1.30 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1y5i h ALA 522 CO 0.14 0.02 0.02 -0.09 0.00 0.00 0.00 179.25 179.34 1y5i h ARG 523 N 0.63 0.16 -0.61 0.00 2.43 -1.16 -1.50 114.38 114.33 1y5i h ARG 523 Ca 0.24 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1y5i h ARG 523 Cb 0.09 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1y5i h ARG 523 CO -0.13 0.35 0.40 0.93 -1.51 0.00 0.00 179.97 180.01 1y5i h GLU 524 N -0.05 0.78 -0.53 0.20 5.08 -0.80 0.35 114.58 119.61 1y5i h GLU 524 Ca 0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1y5i h GLU 524 Cb 0.26 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1y5i h GLU 524 CO 0.00 0.52 0.32 0.35 -1.00 0.00 0.00 179.01 179.20 1y5i h PHE 525 N 0.80 0.71 -0.15 4.33 3.57 -0.63 0.97 116.94 126.55 1y5i h PHE 525 Ca 0.23 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.51 1y5i h PHE 525 Cb -0.06 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.46 1y5i h PHE 525 CO -0.04 0.49 -0.75 0.00 -2.23 0.00 0.00 178.31 175.79 1y5i h ALA 526 N 1.15 0.30 -0.69 2.41 0.00 -0.92 -2.36 119.26 119.15 1y5i h ALA 526 Ca 0.19 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1y5i h ALA 526 Cb -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1y5i h ALA 526 CO -0.04 0.65 0.40 0.22 0.00 0.00 0.00 179.25 180.48 1y5i h ASP 527 N 0.50 0.85 -0.33 0.00 -0.00 -0.09 -0.37 116.42 116.98 1y5i h ASP 527 Ca -0.05 -0.08 0.01 0.00 -0.00 0.00 0.00 57.03 56.91 1y5i h ASP 527 Cb 1.38 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 40.47 1y5i h ASP 527 CO 0.15 0.68 0.21 -1.13 -0.00 0.00 0.00 179.24 179.15 1y5i h ASN 528 N 0.94 0.34 -0.37 2.28 -1.24 -0.78 -1.84 115.58 114.91 1y5i h ASN 528 Ca 0.24 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.22 1y5i h ASN 528 Cb 0.01 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1y5i h ASN 528 CO -0.04 0.25 0.12 0.00 -1.29 0.00 0.00 177.43 176.47 1y5i h ALA 529 N 1.14 1.40 -0.02 1.57 0.00 -0.91 -1.70 119.26 120.73 1y5i h ALA 529 Ca 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1y5i h ALA 529 Cb -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1y5i h ALA 529 CO -0.05 0.44 -0.00 0.22 0.00 0.00 0.00 179.25 179.86 1y5i h ASP 530 N 0.63 0.04 0.17 0.00 3.58 -0.75 0.27 116.42 120.35 1y5i h ASP 530 Ca 0.15 -0.35 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 1y5i h ASP 530 Cb 0.21 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1y5i h ASP 530 CO -0.01 0.38 -0.17 0.11 -2.88 0.00 0.00 179.24 176.68 1y5i h LYS 531 N -0.30 0.00 -0.17 0.28 1.57 -1.17 -3.06 116.57 113.72 1y5i h LYS 531 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1y5i h LYS 531 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1y5i h LYS 531 CO 0.00 0.17 0.00 0.25 -0.57 0.00 0.00 179.45 179.30 1y5i n THR 532 N -4.33 0.44 -3.40 -0.16 -2.24 -0.66 -5.00 114.28 98.93 1y5i n THR 532 Ca -0.02 -0.72 -0.17 0.00 -2.27 0.00 0.00 64.05 60.87 1y5i n THR 532 Cb 0.23 0.92 0.08 0.00 -2.10 0.00 0.00 70.33 69.46 1y5i n THR 532 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1y5i n HIS 533 N 0.62 -2.24 -0.16 4.78 8.25 0.07 -4.08 115.22 122.46 1y5i n HIS 533 Ca 0.09 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 1y5i n HIS 533 Cb 0.36 -4.74 0.00 0.00 1.12 0.00 0.00 29.99 26.73 1y5i n HIS 533 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y5i n GLY 534 N -1.20 0.91 2.61 -1.41 0.00 0.72 -4.93 105.19 101.89 1y5i n GLY 534 Ca -0.22 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1y5i n GLY 534 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y5i n ARG 535 N -2.16 2.51 -5.12 1.61 1.74 -1.26 -3.64 116.66 110.34 1y5i n ARG 535 Ca 0.00 -2.67 -0.32 0.00 -0.77 0.00 0.00 57.85 54.09 1y5i n ARG 535 Cb 0.00 -2.18 -0.15 0.00 -1.02 0.00 0.00 32.46 29.11 1y5i n ARG 535 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1y5i s SER 536 N -0.04 3.42 0.08 0.55 0.01 -1.22 -1.44 113.70 115.06 1y5i s SER 536 Ca 0.57 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 57.46 1y5i s SER 536 Cb 0.40 -0.85 -0.03 0.00 0.21 0.00 0.00 66.02 65.74 1y5i s SER 536 CO -0.28 0.27 -0.10 -0.32 0.41 0.00 0.00 173.24 173.22 1y5i s MET 537 N -0.32 0.79 -0.15 12.44 0.00 0.95 -1.96 119.30 131.06 1y5i s MET 537 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 55.69 54.64 1y5i s MET 537 Cb -0.13 -0.55 0.03 0.00 0.00 0.00 0.00 34.83 34.19 1y5i s MET 537 CO 0.02 0.09 -0.10 0.42 0.00 0.00 0.00 175.02 175.46 1y5i s ILE 538 N -2.08 1.33 -0.26 10.11 1.01 -0.69 -1.65 121.20 128.97 1y5i s ILE 538 Ca 0.02 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 1y5i s ILE 538 Cb -0.05 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1y5i s ILE 538 CO 0.00 0.34 0.38 -0.63 0.00 0.00 0.00 174.94 175.03 1y5i s ILE 539 N 1.57 5.18 0.06 2.92 1.01 -0.01 -0.74 121.20 131.19 1y5i s ILE 539 Ca 0.03 0.60 0.05 0.00 0.00 0.00 0.00 60.65 61.34 1y5i s ILE 539 Cb -0.14 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1y5i s ILE 539 CO -0.09 0.17 -0.15 0.54 0.00 0.00 0.00 174.94 175.41 1y5i s VAL 540 N 1.93 1.21 0.00 2.92 0.11 -0.41 -0.42 120.40 125.75 1y5i s VAL 540 Ca 0.16 -1.23 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 1y5i s VAL 540 Cb -0.16 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.57 1y5i s VAL 540 CO 0.09 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.36 1y5i n GLY 541 N 1.47 5.23 0.08 6.54 0.00 -1.04 -1.97 105.19 115.50 1y5i n GLY 541 Ca -0.20 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.48 1y5i n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y5i n ALA 542 N -3.00 1.12 0.12 4.61 0.00 -1.23 -1.47 120.51 120.66 1y5i n ALA 542 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.58 1y5i n ALA 542 Cb 0.00 -1.19 0.47 0.00 0.00 0.00 0.00 19.45 18.72 1y5i n ALA 542 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1y5i h GLY 543 N 0.37 0.30 0.00 0.00 0.00 -1.61 -2.39 103.07 99.73 1y5i h GLY 543 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 47.33 46.94 1y5i h GLY 543 CO 0.00 0.13 -1.93 1.04 0.00 0.00 0.00 176.54 175.78 1y5i n LEU 544 N -4.41 1.24 0.00 3.11 4.32 -0.65 -4.65 117.00 115.96 1y5i n LEU 544 Ca -0.00 -0.04 0.13 0.00 -0.02 0.00 0.00 56.01 56.08 1y5i n LEU 544 Cb 0.15 -0.06 0.68 0.00 -1.62 0.00 0.00 43.42 42.57 1y5i n LEU 544 CO 0.36 0.52 0.95 -3.20 -1.22 0.00 0.00 177.39 174.80 1y5i n ASN 545 N -2.70 0.00 -1.31 -1.43 5.15 -0.54 -3.48 115.26 110.94 1y5i n ASN 545 Ca -0.25 -0.14 0.09 0.00 -0.60 0.00 0.00 54.58 53.67 1y5i n ASN 545 Cb 0.89 -0.27 0.31 0.00 -0.53 0.00 0.00 39.78 40.17 1y5i n ASN 545 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1y5i n HIS 546 N -1.27 1.22 -3.24 1.20 8.25 -0.90 -4.79 115.22 115.69 1y5i n HIS 546 Ca 0.13 -0.64 -0.29 0.00 -0.26 0.00 0.00 57.72 56.67 1y5i n HIS 546 Cb 0.20 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1y5i n HIS 546 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1y5i s TRP 547 N -1.86 3.48 0.34 4.41 0.52 -1.23 -0.74 118.94 123.86 1y5i s TRP 547 Ca 0.45 0.72 0.03 0.00 0.02 0.00 0.00 56.10 57.31 1y5i s TRP 547 Cb 0.30 -2.17 0.63 0.00 -1.15 0.00 0.00 33.47 31.08 1y5i s TRP 547 CO 0.21 0.11 1.98 -0.92 0.02 0.00 0.00 176.95 178.35 1y5i h TYR 548 N 1.56 0.84 -0.93 -1.98 5.03 -1.92 -0.94 116.97 118.63 1y5i h TYR 548 Ca -0.48 0.02 -0.60 0.00 2.58 0.00 0.00 58.73 60.26 1y5i h TYR 548 Cb 1.19 -0.28 -0.25 0.00 1.55 0.00 0.00 36.73 38.94 1y5i h TYR 548 CO 0.58 0.50 0.77 0.72 -1.32 0.00 0.00 178.16 179.41 1y5i n HIS 549 N -4.45 2.80 -0.12 -3.82 8.25 -1.26 -4.64 115.22 111.97 1y5i n HIS 549 Ca 0.09 -2.73 0.17 0.00 -0.26 0.00 0.00 57.72 54.99 1y5i n HIS 549 Cb 0.11 -1.33 0.57 0.00 1.12 0.00 0.00 29.99 30.46 1y5i n HIS 549 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 1y5i h LEU 550 N 2.22 0.26 -1.10 2.41 -0.00 -1.40 -1.76 115.31 115.94 1y5i h LEU 550 Ca 0.53 0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 58.35 1y5i h LEU 550 Cb 0.79 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 1y5i h LEU 550 CO 1.38 0.13 -0.16 0.44 -0.00 0.00 0.00 178.44 180.24 1y5i h ASP 551 N 0.28 0.44 -0.17 0.17 3.32 -1.86 0.19 116.42 118.79 1y5i h ASP 551 Ca 0.34 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 1y5i h ASP 551 Cb 0.94 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1y5i h ASP 551 CO -0.08 0.62 -0.34 0.24 -1.72 0.00 0.00 179.24 177.96 1y5i h MET 552 N 0.42 0.53 -0.29 3.56 2.86 -1.65 0.18 114.93 120.54 1y5i h MET 552 Ca 0.07 -0.34 0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1y5i h MET 552 Cb 0.52 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 1y5i h MET 552 CO 0.03 0.95 -0.10 -0.91 1.06 0.00 0.00 176.91 177.94 1y5i h ASN 553 N 0.17 -0.36 -0.17 1.22 2.35 -1.26 -1.45 115.58 116.09 1y5i h ASN 553 Ca 0.01 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1y5i h ASN 553 Cb 0.94 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 1y5i h ASN 553 CO 0.08 -0.13 -0.04 1.88 -1.65 0.00 0.00 177.43 177.56 1y5i h TYR 554 N -0.04 0.36 0.00 1.19 -1.99 -0.88 -2.89 116.97 112.73 1y5i h TYR 554 Ca 0.15 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1y5i h TYR 554 Cb 0.26 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 38.90 1y5i h TYR 554 CO -0.30 0.60 -0.05 0.00 -0.00 0.00 0.00 178.16 178.40 1y5i h ARG 555 N 0.02 0.00 -0.30 4.88 3.08 -0.55 0.22 114.38 121.74 1y5i h ARG 555 Ca 0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1y5i h ARG 555 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1y5i h ARG 555 CO 0.02 0.05 -0.00 0.78 -1.07 0.00 0.00 179.97 179.75 1y5i h GLY 556 N 0.31 0.57 1.02 0.04 0.00 -1.06 0.89 103.07 104.84 1y5i h GLY 556 Ca -0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1y5i h GLY 556 CO 0.01 0.39 -0.24 1.41 0.00 0.00 0.00 176.54 178.10 1y5i h LEU 557 N 0.32 0.84 -0.57 3.11 4.07 -1.22 -2.87 115.31 118.98 1y5i h LEU 557 Ca 0.08 -0.43 -0.01 0.00 0.08 0.00 0.00 57.88 57.60 1y5i h LEU 557 Cb 0.44 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 1y5i h LEU 557 CO 0.02 1.09 0.32 0.40 -1.08 0.00 0.00 178.44 179.19 1y5i h ILE 558 N 0.60 1.18 -0.85 1.22 2.04 -0.46 -2.43 117.51 118.81 1y5i h ILE 558 Ca 0.07 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1y5i h ILE 558 Cb 0.80 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1y5i h ILE 558 CO 0.07 0.20 0.55 0.78 0.00 0.00 0.00 178.15 179.74 1y5i h ASN 559 N 0.78 0.99 -0.60 1.72 -0.26 -0.83 -0.36 115.58 117.02 1y5i h ASN 559 Ca 0.20 -0.04 0.07 0.00 -0.56 0.00 0.00 56.30 55.97 1y5i h ASN 559 Cb 0.03 -0.25 -0.06 0.00 -1.06 0.00 0.00 38.32 36.99 1y5i h ASN 559 CO -0.03 0.73 0.29 0.24 -1.06 0.00 0.00 177.43 177.60 1y5i h MET 560 N 1.15 0.52 -0.33 0.81 2.86 -1.22 0.94 114.93 119.65 1y5i h MET 560 Ca 0.31 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.76 1y5i h MET 560 Cb -0.10 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 1y5i h MET 560 CO -0.06 0.34 -0.41 -0.07 1.06 0.00 0.00 176.91 177.76 1y5i h LEU 561 N 0.53 0.88 -0.28 1.22 3.38 -0.96 -2.76 115.31 117.32 1y5i h LEU 561 Ca 0.28 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1y5i h LEU 561 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1y5i h LEU 561 CO -0.22 1.18 -0.11 0.40 0.09 0.00 0.00 178.44 179.78 1y5i h ILE 562 N 0.67 1.29 0.00 1.22 2.04 -0.74 0.64 117.51 122.64 1y5i h ILE 562 Ca 0.05 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 1y5i h ILE 562 Cb 0.99 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1y5i h ILE 562 CO 0.09 0.38 -0.01 -0.26 0.00 0.00 0.00 178.15 178.35 1y5i h PHE 563 N 0.32 0.00 -0.44 1.37 0.05 -0.79 -1.59 116.94 115.86 1y5i h PHE 563 Ca 0.07 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.86 1y5i h PHE 563 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.57 1y5i h PHE 563 CO 0.06 0.01 0.00 0.00 -0.18 0.00 0.00 178.31 178.20 1y5i n GLY 565 N 0.25 -0.46 0.08 0.00 0.00 -0.60 -4.30 105.19 100.16 1y5i n GLY 565 Ca 0.24 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.44 1y5i n GLY 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y5i s VAL 567 N -2.98 3.70 0.00 0.00 1.01 -1.26 -2.28 120.40 118.60 1y5i s VAL 567 Ca -0.06 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1y5i s VAL 567 Cb 0.09 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1y5i s VAL 567 CO 0.84 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.68 1y5i n GLY 568 N 3.00 0.76 3.33 4.51 0.00 -1.07 -4.92 105.19 110.80 1y5i n GLY 568 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1y5i n GLY 568 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y5i s GLN 569 N -0.43 2.96 0.24 1.61 -1.52 -1.17 -4.06 119.66 117.29 1y5i s GLN 569 Ca 0.00 -0.78 -0.31 0.00 -1.95 0.00 0.00 55.36 52.32 1y5i s GLN 569 Cb 0.00 -2.41 -0.13 0.00 -0.22 0.00 0.00 33.01 30.26 1y5i s GLN 569 CO 0.00 0.32 1.55 0.45 -0.25 0.00 0.00 175.29 177.36 1y5i n SER 570 N 3.17 3.39 0.00 5.90 2.88 -1.26 -0.61 113.62 127.10 1y5i n SER 570 Ca -0.18 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1y5i n SER 570 Cb 0.52 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1y5i n SER 570 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y5i n GLY 571 N 2.62 0.83 3.18 0.46 0.00 -1.25 -4.72 105.19 106.32 1y5i n GLY 571 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1y5i n GLY 571 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y5i s GLY 572 N -1.56 1.15 0.00 -0.02 0.00 0.22 -3.38 107.32 103.73 1y5i s GLY 572 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1y5i s GLY 572 CO 0.00 -1.41 0.00 0.61 0.00 0.00 0.00 173.10 172.30 1y5i n GLY 573 N -0.17 0.04 3.53 0.20 0.00 -0.83 -4.49 105.19 103.47 1y5i n GLY 573 Ca -0.04 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 1y5i n GLY 573 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1y5i s TRP 574 N -0.07 3.00 -0.74 1.61 -0.00 -1.26 -1.70 118.94 119.78 1y5i s TRP 574 Ca 0.00 0.09 -0.02 0.00 -0.00 0.00 0.00 56.10 56.17 1y5i s TRP 574 Cb 0.00 -3.60 0.19 0.00 -0.00 0.00 0.00 33.47 30.06 1y5i s TRP 574 CO 0.00 -0.97 0.58 0.00 -0.00 0.00 0.00 176.95 176.55 1y5i s ALA 575 N 3.18 3.86 -0.29 5.86 0.00 0.08 -4.50 121.76 129.95 1y5i s ALA 575 Ca 0.28 -3.54 -0.22 0.00 0.00 0.00 0.00 51.96 48.48 1y5i s ALA 575 Cb -0.13 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1y5i s ALA 575 CO 0.21 -2.13 0.70 -1.58 0.00 0.00 0.00 175.76 172.97 1y5i s HIS 576 N -0.69 3.23 -0.09 0.00 5.04 -1.26 -1.28 115.29 120.24 1y5i s HIS 576 Ca 0.22 0.76 0.02 0.00 -1.54 0.00 0.00 55.06 54.52 1y5i s HIS 576 Cb -0.14 -3.04 0.01 0.00 0.04 0.00 0.00 32.58 29.45 1y5i s HIS 576 CO -0.08 -0.47 -0.13 0.71 -2.34 0.00 0.00 174.74 172.43 1y5i s TYR 577 N 2.73 1.72 0.00 3.88 2.02 -0.83 -4.89 117.35 121.97 1y5i s TYR 577 Ca 0.29 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 1y5i s TYR 577 Cb -0.15 -1.26 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 1y5i s TYR 577 CO 0.11 -0.39 0.00 1.33 -1.57 0.00 0.00 175.55 175.03 1y5i n VAL 578 N 4.10 0.00 -2.25 0.71 0.24 -1.26 -4.47 118.33 115.40 1y5i n VAL 578 Ca -0.20 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.84 1y5i n VAL 578 Cb 0.51 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 33.00 1y5i n VAL 578 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1y5i s GLY 579 N 0.00 1.74 -1.43 7.63 0.00 -1.26 -4.76 107.32 109.24 1y5i s GLY 579 Ca 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 44.72 43.35 1y5i s GLY 579 CO 0.00 -0.70 2.33 -0.18 0.00 0.00 0.00 173.10 174.55 1y5i n GLN 580 N -3.14 3.54 0.24 2.90 7.27 -1.26 -4.70 117.38 122.22 1y5i n GLN 580 Ca 0.12 -2.90 0.13 0.00 0.07 0.00 0.00 57.00 54.43 1y5i n GLN 580 Cb 0.60 -2.97 0.35 0.00 2.41 0.00 0.00 30.24 30.63 1y5i n GLN 580 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 1y5i h GLU 581 N 5.47 0.00 -5.93 3.69 -0.00 -1.94 -3.39 114.58 112.48 1y5i h GLU 581 Ca 0.62 0.00 -0.61 0.00 -0.00 0.00 0.00 59.36 59.37 1y5i h GLU 581 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 28.75 29.14 1y5i h GLU 581 CO 1.73 0.04 1.28 0.21 -0.00 0.00 0.00 179.01 182.28 1y5i s LYS 582 N -3.37 3.51 -0.58 1.06 2.20 -1.26 -4.82 119.74 116.48 1y5i s LYS 582 Ca 0.05 -1.09 -0.22 0.00 -0.36 0.00 0.00 55.97 54.34 1y5i s LYS 582 Cb 0.07 -5.07 0.06 0.00 -1.51 0.00 0.00 37.83 31.37 1y5i s LYS 582 CO 0.63 -2.11 0.86 -1.17 -0.36 0.00 0.00 175.35 173.20 1y5i s LEU 583 N 4.66 4.46 0.09 5.43 0.20 -1.26 -3.56 118.68 128.69 1y5i s LEU 583 Ca 0.41 -0.74 -0.27 0.00 0.69 0.00 0.00 54.13 54.22 1y5i s LEU 583 Cb -0.03 -2.59 -0.15 0.00 -0.43 0.00 0.00 46.19 43.00 1y5i s LEU 583 CO -0.06 -1.21 1.68 0.03 -0.29 0.00 0.00 176.35 176.50 1y5i h ARG 584 N 9.31 -0.42 -2.81 1.98 3.08 -1.90 -3.20 114.38 120.41 1y5i h ARG 584 Ca -0.27 0.03 -0.52 0.00 0.07 0.00 0.00 59.98 59.28 1y5i h ARG 584 Cb 1.08 0.10 0.01 0.00 0.08 0.00 0.00 29.97 31.23 1y5i h ARG 584 CO 1.09 -0.28 2.72 -0.35 -1.07 0.00 0.00 179.97 182.08 1y5i n PRO 585 N -5.30 3.11 -0.02 0.04 -0.04 -1.26 -4.74 135.00 126.78 1y5i n PRO 585 Ca -0.09 -1.82 -0.10 0.00 -0.04 0.00 0.00 63.50 61.45 1y5i n PRO 585 Cb 0.21 -2.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 1y5i n PRO 585 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1y5i h GLN 586 N 4.68 -0.34 0.00 0.54 5.75 -1.95 -1.98 115.11 121.80 1y5i h GLN 586 Ca 0.67 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 59.19 1y5i h GLN 586 Cb 0.55 0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.18 1y5i h GLN 586 CO 1.38 -0.23 0.00 0.25 -2.65 0.00 0.00 178.83 177.58 1y5i n THR 587 N -5.40 0.14 -0.03 2.39 -2.24 -1.26 -1.02 114.28 106.85 1y5i n THR 587 Ca -0.02 0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 1y5i n THR 587 Cb 0.32 -0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 67.77 1y5i n THR 587 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y5i n GLY 588 N 0.69 -0.87 0.13 3.38 0.00 -0.81 -4.38 105.19 103.33 1y5i n GLY 588 Ca 0.14 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1y5i n GLY 588 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1y5i h TRP 589 N 0.02 0.59 -0.56 1.61 7.01 -0.98 -3.38 115.95 120.25 1y5i h TRP 589 Ca -0.37 -0.43 0.08 0.00 2.11 0.00 0.00 58.89 60.28 1y5i h TRP 589 Cb 2.05 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 29.02 1y5i h TRP 589 CO 0.02 1.52 0.21 1.96 -2.79 0.00 0.00 178.44 179.36 1y5i h GLN 590 N 0.09 0.39 -0.63 2.65 4.20 -1.28 0.23 115.11 120.76 1y5i h GLN 590 Ca -0.29 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.37 1y5i h GLN 590 Cb 2.06 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 29.72 1y5i h GLN 590 CO 0.17 0.26 0.28 -1.00 -0.67 0.00 0.00 178.83 177.86 1y5i h PRO 591 N 0.40 0.90 0.45 1.46 0.13 -1.77 -0.94 132.00 132.63 1y5i h PRO 591 Ca 0.28 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 1y5i h PRO 591 Cb 0.32 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.29 1y5i h PRO 591 CO -0.27 0.72 -0.22 1.25 -0.23 0.00 0.00 178.00 179.25 1y5i h LEU 592 N 0.89 -0.51 -0.99 1.56 5.85 -1.53 -1.33 115.31 119.24 1y5i h LEU 592 Ca 0.22 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1y5i h LEU 592 Cb 0.13 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1y5i h LEU 592 CO -0.02 -0.22 0.50 0.00 -0.34 0.00 0.00 178.44 178.35 1y5i h ALA 593 N -0.35 1.24 -0.32 1.25 0.00 -0.77 -3.08 119.26 117.24 1y5i h ALA 593 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1y5i h ALA 593 Cb 0.55 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1y5i h ALA 593 CO 0.10 0.63 0.00 1.19 0.00 0.00 0.00 179.25 181.17 1y5i n PHE 594 N -4.35 1.06 -3.28 0.00 3.01 -0.37 -1.22 117.46 112.31 1y5i n PHE 594 Ca 0.09 -0.82 -0.24 0.00 1.01 0.00 0.00 57.45 57.50 1y5i n PHE 594 Cb 0.08 -0.31 0.02 0.00 -0.01 0.00 0.00 39.48 39.26 1y5i n PHE 594 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y5i n ALA 595 N -0.25 -1.06 0.88 4.37 0.00 -0.60 -4.69 120.51 119.16 1y5i n ALA 595 Ca 0.21 0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.98 1y5i n ALA 595 Cb 0.89 -3.66 0.51 0.00 0.00 0.00 0.00 19.45 17.20 1y5i n ALA 595 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y5i n LEU 596 N -4.06 0.00 0.17 0.00 4.77 -0.62 -1.30 117.00 115.97 1y5i n LEU 596 Ca -0.05 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.48 1y5i n LEU 596 Cb 0.58 -0.42 0.38 0.00 -2.33 0.00 0.00 43.42 41.62 1y5i n LEU 596 CO 0.53 -0.10 0.87 -2.24 -1.33 0.00 0.00 177.39 175.12 1y5i h ASP 597 N 0.00 0.00 0.00 -1.43 -0.00 -1.89 -3.38 116.42 109.72 1y5i h ASP 597 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.03 56.93 1y5i h ASP 597 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.64 1y5i h ASP 597 CO 0.00 0.00 -1.37 0.79 -0.00 0.00 0.00 179.24 178.66 1y5i n TRP 598 N -2.64 0.00 -3.83 4.15 7.02 -0.73 -0.97 117.44 120.45 1y5i n TRP 598 Ca 0.04 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.40 1y5i n TRP 598 Cb 0.42 -0.25 -0.11 0.00 -2.42 0.00 0.00 31.31 28.95 1y5i n TRP 598 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1y5i s GLN 599 N -2.13 0.32 -0.02 -0.99 -0.21 -0.42 -4.83 119.66 111.38 1y5i s GLN 599 Ca -0.09 0.03 -0.00 0.00 0.02 0.00 0.00 55.36 55.32 1y5i s GLN 599 Cb 0.02 0.14 0.03 0.00 1.00 0.00 0.00 33.01 34.20 1y5i s GLN 599 CO 0.15 -0.06 0.04 1.03 -2.12 0.00 0.00 175.29 174.33 1y5i s ARG 600 N -0.44 -0.01 0.56 2.91 0.52 -1.26 -3.92 118.95 117.32 1y5i s ARG 600 Ca -0.05 0.18 0.05 0.00 -0.52 0.00 0.00 55.73 55.39 1y5i s ARG 600 Cb -0.03 -0.19 0.07 0.00 0.52 0.00 0.00 34.95 35.31 1y5i s ARG 600 CO 0.01 -0.13 0.77 -1.25 0.02 0.00 0.00 175.30 174.72 1y5i s PRO 601 N 0.87 2.35 0.35 3.54 0.04 -1.26 -4.85 135.00 136.04 1y5i s PRO 601 Ca -0.07 -1.26 -0.02 0.00 0.04 0.00 0.00 61.00 59.69 1y5i s PRO 601 Cb -0.10 -2.58 0.07 0.00 0.04 0.00 0.00 34.50 31.93 1y5i s PRO 601 CO -0.03 -0.81 0.48 0.00 0.04 0.00 0.00 177.00 176.69 1y5i n ALA 602 N -2.29 -0.11 -3.78 8.56 0.00 -1.26 -5.04 120.51 116.60 1y5i n ALA 602 Ca 0.12 -0.84 -0.31 0.00 0.00 0.00 0.00 53.44 52.41 1y5i n ALA 602 Cb 0.60 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 20.05 1y5i n ALA 602 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y5i n ARG 603 N -1.93 2.20 -2.79 0.00 1.74 -1.26 -5.03 116.66 109.59 1y5i n ARG 603 Ca 0.07 -4.50 -0.34 0.00 -0.77 0.00 0.00 57.85 52.31 1y5i n ARG 603 Cb 0.26 -2.34 -0.07 0.00 -1.02 0.00 0.00 32.46 29.29 1y5i n ARG 603 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1y5i s HIS 604 N -1.49 3.40 -0.00 -1.55 3.76 -1.26 -1.43 115.29 116.72 1y5i s HIS 604 Ca 0.27 1.66 -0.01 0.00 -0.15 0.00 0.00 55.06 56.82 1y5i s HIS 604 Cb -0.05 -2.88 -0.00 0.00 1.11 0.00 0.00 32.58 30.76 1y5i s HIS 604 CO -0.15 -0.06 0.02 1.41 -0.85 0.00 0.00 174.74 175.11 1y5i s MET 605 N -2.87 0.13 -0.34 1.40 0.00 -0.71 -4.70 119.30 112.21 1y5i s MET 605 Ca 0.59 -0.15 -0.22 0.00 0.00 0.00 0.00 55.69 55.91 1y5i s MET 605 Cb -0.12 0.05 0.00 0.00 0.00 0.00 0.00 34.83 34.76 1y5i s MET 605 CO 0.16 -0.02 0.72 0.54 0.00 0.00 0.00 175.02 176.42 1y5i s ASN 606 N -0.44 6.54 0.40 1.11 4.22 -1.26 -0.77 114.94 124.74 1y5i s ASN 606 Ca -0.05 0.40 0.07 0.00 -2.14 0.00 0.00 52.86 51.14 1y5i s ASN 606 Cb -0.03 -2.37 0.84 0.00 1.28 0.00 0.00 41.25 40.97 1y5i s ASN 606 CO -0.00 -0.62 2.02 0.28 -2.04 0.00 0.00 177.10 176.74 1y5i h SER 607 N 8.33 0.42 -0.41 3.54 0.02 -1.92 -2.74 113.55 120.79 1y5i h SER 607 Ca -0.25 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1y5i h SER 607 Cb 1.10 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1y5i h SER 607 CO 0.87 0.36 0.22 0.74 -1.14 0.00 0.00 176.83 177.87 1y5i h THR 608 N 0.49 1.16 -0.58 -2.27 2.02 -1.91 0.17 112.91 111.98 1y5i h THR 608 Ca 0.13 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 1y5i h THR 608 Cb 0.04 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1y5i h THR 608 CO -0.02 0.17 0.01 0.28 0.37 0.00 0.00 175.52 176.33 1y5i h SER 609 N 0.53 0.96 -0.31 4.18 0.02 -1.83 -0.96 113.55 116.14 1y5i h SER 609 Ca 0.14 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1y5i h SER 609 Cb 0.07 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1y5i h SER 609 CO -0.02 1.01 0.19 0.22 -1.14 0.00 0.00 176.83 177.08 1y5i h TYR 610 N 0.91 0.41 0.00 3.45 3.20 -1.12 -0.79 116.97 123.03 1y5i h TYR 610 Ca 0.17 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.85 1y5i h TYR 610 Cb 0.51 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1y5i h TYR 610 CO 0.03 0.30 -0.89 0.74 -1.64 0.00 0.00 178.16 176.70 1y5i h PHE 611 N 0.40 0.00 -0.89 -3.82 -1.00 -0.62 -0.32 116.94 110.69 1y5i h PHE 611 Ca 0.11 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.90 1y5i h PHE 611 Cb 0.01 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1y5i h PHE 611 CO -0.04 0.89 0.59 -0.92 -1.61 0.00 0.00 178.31 177.22 1y5i h TYR 612 N 0.00 1.12 0.10 -0.55 -0.00 -0.97 -0.94 116.97 115.72 1y5i h TYR 612 Ca -0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.74 1y5i h TYR 612 Cb 1.60 -0.38 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 1y5i h TYR 612 CO 0.00 0.70 -0.05 -0.97 -0.00 0.00 0.00 178.16 177.85 1y5i h ASN 613 N 1.21 -0.11 0.75 -2.11 -1.24 -1.06 -2.20 115.58 110.82 1y5i h ASN 613 Ca 0.33 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.26 1y5i h ASN 613 Cb -0.14 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 1y5i h ASN 613 CO -0.07 0.19 -0.40 0.45 -1.29 0.00 0.00 177.43 176.31 1y5i h HIS 614 N -0.67 0.00 -0.41 0.67 3.86 -1.09 -1.65 115.15 115.87 1y5i h HIS 614 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1y5i h HIS 614 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1y5i h HIS 614 CO 0.01 0.40 0.00 -1.13 0.86 0.00 0.00 177.93 178.07 1y5i n SER 615 N -3.62 2.23 -2.93 2.45 3.41 -0.36 -4.54 113.62 110.26 1y5i n SER 615 Ca -0.01 -2.01 -0.20 0.00 -0.26 0.00 0.00 58.87 56.39 1y5i n SER 615 Cb 0.50 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 64.18 1y5i n SER 615 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1y5i n SER 616 N 0.70 -4.74 0.27 4.04 7.64 -0.62 -4.56 113.62 116.35 1y5i n SER 616 Ca 0.14 -0.17 0.15 0.00 1.01 0.00 0.00 58.87 60.00 1y5i n SER 616 Cb 0.36 -3.91 0.64 0.00 -1.01 0.00 0.00 64.21 60.29 1y5i n SER 616 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1y5i h GLN 617 N -0.76 0.00 0.00 1.43 4.20 -1.60 -1.91 115.11 116.47 1y5i h GLN 617 Ca -0.43 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.26 1y5i h GLN 617 Cb 1.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.08 1y5i h GLN 617 CO 0.50 0.06 -0.10 0.11 -0.67 0.00 0.00 178.83 178.73 1y5i h TRP 618 N 0.00 0.00 0.00 2.96 5.08 -1.83 -2.01 115.95 120.14 1y5i h TRP 618 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1y5i h TRP 618 Cb 0.55 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.71 1y5i h TRP 618 CO 0.00 0.10 0.00 0.54 -1.28 0.00 0.00 178.44 177.80 1y5i n ARG 619 N -3.74 0.19 -0.08 0.12 1.74 -0.72 -2.19 116.66 111.98 1y5i n ARG 619 Ca -0.02 0.16 0.03 0.00 -0.77 0.00 0.00 57.85 57.25 1y5i n ARG 619 Cb 0.21 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.19 1y5i n ARG 619 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1y5i n TYR 620 N -1.29 0.00 -1.75 -1.55 4.02 -0.76 -0.56 117.16 115.27 1y5i n TYR 620 Ca 0.06 -0.52 -0.42 0.00 -0.01 0.00 0.00 57.90 57.02 1y5i n TYR 620 Cb 0.11 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.35 1y5i n TYR 620 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1y5i n GLU 621 N -0.66 2.68 -0.00 -0.72 4.07 -0.93 -4.90 120.64 120.18 1y5i n GLU 621 Ca 0.05 0.95 0.02 0.00 -0.06 0.00 0.00 57.16 58.12 1y5i n GLU 621 Cb 0.46 -2.72 -0.03 0.00 -0.06 0.00 0.00 31.44 29.10 1y5i n GLU 621 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1y5i n THR 622 N 1.68 0.00 -3.45 6.31 -2.24 -1.26 -4.93 114.28 110.39 1y5i n THR 622 Ca 0.07 -0.19 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 1y5i n THR 622 Cb 0.37 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 1y5i n THR 622 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y5i s VAL 623 N -2.03 5.11 0.10 2.28 1.01 -1.26 -4.99 120.40 120.61 1y5i s VAL 623 Ca -0.01 0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.88 1y5i s VAL 623 Cb 0.03 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1y5i s VAL 623 CO 0.18 0.48 -0.10 0.42 0.00 0.00 0.00 175.10 176.09 1y5i s THR 624 N -0.39 3.38 0.30 3.92 -4.23 -1.26 -4.72 115.64 112.64 1y5i s THR 624 Ca 0.23 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.53 1y5i s THR 624 Cb -0.16 -2.58 0.11 0.00 1.34 0.00 0.00 72.50 71.22 1y5i s THR 624 CO 0.11 0.13 1.79 0.00 -0.54 0.00 0.00 174.62 176.11 1y5i h ALA 625 N 3.65 1.22 -0.55 3.99 0.00 -1.91 -2.77 119.26 122.90 1y5i h ALA 625 Ca -0.49 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.24 1y5i h ALA 625 Cb 1.17 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1y5i h ALA 625 CO 0.52 0.50 0.17 1.49 0.00 0.00 0.00 179.25 181.94 1y5i h GLU 626 N 0.48 0.33 0.00 0.00 4.22 -1.89 0.11 114.58 117.83 1y5i h GLU 626 Ca 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1y5i h GLU 626 Cb 0.50 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1y5i h GLU 626 CO 0.03 0.22 0.00 -0.85 -2.18 0.00 0.00 179.01 176.22 1y5i n GLU 627 N -5.04 0.47 -0.00 1.92 0.28 -1.04 -2.53 120.64 114.69 1y5i n GLU 627 Ca 0.07 0.03 0.06 0.00 -0.16 0.00 0.00 57.16 57.16 1y5i n GLU 627 Cb 0.25 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.54 1y5i n GLU 627 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1y5i n LEU 628 N -1.06 0.60 -4.76 -1.84 4.77 0.00 -5.03 117.00 109.68 1y5i n LEU 628 Ca 0.12 -0.47 -0.34 0.00 -0.03 0.00 0.00 56.01 55.29 1y5i n LEU 628 Cb 0.07 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1y5i n LEU 628 CO 0.10 0.15 0.78 -0.76 -1.33 0.00 0.00 177.39 176.33 1y5i s LEU 629 N -2.73 3.48 0.48 2.23 2.01 -1.05 -4.57 118.68 118.52 1y5i s LEU 629 Ca 0.04 2.18 -0.23 0.00 0.01 0.00 0.00 54.13 56.14 1y5i s LEU 629 Cb 0.10 -4.57 -0.07 0.00 0.01 0.00 0.00 46.19 41.66 1y5i s LEU 629 CO 0.56 -1.71 1.28 -0.55 1.01 0.00 0.00 176.35 176.94 1y5i s SER 630 N -2.14 5.85 0.29 2.29 0.15 0.99 -4.82 113.70 116.32 1y5i s SER 630 Ca 0.72 2.60 0.23 0.00 0.70 0.00 0.00 55.95 60.19 1y5i s SER 630 Cb -0.25 -2.63 1.07 0.00 -1.71 0.00 0.00 66.02 62.51 1y5i s SER 630 CO 0.38 -1.16 1.69 -0.81 1.20 0.00 0.00 173.24 174.55 1y5i n PRO 631 N -0.52 0.17 -0.24 5.44 -0.04 -1.26 -1.72 135.00 136.83 1y5i n PRO 631 Ca 0.07 0.52 0.09 0.00 -0.04 0.00 0.00 63.50 64.15 1y5i n PRO 631 Cb 0.45 -1.92 0.24 0.00 -0.04 0.00 0.00 33.50 32.24 1y5i n PRO 631 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1y5i n MET 632 N -2.26 2.19 -3.39 0.54 2.81 -1.26 -4.93 117.12 110.83 1y5i n MET 632 Ca 0.00 -1.84 -0.26 0.00 -1.81 0.00 0.00 57.70 53.79 1y5i n MET 632 Cb 0.14 -1.41 -0.02 0.00 -0.71 0.00 0.00 33.22 31.22 1y5i n MET 632 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1y5i s ALA 633 N -1.36 3.69 -0.87 3.04 0.00 -0.70 -5.03 121.76 120.53 1y5i s ALA 633 Ca 0.35 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 51.29 1y5i s ALA 633 Cb 0.19 -2.16 0.06 0.00 0.00 0.00 0.00 23.12 21.21 1y5i s ALA 633 CO 0.25 0.10 1.26 0.34 0.00 0.00 0.00 175.76 177.70 1y5i s ASP 634 N -3.69 6.38 0.40 0.00 3.68 -1.26 -4.89 116.67 117.30 1y5i s ASP 634 Ca 0.41 -1.23 0.22 0.00 2.13 0.00 0.00 52.55 54.08 1y5i s ASP 634 Cb -0.10 -2.51 1.23 0.00 -1.45 0.00 0.00 42.92 40.09 1y5i s ASP 634 CO 0.34 -1.49 1.69 0.11 0.13 0.00 0.00 175.17 175.95 1y5i h LYS 635 N 9.63 0.25 0.00 4.34 1.57 -1.95 0.25 116.57 130.66 1y5i h LYS 635 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1y5i h LYS 635 Cb 1.03 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1y5i h LYS 635 CO 1.28 0.16 0.00 -1.13 -0.57 0.00 0.00 179.45 179.20 1y5i n SER 636 N -4.72 0.72 -0.45 0.86 3.41 -1.26 -2.03 113.62 110.15 1y5i n SER 636 Ca 0.31 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.73 1y5i n SER 636 Cb 1.12 -0.83 0.52 0.00 -0.26 0.00 0.00 64.21 64.76 1y5i n SER 636 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1y5i n ARG 637 N -2.29 1.61 -2.76 4.33 1.74 0.89 -4.31 116.66 115.87 1y5i n ARG 637 Ca 0.02 -0.90 -0.15 0.00 -0.77 0.00 0.00 57.85 56.06 1y5i n ARG 637 Cb 0.23 -1.45 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1y5i n ARG 637 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1y5i n TYR 638 N 0.09 1.48 -2.82 -1.55 4.02 -0.86 -5.10 117.16 112.42 1y5i n TYR 638 Ca 0.18 -3.12 -0.24 0.00 -0.01 0.00 0.00 57.90 54.71 1y5i n TYR 638 Cb 0.32 -0.35 0.01 0.00 -0.02 0.00 0.00 39.34 39.31 1y5i n TYR 638 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1y5i s THR 639 N -3.44 4.06 0.00 -0.72 -4.23 -1.25 -4.61 115.64 105.45 1y5i s THR 639 Ca 0.34 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1y5i s THR 639 Cb 0.42 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1y5i s THR 639 CO -0.03 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1y5i n GLY 640 N -2.21 2.76 3.77 3.99 0.00 -1.26 -4.95 105.19 107.28 1y5i n GLY 640 Ca 0.02 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 1y5i n GLY 640 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1y5i s HIS 641 N -2.77 2.56 0.37 1.61 5.65 -1.26 -4.59 115.29 116.86 1y5i s HIS 641 Ca 0.00 1.56 0.07 0.00 0.25 0.00 0.00 55.06 56.94 1y5i s HIS 641 Cb 0.00 -3.16 0.79 0.00 -1.18 0.00 0.00 32.58 29.03 1y5i s HIS 641 CO 0.00 -1.79 1.96 -0.07 -0.65 0.00 0.00 174.74 174.19 1y5i h LEU 642 N -0.27 0.61 -1.87 8.88 3.38 -1.98 0.32 115.31 124.39 1y5i h LEU 642 Ca -0.46 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1y5i h LEU 642 Cb 1.25 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1y5i h LEU 642 CO 0.53 0.39 -0.13 -0.29 0.09 0.00 0.00 178.44 179.02 1y5i h ILE 643 N 0.69 0.68 -0.30 1.22 2.10 -1.95 -1.63 117.51 118.31 1y5i h ILE 643 Ca 0.31 -0.55 -0.09 0.00 1.08 0.00 0.00 64.86 65.61 1y5i h ILE 643 Cb 0.33 1.34 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 1y5i h ILE 643 CO -0.11 0.13 -0.20 0.44 -1.08 0.00 0.00 178.15 177.33 1y5i h ASP 644 N 0.00 0.56 0.04 2.19 3.45 -1.28 -0.87 116.42 120.51 1y5i h ASP 644 Ca -0.00 -0.18 -0.08 0.00 0.43 0.00 0.00 57.03 57.20 1y5i h ASP 644 Cb 0.33 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 1y5i h ASP 644 CO 0.02 0.77 -0.24 -0.26 -1.57 0.00 0.00 179.24 177.95 1y5i h PHE 645 N 0.50 0.38 -0.16 4.55 -1.00 -1.19 -1.90 116.94 118.13 1y5i h PHE 645 Ca 0.08 -0.07 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1y5i h PHE 645 Cb 0.63 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 1y5i h PHE 645 CO 0.02 0.57 -0.22 -0.97 -1.61 0.00 0.00 178.31 176.11 1y5i h ASN 646 N 0.31 0.47 -0.76 2.17 -1.24 -1.08 -0.37 115.58 115.08 1y5i h ASN 646 Ca 0.05 -0.52 0.08 0.00 0.71 0.00 0.00 56.30 56.62 1y5i h ASN 646 Cb 0.60 -0.13 -0.06 0.00 0.73 0.00 0.00 38.32 39.46 1y5i h ASN 646 CO 0.04 0.89 0.43 0.58 -1.29 0.00 0.00 177.43 178.08 1y5i h VAL 647 N 0.06 0.94 -0.44 2.57 2.07 -1.02 0.55 116.25 120.98 1y5i h VAL 647 Ca 0.02 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1y5i h VAL 647 Cb 0.78 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1y5i h VAL 647 CO 0.05 0.14 0.10 0.03 0.02 0.00 0.00 177.57 177.91 1y5i h ARG 648 N 0.75 0.71 -0.91 1.57 3.08 -1.26 -1.45 114.38 116.86 1y5i h ARG 648 Ca 0.35 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 1y5i h ARG 648 Cb 0.27 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1y5i h ARG 648 CO -0.22 0.72 0.57 0.00 -1.07 0.00 0.00 179.97 179.97 1y5i h ALA 649 N 0.96 1.16 0.15 0.04 0.00 -0.12 -2.08 119.26 119.38 1y5i h ALA 649 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1y5i h ALA 649 Cb 0.33 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1y5i h ALA 649 CO 0.00 0.60 -0.07 0.93 0.00 0.00 0.00 179.25 180.71 1y5i h GLU 650 N 1.25 -0.19 0.00 0.00 5.08 -0.49 -0.88 114.58 119.35 1y5i h GLU 650 Ca 0.33 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1y5i h GLU 650 Cb -0.08 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1y5i h GLU 650 CO -0.07 -0.07 0.00 0.07 -1.00 0.00 0.00 179.01 177.94 1y5i h ARG 651 N -0.27 0.00 -0.33 2.33 0.11 -1.13 -1.49 114.38 113.60 1y5i h ARG 651 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1y5i h ARG 651 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1y5i h ARG 651 CO 0.03 0.00 0.00 -1.33 0.10 0.00 0.00 179.97 178.77 1y5i n MET 652 N -2.58 2.01 -1.06 0.08 2.81 -0.80 -4.22 117.12 113.36 1y5i n MET 652 Ca 0.00 -1.54 -0.02 0.00 -1.81 0.00 0.00 57.70 54.33 1y5i n MET 652 Cb 0.20 -1.40 -0.01 0.00 -0.71 0.00 0.00 33.22 31.30 1y5i n MET 652 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y5i n GLY 653 N 1.24 0.54 0.15 3.03 0.00 -0.56 -3.11 105.19 106.48 1y5i n GLY 653 Ca 0.16 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 1y5i n GLY 653 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1y5i h TRP 654 N 0.00 0.77 -3.52 1.61 4.06 -1.36 -0.04 115.95 117.47 1y5i h TRP 654 Ca -0.05 -0.48 -0.50 0.00 2.06 0.00 0.00 58.89 59.93 1y5i h TRP 654 Cb 0.31 -0.07 -0.19 0.00 -1.00 0.00 0.00 29.16 28.22 1y5i h TRP 654 CO 0.17 1.33 -0.79 -0.51 -3.56 0.00 0.00 178.44 175.08 1y5i s LEU 655 N -8.04 2.39 0.88 -4.49 1.43 -1.22 -4.08 118.68 105.55 1y5i s LEU 655 Ca -0.12 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.06 1y5i s LEU 655 Cb 0.04 -0.76 0.12 0.00 0.03 0.00 0.00 46.19 45.61 1y5i s LEU 655 CO 0.87 -0.04 1.11 -2.16 0.23 0.00 0.00 176.35 176.36 1y5i s PRO 656 N -2.54 1.39 0.11 1.29 0.04 -1.26 -4.36 135.00 129.68 1y5i s PRO 656 Ca 0.11 0.50 0.07 0.00 0.04 0.00 0.00 61.00 61.72 1y5i s PRO 656 Cb -0.07 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1y5i s PRO 656 CO 0.05 -2.07 -0.17 -1.12 0.04 0.00 0.00 177.00 173.73 1y5i s SER 657 N -3.85 2.29 -0.30 6.66 0.01 -1.26 -4.78 113.70 112.47 1y5i s SER 657 Ca 0.63 -0.74 -0.11 0.00 1.31 0.00 0.00 55.95 57.03 1y5i s SER 657 Cb -0.15 -0.11 0.16 0.00 0.21 0.00 0.00 66.02 66.13 1y5i s SER 657 CO 0.55 -0.03 0.85 0.00 0.41 0.00 0.00 173.24 175.01 1y5i s ALA 658 N -1.60 -2.57 0.95 1.44 0.00 -1.26 -4.22 121.76 114.50 1y5i s ALA 658 Ca 0.07 2.02 -0.10 0.00 0.00 0.00 0.00 51.96 53.95 1y5i s ALA 658 Cb -0.08 -2.06 0.17 0.00 0.00 0.00 0.00 23.12 21.15 1y5i s ALA 658 CO 0.04 -1.07 1.13 -2.14 0.00 0.00 0.00 175.76 173.72 1y5i s PRO 659 N 2.69 0.70 -0.12 0.00 0.02 -1.26 -4.92 135.00 132.11 1y5i s PRO 659 Ca 0.00 1.45 -0.04 0.00 0.02 0.00 0.00 61.00 62.43 1y5i s PRO 659 Cb -0.09 -1.70 -0.01 0.00 0.02 0.00 0.00 34.50 32.71 1y5i s PRO 659 CO -0.18 -2.82 -0.08 1.96 -0.33 0.00 0.00 177.00 175.55 1y5i h GLN 660 N -2.00 0.00 -6.26 5.54 4.20 -1.87 -3.41 115.11 111.31 1y5i h GLN 660 Ca -0.46 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.68 1y5i h GLN 660 Cb 1.28 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.95 1y5i h GLN 660 CO 0.43 0.00 -0.66 -0.51 -0.67 0.00 0.00 178.83 177.42 1y5i s LEU 661 N -8.38 3.18 0.00 1.46 1.43 -1.26 -1.09 118.68 114.02 1y5i s LEU 661 Ca -0.07 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1y5i s LEU 661 Cb 0.01 -1.74 0.41 0.00 0.03 0.00 0.00 46.19 44.90 1y5i s LEU 661 CO 0.10 0.03 1.18 0.61 0.23 0.00 0.00 176.35 178.50 1y5i n GLY 662 N -0.66 -0.90 3.05 -3.19 0.00 0.14 -4.40 105.19 99.23 1y5i n GLY 662 Ca -0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1y5i n GLY 662 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1y5i s THR 663 N -2.00 0.59 -0.34 2.61 -1.32 -1.26 -4.95 115.64 108.97 1y5i s THR 663 Ca 0.10 -0.89 -0.32 0.00 -1.21 0.00 0.00 61.69 59.37 1y5i s THR 663 Cb 0.05 -0.60 -0.09 0.00 -1.51 0.00 0.00 72.50 70.34 1y5i s THR 663 CO 0.08 -0.23 2.24 -3.20 -2.21 0.00 0.00 174.62 171.30 1y5i n ASN 664 N 1.83 2.46 0.00 8.08 2.85 -1.25 -4.81 115.26 124.42 1y5i n ASN 664 Ca -0.20 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 1y5i n ASN 664 Cb 0.55 -1.37 0.00 0.00 1.24 0.00 0.00 39.78 40.20 1y5i n ASN 664 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1y5i n PRO 665 N 8.46 0.00 0.11 1.20 -0.04 -1.26 -0.29 135.00 143.17 1y5i n PRO 665 Ca 0.38 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 64.33 1y5i n PRO 665 Cb 0.32 -1.54 0.21 0.00 -0.04 0.00 0.00 33.50 32.45 1y5i n PRO 665 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1y5i h LEU 666 N 0.00 0.00 -0.11 1.53 3.38 -1.87 -2.16 115.31 116.08 1y5i h LEU 666 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1y5i h LEU 666 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1y5i h LEU 666 CO 0.00 0.04 -0.78 0.35 0.09 0.00 0.00 178.44 178.14 1y5i n THR 667 N -2.40 0.00 -0.14 0.22 -2.24 0.60 -4.47 114.28 105.85 1y5i n THR 667 Ca 0.04 -0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1y5i n THR 667 Cb 0.47 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.47 1y5i n THR 667 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1y5i h ILE 668 N 0.26 1.26 -0.57 2.28 2.04 -1.69 -3.01 117.51 118.08 1y5i h ILE 668 Ca 0.00 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.86 1y5i h ILE 668 Cb 0.52 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1y5i h ILE 668 CO 0.00 0.34 0.38 0.00 0.00 0.00 0.00 178.15 178.87 1y5i h ALA 669 N 0.88 1.66 -0.55 1.87 0.00 -1.83 0.31 119.26 121.61 1y5i h ALA 669 Ca 0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1y5i h ALA 669 Cb 0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1y5i h ALA 669 CO 0.02 0.29 -0.08 0.78 0.00 0.00 0.00 179.25 180.27 1y5i h GLY 670 N 0.71 1.10 1.73 0.00 0.00 -1.80 -2.13 103.07 102.67 1y5i h GLY 670 Ca 0.22 -0.87 -0.13 0.00 0.00 0.00 0.00 47.33 46.55 1y5i h GLY 670 CO -0.05 0.80 -0.51 0.83 0.00 0.00 0.00 176.54 177.60 1y5i h GLU 671 N 0.89 0.29 -0.29 4.80 5.08 -1.25 -2.47 114.58 121.63 1y5i h GLU 671 Ca 0.15 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1y5i h GLU 671 Cb 0.64 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1y5i h GLU 671 CO 0.04 0.73 -0.25 0.00 -1.00 0.00 0.00 179.01 178.53 1y5i h ALA 672 N 1.24 1.02 -0.11 3.43 0.00 -0.74 -2.16 119.26 121.94 1y5i h ALA 672 Ca 0.01 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 1y5i h ALA 672 Cb 0.97 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1y5i h ALA 672 CO 0.08 0.59 -0.65 1.49 0.00 0.00 0.00 179.25 180.76 1y5i h GLU 673 N 0.50 0.43 0.00 0.00 4.81 -1.24 -0.81 114.58 118.28 1y5i h GLU 673 Ca 0.07 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1y5i h GLU 673 Cb 0.70 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1y5i h GLU 673 CO 0.05 0.93 0.00 0.87 -0.73 0.00 0.00 179.01 180.14 1y5i h LYS 674 N 0.31 0.00 -0.33 1.92 1.57 -1.24 -2.70 116.57 116.10 1y5i h LYS 674 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1y5i h LYS 674 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1y5i h LYS 674 CO 0.11 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 1y5i n ALA 675 N -1.86 2.38 -2.14 3.86 0.00 -0.83 -4.99 120.51 116.93 1y5i n ALA 675 Ca 0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 53.44 52.38 1y5i n ALA 675 Cb 0.33 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 1y5i n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y5i n GLY 676 N 1.16 0.02 3.17 0.00 0.00 -0.89 -5.03 105.19 103.62 1y5i n GLY 676 Ca 0.16 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1y5i n GLY 676 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1y5i s MET 677 N -4.45 0.83 0.59 1.61 0.00 -0.36 -5.03 119.30 112.50 1y5i s MET 677 Ca 0.00 -1.31 -0.17 0.00 0.00 0.00 0.00 55.69 54.21 1y5i s MET 677 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 34.83 34.57 1y5i s MET 677 CO 0.00 -0.01 1.08 0.54 0.00 0.00 0.00 175.02 176.63 1y5i s ASN 678 N -2.98 5.64 0.32 -1.18 2.20 -1.26 -3.95 114.94 113.72 1y5i s ASN 678 Ca 0.11 1.94 0.08 0.00 -0.94 0.00 0.00 52.86 54.05 1y5i s ASN 678 Cb 0.04 -2.55 0.82 0.00 -2.00 0.00 0.00 41.25 37.56 1y5i s ASN 678 CO -0.04 -1.27 1.76 1.55 -2.94 0.00 0.00 177.10 176.16 1y5i h PRO 679 N 0.57 0.65 0.06 3.55 0.13 -1.89 -1.35 132.00 133.72 1y5i h PRO 679 Ca -0.48 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1y5i h PRO 679 Cb 1.23 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1y5i h PRO 679 CO 0.56 0.43 -0.03 0.28 -0.23 0.00 0.00 178.00 179.02 1y5i h VAL 680 N 0.67 1.07 -0.70 1.56 2.07 -1.92 -0.94 116.25 118.06 1y5i h VAL 680 Ca 0.60 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 1y5i h VAL 680 Cb 1.06 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1y5i h VAL 680 CO -0.41 0.10 0.29 0.44 0.02 0.00 0.00 177.57 178.01 1y5i h ASP 681 N -0.26 0.94 -0.59 0.57 3.32 -1.84 -0.85 116.42 117.70 1y5i h ASP 681 Ca -0.01 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 1y5i h ASP 681 Cb 0.23 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1y5i h ASP 681 CO 0.01 0.83 0.14 0.22 -1.72 0.00 0.00 179.24 178.72 1y5i h TYR 682 N 1.01 1.02 -0.24 4.55 3.20 -1.11 -1.61 116.97 123.79 1y5i h TYR 682 Ca 0.24 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 1y5i h TYR 682 Cb 0.17 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1y5i h TYR 682 CO 0.01 0.85 -0.04 1.15 -1.64 0.00 0.00 178.16 178.50 1y5i h THR 683 N 0.94 1.28 -0.33 1.81 2.02 -0.55 -0.73 112.91 117.35 1y5i h THR 683 Ca 0.20 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 1y5i h THR 683 Cb 0.35 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1y5i h THR 683 CO 0.00 0.31 0.09 0.58 0.37 0.00 0.00 175.52 176.88 1y5i h VAL 684 N 0.21 1.15 -0.11 3.16 2.07 -0.95 -0.37 116.25 121.40 1y5i h VAL 684 Ca 0.06 -0.51 -0.15 0.00 0.82 0.00 0.00 66.70 66.92 1y5i h VAL 684 Cb 0.49 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1y5i h VAL 684 CO 0.02 0.19 -0.50 0.50 0.02 0.00 0.00 177.57 177.79 1y5i h LYS 685 N 0.46 0.54 -0.43 1.57 3.64 -1.17 -2.22 116.57 118.96 1y5i h LYS 685 Ca 0.11 -0.43 -0.08 0.00 -1.27 0.00 0.00 60.65 58.98 1y5i h LYS 685 Cb 0.16 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1y5i h LYS 685 CO -0.01 1.06 -0.07 0.77 -2.27 0.00 0.00 179.45 178.93 1y5i h SER 686 N 0.15 0.72 -0.34 4.20 0.02 -0.81 -1.63 113.55 115.85 1y5i h SER 686 Ca -0.03 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1y5i h SER 686 Cb 1.14 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 1y5i h SER 686 CO 0.10 0.83 0.10 -0.07 -1.14 0.00 0.00 176.83 176.66 1y5i h LEU 687 N 0.68 0.51 -0.57 5.07 3.38 -1.03 0.17 115.31 123.52 1y5i h LEU 687 Ca 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1y5i h LEU 687 Cb 0.52 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1y5i h LEU 687 CO 0.03 0.58 0.35 0.11 0.09 0.00 0.00 178.44 179.60 1y5i h LYS 688 N 0.40 0.78 0.00 1.13 1.57 -1.18 -2.72 116.57 116.55 1y5i h LYS 688 Ca 0.11 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1y5i h LYS 688 Cb 0.26 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1y5i h LYS 688 CO -0.00 0.56 0.00 0.93 -0.57 0.00 0.00 179.45 180.37 1y5i h GLU 689 N 0.77 0.00 0.00 3.15 5.08 -1.19 -3.47 114.58 118.93 1y5i h GLU 689 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1y5i h GLU 689 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1y5i h GLU 689 CO -0.04 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.38 1y5i n GLY 690 N 1.18 0.48 0.15 -3.84 0.00 0.40 -4.91 105.19 98.64 1y5i n GLY 690 Ca 0.05 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.47 1y5i n GLY 690 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y5i h SER 691 N 0.00 0.00 -3.37 1.61 4.64 -1.28 -3.42 113.55 111.74 1y5i h SER 691 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1y5i h SER 691 Cb 0.00 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 61.75 1y5i h SER 691 CO 0.00 0.38 -0.84 -0.63 -0.87 0.00 0.00 176.83 174.87 1y5i s ILE 692 N -3.03 1.44 0.17 0.95 1.01 -1.03 -5.01 121.20 115.70 1y5i s ILE 692 Ca 0.04 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.14 1y5i s ILE 692 Cb 0.07 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1y5i s ILE 692 CO 0.74 0.42 -0.22 -0.13 0.00 0.00 0.00 174.94 175.76 1y5i s ARG 693 N 0.65 1.37 0.24 2.79 0.52 -1.26 -3.94 118.95 119.32 1y5i s ARG 693 Ca -0.14 -1.42 -0.30 0.00 -0.52 0.00 0.00 55.73 53.34 1y5i s ARG 693 Cb -0.16 -1.59 -0.10 0.00 0.52 0.00 0.00 34.95 33.62 1y5i s ARG 693 CO 0.04 0.34 1.47 -0.06 0.02 0.00 0.00 175.30 177.11 1y5i s PHE 694 N -1.72 3.00 0.48 -0.53 0.40 -1.26 0.24 117.98 118.59 1y5i s PHE 694 Ca 0.17 0.96 0.24 0.00 -0.60 0.00 0.00 56.93 57.70 1y5i s PHE 694 Cb -0.07 -3.85 1.44 0.00 0.51 0.00 0.00 43.02 41.04 1y5i s PHE 694 CO 0.08 -2.83 2.11 0.00 0.70 0.00 0.00 175.22 175.28 1y5i h ALA 695 N 5.22 1.49 0.00 5.36 0.00 -1.31 -2.60 119.26 127.41 1y5i h ALA 695 Ca -0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1y5i h ALA 695 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y5i h ALA 695 CO 0.79 0.12 -0.00 0.00 0.00 0.00 0.00 179.25 180.16 1y5i h ALA 696 N 1.91 1.48 0.00 0.00 0.00 -1.80 -1.97 119.26 118.88 1y5i h ALA 696 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1y5i h ALA 696 Cb 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1y5i h ALA 696 CO 0.01 0.00 -0.27 0.93 0.00 0.00 0.00 179.25 179.92 1y5i h GLU 697 N 0.00 0.00 -2.01 0.00 5.08 -1.70 -3.34 114.58 112.61 1y5i h GLU 697 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1y5i h GLU 697 Cb 0.01 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.86 1y5i h GLU 697 CO 0.00 0.27 -1.11 1.04 -1.00 0.00 0.00 179.01 178.21 1y5i n GLN 698 N -3.72 0.87 0.13 2.33 6.02 -0.75 -1.55 117.38 120.72 1y5i n GLN 698 Ca -0.01 -3.33 0.10 0.00 -0.01 0.00 0.00 57.00 53.75 1y5i n GLN 698 Cb 0.38 -1.39 0.49 0.00 1.02 0.00 0.00 30.24 30.75 1y5i n GLN 698 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1y5i n PRO 699 N 1.08 0.14 -0.12 -1.09 -0.04 -1.19 -2.89 135.00 130.89 1y5i n PRO 699 Ca 0.22 0.55 0.05 0.00 -0.04 0.00 0.00 63.50 64.29 1y5i n PRO 699 Cb 0.56 -1.87 0.11 0.00 -0.04 0.00 0.00 33.50 32.25 1y5i n PRO 699 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1y5i n GLU 700 N -2.15 2.47 0.00 0.54 1.02 -1.26 -4.23 120.64 117.03 1y5i n GLU 700 Ca -0.00 -2.11 0.11 0.00 -0.02 0.00 0.00 57.16 55.14 1y5i n GLU 700 Cb 0.09 -1.32 0.57 0.00 -0.02 0.00 0.00 31.44 30.76 1y5i n GLU 700 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1y5i n ASN 701 N -0.58 0.00 0.00 1.62 6.94 -1.14 -4.82 115.26 117.28 1y5i n ASN 701 Ca 0.10 -0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1y5i n ASN 701 Cb 0.49 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 1y5i n ASN 701 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1y5i n GLY 702 N 0.64 0.37 0.00 4.83 0.00 -1.26 -4.88 105.19 104.89 1y5i n GLY 702 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1y5i n GLY 702 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y5i n LYS 703 N -1.57 2.31 -0.48 1.61 5.02 -1.26 -4.84 118.16 118.95 1y5i n LYS 703 Ca 0.00 -0.11 0.08 0.00 -2.02 0.00 0.00 58.31 56.26 1y5i n LYS 703 Cb 0.00 -0.48 0.28 0.00 -0.02 0.00 0.00 35.03 34.81 1y5i n LYS 703 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y5i n ASN 704 N -0.36 4.11 -4.61 4.39 5.03 -1.26 -4.98 115.26 117.58 1y5i n ASN 704 Ca 0.00 -2.63 -0.27 0.00 0.87 0.00 0.00 54.58 52.55 1y5i n ASN 704 Cb 0.04 -0.50 -0.09 0.00 -1.02 0.00 0.00 39.78 38.21 1y5i n ASN 704 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 1y5i s HIS 705 N -2.15 2.74 0.52 3.10 -3.43 -1.26 -4.31 115.29 110.49 1y5i s HIS 705 Ca 0.42 -0.17 -0.22 0.00 -0.80 0.00 0.00 55.06 54.29 1y5i s HIS 705 Cb 0.30 -1.35 -0.06 0.00 -1.43 0.00 0.00 32.58 30.04 1y5i s HIS 705 CO 0.15 0.50 1.24 -1.25 -2.00 0.00 0.00 174.74 173.38 1y5i s PRO 706 N -2.76 3.38 -0.00 -0.38 0.04 -1.26 -4.86 135.00 129.16 1y5i s PRO 706 Ca 0.25 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1y5i s PRO 706 Cb -0.09 -2.25 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1y5i s PRO 706 CO 0.16 -0.91 0.00 0.54 0.04 0.00 0.00 177.00 176.84 1y5i n ARG 707 N -0.91 2.11 -4.72 4.56 1.74 0.59 -4.21 116.66 115.82 1y5i n ARG 707 Ca 0.10 -0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.91 1y5i n ARG 707 Cb 0.47 -1.00 -0.17 0.00 -1.02 0.00 0.00 32.46 30.74 1y5i n ARG 707 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1y5i s ASN 708 N -2.54 2.13 -0.06 0.55 0.02 -0.94 -0.12 114.94 113.98 1y5i s ASN 708 Ca -0.00 -0.37 0.00 0.00 -1.02 0.00 0.00 52.86 51.47 1y5i s ASN 708 Cb 0.00 -0.98 0.02 0.00 0.02 0.00 0.00 41.25 40.31 1y5i s ASN 708 CO 0.00 0.06 -0.04 -0.22 0.02 0.00 0.00 177.10 176.92 1y5i s LEU 709 N 0.62 1.10 -0.16 0.60 2.96 -0.39 -0.77 118.68 122.64 1y5i s LEU 709 Ca -0.15 -0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 53.51 1y5i s LEU 709 Cb -0.16 -0.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.95 1y5i s LEU 709 CO 0.04 -0.10 0.16 -0.36 -1.32 0.00 0.00 176.35 174.78 1y5i s PHE 710 N 1.35 3.49 -0.09 5.38 0.08 -0.39 -1.08 117.98 126.72 1y5i s PHE 710 Ca -0.04 0.45 0.01 0.00 0.12 0.00 0.00 56.93 57.47 1y5i s PHE 710 Cb -0.13 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.21 1y5i s PHE 710 CO -0.03 0.44 -0.09 0.42 -0.10 0.00 0.00 175.22 175.86 1y5i s ILE 711 N -0.11 1.04 -0.12 0.64 1.01 0.31 -0.48 121.20 123.50 1y5i s ILE 711 Ca 0.12 -0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.25 1y5i s ILE 711 Cb -0.12 -1.02 0.04 0.00 0.01 0.00 0.00 42.46 41.38 1y5i s ILE 711 CO 0.01 0.36 0.42 -1.66 0.00 0.00 0.00 174.94 174.07 1y5i s TRP 712 N 1.24 -0.41 -1.70 3.97 -2.14 -1.07 -1.07 118.94 117.76 1y5i s TRP 712 Ca -0.04 0.93 0.00 0.00 2.66 0.00 0.00 56.10 59.65 1y5i s TRP 712 Cb -0.14 0.16 0.00 0.00 -3.10 0.00 0.00 33.47 30.40 1y5i s TRP 712 CO -0.03 -0.30 0.00 0.54 -2.66 0.00 0.00 176.95 174.50 1y5i n ARG 713 N 2.29 -1.43 -3.73 3.25 1.74 -1.26 -4.34 116.66 113.19 1y5i n ARG 713 Ca -0.16 0.97 -0.14 0.00 -0.77 0.00 0.00 57.85 57.76 1y5i n ARG 713 Cb 0.57 -5.43 -0.09 0.00 -1.02 0.00 0.00 32.46 26.49 1y5i n ARG 713 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1y5i s SER 714 N -2.35 -0.29 -0.42 0.55 0.15 -1.26 -4.36 113.70 105.72 1y5i s SER 714 Ca 0.00 0.33 0.07 0.00 0.70 0.00 0.00 55.95 57.05 1y5i s SER 714 Cb 0.00 0.46 0.43 0.00 -1.71 0.00 0.00 66.02 65.20 1y5i s SER 714 CO 0.00 -0.38 1.10 -3.20 1.20 0.00 0.00 173.24 171.95 1y5i n ASN 715 N 1.64 4.30 -0.31 5.45 5.15 -1.26 -4.93 115.26 125.31 1y5i n ASN 715 Ca -0.19 -3.59 0.20 0.00 -0.60 0.00 0.00 54.58 50.41 1y5i n ASN 715 Cb 0.56 -0.46 0.39 0.00 -0.53 0.00 0.00 39.78 39.74 1y5i n ASN 715 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1y5i n LEU 716 N -0.44 0.08 -1.74 1.20 7.94 -1.26 -0.50 117.00 122.28 1y5i n LEU 716 Ca 0.35 1.55 -0.14 0.00 -1.11 0.00 0.00 56.01 56.66 1y5i n LEU 716 Cb 0.70 -0.65 0.10 0.00 0.53 0.00 0.00 43.42 44.10 1y5i n LEU 716 CO 0.32 -1.64 0.98 0.18 -1.11 0.00 0.00 177.39 176.13 1y5i n LEU 717 N -5.24 5.30 0.00 -1.96 4.77 -1.26 -0.18 117.00 118.42 1y5i n LEU 717 Ca 0.27 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.47 1y5i n LEU 717 Cb 0.91 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1y5i n LEU 717 CO -0.04 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1y5i n GLY 718 N -0.42 0.92 0.62 -0.72 0.00 0.35 -4.36 105.19 101.58 1y5i n GLY 718 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1y5i n GLY 718 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y5i n SER 719 N 0.00 0.00 0.08 1.61 2.88 0.30 -4.04 113.62 114.45 1y5i n SER 719 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1y5i n SER 719 Cb 0.13 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 63.95 1y5i n SER 719 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1y5i n SER 720 N -1.50 0.71 -4.57 -3.46 3.41 -1.25 -4.75 113.62 102.21 1y5i n SER 720 Ca 0.00 0.44 -0.24 0.00 -0.26 0.00 0.00 58.87 58.81 1y5i n SER 720 Cb 0.00 -0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 63.37 1y5i n SER 720 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1y5i s GLY 721 N -3.52 -0.05 0.44 5.00 0.00 0.74 -4.95 107.32 104.98 1y5i s GLY 721 Ca 0.10 -1.57 -0.26 0.00 0.00 0.00 0.00 44.72 43.00 1y5i s GLY 721 CO 0.62 3.66 1.42 0.28 0.00 0.00 0.00 173.10 179.08 1y5i n LYS 722 N 8.67 2.26 -2.72 2.90 4.01 -1.26 -2.62 118.16 129.39 1y5i n LYS 722 Ca 0.42 0.80 -0.07 0.00 -0.51 0.00 0.00 58.31 58.95 1y5i n LYS 722 Cb 0.46 -2.60 0.03 0.00 -0.51 0.00 0.00 35.03 32.41 1y5i n LYS 722 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1y5i n GLY 723 N 0.60 0.30 0.29 0.72 0.00 -1.06 -4.68 105.19 101.35 1y5i n GLY 723 Ca 0.05 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.83 1y5i n GLY 723 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1y5i h HIS 724 N -0.84 0.54 0.00 1.61 2.76 -0.70 -1.01 115.15 117.51 1y5i h HIS 724 Ca -0.21 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 57.92 1y5i h HIS 724 Cb 1.13 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1y5i h HIS 724 CO 0.17 0.02 -0.37 0.93 -1.30 0.00 0.00 177.93 177.38 1y5i h GLU 725 N 0.42 0.00 -0.19 5.26 4.39 -1.80 -1.71 114.58 120.95 1y5i h GLU 725 Ca 0.46 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.98 1y5i h GLU 725 Cb 0.77 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1y5i h GLU 725 CO -0.45 0.37 -0.62 0.74 -1.16 0.00 0.00 179.01 177.88 1y5i h PHE 726 N 0.00 0.86 -0.64 4.33 0.04 -1.51 -1.74 116.94 118.28 1y5i h PHE 726 Ca -0.00 -0.33 -0.07 0.00 2.80 0.00 0.00 57.97 60.36 1y5i h PHE 726 Cb 0.83 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.81 1y5i h PHE 726 CO 0.00 1.12 0.12 0.52 -0.60 0.00 0.00 178.31 179.46 1y5i h MET 727 N 0.49 1.05 -0.39 1.51 2.86 -0.90 0.54 114.93 120.08 1y5i h MET 727 Ca -0.01 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1y5i h MET 727 Cb 1.21 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1y5i h MET 727 CO 0.12 0.96 0.12 -0.07 1.06 0.00 0.00 176.91 179.11 1y5i h LEU 728 N 0.96 0.58 0.15 1.22 4.07 -1.21 -0.55 115.31 120.53 1y5i h LEU 728 Ca 0.20 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1y5i h LEU 728 Cb 0.41 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1y5i h LEU 728 CO 0.01 0.63 -0.07 0.50 -1.08 0.00 0.00 178.44 178.43 1y5i h LYS 729 N 0.49 -0.19 0.13 1.13 3.64 -1.12 -0.48 116.57 120.16 1y5i h LYS 729 Ca 0.13 0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 59.21 1y5i h LYS 729 Cb 0.27 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1y5i h LYS 729 CO -0.00 0.24 -1.56 1.88 -2.27 0.00 0.00 179.45 177.73 1y5i h TYR 730 N -0.73 0.48 0.10 1.91 -1.99 -0.97 -2.69 116.97 113.08 1y5i h TYR 730 Ca -0.02 -0.35 -0.29 0.00 2.00 0.00 0.00 58.73 60.07 1y5i h TYR 730 Cb 0.52 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 1y5i h TYR 730 CO 0.08 1.42 -1.50 -0.07 -0.00 0.00 0.00 178.16 178.09 1y5i h LEU 731 N 0.07 0.32 0.04 3.88 3.38 -1.25 -2.05 115.31 119.71 1y5i h LEU 731 Ca -0.26 -0.82 -0.30 0.00 0.09 0.00 0.00 57.88 56.59 1y5i h LEU 731 Cb 2.03 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.64 1y5i h LEU 731 CO 0.16 1.64 -1.66 -0.07 0.09 0.00 0.00 178.44 178.61 1y5i h LEU 732 N -0.34 0.14 0.09 1.67 4.07 -1.31 -0.90 115.31 118.72 1y5i h LEU 732 Ca -0.33 -0.26 -0.02 0.00 0.08 0.00 0.00 57.88 57.35 1y5i h LEU 732 Cb 1.74 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 43.43 1y5i h LEU 732 CO 0.02 1.22 -0.02 0.61 -1.08 0.00 0.00 178.44 179.20 1y5i n GLY 733 N 1.63 0.36 3.88 0.83 0.00 -0.28 -4.53 105.19 107.08 1y5i n GLY 733 Ca -0.18 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 1y5i n GLY 733 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y5i s THR 734 N -2.04 1.75 0.87 2.61 -4.23 -0.66 -4.28 115.64 109.66 1y5i s THR 734 Ca 0.00 -1.53 -0.12 0.00 -1.18 0.00 0.00 61.69 58.86 1y5i s THR 734 Cb 0.00 -2.28 0.09 0.00 1.34 0.00 0.00 72.50 71.65 1y5i s THR 734 CO 0.00 0.00 1.00 -0.62 -0.54 0.00 0.00 174.62 174.46 1y5i n GLU 735 N -1.67 -0.12 -3.94 3.99 1.02 -1.26 -4.26 120.64 114.40 1y5i n GLU 735 Ca -0.02 0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 1y5i n GLU 735 Cb 0.64 -2.27 -0.05 0.00 -0.02 0.00 0.00 31.44 29.74 1y5i n GLU 735 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1y5i s HIS 736 N -2.34 0.27 -0.22 -0.32 -3.43 -1.26 -4.64 115.29 103.35 1y5i s HIS 736 Ca 0.68 -0.63 0.14 0.00 -0.80 0.00 0.00 55.06 54.45 1y5i s HIS 736 Cb -0.26 0.18 0.55 0.00 -1.43 0.00 0.00 32.58 31.62 1y5i s HIS 736 CO 0.57 -0.92 1.47 0.41 -2.00 0.00 0.00 174.74 174.27 1y5i n GLY 737 N -0.34 4.22 3.73 -1.38 0.00 -1.26 -5.01 105.19 105.15 1y5i n GLY 737 Ca -0.05 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 1y5i n GLY 737 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1y5i n ILE 738 N -0.64 0.78 -0.09 -0.61 5.41 -1.26 -4.00 119.36 118.95 1y5i n ILE 738 Ca 0.26 -0.19 -0.10 0.00 1.00 0.00 0.00 62.75 63.72 1y5i n ILE 738 Cb 0.98 -1.91 -0.13 0.00 -0.71 0.00 0.00 39.64 37.87 1y5i n ILE 738 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y5i n GLN 739 N 2.55 0.98 -2.09 0.38 1.13 -0.19 -4.93 117.38 115.21 1y5i n GLN 739 Ca 0.11 0.02 -0.28 0.00 -1.94 0.00 0.00 57.00 54.92 1y5i n GLN 739 Cb 0.36 -1.46 0.11 0.00 0.11 0.00 0.00 30.24 29.36 1y5i n GLN 739 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1y5i s GLY 740 N -5.42 1.70 0.12 1.08 0.00 -0.16 -4.99 107.32 99.65 1y5i s GLY 740 Ca -0.14 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.53 1y5i s GLY 740 CO 0.68 -0.48 0.32 0.54 0.00 0.00 0.00 173.10 174.16 1y5i s LYS 741 N -5.51 3.54 0.74 2.90 1.02 -1.26 -5.07 119.74 116.11 1y5i s LYS 741 Ca 0.65 -0.26 -0.08 0.00 0.02 0.00 0.00 55.97 56.30 1y5i s LYS 741 Cb -0.08 -2.91 0.08 0.00 -0.52 0.00 0.00 37.83 34.39 1y5i s LYS 741 CO 0.48 0.51 1.07 0.16 -0.92 0.00 0.00 175.35 176.65 1y5i s ASP 742 N -2.59 4.60 0.28 2.83 1.47 -1.26 -4.84 116.67 117.17 1y5i s ASP 742 Ca 0.38 0.46 -0.00 0.00 1.18 0.00 0.00 52.55 54.58 1y5i s ASP 742 Cb -0.12 -1.02 0.66 0.00 -0.34 0.00 0.00 42.92 42.09 1y5i s ASP 742 CO 0.26 -1.76 1.62 -0.07 0.68 0.00 0.00 175.17 175.91 1y5i h LEU 743 N -0.76 -0.22 -0.37 2.11 4.07 -1.18 -1.67 115.31 117.29 1y5i h LEU 743 Ca -0.44 0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 1y5i h LEU 743 Cb 1.31 0.35 -0.02 0.00 1.08 0.00 0.00 40.66 43.38 1y5i h LEU 743 CO 0.59 -0.22 0.17 1.23 -1.08 0.00 0.00 178.44 179.13 1y5i h GLY 744 N 0.12 0.58 2.00 0.83 0.00 -1.88 0.18 103.07 104.90 1y5i h GLY 744 Ca 0.53 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1y5i h GLY 744 CO -0.73 0.28 -0.12 1.46 0.00 0.00 0.00 176.54 177.43 1y5i h GLN 745 N 0.46 0.00 -0.02 4.80 4.20 -1.69 -1.83 115.11 121.04 1y5i h GLN 745 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1y5i h GLN 745 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1y5i h GLN 745 CO -0.02 0.12 -0.02 1.04 -0.67 0.00 0.00 178.83 179.28 1y5i n GLN 746 N -3.50 1.91 -2.23 1.46 6.02 -0.78 -4.94 117.38 115.32 1y5i n GLN 746 Ca -0.01 -1.35 -0.15 0.00 -0.01 0.00 0.00 57.00 55.48 1y5i n GLN 746 Cb 0.26 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 1y5i n GLN 746 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y5i n GLY 747 N 1.26 -0.14 3.81 1.08 0.00 -0.68 -5.00 105.19 105.52 1y5i n GLY 747 Ca 0.17 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1y5i n GLY 747 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y5i s GLY 748 N -2.36 1.74 -0.13 -0.02 0.00 0.53 -5.00 107.32 102.08 1y5i s GLY 748 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 44.72 43.20 1y5i s GLY 748 CO 0.00 -0.36 1.00 -1.34 0.00 0.00 0.00 173.10 172.40 1y5i s VAL 749 N -3.63 4.77 0.48 1.40 -7.23 -1.26 -4.84 120.40 110.10 1y5i s VAL 749 Ca 0.75 2.01 -0.19 0.00 -1.81 0.00 0.00 61.98 62.73 1y5i s VAL 749 Cb -0.04 -4.30 -0.09 0.00 0.56 0.00 0.00 36.38 32.51 1y5i s VAL 749 CO 0.54 -0.03 0.99 -0.54 -0.31 0.00 0.00 175.10 175.76 1y5i s LYS 750 N 2.23 3.96 0.84 4.82 1.02 -1.26 -4.96 119.74 126.39 1y5i s LYS 750 Ca 0.47 1.15 -0.13 0.00 0.02 0.00 0.00 55.97 57.49 1y5i s LYS 750 Cb -0.18 -2.13 0.09 0.00 -0.52 0.00 0.00 37.83 35.10 1y5i s LYS 750 CO 0.15 -0.27 1.10 -0.35 -0.92 0.00 0.00 175.35 175.06 1y5i n PRO 751 N -1.09 -0.02 0.00 -1.68 -0.04 -1.26 -4.84 135.00 126.07 1y5i n PRO 751 Ca 0.08 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1y5i n PRO 751 Cb 0.53 -2.36 0.06 0.00 -0.04 0.00 0.00 33.50 31.70 1y5i n PRO 751 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1y5i n GLU 752 N -3.32 0.15 -0.00 0.54 0.28 -1.26 -4.36 120.64 112.67 1y5i n GLU 752 Ca 0.13 -0.11 0.03 0.00 -0.16 0.00 0.00 57.16 57.04 1y5i n GLU 752 Cb 0.51 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.85 1y5i n GLU 752 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1y5i n GLU 753 N -1.33 4.94 -4.95 3.44 -0.58 -1.26 -5.00 120.64 115.89 1y5i n GLU 753 Ca 0.06 -0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.52 1y5i n GLU 753 Cb 0.34 -0.79 -0.16 0.00 -0.57 0.00 0.00 31.44 30.26 1y5i n GLU 753 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1y5i s VAL 754 N -1.58 1.60 0.73 2.62 1.01 -1.26 -4.54 120.40 118.98 1y5i s VAL 754 Ca 0.02 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 1y5i s VAL 754 Cb 0.05 -1.37 0.04 0.00 0.00 0.00 0.00 36.38 35.09 1y5i s VAL 754 CO 0.25 0.46 1.25 -1.81 0.00 0.00 0.00 175.10 175.24 1y5i s ASP 755 N -0.01 4.06 0.01 3.32 -0.00 -0.60 -4.57 116.67 118.88 1y5i s ASP 755 Ca -0.04 2.49 0.07 0.00 -0.00 0.00 0.00 52.55 55.07 1y5i s ASP 755 Cb -0.12 -2.60 -0.02 0.00 -0.00 0.00 0.00 42.92 40.17 1y5i s ASP 755 CO 0.03 -2.36 -0.23 0.86 -0.00 0.00 0.00 175.17 173.47 1y5i s TRP 756 N -1.80 2.02 -0.05 4.23 -0.11 -1.26 -4.93 118.94 117.04 1y5i s TRP 756 Ca 0.78 -0.38 -0.04 0.00 1.22 0.00 0.00 56.10 57.67 1y5i s TRP 756 Cb -0.33 -1.26 0.02 0.00 -1.50 0.00 0.00 33.47 30.40 1y5i s TRP 756 CO 0.45 0.03 0.13 1.14 -4.62 0.00 0.00 176.95 174.08 1y5i s GLN 757 N -0.83 0.13 0.30 5.86 -2.07 -1.26 -5.06 119.66 116.74 1y5i s GLN 757 Ca 0.09 0.21 -0.01 0.00 -1.82 0.00 0.00 55.36 53.83 1y5i s GLN 757 Cb -0.09 0.02 0.45 0.00 -1.09 0.00 0.00 33.01 32.30 1y5i s GLN 757 CO 0.00 -0.05 1.94 -0.44 -1.32 0.00 0.00 175.29 175.43 1y5i h ASP 758 N 6.22 0.89 -3.40 12.60 3.45 -2.00 -3.35 116.42 130.82 1y5i h ASP 758 Ca -0.29 -0.05 -0.72 0.00 0.43 0.00 0.00 57.03 56.41 1y5i h ASP 758 Cb 1.19 -0.22 -0.31 0.00 -0.56 0.00 0.00 39.33 39.42 1y5i h ASP 758 CO 0.43 0.69 -0.42 0.20 -1.57 0.00 0.00 179.24 178.56 1y5i s ASN 759 N -6.38 5.58 0.55 6.45 -0.87 -1.26 -4.95 114.94 114.06 1y5i s ASN 759 Ca -0.11 -2.02 -0.21 0.00 -1.57 0.00 0.00 52.86 48.95 1y5i s ASN 759 Cb 0.17 -1.96 -0.05 0.00 -0.02 0.00 0.00 41.25 39.40 1y5i s ASN 759 CO 0.79 -0.63 1.35 -0.83 -2.57 0.00 0.00 177.10 175.21 1y5i s GLY 760 N 2.32 2.89 0.15 0.66 0.00 -1.26 -4.93 107.32 107.15 1y5i s GLY 760 Ca 0.07 1.33 -0.31 0.00 0.00 0.00 0.00 44.72 45.80 1y5i s GLY 760 CO -0.02 1.84 1.61 -2.27 0.00 0.00 0.00 173.10 174.26 1y5i s LEU 761 N -3.57 4.37 0.37 0.66 2.96 -1.26 -5.01 118.68 117.20 1y5i s LEU 761 Ca 0.72 2.63 0.08 0.00 -0.22 0.00 0.00 54.13 57.35 1y5i s LEU 761 Cb -0.40 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.64 1y5i s LEU 761 CO 0.47 -0.86 0.06 -1.61 -1.32 0.00 0.00 176.35 173.10 1y5i s GLU 762 N 1.44 2.10 -1.41 1.98 2.02 -1.26 -4.78 118.70 118.80 1y5i s GLU 762 Ca 0.72 -1.84 -0.06 0.00 0.02 0.00 0.00 54.97 53.80 1y5i s GLU 762 Cb -0.44 -1.90 0.04 0.00 0.10 0.00 0.00 34.13 31.93 1y5i s GLU 762 CO 0.32 0.02 0.86 0.41 0.02 0.00 0.00 175.26 176.89 1y5i n GLY 763 N -1.05 -0.39 0.35 -1.39 0.00 -1.03 -4.85 105.19 96.83 1y5i n GLY 763 Ca -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 1y5i n GLY 763 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y5i h LYS 764 N -2.02 1.24 -6.29 1.61 1.57 -1.14 -3.42 116.57 108.13 1y5i h LYS 764 Ca -0.60 -0.16 -0.55 0.00 -1.87 0.00 0.00 60.65 57.47 1y5i h LYS 764 Cb 1.37 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1y5i h LYS 764 CO 0.61 0.93 0.78 -0.51 -0.57 0.00 0.00 179.45 180.68 1y5i s LEU 765 N -9.88 4.27 0.18 2.94 1.43 -0.36 -4.55 118.68 112.70 1y5i s LEU 765 Ca -0.13 1.85 0.11 0.00 -1.03 0.00 0.00 54.13 54.94 1y5i s LEU 765 Cb 0.17 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.74 1y5i s LEU 765 CO 0.83 -0.65 1.29 0.44 0.23 0.00 0.00 176.35 178.49 1y5i h ASP 766 N 7.73 0.00 -2.99 2.29 3.45 -0.78 -3.46 116.42 122.66 1y5i h ASP 766 Ca -0.33 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.02 1y5i h ASP 766 Cb 1.15 0.00 -0.27 0.00 -0.56 0.00 0.00 39.33 39.66 1y5i h ASP 766 CO 0.90 0.76 -0.31 -0.22 -1.57 0.00 0.00 179.24 178.81 1y5i s LEU 767 N -6.52 -0.30 -0.19 1.55 0.20 -0.90 -5.03 118.68 107.49 1y5i s LEU 767 Ca 0.02 0.95 0.00 0.00 0.69 0.00 0.00 54.13 55.79 1y5i s LEU 767 Cb 0.09 1.39 0.02 0.00 -0.43 0.00 0.00 46.19 47.25 1y5i s LEU 767 CO 0.79 -0.21 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.78 1y5i s VAL 768 N 1.80 2.26 -0.18 1.68 1.01 -1.26 -1.26 120.40 124.45 1y5i s VAL 768 Ca -0.07 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 1y5i s VAL 768 Cb -0.09 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1y5i s VAL 768 CO -0.13 0.51 -0.16 -0.69 0.00 0.00 0.00 175.10 174.63 1y5i s VAL 769 N 1.31 2.48 -0.06 2.92 1.01 -0.25 -1.64 120.40 126.18 1y5i s VAL 769 Ca 0.05 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1y5i s VAL 769 Cb -0.13 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1y5i s VAL 769 CO -0.11 0.51 -0.25 -0.89 0.00 0.00 0.00 175.10 174.36 1y5i s THR 770 N 1.21 2.03 -0.22 3.92 2.01 -0.81 -0.53 115.64 123.25 1y5i s THR 770 Ca 0.02 -1.05 -0.07 0.00 0.31 0.00 0.00 61.69 60.90 1y5i s THR 770 Cb -0.14 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1y5i s THR 770 CO -0.07 0.56 0.07 -0.76 -0.69 0.00 0.00 174.62 173.73 1y5i s LEU 771 N -0.09 3.60 0.26 4.42 1.02 -0.24 -1.30 118.68 126.34 1y5i s LEU 771 Ca -0.05 -0.09 -0.19 0.00 0.02 0.00 0.00 54.13 53.81 1y5i s LEU 771 Cb -0.14 -1.94 0.02 0.00 0.02 0.00 0.00 46.19 44.14 1y5i s LEU 771 CO 0.04 0.04 0.63 -0.62 0.02 0.00 0.00 176.35 176.47 1y5i s ASP 772 N 1.15 -0.24 -0.01 2.29 3.68 -0.89 -4.08 116.67 118.57 1y5i s ASP 772 Ca 0.04 -0.63 0.15 0.00 2.13 0.00 0.00 52.55 54.25 1y5i s ASP 772 Cb -0.14 0.67 -0.19 0.00 -1.45 0.00 0.00 42.92 41.81 1y5i s ASP 772 CO 0.03 -1.24 0.58 2.22 0.13 0.00 0.00 175.17 176.89 1y5i n PHE 773 N -0.42 0.00 -4.24 -5.34 -1.74 -1.26 -0.85 117.46 103.60 1y5i n PHE 773 Ca -0.05 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.64 1y5i n PHE 773 Cb 0.60 -0.09 -0.12 0.00 1.52 0.00 0.00 39.48 41.40 1y5i n PHE 773 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 1y5i s ARG 774 N -2.61 1.00 -0.85 3.97 1.70 -1.26 -1.01 118.95 119.89 1y5i s ARG 774 Ca 0.03 -1.12 -0.25 0.00 -0.47 0.00 0.00 55.73 53.92 1y5i s ARG 774 Cb 0.11 -1.08 0.04 0.00 -0.57 0.00 0.00 34.95 33.45 1y5i s ARG 774 CO 0.64 0.24 1.36 -1.17 -1.08 0.00 0.00 175.30 175.29 1y5i s LEU 775 N -2.00 3.30 0.80 -1.89 0.20 -0.85 -4.82 118.68 113.42 1y5i s LEU 775 Ca 0.04 -0.85 -0.10 0.00 0.69 0.00 0.00 54.13 53.91 1y5i s LEU 775 Cb -0.09 -2.56 0.11 0.00 -0.43 0.00 0.00 46.19 43.22 1y5i s LEU 775 CO 0.03 -1.72 1.13 -0.94 -0.29 0.00 0.00 176.35 174.57 1y5i s SER 776 N 4.33 4.21 0.33 3.68 1.04 -1.26 -4.86 113.70 121.17 1y5i s SER 776 Ca 0.40 0.37 0.01 0.00 0.48 0.00 0.00 55.95 57.22 1y5i s SER 776 Cb -0.05 -0.78 0.59 0.00 0.10 0.00 0.00 66.02 65.88 1y5i s SER 776 CO 0.05 -2.02 1.98 0.28 0.98 0.00 0.00 173.24 174.51 1y5i h SER 777 N -0.98 0.80 -0.45 7.02 0.02 -1.93 -0.50 113.55 117.54 1y5i h SER 777 Ca -0.44 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.46 1y5i h SER 777 Cb 1.29 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 1y5i h SER 777 CO 0.53 0.56 0.11 0.74 -1.14 0.00 0.00 176.83 177.63 1y5i h THR 778 N 0.94 1.23 -0.95 -2.27 2.02 -1.87 -2.70 112.91 109.31 1y5i h THR 778 Ca 0.29 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1y5i h THR 778 Cb -0.00 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 1y5i h THR 778 CO -0.08 0.29 0.63 0.00 0.37 0.00 0.00 175.52 176.73 1y5i h LEU 780 N 1.29 0.00 -2.56 0.00 5.85 -0.79 -1.72 115.31 117.37 1y5i h LEU 780 Ca 0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1y5i h LEU 780 Cb -0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1y5i h LEU 780 CO -0.08 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.80 1y5i n TYR 781 N -4.12 0.63 -2.53 1.25 4.02 -0.69 -2.46 117.16 113.26 1y5i n TYR 781 Ca 0.02 -0.39 -0.23 0.00 -0.01 0.00 0.00 57.90 57.30 1y5i n TYR 781 Cb 0.33 -0.01 0.04 0.00 -0.02 0.00 0.00 39.34 39.68 1y5i n TYR 781 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1y5i s SER 782 N -1.14 5.25 -0.11 7.72 0.01 -0.65 -4.49 113.70 120.28 1y5i s SER 782 Ca 0.37 0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.89 1y5i s SER 782 Cb 0.20 -1.11 -0.24 0.00 0.21 0.00 0.00 66.02 65.08 1y5i s SER 782 CO 0.27 -1.21 0.38 0.47 0.41 0.00 0.00 173.24 173.57 1y5i n ASP 783 N -2.50 1.50 -3.89 2.44 8.00 -0.65 -4.77 116.55 116.67 1y5i n ASP 783 Ca 0.07 0.23 -0.17 0.00 0.71 0.00 0.00 54.79 55.62 1y5i n ASP 783 Cb 0.59 -0.38 -0.16 0.00 -0.02 0.00 0.00 41.12 41.16 1y5i n ASP 783 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1y5i s ILE 784 N -2.56 0.36 -0.12 0.53 1.01 -1.12 -1.07 121.20 118.23 1y5i s ILE 784 Ca -0.16 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1y5i s ILE 784 Cb 0.07 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.17 1y5i s ILE 784 CO 0.78 0.15 -0.22 -0.63 0.00 0.00 0.00 174.94 175.02 1y5i s ILE 785 N 0.56 2.16 -0.19 2.92 1.01 -0.42 -1.92 121.20 125.33 1y5i s ILE 785 Ca -0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 1y5i s ILE 785 Cb -0.10 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 1y5i s ILE 785 CO -0.01 0.55 -0.06 -0.76 0.00 0.00 0.00 174.94 174.67 1y5i s LEU 786 N 0.53 2.94 -0.06 2.97 1.43 -0.42 -0.90 118.68 125.17 1y5i s LEU 786 Ca -0.14 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 1y5i s LEU 786 Cb -0.17 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1y5i s LEU 786 CO 0.05 0.06 1.33 -2.16 0.23 0.00 0.00 176.35 175.85 1y5i s PRO 787 N 1.00 4.28 0.23 1.29 0.04 -1.26 -2.10 135.00 138.48 1y5i s PRO 787 Ca 0.00 1.82 0.07 0.00 0.04 0.00 0.00 61.00 62.93 1y5i s PRO 787 Cb -0.15 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 1y5i s PRO 787 CO 0.00 -0.59 0.13 -0.08 0.04 0.00 0.00 177.00 176.50 1y5i s THR 788 N 2.73 4.18 0.34 1.26 -1.32 -0.03 -2.11 115.64 120.68 1y5i s THR 788 Ca 0.60 -1.47 -0.28 0.00 -1.21 0.00 0.00 61.69 59.33 1y5i s THR 788 Cb -0.27 -3.22 -0.09 0.00 -1.51 0.00 0.00 72.50 67.40 1y5i s THR 788 CO 0.22 -0.30 1.19 0.00 -2.21 0.00 0.00 174.62 173.52 1y5i s ALA 789 N -2.08 3.35 1.03 11.08 0.00 -0.17 -4.32 121.76 130.65 1y5i s ALA 789 Ca 0.32 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 1y5i s ALA 789 Cb -0.08 -3.39 0.21 0.00 0.00 0.00 0.00 23.12 19.85 1y5i s ALA 789 CO 0.23 -0.44 1.16 0.95 0.00 0.00 0.00 175.76 177.66 1y5i s THR 790 N -1.24 1.87 -0.49 0.00 -4.23 -1.26 -4.88 115.64 105.40 1y5i s THR 790 Ca 0.50 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.22 1y5i s THR 790 Cb -0.34 -2.67 0.22 0.00 1.34 0.00 0.00 72.50 71.05 1y5i s THR 790 CO 0.44 0.00 1.65 0.79 -0.54 0.00 0.00 174.62 176.96 1y5i n TRP 791 N -4.16 0.68 0.11 3.99 8.01 -1.26 -1.27 117.44 123.54 1y5i n TRP 791 Ca 0.10 0.29 0.11 0.00 -1.31 0.00 0.00 57.50 56.69 1y5i n TRP 791 Cb 0.59 -0.96 0.28 0.00 -2.01 0.00 0.00 31.31 29.20 1y5i n TRP 791 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1y5i n TYR 792 N -2.14 0.73 -1.41 -5.99 0.53 -1.26 -4.22 117.16 103.41 1y5i n TYR 792 Ca 0.01 -0.37 0.06 0.00 -1.02 0.00 0.00 57.90 56.59 1y5i n TYR 792 Cb 0.17 0.00 0.09 0.00 -1.03 0.00 0.00 39.34 38.58 1y5i n TYR 792 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 1y5i n GLU 793 N 1.38 0.84 -3.47 -0.72 1.02 -0.40 0.02 120.64 119.30 1y5i n GLU 793 Ca 0.21 -2.05 -0.11 0.00 -0.02 0.00 0.00 57.16 55.19 1y5i n GLU 793 Cb 0.55 -1.15 -0.02 0.00 -0.02 0.00 0.00 31.44 30.81 1y5i n GLU 793 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1y5i s LYS 794 N -1.88 1.31 -0.06 3.49 -2.85 -1.24 -4.22 119.74 114.30 1y5i s LYS 794 Ca 0.21 -0.53 -0.10 0.00 -1.00 0.00 0.00 55.97 54.55 1y5i s LYS 794 Cb 0.19 0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 36.49 1y5i s LYS 794 CO 0.02 -0.57 0.26 -0.51 0.10 0.00 0.00 175.35 174.65 1y5i s ASP 795 N -2.77 6.57 0.06 0.03 1.01 -1.26 -2.39 116.67 117.92 1y5i s ASP 795 Ca 0.02 0.68 -0.22 0.00 0.71 0.00 0.00 52.55 53.74 1y5i s ASP 795 Cb -0.01 -2.15 0.08 0.00 1.01 0.00 0.00 42.92 41.85 1y5i s ASP 795 CO -0.11 0.36 1.03 -0.67 0.21 0.00 0.00 175.17 175.99 1y5i n ASP 796 N 1.82 -1.26 -4.29 0.27 4.64 -0.65 -4.81 116.55 112.28 1y5i n ASP 796 Ca -0.17 -1.47 -0.16 0.00 -1.38 0.00 0.00 54.79 51.62 1y5i n ASP 796 Cb 0.54 2.00 -0.10 0.00 -1.04 0.00 0.00 41.12 42.52 1y5i n ASP 796 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 1y5i s MET 797 N -2.03 1.18 -0.10 -0.67 -1.94 -1.26 -0.10 119.30 114.37 1y5i s MET 797 Ca 0.24 -1.52 -0.09 0.00 -1.71 0.00 0.00 55.69 52.61 1y5i s MET 797 Cb -0.01 -0.78 0.03 0.00 2.01 0.00 0.00 34.83 36.07 1y5i s MET 797 CO 0.02 0.09 0.27 1.21 -0.01 0.00 0.00 175.02 176.60 1y5i s ASN 798 N -3.23 -0.28 0.17 3.03 3.84 -0.49 -2.53 114.94 115.44 1y5i s ASN 798 Ca 0.20 0.55 -0.01 0.00 0.21 0.00 0.00 52.86 53.80 1y5i s ASN 798 Cb 0.02 0.54 -0.04 0.00 -0.55 0.00 0.00 41.25 41.22 1y5i s ASN 798 CO 0.03 -0.10 0.11 0.42 -2.79 0.00 0.00 177.10 174.77 1y5i s THR 799 N 0.29 0.05 0.15 -5.21 -4.23 -0.83 -2.76 115.64 103.10 1y5i s THR 799 Ca -0.01 -1.93 -0.13 0.00 -1.18 0.00 0.00 61.69 58.44 1y5i s THR 799 Cb -0.03 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.56 1y5i s THR 799 CO -0.01 -0.23 0.36 -0.55 -0.54 0.00 0.00 174.62 173.65 1y5i s SER 800 N -3.10 -0.09 0.47 3.99 0.15 -1.23 -4.53 113.70 109.36 1y5i s SER 800 Ca 0.31 -0.62 0.25 0.00 0.70 0.00 0.00 55.95 56.60 1y5i s SER 800 Cb 0.07 0.47 1.06 0.00 -1.71 0.00 0.00 66.02 65.91 1y5i s SER 800 CO 0.07 -0.91 1.88 0.44 1.20 0.00 0.00 173.24 175.93 1y5i h ASP 801 N 2.44 0.00 0.29 5.45 5.19 -1.85 -3.30 116.42 124.65 1y5i h ASP 801 Ca -0.32 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.95 1y5i h ASP 801 Cb 1.24 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1y5i h ASP 801 CO 0.46 0.19 -0.58 0.24 -3.12 0.00 0.00 179.24 176.43 1y5i h MET 802 N 0.00 0.29 -4.40 3.56 2.86 -1.90 -3.39 114.93 111.96 1y5i h MET 802 Ca -0.00 -0.19 -0.20 0.00 -2.06 0.00 0.00 59.70 57.24 1y5i h MET 802 Cb 0.65 0.03 -0.14 0.00 0.06 0.00 0.00 31.60 32.20 1y5i h MET 802 CO 0.02 0.79 -0.53 -3.38 1.06 0.00 0.00 176.91 174.87 1y5i s HIS 803 N -3.83 0.97 -0.36 -0.22 -3.43 -1.24 -1.25 115.29 105.93 1y5i s HIS 803 Ca -0.05 -1.24 0.11 0.00 -0.80 0.00 0.00 55.06 53.08 1y5i s HIS 803 Cb 0.12 -0.42 0.69 0.00 -1.43 0.00 0.00 32.58 31.54 1y5i s HIS 803 CO 0.80 -0.68 1.61 -0.35 -2.00 0.00 0.00 174.74 174.12 1y5i n PRO 804 N -0.26 4.02 -3.83 -0.38 -0.04 -1.26 -4.42 135.00 128.83 1y5i n PRO 804 Ca 0.00 -2.70 -0.36 0.00 -0.04 0.00 0.00 63.50 60.41 1y5i n PRO 804 Cb 0.65 -2.14 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 1y5i n PRO 804 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1y5i s PHE 805 N -2.57 3.60 -0.11 0.54 0.40 -1.26 -1.13 117.98 117.45 1y5i s PHE 805 Ca 0.47 0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 57.34 1y5i s PHE 805 Cb 0.37 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 1y5i s PHE 805 CO 0.13 0.69 -0.07 -1.50 0.70 0.00 0.00 175.22 175.17 1y5i s ILE 806 N -1.15 3.67 0.21 0.64 2.07 -0.34 -4.55 121.20 121.74 1y5i s ILE 806 Ca 0.21 -0.46 -0.09 0.00 -1.41 0.00 0.00 60.65 58.89 1y5i s ILE 806 Cb -0.13 -2.55 -0.01 0.00 0.13 0.00 0.00 42.46 39.90 1y5i s ILE 806 CO 0.10 0.55 0.35 -1.38 -1.91 0.00 0.00 174.94 172.65 1y5i s HIS 807 N -0.20 0.51 0.28 3.50 -3.43 -1.11 -2.61 115.29 112.23 1y5i s HIS 807 Ca 0.03 -0.85 0.07 0.00 -0.80 0.00 0.00 55.06 53.51 1y5i s HIS 807 Cb -0.13 -0.03 -0.03 0.00 -1.43 0.00 0.00 32.58 30.96 1y5i s HIS 807 CO 0.03 -0.83 0.27 -1.25 -2.00 0.00 0.00 174.74 170.96 1y5i s PRO 808 N -4.02 2.99 -0.03 -0.38 0.04 -1.26 -1.40 135.00 130.94 1y5i s PRO 808 Ca 0.23 -1.05 -0.12 0.00 0.04 0.00 0.00 61.00 60.11 1y5i s PRO 808 Cb 0.02 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 1y5i s PRO 808 CO 0.06 0.30 0.32 -0.51 0.04 0.00 0.00 177.00 177.22 1y5i s LEU 809 N -3.93 4.43 0.05 -3.56 1.02 0.85 -3.10 118.68 114.44 1y5i s LEU 809 Ca 0.36 0.78 0.01 0.00 0.02 0.00 0.00 54.13 55.30 1y5i s LEU 809 Cb -0.08 -2.47 -0.03 0.00 0.02 0.00 0.00 46.19 43.63 1y5i s LEU 809 CO 0.27 0.33 -0.06 -0.44 0.02 0.00 0.00 176.35 176.47 1y5i s SER 810 N -1.16 0.68 -0.39 2.29 0.01 -1.01 -1.63 113.70 112.49 1y5i s SER 810 Ca 0.22 -0.68 -0.26 0.00 1.31 0.00 0.00 55.95 56.54 1y5i s SER 810 Cb -0.15 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.19 1y5i s SER 810 CO 0.11 -0.33 0.95 0.00 0.41 0.00 0.00 173.24 174.37 1y5i s ALA 811 N -2.16 3.36 0.17 1.44 0.00 -1.14 -4.02 121.76 119.41 1y5i s ALA 811 Ca -0.05 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.44 1y5i s ALA 811 Cb -0.05 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.51 1y5i s ALA 811 CO -0.02 -1.73 1.40 0.00 0.00 0.00 0.00 175.76 175.41 1y5i h ALA 812 N 8.62 0.57 -2.60 0.00 0.00 -0.74 -3.46 119.26 121.65 1y5i h ALA 812 Ca -0.23 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 53.90 1y5i h ALA 812 Cb 1.08 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.64 1y5i h ALA 812 CO 1.00 0.89 -0.20 0.08 0.00 0.00 0.00 179.25 181.02 1y5i s VAL 813 N -3.28 0.09 0.50 0.00 1.01 -1.24 -5.05 120.40 112.43 1y5i s VAL 813 Ca -0.03 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 1y5i s VAL 813 Cb 0.10 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.33 1y5i s VAL 813 CO 0.82 -0.40 1.22 0.47 0.00 0.00 0.00 175.10 177.22 1y5i n ASP 814 N 0.23 2.15 -4.57 3.32 8.00 -1.26 -4.50 116.55 119.92 1y5i n ASP 814 Ca -0.17 1.00 -0.48 0.00 0.71 0.00 0.00 54.79 55.85 1y5i n ASP 814 Cb 0.61 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.19 1y5i n ASP 814 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1y5i n PRO 815 N -0.49 1.10 -1.46 -0.24 -0.02 -1.26 -4.92 135.00 127.71 1y5i n PRO 815 Ca 0.09 0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 61.65 1y5i n PRO 815 Cb 0.43 -1.81 0.06 0.00 -0.02 0.00 0.00 33.50 32.16 1y5i n PRO 815 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y5i s ALA 816 N -0.49 2.54 0.00 3.55 0.00 -1.26 -4.67 121.76 121.43 1y5i s ALA 816 Ca 0.69 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1y5i s ALA 816 Cb -0.83 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1y5i s ALA 816 CO 0.55 -1.41 0.00 0.91 0.00 0.00 0.00 175.76 175.81 1y5i n TRP 817 N -3.27 0.00 -0.76 0.00 8.01 -1.26 -1.69 117.44 118.47 1y5i n TRP 817 Ca 0.08 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.35 1y5i n TRP 817 Cb 0.53 0.00 0.31 0.00 -2.01 0.00 0.00 31.31 30.15 1y5i n TRP 817 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1y5i n GLU 818 N 14.00 3.65 -1.71 -0.99 1.02 -0.26 -5.00 120.64 131.35 1y5i n GLU 818 Ca 0.00 -2.84 -0.34 0.00 -0.02 0.00 0.00 57.16 53.96 1y5i n GLU 818 Cb 0.00 -1.89 0.06 0.00 -0.02 0.00 0.00 31.44 29.59 1y5i n GLU 818 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y5i s ALA 819 N -2.29 2.35 0.04 0.62 0.00 -0.68 -4.87 121.76 116.93 1y5i s ALA 819 Ca 0.46 0.80 -0.00 0.00 0.00 0.00 0.00 51.96 53.21 1y5i s ALA 819 Cb 0.33 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1y5i s ALA 819 CO 0.16 -1.47 -0.04 0.15 0.00 0.00 0.00 175.76 174.57 1y5i s LYS 820 N -3.81 0.48 0.86 0.00 1.02 -0.89 -4.73 119.74 112.67 1y5i s LYS 820 Ca 0.72 -0.90 -0.11 0.00 0.02 0.00 0.00 55.97 55.71 1y5i s LYS 820 Cb -0.26 0.08 0.11 0.00 -0.52 0.00 0.00 37.83 37.24 1y5i s LYS 820 CO 0.40 -0.06 1.11 -1.54 -0.92 0.00 0.00 175.35 174.34 1y5i s SER 821 N -2.13 3.59 0.22 2.83 1.04 -1.26 -1.00 113.70 116.99 1y5i s SER 821 Ca -0.05 1.88 -0.09 0.00 0.48 0.00 0.00 55.95 58.17 1y5i s SER 821 Cb -0.02 -2.47 0.21 0.00 0.10 0.00 0.00 66.02 63.84 1y5i s SER 821 CO -0.04 -2.63 1.87 0.44 0.98 0.00 0.00 173.24 173.86 1y5i h ASP 822 N -1.54 0.86 -0.37 7.02 3.32 -1.91 -0.61 116.42 123.19 1y5i h ASP 822 Ca -0.45 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.63 1y5i h ASP 822 Cb 1.26 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 1y5i h ASP 822 CO 0.48 0.60 0.13 -0.25 -1.72 0.00 0.00 179.24 178.48 1y5i h TRP 823 N 1.01 0.23 -0.08 4.55 2.91 -1.85 -1.97 115.95 120.75 1y5i h TRP 823 Ca 0.31 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.23 1y5i h TRP 823 Cb -0.03 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.56 1y5i h TRP 823 CO -0.03 0.09 -0.46 0.93 -1.03 0.00 0.00 178.44 177.94 1y5i h GLU 824 N 0.28 0.20 0.12 2.65 4.39 -1.82 -0.97 114.58 119.44 1y5i h GLU 824 Ca 0.17 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1y5i h GLU 824 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1y5i h GLU 824 CO -0.17 0.63 -0.06 0.82 -1.16 0.00 0.00 179.01 179.07 1y5i h ILE 825 N 0.16 1.01 -0.09 3.13 2.04 -0.73 -1.45 117.51 121.58 1y5i h ILE 825 Ca 0.01 -0.50 -0.11 0.00 1.00 0.00 0.00 64.86 65.26 1y5i h ILE 825 Cb 0.89 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1y5i h ILE 825 CO 0.07 0.12 -0.43 1.88 0.00 0.00 0.00 178.15 179.79 1y5i h TYR 826 N -0.39 0.23 -0.38 1.37 0.05 -1.38 -0.93 116.97 115.53 1y5i h TYR 826 Ca -0.02 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 1y5i h TYR 826 Cb 0.32 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1y5i h TYR 826 CO 0.00 0.60 0.22 -0.22 -1.05 0.00 0.00 178.16 177.71 1y5i h LYS 827 N 0.16 0.53 -0.30 4.88 3.64 -1.09 0.24 116.57 124.64 1y5i h LYS 827 Ca 0.01 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 1y5i h LYS 827 Cb 0.83 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1y5i h LYS 827 CO 0.06 0.43 -0.21 0.00 -2.27 0.00 0.00 179.45 177.46 1y5i h ALA 828 N 1.08 1.09 -0.34 5.00 0.00 -0.89 -0.44 119.26 124.75 1y5i h ALA 828 Ca 0.14 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1y5i h ALA 828 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1y5i h ALA 828 CO -0.02 0.56 -0.14 0.82 0.00 0.00 0.00 179.25 180.47 1y5i h ILE 829 N 0.49 1.28 -0.70 0.00 2.04 -0.82 -1.19 117.51 118.62 1y5i h ILE 829 Ca 0.08 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.71 1y5i h ILE 829 Cb 0.64 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1y5i h ILE 829 CO 0.05 0.40 0.46 0.00 0.00 0.00 0.00 178.15 179.06 1y5i h ALA 830 N 0.79 1.51 -0.27 1.87 0.00 -0.18 0.64 119.26 123.62 1y5i h ALA 830 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1y5i h ALA 830 Cb 0.66 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1y5i h ALA 830 CO 0.04 0.45 -0.16 -0.22 0.00 0.00 0.00 179.25 179.37 1y5i h LYS 831 N 0.94 0.58 -0.44 0.00 3.64 -0.82 -1.84 116.57 118.63 1y5i h LYS 831 Ca 0.26 -0.27 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1y5i h LYS 831 Cb -0.10 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1y5i h LYS 831 CO -0.06 0.84 -0.26 -0.22 -2.27 0.00 0.00 179.45 177.49 1y5i h LYS 832 N 0.31 0.94 -0.40 1.90 1.63 -0.76 -3.00 116.57 117.19 1y5i h LYS 832 Ca 0.06 -0.42 0.04 0.00 -0.85 0.00 0.00 60.65 59.48 1y5i h LYS 832 Cb 0.68 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 1y5i h LYS 832 CO 0.05 1.08 0.15 0.35 -3.45 0.00 0.00 179.45 177.63 1y5i h PHE 833 N 0.80 0.27 -0.35 1.91 3.57 -0.84 0.82 116.94 123.13 1y5i h PHE 833 Ca 0.10 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.68 1y5i h PHE 833 Cb 0.83 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1y5i h PHE 833 CO 0.05 0.11 0.24 0.77 -2.23 0.00 0.00 178.31 177.26 1y5i h SER 834 N 0.32 0.18 0.14 0.41 0.02 -1.20 0.12 113.55 113.54 1y5i h SER 834 Ca 0.18 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.79 1y5i h SER 834 Cb 0.15 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1y5i h SER 834 CO -0.17 0.12 -1.83 1.05 -1.14 0.00 0.00 176.83 174.86 1y5i h GLU 835 N 0.21 0.29 0.00 3.45 4.11 -1.30 -3.38 114.58 117.96 1y5i h GLU 835 Ca 0.16 -0.49 -0.05 0.00 0.07 0.00 0.00 59.36 59.05 1y5i h GLU 835 Cb 0.36 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1y5i h GLU 835 CO -0.03 1.23 -0.25 0.28 0.07 0.00 0.00 179.01 180.31 1y5i h VAL 836 N -0.02 0.94 0.00 -1.06 2.07 -0.49 -3.01 116.25 114.68 1y5i h VAL 836 Ca -0.39 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1y5i h VAL 836 Cb 1.98 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1y5i h VAL 836 CO 0.09 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.93 1y5i n VAL 838 N -2.23 0.42 -0.06 0.00 0.31 -1.14 -0.38 118.33 115.26 1y5i n VAL 838 Ca 0.05 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1y5i n VAL 838 Cb 0.41 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 1y5i n VAL 838 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y5i n GLY 839 N 4.16 0.76 0.22 2.92 0.00 -1.26 -4.82 105.19 107.18 1y5i n GLY 839 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 1y5i n GLY 839 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y5i n HIS 840 N -2.00 0.00 -4.13 1.61 8.25 0.49 -5.03 115.22 114.42 1y5i n HIS 840 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 1y5i n HIS 840 Cb 0.00 -0.13 -0.15 0.00 1.12 0.00 0.00 29.99 30.83 1y5i n HIS 840 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1y5i s LEU 841 N -5.43 1.69 0.00 2.41 1.43 -0.05 -4.98 118.68 113.75 1y5i s LEU 841 Ca -0.05 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1y5i s LEU 841 Cb 0.01 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.93 1y5i s LEU 841 CO 0.07 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1y5i n GLY 842 N 3.43 2.98 3.53 -3.19 0.00 -1.26 -4.43 105.19 106.25 1y5i n GLY 842 Ca -0.19 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1y5i n GLY 842 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y5i s LYS 843 N 3.82 3.36 0.33 1.61 1.02 -1.26 -1.82 119.74 126.81 1y5i s LYS 843 Ca 0.00 -0.21 0.08 0.00 0.02 0.00 0.00 55.97 55.86 1y5i s LYS 843 Cb 0.00 -4.02 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 1y5i s LYS 843 CO 0.00 -1.39 0.22 -1.21 -0.92 0.00 0.00 175.35 172.05 1y5i s GLU 844 N 3.78 2.57 -0.14 1.68 0.41 0.15 -4.95 118.70 122.19 1y5i s GLU 844 Ca 0.31 -1.40 0.02 0.00 -0.41 0.00 0.00 54.97 53.49 1y5i s GLU 844 Cb -0.12 -2.34 0.01 0.00 -1.78 0.00 0.00 34.13 29.90 1y5i s GLU 844 CO 0.20 0.11 -0.22 0.99 -0.49 0.00 0.00 175.26 175.86 1y5i s THR 845 N -2.35 2.04 -0.08 3.63 2.01 -1.26 -0.90 115.64 118.72 1y5i s THR 845 Ca 0.39 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1y5i s THR 845 Cb -0.04 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 1y5i s THR 845 CO 0.25 0.54 -0.11 -0.62 -0.69 0.00 0.00 174.62 173.99 1y5i s ASP 846 N 0.87 4.22 -0.28 3.53 -1.08 0.52 -4.41 116.67 120.05 1y5i s ASP 846 Ca -0.06 -0.18 -0.11 0.00 -0.52 0.00 0.00 52.55 51.68 1y5i s ASP 846 Cb -0.15 -1.19 -0.05 0.00 -1.46 0.00 0.00 42.92 40.08 1y5i s ASP 846 CO -0.03 0.29 0.18 -0.63 0.52 0.00 0.00 175.17 175.50 1y5i s ILE 847 N -0.39 5.22 -0.14 4.11 -1.09 -0.81 -0.44 121.20 127.65 1y5i s ILE 847 Ca 0.05 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.61 1y5i s ILE 847 Cb -0.12 -3.49 0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1y5i s ILE 847 CO 0.02 0.24 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.08 1y5i s VAL 848 N 1.74 2.19 0.37 2.92 1.01 0.68 -4.81 120.40 124.51 1y5i s VAL 848 Ca 0.07 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 1y5i s VAL 848 Cb -0.16 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.24 1y5i s VAL 848 CO 0.10 0.54 0.82 0.42 0.00 0.00 0.00 175.10 176.99 1y5i s THR 849 N 0.76 4.59 -0.10 3.92 -4.23 -1.26 -0.64 115.64 118.67 1y5i s THR 849 Ca -0.08 1.11 -0.04 0.00 -1.18 0.00 0.00 61.69 61.51 1y5i s THR 849 Cb -0.16 -3.62 0.05 0.00 1.34 0.00 0.00 72.50 70.12 1y5i s THR 849 CO -0.00 -0.27 0.20 -0.22 -0.54 0.00 0.00 174.62 173.78 1y5i s LEU 850 N -3.15 -0.05 0.86 4.79 2.96 -0.55 -4.94 118.68 118.60 1y5i s LEU 850 Ca 0.57 0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 54.81 1y5i s LEU 850 Cb -0.10 0.47 0.11 0.00 0.50 0.00 0.00 46.19 47.17 1y5i s LEU 850 CO 0.17 -0.23 1.10 -2.16 -1.32 0.00 0.00 176.35 173.92 1y5i s PRO 851 N 2.16 1.55 0.05 0.98 0.04 -1.26 -0.18 135.00 138.34 1y5i s PRO 851 Ca 0.00 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 1y5i s PRO 851 Cb -0.12 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 1y5i s PRO 851 CO -0.07 -2.14 1.79 0.42 0.04 0.00 0.00 177.00 177.04 1y5i s ILE 852 N -2.83 3.02 -0.07 0.56 1.01 -0.03 -4.74 121.20 118.13 1y5i s ILE 852 Ca 0.63 0.29 -0.16 0.00 0.00 0.00 0.00 60.65 61.41 1y5i s ILE 852 Cb -0.19 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 1y5i s ILE 852 CO 0.57 -0.01 0.43 -1.10 0.00 0.00 0.00 174.94 174.83 1y5i s GLN 853 N 3.46 4.17 0.65 2.79 -1.52 -1.26 -2.49 119.66 125.45 1y5i s GLN 853 Ca 0.80 0.41 -0.17 0.00 -1.95 0.00 0.00 55.36 54.44 1y5i s GLN 853 Cb -0.41 -3.35 -0.01 0.00 -0.22 0.00 0.00 33.01 29.03 1y5i s GLN 853 CO 0.35 0.39 1.22 -1.58 -0.25 0.00 0.00 175.29 175.42 1y5i s HIS 854 N -0.11 2.24 -1.32 0.91 5.65 0.80 -2.74 115.29 120.72 1y5i s HIS 854 Ca 0.24 1.53 0.00 0.00 0.25 0.00 0.00 55.06 57.09 1y5i s HIS 854 Cb -0.16 -3.51 0.00 0.00 -1.18 0.00 0.00 32.58 27.74 1y5i s HIS 854 CO 0.11 -2.45 0.00 -0.25 -0.65 0.00 0.00 174.74 171.50 1y5i n ASP 855 N -2.02 -4.46 -4.13 9.88 8.00 -1.26 -4.92 116.55 117.63 1y5i n ASP 855 Ca 0.14 0.14 -0.12 0.00 0.71 0.00 0.00 54.79 55.65 1y5i n ASP 855 Cb 0.50 -3.44 -0.11 0.00 -0.02 0.00 0.00 41.12 38.05 1y5i n ASP 855 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1y5i s SER 856 N -2.57 1.11 0.39 -2.24 1.04 -1.11 -3.26 113.70 107.05 1y5i s SER 856 Ca 0.00 -0.81 0.13 0.00 0.48 0.00 0.00 55.95 55.75 1y5i s SER 856 Cb 0.00 0.06 0.94 0.00 0.10 0.00 0.00 66.02 67.12 1y5i s SER 856 CO 0.00 -0.34 1.87 0.00 0.98 0.00 0.00 173.24 175.76 1y5i h ALA 857 N 3.61 1.99 0.00 5.32 0.00 -1.96 -0.64 119.26 127.59 1y5i h ALA 857 Ca -0.36 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1y5i h ALA 857 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1y5i h ALA 857 CO 0.54 -0.24 0.03 0.00 0.00 0.00 0.00 179.25 179.58 1y5i n ALA 858 N -2.47 0.99 0.26 0.00 0.00 -1.26 -2.20 120.51 115.81 1y5i n ALA 858 Ca 0.17 0.16 0.17 0.00 0.00 0.00 0.00 53.44 53.95 1y5i n ALA 858 Cb 0.55 -1.21 0.90 0.00 0.00 0.00 0.00 19.45 19.70 1y5i n ALA 858 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1y5i h GLU 859 N 0.00 0.00 -2.61 0.00 4.11 -1.20 -2.91 114.58 111.97 1y5i h GLU 859 Ca 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.36 58.72 1y5i h GLU 859 Cb 0.07 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.21 1y5i h GLU 859 CO 0.00 0.00 2.40 1.28 0.07 0.00 0.00 179.01 182.76 1y5i n LEU 860 N -2.68 7.99 0.00 3.06 4.32 -0.94 -0.97 117.00 127.79 1y5i n LEU 860 Ca -0.02 -4.75 0.00 0.00 -0.02 0.00 0.00 56.01 51.22 1y5i n LEU 860 Cb 0.06 -1.37 0.00 0.00 -1.62 0.00 0.00 43.42 40.49 1y5i n LEU 860 CO 0.15 2.04 0.00 0.00 -1.22 0.00 0.00 177.39 178.36 1y5i n ALA 861 N 1.88 0.00 -3.74 -1.18 0.00 -1.10 -4.82 120.51 111.55 1y5i n ALA 861 Ca 0.63 -0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.65 1y5i n ALA 861 Cb 0.27 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.62 1y5i n ALA 861 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y5i s GLN 862 N -0.81 2.22 0.27 0.00 -0.21 -1.02 -4.92 119.66 115.20 1y5i s GLN 862 Ca 0.00 -2.05 0.05 0.00 0.02 0.00 0.00 55.36 53.38 1y5i s GLN 862 Cb 0.00 -3.66 0.38 0.00 1.00 0.00 0.00 33.01 30.72 1y5i s GLN 862 CO 0.00 -1.12 1.66 -1.00 -2.12 0.00 0.00 175.29 172.71 1y5i h PRO 863 N 7.75 0.30 0.00 2.91 0.13 -1.87 -3.40 132.00 137.82 1y5i h PRO 863 Ca -0.10 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1y5i h PRO 863 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1y5i h PRO 863 CO 0.72 0.69 -0.56 1.28 -0.23 0.00 0.00 178.00 179.89 1y5i n LEU 864 N -4.00 0.00 0.00 1.56 7.99 -1.26 -5.02 117.00 116.27 1y5i n LEU 864 Ca -0.02 -0.20 -0.01 0.00 -0.01 0.00 0.00 56.01 55.77 1y5i n LEU 864 Cb 0.51 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.83 1y5i n LEU 864 CO 0.43 0.00 0.16 -0.90 -1.51 0.00 0.00 177.39 175.57 1y5i n ASP 865 N -1.24 -0.47 -4.24 -1.43 5.68 -1.26 -4.87 116.55 108.71 1y5i n ASP 865 Ca 0.00 -1.29 -0.34 0.00 -0.50 0.00 0.00 54.79 52.66 1y5i n ASP 865 Cb 0.00 0.77 -0.15 0.00 -1.14 0.00 0.00 41.12 40.60 1y5i n ASP 865 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1y5i s VAL 866 N -2.61 2.93 -0.13 2.12 1.01 -1.26 -4.84 120.40 117.63 1y5i s VAL 866 Ca 0.05 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1y5i s VAL 866 Cb -0.01 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1y5i s VAL 866 CO 0.02 0.45 -0.18 -0.54 0.00 0.00 0.00 175.10 174.85 1y5i s LYS 867 N 1.41 3.20 -0.38 2.72 1.02 -1.26 -5.10 119.74 121.35 1y5i s LYS 867 Ca 0.05 -0.78 -0.12 0.00 0.02 0.00 0.00 55.97 55.14 1y5i s LYS 867 Cb -0.14 -2.50 0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1y5i s LYS 867 CO -0.06 0.13 0.24 0.34 -0.92 0.00 0.00 175.35 175.07 1y5i s ASP 868 N 0.51 5.87 0.47 2.83 -1.08 -1.26 -4.89 116.67 119.12 1y5i s ASP 868 Ca -0.12 -0.86 0.13 0.00 -0.52 0.00 0.00 52.55 51.18 1y5i s ASP 868 Cb -0.16 -2.08 1.07 0.00 -1.46 0.00 0.00 42.92 40.29 1y5i s ASP 868 CO 0.05 -0.37 2.06 4.11 0.52 0.00 0.00 175.17 181.54 1y5i h TRP 869 N 8.50 0.12 0.00 -5.34 5.08 -1.83 -1.15 115.95 121.33 1y5i h TRP 869 Ca -0.27 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.68 1y5i h TRP 869 Cb 1.12 -0.04 -0.00 0.00 -3.00 0.00 0.00 29.16 27.24 1y5i h TRP 869 CO 0.58 0.15 -0.05 -0.22 -1.28 0.00 0.00 178.44 177.62 1y5i h LYS 870 N 0.12 0.00 -0.02 0.12 3.64 -1.94 -1.05 116.57 117.45 1y5i h LYS 870 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1y5i h LYS 870 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1y5i h LYS 870 CO 0.00 0.05 -0.04 1.63 -2.27 0.00 0.00 179.45 178.83 1y5i n LYS 871 N -3.21 1.69 -1.02 1.90 5.02 -0.46 -4.93 118.16 117.15 1y5i n LYS 871 Ca -0.00 -1.10 -0.01 0.00 -2.02 0.00 0.00 58.31 55.18 1y5i n LYS 871 Cb 0.28 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1y5i n LYS 871 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y5i n GLY 872 N 1.23 0.48 0.00 0.72 0.00 -0.40 -4.91 105.19 102.31 1y5i n GLY 872 Ca 0.17 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1y5i n GLY 872 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y5i n GLU 873 N -2.72 0.09 -3.73 1.61 1.02 -1.03 -4.86 120.64 111.02 1y5i n GLU 873 Ca -0.01 0.10 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 1y5i n GLU 873 Cb 0.05 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1y5i n GLU 873 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y5i s ASP 875 N -3.08 6.15 -0.67 0.00 3.68 -1.26 -4.37 116.67 117.11 1y5i s ASP 875 Ca 0.16 1.41 -0.23 0.00 2.13 0.00 0.00 52.55 56.01 1y5i s ASP 875 Cb 0.01 -2.43 0.07 0.00 -1.45 0.00 0.00 42.92 39.12 1y5i s ASP 875 CO -0.00 -0.92 1.01 -0.22 0.13 0.00 0.00 175.17 175.16 1y5i s LEU 876 N -5.20 4.23 -0.51 -1.34 0.20 -1.26 -4.74 118.68 110.06 1y5i s LEU 876 Ca 0.55 -0.94 -0.03 0.00 0.69 0.00 0.00 54.13 54.41 1y5i s LEU 876 Cb -0.11 -2.44 0.13 0.00 -0.43 0.00 0.00 46.19 43.34 1y5i s LEU 876 CO 0.54 -1.49 0.31 -0.63 -0.29 0.00 0.00 176.35 174.79 1y5i s ILE 877 N 4.27 3.44 0.13 6.68 1.01 -1.26 -4.99 121.20 130.47 1y5i s ILE 877 Ca 0.24 -2.49 -0.35 0.00 0.00 0.00 0.00 60.65 58.05 1y5i s ILE 877 Cb -0.16 -3.31 -0.16 0.00 0.01 0.00 0.00 42.46 38.85 1y5i s ILE 877 CO 0.10 -0.78 1.37 -0.81 0.00 0.00 0.00 174.94 174.83 1y5i n PRO 878 N 4.06 1.44 -0.27 2.79 -0.04 -1.26 -0.81 135.00 140.91 1y5i n PRO 878 Ca 0.02 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1y5i n PRO 878 Cb 0.39 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1y5i n PRO 878 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y5i n GLY 879 N 2.62 0.84 1.92 0.55 0.00 0.24 -4.69 105.19 106.66 1y5i n GLY 879 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1y5i n GLY 879 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y5i n LYS 880 N -2.00 0.00 -0.01 1.61 4.81 0.01 -4.86 118.16 117.72 1y5i n LYS 880 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1y5i n LYS 880 Cb 0.00 -0.04 0.01 0.00 0.02 0.00 0.00 35.03 35.02 1y5i n LYS 880 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1y5i n THR 881 N -2.57 0.85 -3.89 3.15 -2.24 -0.58 -4.46 114.28 104.54 1y5i n THR 881 Ca 0.00 -0.92 -0.08 0.00 -2.27 0.00 0.00 64.05 60.77 1y5i n THR 881 Cb 0.04 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 1y5i n THR 881 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y5i s ALA 882 N -0.86 -0.75 0.60 6.98 0.00 -1.16 -4.32 121.76 122.24 1y5i s ALA 882 Ca 0.02 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 1y5i s ALA 882 Cb 0.01 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 1y5i s ALA 882 CO 0.02 -0.97 1.04 -1.25 0.00 0.00 0.00 175.76 174.59 1y5i s PRO 883 N -3.46 3.39 0.66 0.00 0.04 -1.26 -0.60 135.00 133.77 1y5i s PRO 883 Ca 0.16 1.06 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 1y5i s PRO 883 Cb -0.04 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 1y5i s PRO 883 CO 0.10 -0.74 1.28 -1.01 0.04 0.00 0.00 177.00 176.67 1y5i s HIS 884 N -2.68 2.06 -0.21 0.56 3.76 0.75 -3.18 115.29 116.36 1y5i s HIS 884 Ca 0.61 1.50 0.01 0.00 -0.15 0.00 0.00 55.06 57.03 1y5i s HIS 884 Cb -0.14 -3.67 0.03 0.00 1.11 0.00 0.00 32.58 29.91 1y5i s HIS 884 CO 0.41 -2.89 -0.16 0.42 -0.85 0.00 0.00 174.74 171.66 1y5i s ILE 885 N -1.47 2.14 0.09 0.60 1.01 -1.26 -1.47 121.20 120.84 1y5i s ILE 885 Ca 0.82 -1.16 0.08 0.00 0.00 0.00 0.00 60.65 60.39 1y5i s ILE 885 Cb -0.36 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1y5i s ILE 885 CO 0.40 0.35 -0.17 -0.04 0.00 0.00 0.00 174.94 175.48 1y5i s MET 886 N 1.23 1.92 -0.20 2.79 -1.94 0.18 -4.95 119.30 118.33 1y5i s MET 886 Ca 0.00 -1.10 -0.07 0.00 -1.71 0.00 0.00 55.69 52.81 1y5i s MET 886 Cb -0.15 -2.17 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 1y5i s MET 886 CO -0.10 0.50 0.07 0.08 -0.01 0.00 0.00 175.02 175.56 1y5i s VAL 887 N -1.10 4.69 -0.11 -6.03 1.01 -1.26 -0.23 120.40 117.37 1y5i s VAL 887 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1y5i s VAL 887 Cb -0.11 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.16 1y5i s VAL 887 CO 0.09 0.43 -0.10 -0.69 0.00 0.00 0.00 175.10 174.83 1y5i s VAL 888 N 0.66 1.17 -0.05 2.92 1.01 0.41 -4.91 120.40 121.62 1y5i s VAL 888 Ca 0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 1y5i s VAL 888 Cb -0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1y5i s VAL 888 CO 0.02 0.39 0.66 -1.61 0.00 0.00 0.00 175.10 174.56 1y5i s GLU 889 N 1.45 4.41 -0.08 2.72 0.41 -1.26 -0.35 118.70 126.00 1y5i s GLU 889 Ca 0.01 0.82 0.05 0.00 -0.41 0.00 0.00 54.97 55.44 1y5i s GLU 889 Cb -0.13 -3.42 -0.00 0.00 -1.78 0.00 0.00 34.13 28.80 1y5i s GLU 889 CO -0.06 0.15 -0.23 1.03 -0.49 0.00 0.00 175.26 175.65 1y5i s ARG 890 N 0.53 2.74 -0.87 1.61 0.52 -0.08 -4.98 118.95 118.42 1y5i s ARG 890 Ca 0.35 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 54.66 1y5i s ARG 890 Cb -0.18 -2.16 0.22 0.00 0.52 0.00 0.00 34.95 33.36 1y5i s ARG 890 CO 0.18 0.23 0.78 0.34 0.02 0.00 0.00 175.30 176.84 1y5i s ASP 891 N 0.20 6.27 0.27 0.23 -1.08 -1.26 0.29 116.67 121.58 1y5i s ASP 891 Ca -0.13 -3.31 -0.02 0.00 -0.52 0.00 0.00 52.55 48.57 1y5i s ASP 891 Cb -0.16 -2.02 0.46 0.00 -1.46 0.00 0.00 42.92 39.73 1y5i s ASP 891 CO 0.07 -0.32 1.85 1.88 0.52 0.00 0.00 175.17 179.16 1y5i h TYR 892 N 6.71 1.09 0.00 -5.34 0.05 -1.65 -1.06 116.97 116.77 1y5i h TYR 892 Ca 0.12 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 1y5i h TYR 892 Cb 0.90 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 1y5i h TYR 892 CO 0.79 0.49 -0.03 -1.35 -1.05 0.00 0.00 178.16 177.01 1y5i h PRO 893 N 1.01 0.00 -0.30 4.88 0.11 -1.78 -2.45 132.00 133.47 1y5i h PRO 893 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1y5i h PRO 893 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1y5i h PRO 893 CO -0.22 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 177.59 1y5i n ALA 894 N -2.12 2.47 -0.22 -0.75 0.00 -0.41 -4.53 120.51 114.94 1y5i n ALA 894 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 53.44 52.77 1y5i n ALA 894 Cb 0.23 -1.01 0.12 0.00 0.00 0.00 0.00 19.45 18.79 1y5i n ALA 894 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1y5i h THR 895 N 2.66 0.43 -0.23 0.00 2.02 -1.34 0.39 112.91 116.83 1y5i h THR 895 Ca 0.00 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1y5i h THR 895 Cb 0.59 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1y5i h THR 895 CO 0.00 0.02 -0.02 0.22 0.37 0.00 0.00 175.52 176.10 1y5i h TYR 896 N 0.10 0.47 -0.00 3.16 3.20 -1.80 0.13 116.97 122.23 1y5i h TYR 896 Ca 0.35 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1y5i h TYR 896 Cb 0.58 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 1y5i h TYR 896 CO -0.40 0.63 -0.10 0.93 -1.64 0.00 0.00 178.16 177.57 1y5i h GLU 897 N 0.18 0.00 0.07 1.82 4.39 -1.65 -0.23 114.58 119.16 1y5i h GLU 897 Ca 0.06 -0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.48 1y5i h GLU 897 Cb 0.45 -0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1y5i h GLU 897 CO 0.02 0.11 -1.14 0.00 -1.16 0.00 0.00 179.01 176.84 1y5i h ARG 898 N 0.00 0.65 -0.71 2.33 3.08 -0.63 -3.16 114.38 115.95 1y5i h ARG 898 Ca 0.00 -0.79 0.05 0.00 0.07 0.00 0.00 59.98 59.31 1y5i h ARG 898 Cb 0.19 0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1y5i h ARG 898 CO 0.01 1.35 0.42 0.35 -1.07 0.00 0.00 179.97 181.04 1y5i h PHE 899 N 0.30 0.79 -0.25 3.04 3.57 -0.09 -2.39 116.94 121.91 1y5i h PHE 899 Ca -0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 1y5i h PHE 899 Cb 1.81 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 1y5i h PHE 899 CO 0.11 0.41 0.02 0.25 -2.23 0.00 0.00 178.31 176.88 1y5i n THR 900 N -4.71 1.19 -3.77 4.41 -2.24 -0.16 -4.80 114.28 104.19 1y5i n THR 900 Ca 0.09 -0.58 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 1y5i n THR 900 Cb 0.14 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 67.85 1y5i n THR 900 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1y5i s SER 901 N -0.28 -0.11 -0.38 3.42 1.04 -0.90 -0.12 113.70 116.37 1y5i s SER 901 Ca 0.22 -0.17 -0.26 0.00 0.48 0.00 0.00 55.95 56.22 1y5i s SER 901 Cb 0.17 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1y5i s SER 901 CO 0.06 -0.57 0.96 -0.63 0.98 0.00 0.00 173.24 174.04 1y5i s ILE 902 N -2.30 4.54 1.08 -1.02 1.01 0.12 -4.79 121.20 119.84 1y5i s ILE 902 Ca -0.07 1.21 -0.14 0.00 0.00 0.00 0.00 60.65 61.66 1y5i s ILE 902 Cb -0.02 -4.37 0.17 0.00 0.01 0.00 0.00 42.46 38.25 1y5i s ILE 902 CO -0.02 -0.60 0.65 0.61 0.00 0.00 0.00 174.94 175.59 1y5i n GLY 903 N 4.41 -1.88 0.05 6.18 0.00 -1.25 -4.25 105.19 108.45 1y5i n GLY 903 Ca 0.08 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.29 1y5i n GLY 903 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1y5i n PRO 904 N -3.51 0.09 0.23 1.61 -0.04 -0.96 -3.87 135.00 128.56 1y5i n PRO 904 Ca 0.04 0.23 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1y5i n PRO 904 Cb 0.56 -1.65 0.55 0.00 -0.04 0.00 0.00 33.50 32.93 1y5i n PRO 904 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1y5i h LEU 905 N 0.00 0.00 -0.99 1.53 3.38 -1.34 0.30 115.31 118.20 1y5i h LEU 905 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1y5i h LEU 905 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1y5i h LEU 905 CO 0.00 0.20 0.27 0.24 0.09 0.00 0.00 178.44 179.24 1y5i h MET 906 N 0.00 1.00 0.18 1.13 2.86 -1.73 0.23 114.93 118.60 1y5i h MET 906 Ca -0.00 -0.17 -0.27 0.00 -2.06 0.00 0.00 59.70 57.20 1y5i h MET 906 Cb 0.60 -0.17 0.02 0.00 0.06 0.00 0.00 31.60 32.11 1y5i h MET 906 CO 0.03 0.82 -1.27 0.93 1.06 0.00 0.00 176.91 178.47 1y5i h GLU 907 N 0.98 0.37 -0.16 1.72 5.08 -1.71 -2.02 114.58 118.84 1y5i h GLU 907 Ca 0.23 -0.64 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 1y5i h GLU 907 Cb 0.19 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1y5i h GLU 907 CO -0.02 1.31 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.75 1y5i h LYS 908 N -0.14 0.51 0.00 2.33 3.64 -0.85 -3.39 116.57 118.67 1y5i h LYS 908 Ca -0.24 -0.33 -0.31 0.00 -1.27 0.00 0.00 60.65 58.50 1y5i h LYS 908 Cb 1.89 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.70 1y5i h LYS 908 CO 0.17 0.94 -2.17 -0.89 -2.27 0.00 0.00 179.45 175.23 1y5i n ILE 909 N -4.34 1.18 0.00 2.00 5.41 0.74 -5.06 119.36 119.29 1y5i n ILE 909 Ca -0.06 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.24 1y5i n ILE 909 Cb 0.49 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 1y5i n ILE 909 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1y5i n GLY 910 N 2.51 -0.17 3.22 7.39 0.00 -0.68 -4.94 105.19 112.52 1y5i n GLY 910 Ca -0.37 -2.21 -0.11 0.00 0.00 0.00 0.00 46.02 43.34 1y5i n GLY 910 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1y5i s ASN 911 N -4.00 0.18 0.00 1.61 2.47 -0.74 -4.40 114.94 110.07 1y5i s ASN 911 Ca 0.00 -1.25 0.00 0.00 0.42 0.00 0.00 52.86 52.03 1y5i s ASN 911 Cb 0.00 0.37 0.00 0.00 -1.45 0.00 0.00 41.25 40.17 1y5i s ASN 911 CO 0.00 -0.82 0.00 0.61 -3.72 0.00 0.00 177.10 173.17 1y5i n GLY 912 N -0.21 -2.24 0.00 1.21 0.00 -1.26 -0.08 105.19 102.62 1y5i n GLY 912 Ca -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1y5i n GLY 912 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y5i n GLY 913 N -0.57 0.73 3.96 -0.02 0.00 -0.08 -4.89 105.19 104.32 1y5i n GLY 913 Ca 0.00 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1y5i n GLY 913 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y5i n LYS 914 N -0.24 -4.49 -0.91 1.61 4.81 -1.26 -1.90 118.16 115.77 1y5i n LYS 914 Ca 0.00 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1y5i n LYS 914 Cb 0.00 -5.33 0.00 0.00 0.02 0.00 0.00 35.03 29.72 1y5i n LYS 914 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y5i n GLY 915 N -1.53 0.88 3.33 3.14 0.00 -1.20 -5.01 105.19 104.79 1y5i n GLY 915 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1y5i n GLY 915 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1y5i s ILE 916 N -3.50 1.70 0.08 -0.61 -4.36 -0.80 -5.01 121.20 108.70 1y5i s ILE 916 Ca 0.00 -2.10 -0.03 0.00 -0.26 0.00 0.00 60.65 58.25 1y5i s ILE 916 Cb 0.00 -1.95 -0.03 0.00 1.25 0.00 0.00 42.46 41.73 1y5i s ILE 916 CO 0.00 -0.53 0.05 0.00 0.24 0.00 0.00 174.94 174.71 1y5i s ALA 917 N -2.72 0.35 0.25 2.27 0.00 -1.26 -0.90 121.76 119.75 1y5i s ALA 917 Ca 0.20 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.91 1y5i s ALA 917 Cb -0.02 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1y5i s ALA 917 CO 0.06 -0.44 0.56 1.67 0.00 0.00 0.00 175.76 177.61 1y5i s TRP 918 N -3.93 0.13 -0.03 0.00 -2.14 0.89 -4.78 118.94 109.09 1y5i s TRP 918 Ca 0.10 -0.52 -0.24 0.00 2.66 0.00 0.00 56.10 58.10 1y5i s TRP 918 Cb 0.07 0.37 -0.04 0.00 -3.10 0.00 0.00 33.47 30.77 1y5i s TRP 918 CO -0.08 -1.06 0.72 1.21 -2.66 0.00 0.00 176.95 175.08 1y5i s ASN 919 N -2.97 7.06 -0.19 -2.66 2.47 -1.26 -1.79 114.94 115.61 1y5i s ASN 919 Ca 0.17 1.28 0.13 0.00 0.42 0.00 0.00 52.86 54.86 1y5i s ASN 919 Cb -0.02 -2.43 0.43 0.00 -1.45 0.00 0.00 41.25 37.78 1y5i s ASN 919 CO 0.07 -0.06 1.21 1.07 -3.72 0.00 0.00 177.10 175.67 1y5i n THR 920 N 3.38 1.89 -0.01 -5.21 5.66 -1.26 -4.83 114.28 113.91 1y5i n THR 920 Ca -0.02 -2.99 -0.11 0.00 -3.05 0.00 0.00 64.05 57.89 1y5i n THR 920 Cb 0.51 -0.10 -0.05 0.00 -1.55 0.00 0.00 70.33 69.14 1y5i n THR 920 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1y5i h GLN 921 N 1.12 0.12 -0.23 1.09 5.75 -1.92 -2.31 115.11 118.73 1y5i h GLN 921 Ca -0.01 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1y5i h GLN 921 Cb 1.18 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 1y5i h GLN 921 CO 0.08 0.08 0.16 0.66 -2.65 0.00 0.00 178.83 177.16 1y5i h SER 922 N 0.13 0.16 -0.24 -0.69 4.64 -1.99 0.30 113.55 115.85 1y5i h SER 922 Ca 0.05 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.18 1y5i h SER 922 Cb 0.00 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1y5i h SER 922 CO -0.03 0.11 -0.53 -0.33 -0.87 0.00 0.00 176.83 175.19 1y5i h GLU 923 N 0.19 0.83 -0.25 4.77 3.07 -1.83 -1.50 114.58 119.85 1y5i h GLU 923 Ca 0.10 -0.51 -0.10 0.00 -0.50 0.00 0.00 59.36 58.35 1y5i h GLU 923 Cb 0.17 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1y5i h GLU 923 CO -0.02 1.14 -0.26 0.52 -1.40 0.00 0.00 179.01 179.00 1y5i h MET 924 N 0.64 0.49 -0.28 2.33 2.86 -0.77 -0.56 114.93 119.63 1y5i h MET 924 Ca 0.02 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1y5i h MET 924 Cb 1.12 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1y5i h MET 924 CO 0.12 0.71 0.13 -0.44 1.06 0.00 0.00 176.91 178.48 1y5i h ASP 925 N 0.43 0.38 -0.49 1.22 3.32 -0.61 -1.91 116.42 118.75 1y5i h ASP 925 Ca 0.06 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1y5i h ASP 925 Cb 0.68 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1y5i h ASP 925 CO 0.05 0.42 0.31 0.25 -1.72 0.00 0.00 179.24 178.55 1y5i h LEU 926 N 0.32 0.58 -1.87 1.55 6.46 -1.00 -2.62 115.31 118.73 1y5i h LEU 926 Ca 0.10 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1y5i h LEU 926 Cb 0.14 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1y5i h LEU 926 CO -0.01 0.45 -0.00 -0.07 -0.62 0.00 0.00 178.44 178.18 1y5i h LEU 927 N 0.66 0.06 -1.24 2.25 3.38 -0.85 -0.31 115.31 119.26 1y5i h LEU 927 Ca 0.18 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1y5i h LEU 927 Cb -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1y5i h LEU 927 CO -0.04 0.08 -0.15 0.03 0.09 0.00 0.00 178.44 178.46 1y5i h ARG 928 N 0.07 0.33 0.10 1.13 3.08 -0.95 -0.61 114.38 117.53 1y5i h ARG 928 Ca 0.02 -0.09 -0.26 0.00 0.07 0.00 0.00 59.98 59.72 1y5i h ARG 928 Cb 0.06 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1y5i h ARG 928 CO 0.00 0.49 -1.18 0.87 -1.07 0.00 0.00 179.97 179.08 1y5i h LYS 929 N 0.31 0.23 0.24 0.04 1.57 -1.08 -1.85 116.57 116.04 1y5i h LYS 929 Ca 0.06 -0.37 -0.34 0.00 -1.87 0.00 0.00 60.65 58.13 1y5i h LYS 929 Cb 0.46 0.14 0.03 0.00 0.08 0.00 0.00 32.23 32.94 1y5i h LYS 929 CO 0.03 1.17 -1.50 -0.07 -0.57 0.00 0.00 179.45 178.50 1y5i h LEU 930 N 0.07 0.81 0.00 2.94 3.38 -1.08 -3.36 115.31 118.07 1y5i h LEU 930 Ca -0.11 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.94 1y5i h LEU 930 Cb 1.90 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1y5i h LEU 930 CO 0.19 1.72 -0.94 0.59 0.09 0.00 0.00 178.44 180.09 1y5i n ASN 931 N -3.72 0.90 -0.33 -0.43 4.13 -0.25 -5.07 115.26 110.50 1y5i n ASN 931 Ca -0.18 -0.86 0.04 0.00 1.68 0.00 0.00 54.58 55.27 1y5i n ASN 931 Cb 1.09 0.90 -0.01 0.00 -1.54 0.00 0.00 39.78 40.22 1y5i n ASN 931 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1y5i n TYR 932 N -1.52 -0.83 -4.23 3.10 4.01 -0.69 -4.19 117.16 112.80 1y5i n TYR 932 Ca 0.04 0.42 -0.14 0.00 -0.16 0.00 0.00 57.90 58.06 1y5i n TYR 932 Cb 0.34 -0.76 -0.10 0.00 -0.31 0.00 0.00 39.34 38.51 1y5i n TYR 932 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1y5i s THR 933 N -1.53 1.10 0.23 -0.72 -4.23 -1.26 -1.44 115.64 107.78 1y5i s THR 933 Ca 0.00 -1.95 -0.31 0.00 -1.18 0.00 0.00 61.69 58.25 1y5i s THR 933 Cb 0.00 -1.72 -0.11 0.00 1.34 0.00 0.00 72.50 72.01 1y5i s THR 933 CO 0.00 -0.70 1.65 -0.54 -0.54 0.00 0.00 174.62 174.49 1y5i s LYS 934 N -3.49 4.14 0.16 3.99 -0.14 -0.50 -4.84 119.74 119.06 1y5i s LYS 934 Ca 0.14 2.55 0.07 0.00 -1.36 0.00 0.00 55.97 57.37 1y5i s LYS 934 Cb 0.01 -3.07 -0.07 0.00 -1.68 0.00 0.00 37.83 33.02 1y5i s LYS 934 CO 0.00 -0.68 1.36 0.00 -0.76 0.00 0.00 175.35 175.27 1y5i h ALA 935 N 6.16 0.50 -1.95 5.17 0.00 -1.92 -0.89 119.26 126.32 1y5i h ALA 935 Ca -0.44 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1y5i h ALA 935 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1y5i h ALA 935 CO 0.90 1.12 0.00 -0.85 0.00 0.00 0.00 179.25 180.41 1y5i n GLU 936 N -3.48 0.00 0.00 0.00 0.00 -1.26 -4.82 120.64 111.09 1y5i n GLU 936 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1y5i n GLU 936 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.30 1y5i n GLU 936 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1y5i n GLY 937 N 0.00 -2.20 0.39 -1.84 0.00 -1.26 -3.71 105.19 96.57 1y5i n GLY 937 Ca 0.00 -1.52 0.22 0.00 0.00 0.00 0.00 46.02 44.72 1y5i n GLY 937 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1y5i h PRO 938 N 0.00 0.42 -0.47 1.61 0.11 -1.98 -1.92 132.00 129.77 1y5i h PRO 938 Ca 0.00 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 1y5i h PRO 938 Cb 0.00 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 30.99 1y5i h PRO 938 CO 0.00 0.28 0.04 0.00 -0.21 0.00 0.00 178.00 178.11 1y5i n ALA 939 N -2.43 3.67 -1.56 -0.75 0.00 -1.26 -5.03 120.51 113.15 1y5i n ALA 939 Ca 0.26 -2.21 -0.58 0.00 0.00 0.00 0.00 53.44 50.92 1y5i n ALA 939 Cb 0.86 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 1y5i n ALA 939 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1y5i n LYS 940 N -0.03 0.37 0.00 0.00 4.81 -0.72 -1.02 118.16 121.57 1y5i n LYS 940 Ca 0.28 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1y5i n LYS 940 Cb 1.11 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 34.47 1y5i n LYS 940 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y5i n GLY 941 N 2.12 1.90 3.85 3.14 0.00 -0.34 -4.93 105.19 110.92 1y5i n GLY 941 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1y5i n GLY 941 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y5i s GLN 942 N -0.46 3.96 0.71 1.61 -1.52 -0.18 -4.72 119.66 119.05 1y5i s GLN 942 Ca 0.00 0.72 -0.16 0.00 -1.95 0.00 0.00 55.36 53.96 1y5i s GLN 942 Cb 0.00 -2.34 0.02 0.00 -0.22 0.00 0.00 33.01 30.47 1y5i s GLN 942 CO 0.00 0.01 1.24 -2.14 -0.25 0.00 0.00 175.29 174.15 1y5i s PRO 943 N -3.41 2.24 0.25 2.91 0.02 -1.26 -1.40 135.00 134.34 1y5i s PRO 943 Ca 0.55 1.88 -0.12 0.00 0.02 0.00 0.00 61.00 63.33 1y5i s PRO 943 Cb -0.10 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 1y5i s PRO 943 CO 0.23 -1.79 0.61 -1.64 -0.33 0.00 0.00 177.00 174.08 1y5i s MET 944 N -3.72 3.89 -0.52 5.54 -1.94 -0.52 -0.70 119.30 121.33 1y5i s MET 944 Ca 0.77 0.43 0.07 0.00 -1.71 0.00 0.00 55.69 55.26 1y5i s MET 944 Cb -0.32 -2.60 0.27 0.00 2.01 0.00 0.00 34.83 34.18 1y5i s MET 944 CO 0.43 0.28 0.68 1.28 -0.01 0.00 0.00 175.02 177.69 1y5i n LEU 945 N -0.12 2.28 -0.06 -0.03 4.77 0.83 -4.72 117.00 119.95 1y5i n LEU 945 Ca 0.01 -5.16 -0.21 0.00 -0.03 0.00 0.00 56.01 50.62 1y5i n LEU 945 Cb 0.53 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.42 1y5i n LEU 945 CO 0.44 2.11 -0.56 0.78 -1.33 0.00 0.00 177.39 178.83 1y5i h ASN 946 N 3.91 0.15 -1.90 -1.43 2.35 -1.93 -3.39 115.58 113.33 1y5i h ASN 946 Ca 0.14 -0.68 -0.49 0.00 -0.55 0.00 0.00 56.30 54.72 1y5i h ASN 946 Cb 0.75 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 1y5i h ASN 946 CO 0.67 1.59 -0.44 0.42 -1.65 0.00 0.00 177.43 178.01 1y5i s THR 947 N -2.42 3.78 0.37 2.81 -4.23 -1.26 -5.01 115.64 109.68 1y5i s THR 947 Ca -0.26 -1.32 0.07 0.00 -1.18 0.00 0.00 61.69 59.00 1y5i s THR 947 Cb 0.06 -3.26 0.18 0.00 1.34 0.00 0.00 72.50 70.81 1y5i s THR 947 CO 0.66 -0.20 1.93 0.00 -0.54 0.00 0.00 174.62 176.47 1y5i h ALA 948 N 1.23 1.49 -0.50 3.99 0.00 -1.94 -2.04 119.26 121.50 1y5i h ALA 948 Ca -0.46 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 1y5i h ALA 948 Cb 1.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1y5i h ALA 948 CO 0.58 0.37 -0.05 0.82 0.00 0.00 0.00 179.25 180.97 1y5i h ILE 949 N 0.41 1.26 -0.95 0.00 2.04 -1.95 0.15 117.51 118.47 1y5i h ILE 949 Ca 0.09 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.85 1y5i h ILE 949 Cb 0.27 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1y5i h ILE 949 CO 0.01 0.40 0.62 0.44 0.00 0.00 0.00 178.15 179.61 1y5i h ASP 950 N 0.80 1.04 -0.51 1.72 3.32 -1.74 0.13 116.42 121.19 1y5i h ASP 950 Ca 0.14 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1y5i h ASP 950 Cb 0.55 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1y5i h ASP 950 CO 0.03 0.72 0.02 0.00 -1.72 0.00 0.00 179.24 178.29 1y5i h ALA 951 N 1.38 0.69 -0.65 3.45 0.00 -0.96 -1.48 119.26 121.69 1y5i h ALA 951 Ca 0.37 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1y5i h ALA 951 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1y5i h ALA 951 CO -0.11 0.48 0.11 0.00 0.00 0.00 0.00 179.25 179.73 1y5i h ALA 952 N 0.95 0.97 -0.08 0.00 0.00 -0.05 -1.95 119.26 119.10 1y5i h ALA 952 Ca 0.15 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1y5i h ALA 952 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1y5i h ALA 952 CO 0.02 0.65 -0.32 0.93 0.00 0.00 0.00 179.25 180.53 1y5i h GLU 953 N 0.99 0.15 0.01 0.00 4.39 -0.75 -0.68 114.58 118.68 1y5i h GLU 953 Ca 0.20 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1y5i h GLU 953 Cb 0.42 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1y5i h GLU 953 CO 0.01 0.45 -0.00 1.98 -1.16 0.00 0.00 179.01 180.29 1y5i h MET 954 N 0.13 -0.01 -0.29 2.33 4.05 -0.61 -0.16 114.93 120.38 1y5i h MET 954 Ca 0.02 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1y5i h MET 954 Cb 0.63 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.40 1y5i h MET 954 CO 0.05 0.11 0.07 0.82 0.23 0.00 0.00 176.91 178.19 1y5i h ILE 955 N -0.12 0.88 -0.65 1.77 2.04 -0.92 -1.73 117.51 118.78 1y5i h ILE 955 Ca -0.00 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 1y5i h ILE 955 Cb 0.12 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1y5i h ILE 955 CO 0.00 0.03 0.17 -0.07 0.00 0.00 0.00 178.15 178.28 1y5i h LEU 956 N 0.18 0.98 -0.43 1.44 3.38 -1.00 -2.30 115.31 117.56 1y5i h LEU 956 Ca 0.13 -0.23 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 1y5i h LEU 956 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1y5i h LEU 956 CO -0.16 0.95 -0.71 0.74 0.09 0.00 0.00 178.44 179.35 1y5i h THR 957 N 0.96 1.37 0.00 0.22 2.02 -0.85 -3.32 112.91 113.31 1y5i h THR 957 Ca 0.21 -2.10 -0.18 0.00 0.77 0.00 0.00 66.41 65.10 1y5i h THR 957 Cb 0.35 2.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 1y5i h THR 957 CO 0.00 0.63 -0.90 -0.07 0.37 0.00 0.00 175.52 175.56 1y5i h LEU 958 N 0.28 0.00 -9.89 2.58 3.38 -1.29 -3.44 115.31 106.93 1y5i h LEU 958 Ca -0.03 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.47 1y5i h LEU 958 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1y5i h LEU 958 CO 0.12 0.81 0.36 0.00 0.09 0.00 0.00 178.44 179.83 1y5i s ALA 959 N -2.80 3.21 0.10 1.53 0.00 -0.87 -4.58 121.76 118.35 1y5i s ALA 959 Ca 0.01 0.58 0.23 0.00 0.00 0.00 0.00 51.96 52.78 1y5i s ALA 959 Cb 0.09 -3.21 0.84 0.00 0.00 0.00 0.00 23.12 20.84 1y5i s ALA 959 CO 0.79 0.10 1.79 -1.00 0.00 0.00 0.00 175.76 177.45 1y5i h PRO 960 N 3.16 0.00 0.00 0.00 0.13 -1.86 -0.98 132.00 132.45 1y5i h PRO 960 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1y5i h PRO 960 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1y5i h PRO 960 CO 0.65 0.25 -0.24 0.93 -0.23 0.00 0.00 178.00 179.35 1y5i h GLU 961 N 0.00 0.00 -0.01 0.86 3.07 -1.87 -3.30 114.58 113.33 1y5i h GLU 961 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1y5i h GLU 961 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1y5i h GLU 961 CO 0.03 0.24 0.00 0.25 -1.40 0.00 0.00 179.01 178.13 1y5i n THR 962 N -3.38 0.03 -3.60 1.13 -2.24 -1.03 -0.30 114.28 104.89 1y5i n THR 962 Ca 0.00 -0.52 -0.28 0.00 -2.27 0.00 0.00 64.05 60.99 1y5i n THR 962 Cb 0.45 1.04 -0.16 0.00 -2.10 0.00 0.00 70.33 69.56 1y5i n THR 962 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1y5i s ASN 963 N -0.25 3.04 0.44 3.42 3.84 -0.40 -0.96 114.94 124.06 1y5i s ASN 963 Ca 0.03 -1.00 0.22 0.00 0.21 0.00 0.00 52.86 52.32 1y5i s ASN 963 Cb 0.02 -0.36 1.19 0.00 -0.55 0.00 0.00 41.25 41.55 1y5i s ASN 963 CO 0.03 -0.39 1.82 1.23 -2.79 0.00 0.00 177.10 177.01 1y5i h GLY 964 N 8.38 0.79 0.94 1.21 0.00 -0.64 0.82 103.07 114.57 1y5i h GLY 964 Ca -0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1y5i h GLY 964 CO 0.37 -0.05 0.14 -1.61 0.00 0.00 0.00 176.54 175.40 1y5i h GLN 965 N 0.31 0.41 -0.28 4.80 4.15 -1.71 -1.54 115.11 121.24 1y5i h GLN 965 Ca 0.52 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.74 1y5i h GLN 965 Cb 1.47 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 1y5i h GLN 965 CO -0.18 0.37 -0.43 0.28 -1.93 0.00 0.00 178.83 176.95 1y5i h VAL 966 N 0.33 1.29 -0.65 2.39 2.07 -1.23 -2.75 116.25 117.71 1y5i h VAL 966 Ca 0.10 -1.61 0.06 0.00 0.82 0.00 0.00 66.70 66.07 1y5i h VAL 966 Cb 0.10 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1y5i h VAL 966 CO -0.01 0.52 0.35 0.00 0.02 0.00 0.00 177.57 178.44 1y5i h ALA 967 N 0.97 0.86 -0.36 1.67 0.00 -0.75 0.17 119.26 121.82 1y5i h ALA 967 Ca 0.04 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1y5i h ALA 967 Cb 0.97 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1y5i h ALA 967 CO 0.09 0.02 -0.20 0.28 0.00 0.00 0.00 179.25 179.43 1y5i h VAL 968 N 0.65 1.27 -0.19 0.00 2.07 -1.20 -0.93 116.25 117.91 1y5i h VAL 968 Ca 0.29 -1.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 1y5i h VAL 968 Cb 0.19 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1y5i h VAL 968 CO -0.19 0.42 -0.37 0.11 0.02 0.00 0.00 177.57 177.57 1y5i h LYS 969 N 0.61 0.41 -0.15 1.57 1.57 -1.07 -1.06 116.57 118.44 1y5i h LYS 969 Ca 0.09 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1y5i h LYS 969 Cb 0.68 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1y5i h LYS 969 CO 0.05 0.72 -0.15 0.00 -0.57 0.00 0.00 179.45 179.50 1y5i h ALA 970 N 1.26 0.22 0.00 3.86 0.00 -0.41 -1.71 119.26 122.48 1y5i h ALA 970 Ca 0.04 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1y5i h ALA 970 Cb 0.81 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1y5i h ALA 970 CO 0.07 0.11 -0.33 -1.49 0.00 0.00 0.00 179.25 177.61 1y5i h TRP 971 N 0.01 0.00 -0.27 0.00 4.06 -1.08 -2.18 115.95 116.48 1y5i h TRP 971 Ca 0.02 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.90 1y5i h TRP 971 Cb 0.68 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.84 1y5i h TRP 971 CO 0.08 0.33 -0.11 0.00 -3.56 0.00 0.00 178.44 175.18 1y5i h ALA 972 N 1.67 0.38 -0.69 1.49 0.00 -1.09 -1.27 119.26 119.75 1y5i h ALA 972 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1y5i h ALA 972 Cb 0.58 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1y5i h ALA 972 CO 0.04 0.23 0.46 0.00 0.00 0.00 0.00 179.25 179.98 1y5i h ALA 973 N 0.75 0.88 -0.59 0.00 0.00 -1.01 -2.41 119.26 116.88 1y5i h ALA 973 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1y5i h ALA 973 Cb 0.60 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1y5i h ALA 973 CO 0.03 0.30 0.27 1.25 0.00 0.00 0.00 179.25 181.11 1y5i h LEU 974 N 0.94 0.78 -1.97 0.00 5.85 -1.26 -2.52 115.31 117.12 1y5i h LEU 974 Ca 0.25 -0.14 0.18 0.00 0.84 0.00 0.00 57.88 59.02 1y5i h LEU 974 Cb -0.11 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1y5i h LEU 974 CO -0.06 0.70 0.53 0.28 -0.34 0.00 0.00 178.44 179.56 1y5i h SER 975 N 0.80 0.00 -0.62 1.25 0.02 -0.72 -0.13 113.55 114.16 1y5i h SER 975 Ca 0.20 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1y5i h SER 975 Cb 0.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1y5i h SER 975 CO -0.02 0.00 0.23 -0.33 -1.14 0.00 0.00 176.83 175.56 1y5i h GLU 976 N 0.00 0.93 -0.17 3.45 4.39 -1.29 0.11 114.58 122.00 1y5i h GLU 976 Ca 0.30 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 1y5i h GLU 976 Cb 1.36 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1y5i h GLU 976 CO -0.00 0.81 -0.12 0.74 -1.16 0.00 0.00 179.01 179.27 1y5i h PHE 977 N 0.87 0.45 0.00 4.33 0.04 -1.13 -3.04 116.94 118.45 1y5i h PHE 977 Ca 0.20 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1y5i h PHE 977 Cb 0.24 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1y5i h PHE 977 CO 0.01 0.73 -0.52 1.79 -0.60 0.00 0.00 178.31 179.72 1y5i h THR 978 N 0.04 0.00 -0.02 -1.55 1.35 -1.47 -2.49 112.91 108.76 1y5i h THR 978 Ca 0.03 -0.88 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 1y5i h THR 978 Cb 0.63 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1y5i h THR 978 CO 0.03 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 175.90 1y5i n GLY 979 N 1.19 0.31 3.33 5.82 0.00 0.36 -4.48 105.19 111.72 1y5i n GLY 979 Ca 0.02 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1y5i n GLY 979 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y5i s ARG 980 N -1.03 1.86 0.06 1.61 0.52 -1.24 -5.03 118.95 115.71 1y5i s ARG 980 Ca 0.00 -1.06 -0.30 0.00 -0.52 0.00 0.00 55.73 53.84 1y5i s ARG 980 Cb 0.00 -1.98 -0.05 0.00 0.52 0.00 0.00 34.95 33.44 1y5i s ARG 980 CO 0.00 0.52 1.13 0.34 0.02 0.00 0.00 175.30 177.30 1y5i s ASP 981 N -1.09 7.19 0.00 0.23 2.15 -1.26 -4.41 116.67 119.48 1y5i s ASP 981 Ca 0.11 1.93 0.00 0.00 0.43 0.00 0.00 52.55 55.03 1y5i s ASP 981 Cb -0.10 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1y5i s ASP 981 CO 0.01 -0.37 0.18 1.41 -0.17 0.00 0.00 175.17 176.23 1y5i n HIS 982 N 3.66 0.00 0.32 -5.34 8.25 -1.26 -4.69 115.22 116.15 1y5i n HIS 982 Ca 0.07 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.72 1y5i n HIS 982 Cb 0.48 0.00 1.05 0.00 1.12 0.00 0.00 29.99 32.64 1y5i n HIS 982 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1y5i h THR 983 N 0.05 0.28 0.00 1.59 1.35 -1.90 0.33 112.91 114.62 1y5i h THR 983 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1y5i h THR 983 Cb 0.03 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1y5i h THR 983 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1y5i n HIS 984 N -3.47 0.61 0.43 4.73 1.44 -1.26 -1.60 115.22 116.10 1y5i n HIS 984 Ca -0.03 0.30 0.13 0.00 -2.01 0.00 0.00 57.72 56.11 1y5i n HIS 984 Cb 0.09 -0.98 0.43 0.00 0.12 0.00 0.00 29.99 29.65 1y5i n HIS 984 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1y5i h LEU 985 N 0.00 0.00 -0.24 2.39 3.38 -1.29 -3.35 115.31 116.20 1y5i h LEU 985 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1y5i h LEU 985 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1y5i h LEU 985 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1y5i n ALA 986 N -1.90 0.70 -0.27 1.53 0.00 -0.66 -4.63 120.51 115.28 1y5i n ALA 986 Ca 0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1y5i n ALA 986 Cb 0.38 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.90 1y5i n ALA 986 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1y5i h LEU 987 N 0.00 0.84 0.00 0.00 3.38 -1.44 -1.74 115.31 116.35 1y5i h LEU 987 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1y5i h LEU 987 Cb 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1y5i h LEU 987 CO 0.00 0.60 0.00 -0.46 0.09 0.00 0.00 178.44 178.67 1y5i n ASN 988 N -4.58 0.00 -0.63 -0.43 6.94 -1.26 -1.92 115.26 113.38 1y5i n ASN 988 Ca 0.07 -0.44 0.03 0.00 -0.02 0.00 0.00 54.58 54.23 1y5i n ASN 988 Cb 0.03 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.51 1y5i n ASN 988 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1y5i n LYS 989 N -0.93 0.41 0.27 -3.83 5.02 -0.69 -4.87 118.16 113.53 1y5i n LYS 989 Ca 0.08 -1.74 0.13 0.00 -2.02 0.00 0.00 58.31 54.75 1y5i n LYS 989 Cb 0.04 -0.71 0.75 0.00 -0.02 0.00 0.00 35.03 35.09 1y5i n LYS 989 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1y5i h GLU 990 N 0.29 0.00 -0.00 1.97 4.81 -0.98 -1.81 114.58 118.85 1y5i h GLU 990 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1y5i h GLU 990 Cb 1.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1y5i h GLU 990 CO 0.02 0.10 -0.24 -3.47 -0.73 0.00 0.00 179.01 174.69 1y5i n ASP 991 N -3.74 0.74 -4.72 1.04 2.03 -1.26 -2.57 116.55 108.06 1y5i n ASP 991 Ca -0.02 -0.64 -0.42 0.00 0.52 0.00 0.00 54.79 54.23 1y5i n ASP 991 Cb 0.20 0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.64 1y5i n ASP 991 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1y5i s GLU 992 N -2.59 4.34 -0.18 -0.67 2.56 -0.68 -4.88 118.70 116.60 1y5i s GLU 992 Ca 0.23 2.02 -0.05 0.00 0.00 0.00 0.00 54.97 57.17 1y5i s GLU 992 Cb 0.19 -3.26 0.06 0.00 2.00 0.00 0.00 34.13 33.12 1y5i s GLU 992 CO 0.54 -0.40 0.09 0.15 -0.56 0.00 0.00 175.26 175.08 1y5i s LYS 993 N 1.05 0.07 -0.01 4.30 1.02 -1.26 -0.08 119.74 124.83 1y5i s LYS 993 Ca 0.63 -0.11 -0.30 0.00 0.02 0.00 0.00 55.97 56.21 1y5i s LYS 993 Cb -0.35 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 1y5i s LYS 993 CO 0.30 -0.69 1.09 0.42 -0.92 0.00 0.00 175.35 175.55 1y5i s ILE 994 N 2.14 4.50 0.06 2.17 1.01 -0.14 -5.03 121.20 125.91 1y5i s ILE 994 Ca 0.03 1.79 0.06 0.00 0.00 0.00 0.00 60.65 62.52 1y5i s ILE 994 Cb -0.16 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1y5i s ILE 994 CO -0.11 0.09 -0.09 -0.13 0.00 0.00 0.00 174.94 174.70 1y5i s ARG 995 N 1.42 2.30 0.16 2.79 1.81 -1.26 -4.69 118.95 121.48 1y5i s ARG 995 Ca 0.54 -0.90 -0.16 0.00 -1.72 0.00 0.00 55.73 53.49 1y5i s ARG 995 Cb -0.24 -2.38 0.08 0.00 -0.45 0.00 0.00 34.95 31.97 1y5i s ARG 995 CO 0.26 0.55 1.73 0.35 -0.68 0.00 0.00 175.30 177.50 1y5i h PHE 996 N 4.00 0.13 0.00 -0.53 3.57 -1.96 -1.29 116.94 120.86 1y5i h PHE 996 Ca -0.48 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.00 1y5i h PHE 996 Cb 1.17 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1y5i h PHE 996 CO 0.59 0.02 -0.19 0.00 -2.23 0.00 0.00 178.31 176.50 1y5i h ARG 997 N 0.21 0.00 -0.14 1.11 3.08 -2.00 -2.32 114.38 114.32 1y5i h ARG 997 Ca 0.18 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.04 1y5i h ARG 997 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1y5i h ARG 997 CO -0.23 0.19 -0.69 -0.44 -1.07 0.00 0.00 179.97 177.73 1y5i h ASP 998 N 0.00 0.67 1.27 7.04 3.32 -1.64 -2.90 116.42 124.19 1y5i h ASP 998 Ca -0.00 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1y5i h ASP 998 Cb 0.44 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1y5i h ASP 998 CO 0.02 1.17 0.00 0.16 -1.72 0.00 0.00 179.24 178.88 1y5i h ILE 999 N 0.41 0.00 0.00 0.35 3.07 -0.85 0.01 117.51 120.51 1y5i h ILE 999 Ca -0.03 -0.62 -0.10 0.00 1.55 0.00 0.00 64.86 65.66 1y5i h ILE 999 Cb 1.28 1.60 -0.01 0.00 -0.27 0.00 0.00 36.82 39.42 1y5i h ILE 999 CO 0.13 0.00 -0.50 1.56 -1.05 0.00 0.00 178.15 178.29 1y5i h GLN 1000N 0.00 0.00 0.24 0.16 4.20 -1.26 -3.14 115.11 115.32 1y5i h GLN 1000Ca 0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 1y5i h GLN 1000Cb 0.64 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.45 1y5i h GLN 1000CO 0.00 0.50 -1.46 0.00 -0.67 0.00 0.00 178.83 177.20 1y5i h ALA 1001N 1.50 -0.15 -1.97 3.87 0.00 -1.04 -3.45 119.26 118.02 1y5i h ALA 1001Ca -0.00 -0.86 0.03 0.00 0.00 0.00 0.00 54.91 54.08 1y5i h ALA 1001Cb 0.89 0.17 -0.21 0.00 0.00 0.00 0.00 17.79 18.63 1y5i h ALA 1001CO 0.06 0.70 0.04 -1.14 0.00 0.00 0.00 179.25 178.91 1y5i s GLN 1002N -2.63 0.69 0.43 0.00 0.74 -0.15 -5.13 119.66 113.62 1y5i s GLN 1002Ca -0.09 1.20 -0.24 0.00 0.05 0.00 0.00 55.36 56.29 1y5i s GLN 1002Cb 0.04 0.15 -0.10 0.00 1.10 0.00 0.00 33.01 34.20 1y5i s GLN 1002CO 0.95 -0.15 1.03 -2.30 -0.55 0.00 0.00 175.29 174.27 1y5i n PRO 1003N 4.31 1.38 -5.01 1.67 -0.02 -1.24 -4.11 135.00 131.98 1y5i n PRO 1003Ca -0.20 0.50 -0.32 0.00 -2.02 0.00 0.00 63.50 61.46 1y5i n PRO 1003Cb 0.59 -2.09 -0.14 0.00 -0.02 0.00 0.00 33.50 31.84 1y5i n PRO 1003CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1y5i s ARG 1004N -2.09 2.41 0.13 -0.52 1.81 -1.07 -4.47 118.95 115.13 1y5i s ARG 1004Ca 0.64 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 53.59 1y5i s ARG 1004Cb -0.54 -2.29 -0.07 0.00 -0.45 0.00 0.00 34.95 31.61 1y5i s ARG 1004CO 0.56 0.60 1.11 0.21 -0.68 0.00 0.00 175.30 177.10 1y5i s LYS 1005N -0.68 4.55 1.01 3.54 2.20 -1.26 -1.20 119.74 127.91 1y5i s LYS 1005Ca 0.11 1.69 -0.17 0.00 -0.36 0.00 0.00 55.97 57.24 1y5i s LYS 1005Cb -0.11 -3.32 0.22 0.00 -1.51 0.00 0.00 37.83 33.11 1y5i s LYS 1005CO 0.00 -0.02 1.27 0.96 -0.36 0.00 0.00 175.35 177.21 1y5i s ILE 1006N 0.25 1.91 -0.07 5.43 -5.25 -0.28 -4.95 121.20 118.24 1y5i s ILE 1006Ca 0.52 0.00 -0.04 0.00 -0.99 0.00 0.00 60.65 60.14 1y5i s ILE 1006Cb -0.28 -2.89 -0.04 0.00 2.95 0.00 0.00 42.46 42.20 1y5i s ILE 1006CO 0.32 0.00 0.12 -0.63 -1.79 0.00 0.00 174.94 172.96 1y5i s ILE 1007N -3.69 5.16 0.14 8.37 1.01 0.59 -4.85 121.20 127.92 1y5i s ILE 1007Ca 0.73 -0.07 -0.35 0.00 0.00 0.00 0.00 60.65 60.97 1y5i s ILE 1007Cb -0.05 -3.30 -0.15 0.00 0.01 0.00 0.00 42.46 38.97 1y5i s ILE 1007CO 0.54 0.49 1.53 -1.20 0.00 0.00 0.00 174.94 176.30 1y5i n SER 1008N 1.60 2.75 -4.03 3.58 7.64 -1.26 -4.41 113.62 119.49 1y5i n SER 1008Ca -0.16 1.09 -0.12 0.00 1.01 0.00 0.00 58.87 60.69 1y5i n SER 1008Cb 0.54 -1.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.25 1y5i n SER 1008CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1y5i s SER 1009N 0.87 0.64 0.05 6.43 0.15 -1.26 -4.77 113.70 115.81 1y5i s SER 1009Ca 0.80 -0.49 0.16 0.00 0.70 0.00 0.00 55.95 57.13 1y5i s SER 1009Cb -0.75 0.05 0.69 0.00 -1.71 0.00 0.00 66.02 64.30 1y5i s SER 1009CO 0.40 -0.21 1.52 -0.81 1.20 0.00 0.00 173.24 175.34 1y5i n PRO 1010N 1.65 0.04 0.28 5.44 -0.04 -1.26 -1.84 135.00 139.26 1y5i n PRO 1010Ca -0.22 0.28 0.16 0.00 -0.04 0.00 0.00 63.50 63.67 1y5i n PRO 1010Cb 0.55 -1.57 0.77 0.00 -0.04 0.00 0.00 33.50 33.21 1y5i n PRO 1010CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1y5i h THR 1011N 0.00 0.29 -1.73 0.52 2.02 -1.95 -3.45 112.91 108.61 1y5i h THR 1011Ca 0.00 -0.52 -0.60 0.00 0.77 0.00 0.00 66.41 66.07 1y5i h THR 1011Cb 0.28 1.40 -0.13 0.00 -1.74 0.00 0.00 68.15 67.95 1y5i h THR 1011CO 0.00 0.08 -0.56 0.26 0.37 0.00 0.00 175.52 175.66 1y5i s TRP 1012N -3.94 2.07 -0.07 3.16 0.52 -0.77 -5.05 118.94 114.85 1y5i s TRP 1012Ca -0.01 -0.93 0.01 0.00 0.02 0.00 0.00 56.10 55.18 1y5i s TRP 1012Cb 0.11 -1.50 0.02 0.00 -1.15 0.00 0.00 33.47 30.95 1y5i s TRP 1012CO 0.55 0.15 0.96 -1.13 0.02 0.00 0.00 176.95 177.50 1y5i n SER 1013N -1.05 1.95 -4.68 2.95 3.41 -1.26 -4.83 113.62 110.10 1y5i n SER 1013Ca -0.09 -1.89 -0.27 0.00 -0.26 0.00 0.00 58.87 56.36 1y5i n SER 1013Cb 0.67 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.51 1y5i n SER 1013CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1y5i s GLY 1014N -0.90 2.51 0.11 5.00 0.00 -1.25 -0.18 107.32 112.62 1y5i s GLY 1014Ca 0.02 -2.00 0.08 0.00 0.00 0.00 0.00 44.72 42.81 1y5i s GLY 1014CO 0.01 -2.05 -0.12 1.08 0.00 0.00 0.00 173.10 172.03 1y5i s LEU 1015N -3.81 2.97 -0.43 0.66 1.43 -1.26 -4.70 118.68 113.54 1y5i s LEU 1015Ca 0.34 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1y5i s LEU 1015Cb 0.07 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.59 1y5i s LEU 1015CO 0.18 0.17 0.29 -1.61 0.23 0.00 0.00 176.35 175.61 1y5i s GLU 1016N -2.25 2.74 0.06 1.70 0.41 -1.26 -3.36 118.70 116.75 1y5i s GLU 1016Ca 0.21 -1.37 -0.09 0.00 -0.41 0.00 0.00 54.97 53.31 1y5i s GLU 1016Cb -0.11 -3.88 -0.00 0.00 -1.78 0.00 0.00 34.13 28.36 1y5i s GLU 1016CO 0.13 -0.94 0.18 0.34 -0.49 0.00 0.00 175.26 174.48 1y5i s ASP 1017N 2.18 0.09 0.00 -0.19 2.15 -1.25 -4.48 116.67 115.17 1y5i s ASP 1017Ca 0.03 -0.51 0.27 0.00 0.43 0.00 0.00 52.55 52.77 1y5i s ASP 1017Cb -0.23 0.30 0.85 0.00 -0.30 0.00 0.00 42.92 43.55 1y5i s ASP 1017CO 0.04 -0.63 1.64 -0.62 -0.17 0.00 0.00 175.17 175.44 1y5i n GLU 1018N 0.37 0.32 -0.00 4.34 -0.58 -1.26 -4.07 120.64 119.76 1y5i n GLU 1018Ca -0.17 -0.15 0.03 0.00 -0.42 0.00 0.00 57.16 56.45 1y5i n GLU 1018Cb 0.60 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.93 1y5i n GLU 1018CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1y5i n HIS 1019N -1.21 0.00 -4.14 -0.32 8.25 -1.26 -4.83 115.22 111.71 1y5i n HIS 1019Ca 0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.39 1y5i n HIS 1019Cb 0.32 -0.10 -0.15 0.00 1.12 0.00 0.00 29.99 31.18 1y5i n HIS 1019CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1y5i s VAL 1020N -2.18 0.41 0.83 1.59 0.11 -1.26 -5.15 120.40 114.75 1y5i s VAL 1020Ca -0.01 -0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 58.74 1y5i s VAL 1020Cb 0.05 -0.37 0.09 0.00 -1.53 0.00 0.00 36.38 34.61 1y5i s VAL 1020CO 0.28 0.13 1.11 -0.44 -3.33 0.00 0.00 175.10 172.85 1y5i s SER 1021N 0.11 4.24 -0.11 3.54 0.01 -1.26 -3.82 113.70 116.40 1y5i s SER 1021Ca -0.01 1.23 -0.30 0.00 1.31 0.00 0.00 55.95 58.19 1y5i s SER 1021Cb -0.05 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.23 1y5i s SER 1021CO -0.00 -2.12 1.26 -0.47 0.41 0.00 0.00 173.24 172.32 1y5i s TYR 1022N -3.18 2.94 -0.04 2.43 5.04 -1.21 -4.64 117.35 118.69 1y5i s TYR 1022Ca 0.62 1.04 -0.01 0.00 -2.44 0.00 0.00 57.07 56.27 1y5i s TYR 1022Cb -0.15 -3.50 0.03 0.00 0.35 0.00 0.00 41.96 38.69 1y5i s TYR 1022CO 0.54 -1.69 0.03 1.21 -1.34 0.00 0.00 175.55 174.29 1y5i s ASN 1023N 1.84 0.88 0.45 4.32 3.84 -1.26 -1.74 114.94 123.27 1y5i s ASN 1023Ca 0.56 0.01 -0.24 0.00 0.21 0.00 0.00 52.86 53.40 1y5i s ASN 1023Cb -0.24 -0.21 -0.08 0.00 -0.55 0.00 0.00 41.25 40.17 1y5i s ASN 1023CO 0.19 -0.18 1.32 0.00 -2.79 0.00 0.00 177.10 175.63 1y5i s ALA 1024N 1.65 3.12 0.00 1.71 0.00 -1.26 -2.24 121.76 124.74 1y5i s ALA 1024Ca -0.01 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1y5i s ALA 1024Cb -0.13 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1y5i s ALA 1024CO -0.03 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.16 1y5i n GLY 1025N 0.63 1.52 0.34 0.00 0.00 -1.19 -2.61 105.19 103.88 1y5i n GLY 1025Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 1y5i n GLY 1025CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1y5i h TYR 1026N 0.00 1.13 -0.06 1.61 3.20 -0.78 -1.02 116.97 121.05 1y5i h TYR 1026Ca 0.00 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 1y5i h TYR 1026Cb 0.00 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 37.88 1y5i h TYR 1026CO 0.00 0.71 -0.60 1.79 -1.64 0.00 0.00 178.16 178.42 1y5i h THR 1027N 1.21 1.39 -0.07 1.81 1.35 -0.84 0.25 112.91 118.02 1y5i h THR 1027Ca 0.33 -1.98 -0.01 0.00 -0.55 0.00 0.00 66.41 64.21 1y5i h THR 1027Cb -0.13 2.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1y5i h THR 1027CO -0.07 0.58 0.02 0.78 -0.25 0.00 0.00 175.52 176.58 1y5i h ASN 1028N 0.15 0.10 -0.29 5.36 4.21 -1.59 0.37 115.58 123.89 1y5i h ASN 1028Ca -0.01 -0.20 -0.17 0.00 1.21 0.00 0.00 56.30 57.13 1y5i h ASN 1028Cb 1.09 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 38.26 1y5i h ASN 1028CO 0.09 0.28 -0.48 0.58 -1.29 0.00 0.00 177.43 176.61 1y5i h VAL 1029N -0.08 1.28 0.00 2.81 2.07 -1.09 -2.47 116.25 118.76 1y5i h VAL 1029Ca 0.02 -1.66 -0.07 0.00 0.82 0.00 0.00 66.70 65.81 1y5i h VAL 1029Cb 0.21 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1y5i h VAL 1029CO -0.00 0.55 -1.96 1.41 0.02 0.00 0.00 177.57 177.58 1y5i n HIS 1030N -4.02 0.13 0.64 1.57 8.25 0.88 -4.35 115.22 118.32 1y5i n HIS 1030Ca -0.03 0.04 0.07 0.00 -0.26 0.00 0.00 57.72 57.54 1y5i n HIS 1030Cb 0.59 -0.66 0.04 0.00 1.12 0.00 0.00 29.99 31.08 1y5i n HIS 1030CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1y5i n GLU 1031N -2.41 1.40 -2.39 -0.41 -0.58 0.13 -4.99 120.64 111.39 1y5i n GLU 1031Ca -0.09 -1.13 -0.18 0.00 -0.42 0.00 0.00 57.16 55.34 1y5i n GLU 1031Cb 0.69 -1.26 -0.00 0.00 -0.57 0.00 0.00 31.44 30.29 1y5i n GLU 1031CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1y5i n LEU 1032N 0.43 -1.87 -4.72 -4.62 4.32 -0.93 -4.92 117.00 104.68 1y5i n LEU 1032Ca 0.08 -0.04 -0.40 0.00 -0.02 0.00 0.00 56.01 55.63 1y5i n LEU 1032Cb 0.35 -2.57 -0.04 0.00 -1.62 0.00 0.00 43.42 39.54 1y5i n LEU 1032CO 0.13 -0.15 0.48 -0.63 -1.22 0.00 0.00 177.39 176.00 1y5i s ILE 1033N -2.90 4.91 0.69 -0.08 1.01 -1.21 -0.10 121.20 123.51 1y5i s ILE 1033Ca 0.02 1.64 -0.13 0.00 0.00 0.00 0.00 60.65 62.18 1y5i s ILE 1033Cb -0.01 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.35 1y5i s ILE 1033CO 0.03 0.27 1.09 -2.84 0.00 0.00 0.00 174.94 173.48 1y5i s PRO 1034N 0.57 2.74 0.39 2.79 0.02 -1.26 -4.24 135.00 136.02 1y5i s PRO 1034Ca 0.41 1.22 -0.23 0.00 0.02 0.00 0.00 61.00 62.42 1y5i s PRO 1034Cb -0.19 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.27 1y5i s PRO 1034CO 0.22 -1.27 0.98 -1.58 -0.33 0.00 0.00 177.00 175.02 1y5i s TRP 1035N -2.64 3.40 -1.49 6.54 0.51 -0.48 -4.91 118.94 119.86 1y5i s TRP 1035Ca 0.63 1.67 -0.09 0.00 -2.12 0.00 0.00 56.10 56.19 1y5i s TRP 1035Cb -0.18 -2.96 -0.09 0.00 -0.81 0.00 0.00 33.47 29.43 1y5i s TRP 1035CO 0.47 -0.20 2.88 0.54 -0.51 0.00 0.00 176.95 180.13 1y5i n ARG 1036N -0.13 3.45 -4.44 4.98 3.00 -1.12 -4.12 116.66 118.28 1y5i n ARG 1036Ca 0.05 -2.07 -0.25 0.00 -0.01 0.00 0.00 57.85 55.57 1y5i n ARG 1036Cb 0.51 -2.73 -0.10 0.00 0.00 0.00 0.00 32.46 30.15 1y5i n ARG 1036CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1y5i s THR 1037N 2.28 2.42 0.26 0.55 -4.23 -1.26 -3.78 115.64 111.88 1y5i s THR 1037Ca 0.66 -2.08 -0.05 0.00 -1.18 0.00 0.00 61.69 59.04 1y5i s THR 1037Cb 0.17 -2.73 0.29 0.00 1.34 0.00 0.00 72.50 71.57 1y5i s THR 1037CO -0.05 -0.19 1.64 0.25 -0.54 0.00 0.00 174.62 175.72 1y5i h LEU 1038N 1.90 -0.26 0.00 4.79 5.85 -1.89 -1.58 115.31 124.13 1y5i h LEU 1038Ca -0.42 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1y5i h LEU 1038Cb 1.25 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1y5i h LEU 1038CO 0.69 -0.17 -0.64 -1.54 -0.34 0.00 0.00 178.44 176.44 1y5i n SER 1039N -5.31 0.66 0.00 1.25 3.41 -1.26 -0.85 113.62 111.51 1y5i n SER 1039Ca 0.16 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1y5i n SER 1039Cb 0.53 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1y5i n SER 1039CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y5i n GLY 1040N 1.36 1.72 3.84 5.00 0.00 -0.59 -3.39 105.19 113.13 1y5i n GLY 1040Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1y5i n GLY 1040CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y5i s ARG 1041N -0.39 2.25 -0.07 1.61 3.00 -1.26 -1.39 118.95 122.70 1y5i s ARG 1041Ca 0.00 -2.07 -0.30 0.00 0.00 0.00 0.00 55.73 53.37 1y5i s ARG 1041Cb 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 34.95 32.94 1y5i s ARG 1041CO 0.00 -0.47 1.64 -0.65 0.00 0.00 0.00 175.30 175.82 1y5i s GLN 1042N -4.12 4.15 -0.76 3.54 -0.21 -0.26 -4.74 119.66 117.25 1y5i s GLN 1042Ca 0.29 2.13 -0.23 0.00 0.02 0.00 0.00 55.36 57.57 1y5i s GLN 1042Cb -0.00 -3.99 0.07 0.00 1.00 0.00 0.00 33.01 30.09 1y5i s GLN 1042CO 0.17 -0.88 1.10 -0.65 -2.12 0.00 0.00 175.29 172.90 1y5i s GLN 1043N 4.08 3.26 0.22 2.91 -1.52 -0.14 -2.13 119.66 126.34 1y5i s GLN 1043Ca 0.73 -0.94 0.11 0.00 -1.95 0.00 0.00 55.36 53.30 1y5i s GLN 1043Cb -0.32 -4.46 0.09 0.00 -0.22 0.00 0.00 33.01 28.09 1y5i s GLN 1043CO 0.29 -1.90 1.45 -0.07 -0.25 0.00 0.00 175.29 174.80 1y5i h LEU 1044N 11.59 0.00 -8.68 2.90 4.07 -1.90 -3.40 115.31 119.89 1y5i h LEU 1044Ca -0.15 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 57.16 1y5i h LEU 1044Cb 1.05 0.00 -0.22 0.00 1.08 0.00 0.00 40.66 42.58 1y5i h LEU 1044CO 1.21 0.75 -0.60 -0.47 -1.08 0.00 0.00 178.44 178.24 1y5i s TYR 1045N -3.09 3.11 -0.51 1.13 5.04 -1.26 -4.61 117.35 117.16 1y5i s TYR 1045Ca 0.01 -0.34 -0.16 0.00 -2.44 0.00 0.00 57.07 54.14 1y5i s TYR 1045Cb 0.10 -2.27 0.10 0.00 0.35 0.00 0.00 41.96 40.25 1y5i s TYR 1045CO 0.78 -0.33 0.45 -0.65 -1.34 0.00 0.00 175.55 174.46 1y5i s GLN 1046N 1.64 2.98 0.00 4.97 -1.52 -0.28 -4.94 119.66 122.51 1y5i s GLN 1046Ca 0.06 -1.54 0.25 0.00 -1.95 0.00 0.00 55.36 52.18 1y5i s GLN 1046Cb -0.15 -4.22 0.66 0.00 -0.22 0.00 0.00 33.01 29.08 1y5i s GLN 1046CO 0.05 -1.19 1.52 -0.40 -0.25 0.00 0.00 175.29 175.02 1y5i n ASP 1047N 5.23 2.22 -4.72 5.90 5.75 -1.26 -4.18 116.55 125.49 1y5i n ASP 1047Ca -0.13 -1.75 -0.41 0.00 -0.01 0.00 0.00 54.79 52.49 1y5i n ASP 1047Cb 0.42 -0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.48 1y5i n ASP 1047CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1y5i n HIS 1048N 0.72 2.33 -0.24 2.11 -0.00 -1.26 -4.63 115.22 114.24 1y5i n HIS 1048Ca 0.17 0.48 0.03 0.00 0.46 0.00 0.00 57.72 58.86 1y5i n HIS 1048Cb 0.46 -2.41 0.12 0.00 -0.12 0.00 0.00 29.99 28.04 1y5i n HIS 1048CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 1y5i h GLN 1049N 2.16 0.06 -0.26 1.57 4.15 -1.92 -0.20 115.11 120.68 1y5i h GLN 1049Ca -0.49 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 58.84 1y5i h GLN 1049Cb 1.29 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 1y5i h GLN 1049CO 0.60 0.04 -0.21 -1.49 -1.93 0.00 0.00 178.83 175.85 1y5i h TRP 1050N 0.07 0.52 -0.44 3.99 4.06 -1.97 -0.61 115.95 121.56 1y5i h TRP 1050Ca 0.38 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 61.16 1y5i h TRP 1050Cb 0.63 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 1y5i h TRP 1050CO -0.46 0.65 0.02 0.52 -3.56 0.00 0.00 178.44 175.61 1y5i h MET 1051N 0.42 0.76 0.22 0.49 2.86 -1.39 -0.70 114.93 117.59 1y5i h MET 1051Ca 0.07 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1y5i h MET 1051Cb 0.60 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1y5i h MET 1051CO 0.04 0.82 -0.11 0.00 1.06 0.00 0.00 176.91 178.72 1y5i h ARG 1052N 0.60 -0.28 0.00 1.72 3.08 -1.00 0.18 114.38 118.67 1y5i h ARG 1052Ca 0.13 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1y5i h ARG 1052Cb 0.46 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1y5i h ARG 1052CO 0.02 -0.09 -0.02 -0.44 -1.07 0.00 0.00 179.97 178.37 1y5i h ASP 1053N -0.42 0.00 -0.52 7.04 3.32 -1.08 -1.56 116.42 123.21 1y5i h ASP 1053Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1y5i h ASP 1053Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1y5i h ASP 1053CO 0.05 0.02 0.00 0.49 -1.72 0.00 0.00 179.24 178.08 1y5i n PHE 1054N -3.13 0.99 -1.10 4.55 3.72 -0.28 -0.00 117.46 122.22 1y5i n PHE 1054Ca 0.00 -0.42 -0.03 0.00 -0.05 0.00 0.00 57.45 56.95 1y5i n PHE 1054Cb 0.30 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.70 1y5i n PHE 1054CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y5i n GLY 1055N 1.10 0.64 0.56 1.37 0.00 -0.59 -4.32 105.19 103.95 1y5i n GLY 1055Ca 0.19 -0.91 0.06 0.00 0.00 0.00 0.00 46.02 45.37 1y5i n GLY 1055CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y5i n GLU 1056N -2.89 1.55 0.04 1.61 1.02 0.60 -4.64 120.64 117.92 1y5i n GLU 1056Ca -0.03 -3.23 0.00 0.00 -0.02 0.00 0.00 57.16 53.88 1y5i n GLU 1056Cb 0.11 -1.59 0.31 0.00 -0.02 0.00 0.00 31.44 30.25 1y5i n GLU 1056CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1y5i h SER 1057N 0.90 0.41 -3.47 1.62 4.64 -1.71 -3.42 113.55 112.53 1y5i h SER 1057Ca -0.00 -0.09 -0.44 0.00 -0.47 0.00 0.00 61.79 60.80 1y5i h SER 1057Cb 1.01 -0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 62.84 1y5i h SER 1057CO 0.00 0.53 -0.74 -0.76 -0.87 0.00 0.00 176.83 174.99 1y5i s LEU 1058N -8.93 2.52 0.24 5.97 1.43 -1.26 -1.12 118.68 117.52 1y5i s LEU 1058Ca -0.07 -0.97 -0.31 0.00 -1.03 0.00 0.00 54.13 51.75 1y5i s LEU 1058Cb 0.15 -0.63 -0.13 0.00 0.03 0.00 0.00 46.19 45.61 1y5i s LEU 1058CO 0.76 -0.17 1.48 -0.11 0.23 0.00 0.00 176.35 178.53 1y5i n LEU 1059N -0.15 3.36 -3.82 1.79 7.94 -1.26 -5.00 117.00 119.86 1y5i n LEU 1059Ca -0.10 1.13 -0.11 0.00 -1.11 0.00 0.00 56.01 55.82 1y5i n LEU 1059Cb 0.60 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 43.00 1y5i n LEU 1059CO 0.33 -0.32 -0.07 0.68 -1.11 0.00 0.00 177.39 176.90 1y5i s VAL 1060N 0.14 0.10 0.08 1.96 -7.23 -1.26 -5.01 120.40 109.18 1y5i s VAL 1060Ca 0.69 -0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 1y5i s VAL 1060Cb -0.62 -0.86 -0.06 0.00 0.56 0.00 0.00 36.38 35.40 1y5i s VAL 1060CO 0.47 -0.44 1.14 -0.47 -0.31 0.00 0.00 175.10 175.49 1y5i s TYR 1061N -2.38 3.51 -0.09 2.82 5.04 -1.26 -4.84 117.35 120.14 1y5i s TYR 1061Ca -0.06 1.43 -0.01 0.00 -2.44 0.00 0.00 57.07 55.99 1y5i s TYR 1061Cb -0.02 -3.34 0.03 0.00 0.35 0.00 0.00 41.96 38.97 1y5i s TYR 1061CO -0.03 -0.94 -0.04 1.03 -1.34 0.00 0.00 175.55 174.24 1y5i s ARG 1062N 0.67 1.05 0.66 4.97 1.81 -1.26 -4.09 118.95 122.76 1y5i s ARG 1062Ca 0.55 -0.07 -0.15 0.00 -1.72 0.00 0.00 55.73 54.34 1y5i s ARG 1062Cb -0.28 -1.27 0.00 0.00 -0.45 0.00 0.00 34.95 32.95 1y5i s ARG 1062CO 0.31 -0.28 1.13 -1.25 -0.68 0.00 0.00 175.30 174.52 1y5i s PRO 1063N 1.83 2.74 0.33 3.54 0.04 -1.26 -4.91 135.00 137.31 1y5i s PRO 1063Ca 0.05 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.30 1y5i s PRO 1063Cb -0.12 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 1y5i s PRO 1063CO -0.07 -1.31 0.88 -2.30 0.04 0.00 0.00 177.00 174.25 1y5i n PRO 1064N -2.36 1.09 -1.92 0.56 -0.02 -1.26 -4.92 135.00 126.17 1y5i n PRO 1064Ca 0.11 0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 61.66 1y5i n PRO 1064Cb 0.52 -1.75 0.01 0.00 -0.02 0.00 0.00 33.50 32.25 1y5i n PRO 1064CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1y5i s ILE 1065N -1.17 4.56 -0.35 4.25 -4.36 -1.26 -4.56 121.20 118.30 1y5i s ILE 1065Ca 0.61 0.90 -0.19 0.00 -0.26 0.00 0.00 60.65 61.71 1y5i s ILE 1065Cb -0.67 -3.77 -0.00 0.00 1.25 0.00 0.00 42.46 39.27 1y5i s ILE 1065CO 0.59 -1.02 0.55 -0.62 0.24 0.00 0.00 174.94 174.68 1y5i s ASP 1066N -3.91 6.35 0.00 4.36 -1.08 -1.26 -4.86 116.67 116.27 1y5i s ASP 1066Ca 0.56 0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.88 1y5i s ASP 1066Cb -0.11 -2.28 0.83 0.00 -1.46 0.00 0.00 42.92 39.89 1y5i s ASP 1066CO 0.50 -0.51 1.63 0.35 0.52 0.00 0.00 175.17 177.66 1y5i n THR 1067N 5.47 0.00 -3.48 1.71 -2.24 -1.26 -4.81 114.28 109.66 1y5i n THR 1067Ca -0.04 -0.01 -0.26 0.00 -2.27 0.00 0.00 64.05 61.48 1y5i n THR 1067Cb 0.49 -0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1y5i n THR 1067CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1y5i n ARG 1068N -1.42 -4.57 0.00 -0.78 1.74 -1.26 -4.79 116.66 105.58 1y5i n ARG 1068Ca 0.07 0.62 0.12 0.00 -0.77 0.00 0.00 57.85 57.90 1y5i n ARG 1068Cb 0.33 -5.44 0.23 0.00 -1.02 0.00 0.00 32.46 26.56 1y5i n ARG 1068CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1y5i n SER 1069N -2.54 1.51 -0.07 0.55 3.41 -1.26 -4.64 113.62 110.57 1y5i n SER 1069Ca -0.02 -1.21 -0.12 0.00 -0.26 0.00 0.00 58.87 57.27 1y5i n SER 1069Cb 0.55 0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 64.71 1y5i n SER 1069CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1y5i n VAL 1070N -0.29 0.75 0.18 -3.33 0.31 -1.26 -0.02 118.33 114.67 1y5i n VAL 1070Ca 0.11 -0.24 0.16 0.00 -0.01 0.00 0.00 64.34 64.37 1y5i n VAL 1070Cb 0.40 -1.36 0.78 0.00 -0.91 0.00 0.00 33.84 32.76 1y5i n VAL 1070CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1y5i h LYS 1071N -0.27 0.00 0.00 5.55 1.57 -1.96 -0.84 116.57 120.62 1y5i h LYS 1071Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1y5i h LYS 1071Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1y5i h LYS 1071CO -0.14 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.67 1y5i h GLU 1072N 0.00 0.00 0.00 3.15 3.07 -1.85 -3.36 114.58 115.58 1y5i h GLU 1072Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1y5i h GLU 1072Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1y5i h GLU 1072CO -0.00 0.00 -0.99 1.33 -1.40 0.00 0.00 179.01 177.95 1y5i n VAL 1073N -2.44 0.00 -1.71 3.13 0.24 -0.50 -4.92 118.33 112.13 1y5i n VAL 1073Ca 0.05 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.92 1y5i n VAL 1073Cb 0.44 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 33.13 1y5i n VAL 1073CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1y5i n ILE 1074N -1.53 0.64 -0.40 1.34 3.06 -0.44 -1.61 119.36 120.42 1y5i n ILE 1074Ca 0.00 -0.16 0.00 0.00 -2.50 0.00 0.00 62.75 60.09 1y5i n ILE 1074Cb 0.05 -1.78 0.00 0.00 0.54 0.00 0.00 39.64 38.45 1y5i n ILE 1074CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1y5i n GLY 1075N 2.72 2.09 0.21 4.50 0.00 -1.26 -4.89 105.19 108.57 1y5i n GLY 1075Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1y5i n GLY 1075CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1y5i h GLN 1076N 2.32 0.00 -1.69 1.61 1.08 -1.66 -3.35 115.11 113.42 1y5i h GLN 1076Ca 0.00 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.76 1y5i h GLN 1076Cb 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 27.04 1y5i h GLN 1076CO 0.00 0.00 -1.15 1.63 -0.95 0.00 0.00 178.83 178.36 1y5i n LYS 1077N -2.90 1.01 -1.73 1.46 5.02 -1.26 -5.13 118.16 114.63 1y5i n LYS 1077Ca 0.03 -3.27 -0.41 0.00 -2.02 0.00 0.00 58.31 52.64 1y5i n LYS 1077Cb 0.42 -1.57 0.01 0.00 -0.02 0.00 0.00 35.03 33.87 1y5i n LYS 1077CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1y5i n SER 1078N 0.21 3.10 -0.55 4.39 2.88 -1.26 -4.90 113.62 117.48 1y5i n SER 1078Ca 0.21 1.16 0.05 0.00 -1.33 0.00 0.00 58.87 58.96 1y5i n SER 1078Cb 0.69 -1.55 0.13 0.00 -0.75 0.00 0.00 64.21 62.73 1y5i n SER 1078CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1y5i n ASN 1079N 0.27 2.81 0.00 -3.46 6.94 -1.26 -4.96 115.26 115.60 1y5i n ASN 1079Ca 0.05 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.60 1y5i n ASN 1079Cb 0.39 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 1y5i n ASN 1079CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1y5i n GLY 1080N 0.36 1.23 3.93 4.83 0.00 -1.26 -4.89 105.19 109.40 1y5i n GLY 1080Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1y5i n GLY 1080CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1y5i s ASN 1081N -2.41 6.36 0.47 1.61 0.01 -1.26 -5.06 114.94 114.66 1y5i s ASN 1081Ca 0.00 0.26 -0.24 0.00 -0.71 0.00 0.00 52.86 52.17 1y5i s ASN 1081Cb 0.00 -1.95 -0.07 0.00 0.41 0.00 0.00 41.25 39.63 1y5i s ASN 1081CO 0.00 0.07 1.42 -1.58 -1.51 0.00 0.00 177.10 175.51 1y5i s GLN 1082N -3.00 3.55 0.11 -0.60 0.74 -1.26 -4.92 119.66 114.27 1y5i s GLN 1082Ca 0.36 2.41 0.10 0.00 0.05 0.00 0.00 55.36 58.27 1y5i s GLN 1082Cb -0.12 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.39 1y5i s GLN 1082CO 0.28 -0.93 -0.24 -1.21 -0.55 0.00 0.00 175.29 172.65 1y5i s GLU 1083N -2.56 1.59 -0.08 1.67 2.02 -1.26 -4.41 118.70 115.67 1y5i s GLU 1083Ca 0.64 -1.25 -0.17 0.00 0.02 0.00 0.00 54.97 54.20 1y5i s GLU 1083Cb -0.44 -1.98 0.04 0.00 0.10 0.00 0.00 34.13 31.85 1y5i s GLU 1083CO 0.55 0.47 0.41 0.21 0.02 0.00 0.00 175.26 176.93 1y5i s LYS 1084N -1.94 0.66 0.02 1.61 2.20 -0.87 -4.94 119.74 116.46 1y5i s LYS 1084Ca 0.15 0.20 -0.21 0.00 -0.36 0.00 0.00 55.97 55.74 1y5i s LYS 1084Cb -0.10 0.30 -0.06 0.00 -1.51 0.00 0.00 37.83 36.47 1y5i s LYS 1084CO 0.07 -0.15 0.63 0.00 -0.36 0.00 0.00 175.35 175.54 1y5i s ALA 1085N -0.67 3.47 0.03 3.13 0.00 -1.26 -0.65 121.76 125.81 1y5i s ALA 1085Ca -0.08 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 1y5i s ALA 1085Cb -0.04 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1y5i s ALA 1085CO 0.04 0.17 0.05 -0.51 0.00 0.00 0.00 175.76 175.50 1y5i s LEU 1086N -0.27 1.96 0.05 0.00 1.43 0.03 -4.94 118.68 116.94 1y5i s LEU 1086Ca 0.33 -0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 52.63 1y5i s LEU 1086Cb -0.19 0.41 -0.06 0.00 0.03 0.00 0.00 46.19 46.37 1y5i s LEU 1086CO 0.19 -0.42 1.40 0.21 0.23 0.00 0.00 176.35 177.96 1y5i s ASN 1087N -1.81 6.84 -0.48 2.29 3.04 -0.77 -1.19 114.94 122.86 1y5i s ASN 1087Ca -0.10 2.20 -0.13 0.00 0.04 0.00 0.00 52.86 54.87 1y5i s ASN 1087Cb -0.05 -2.57 0.10 0.00 -1.54 0.00 0.00 41.25 37.19 1y5i s ASN 1087CO -0.02 -0.69 0.39 0.12 -3.04 0.00 0.00 177.10 173.85 1y5i s PHE 1088N 1.92 3.30 0.01 0.43 5.36 0.34 -0.56 117.98 128.78 1y5i s PHE 1088Ca 0.64 -1.35 -0.02 0.00 -0.96 0.00 0.00 56.93 55.24 1y5i s PHE 1088Cb -0.34 -3.38 -0.04 0.00 -0.34 0.00 0.00 43.02 38.93 1y5i s PHE 1088CO 0.28 -0.91 0.18 -0.51 -1.46 0.00 0.00 175.22 172.80 1y5i s LEU 1089N 1.53 4.34 -0.46 6.12 1.43 -0.34 -4.55 118.68 126.74 1y5i s LEU 1089Ca 0.04 0.31 0.09 0.00 -1.03 0.00 0.00 54.13 53.54 1y5i s LEU 1089Cb -0.26 -2.68 0.34 0.00 0.03 0.00 0.00 46.19 43.62 1y5i s LEU 1089CO 0.03 0.24 0.82 0.35 0.23 0.00 0.00 176.35 178.02 1y5i n THR 1090N 0.79 1.26 -0.94 5.49 -2.24 -1.26 -1.28 114.28 116.10 1y5i n THR 1090Ca -0.09 -5.02 -0.31 0.00 -2.27 0.00 0.00 64.05 56.36 1y5i n THR 1090Cb 0.52 -0.79 0.15 0.00 -2.10 0.00 0.00 70.33 68.11 1y5i n THR 1090CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1y5i s PRO 1091N -2.88 1.25 0.21 -0.78 0.04 -1.26 -3.93 135.00 127.65 1y5i s PRO 1091Ca 0.44 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 1y5i s PRO 1091Cb 0.32 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 33.00 1y5i s PRO 1091CO -0.11 -2.37 1.16 -1.01 0.04 0.00 0.00 177.00 174.71 1y5i s HIS 1092N -2.76 3.48 0.75 0.56 3.76 -1.26 0.56 115.29 120.39 1y5i s HIS 1092Ca 0.65 1.52 -0.11 0.00 -0.15 0.00 0.00 55.06 56.97 1y5i s HIS 1092Cb -0.20 -3.37 0.04 0.00 1.11 0.00 0.00 32.58 30.15 1y5i s HIS 1092CO 0.58 -0.95 1.08 1.14 -0.85 0.00 0.00 174.74 175.74 1y5i s GLN 1093N -0.56 2.48 0.20 1.40 -2.07 -0.91 -4.72 119.66 115.48 1y5i s GLN 1093Ca 0.50 0.96 0.21 0.00 -1.82 0.00 0.00 55.36 55.21 1y5i s GLN 1093Cb -0.32 -1.94 0.01 0.00 -1.09 0.00 0.00 33.01 29.67 1y5i s GLN 1093CO 0.38 -1.42 1.08 -0.22 -1.32 0.00 0.00 175.29 173.78 1y5i h LYS 1094N -0.96 0.00 -0.77 9.60 3.64 -1.90 -3.38 116.57 122.80 1y5i h LYS 1094Ca -0.45 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.45 1y5i h LYS 1094Cb 1.23 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.78 1y5i h LYS 1094CO 0.55 0.09 0.23 0.91 -2.27 0.00 0.00 179.45 178.96 1y5i n TRP 1095N -2.80 2.53 0.00 1.91 7.02 -1.26 -4.83 117.44 120.00 1y5i n TRP 1095Ca -0.02 -2.26 0.00 0.00 -1.02 0.00 0.00 57.50 54.20 1y5i n TRP 1095Cb 0.62 -0.87 0.00 0.00 -2.42 0.00 0.00 31.31 28.64 1y5i n TRP 1095CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1y5i n GLY 1096N -0.98 0.94 3.12 6.99 0.00 -1.26 -4.28 105.19 109.72 1y5i n GLY 1096Ca 0.51 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1y5i n GLY 1096CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y5i s ILE 1097N -2.00 2.72 0.00 -0.61 -1.09 -0.56 -4.64 121.20 115.02 1y5i s ILE 1097Ca 0.00 -1.66 0.00 0.00 -2.23 0.00 0.00 60.65 56.76 1y5i s ILE 1097Cb 0.00 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 1y5i s ILE 1097CO 0.00 -0.22 0.00 1.41 -1.23 0.00 0.00 174.94 174.90 1y5i n HIS 1098N 4.52 0.00 1.05 3.97 8.25 -1.26 -0.83 115.22 130.93 1y5i n HIS 1098Ca -0.10 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.48 1y5i n HIS 1098Cb 0.43 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.64 1y5i n HIS 1098CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1y5i n SER 1099N 4.78 1.19 -4.77 0.41 3.41 -1.24 -3.63 113.62 113.78 1y5i n SER 1099Ca 0.00 -0.96 -0.41 0.00 -0.26 0.00 0.00 58.87 57.24 1y5i n SER 1099Cb 0.00 0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1y5i n SER 1099CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1y5i s THR 1100N -2.74 2.85 0.00 6.66 2.01 -0.01 -1.20 115.64 123.21 1y5i s THR 1100Ca 0.15 0.86 0.00 0.00 0.31 0.00 0.00 61.69 63.01 1y5i s THR 1100Cb 0.18 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1y5i s THR 1100CO 0.67 0.20 0.00 -1.22 -0.69 0.00 0.00 174.62 173.59 1y5i n TYR 1101N 0.85 0.00 0.21 4.92 4.02 -1.26 -1.49 117.16 124.41 1y5i n TYR 1101Ca -0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.93 1y5i n TYR 1101Cb 0.42 -0.39 0.44 0.00 -0.02 0.00 0.00 39.34 39.80 1y5i n TYR 1101CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1y5i h SER 1102N 0.00 0.00 0.04 7.72 4.64 -1.34 -1.29 113.55 123.32 1y5i h SER 1102Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y5i h SER 1102Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1y5i h SER 1102CO 0.00 0.29 -0.13 -0.90 -0.87 0.00 0.00 176.83 175.22 1y5i n ASP 1103N -4.08 1.87 -4.68 4.97 5.75 -1.26 -4.65 116.55 114.47 1y5i n ASP 1103Ca -0.02 -1.50 -0.42 0.00 -0.01 0.00 0.00 54.79 52.84 1y5i n ASP 1103Cb 0.35 0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 1y5i n ASP 1103CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1y5i s ASN 1104N -2.18 6.79 0.43 -1.12 3.84 -0.49 -4.91 114.94 117.30 1y5i s ASN 1104Ca 0.29 2.17 0.10 0.00 0.21 0.00 0.00 52.86 55.63 1y5i s ASN 1104Cb 0.20 -2.55 0.96 0.00 -0.55 0.00 0.00 41.25 39.31 1y5i s ASN 1104CO 0.40 -0.78 2.06 0.25 -2.79 0.00 0.00 177.10 176.24 1y5i h LEU 1105N 8.79 0.37 -0.25 3.21 5.85 -1.91 -0.63 115.31 130.75 1y5i h LEU 1105Ca -0.38 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1y5i h LEU 1105Cb 1.18 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1y5i h LEU 1105CO 0.92 0.26 0.15 -0.07 -0.34 0.00 0.00 178.44 179.36 1y5i h LEU 1106N 0.43 0.30 -0.66 2.25 3.38 -1.94 -0.18 115.31 118.90 1y5i h LEU 1106Ca 0.15 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1y5i h LEU 1106Cb 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1y5i h LEU 1106CO -0.04 0.26 -0.25 0.24 0.09 0.00 0.00 178.44 178.74 1y5i h MET 1107N 0.31 0.77 0.00 1.13 2.86 -1.63 -1.65 114.93 116.72 1y5i h MET 1107Ca 0.09 -0.33 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 1y5i h MET 1107Cb 0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1y5i h MET 1107CO -0.02 0.94 -0.35 -0.07 1.06 0.00 0.00 176.91 178.47 1y5i h LEU 1108N 0.66 0.00 0.09 1.22 3.38 -0.88 -0.08 115.31 119.70 1y5i h LEU 1108Ca 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 1y5i h LEU 1108Cb 0.77 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1y5i h LEU 1108CO 0.06 0.35 -1.21 0.74 0.09 0.00 0.00 178.44 178.47 1y5i h THR 1109N 0.00 1.48 0.00 0.22 2.02 -0.75 0.75 112.91 116.63 1y5i h THR 1109Ca -0.00 -2.97 0.00 0.00 0.77 0.00 0.00 66.41 64.21 1y5i h THR 1109Cb 0.64 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 1y5i h THR 1109CO 0.05 0.87 -0.19 -0.07 0.37 0.00 0.00 175.52 176.54 1y5i h LEU 1110N 0.10 0.00 0.00 2.58 4.07 -1.16 -3.44 115.31 117.45 1y5i h LEU 1110Ca -0.13 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1y5i h LEU 1110Cb 1.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.67 1y5i h LEU 1110CO 0.20 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.17 1y5i n GLY 1111N 1.13 1.07 0.79 0.83 0.00 -0.06 -4.99 105.19 103.96 1y5i n GLY 1111Ca 0.03 -0.92 0.02 0.00 0.00 0.00 0.00 46.02 45.15 1y5i n GLY 1111CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y5i n ARG 1112N 0.00 1.69 -1.26 1.61 5.12 -1.25 -4.99 116.66 117.59 1y5i n ARG 1112Ca 0.00 -3.22 -0.09 0.00 -1.93 0.00 0.00 57.85 52.61 1y5i n ARG 1112Cb 0.00 -1.69 -0.04 0.00 -1.16 0.00 0.00 32.46 29.57 1y5i n ARG 1112CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y5i n GLY 1113N -1.13 1.07 0.00 -0.13 0.00 0.25 -4.88 105.19 100.37 1y5i n GLY 1113Ca 0.24 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1y5i n GLY 1113CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y5i n GLY 1114N -1.72 0.11 3.69 -0.02 0.00 -1.26 -4.85 105.19 101.14 1y5i n GLY 1114Ca -0.09 -1.80 -0.54 0.00 0.00 0.00 0.00 46.02 43.59 1y5i n GLY 1114CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1y5i n PRO 1115N -1.60 1.40 -4.15 1.61 -0.02 -1.26 -4.95 135.00 126.03 1y5i n PRO 1115Ca 0.00 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1y5i n PRO 1115Cb 0.00 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.15 1y5i n PRO 1115CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1y5i s VAL 1116N 3.16 0.41 -0.03 -1.45 -7.23 -1.26 -2.07 120.40 111.93 1y5i s VAL 1116Ca 0.95 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 59.24 1y5i s VAL 1116Cb -0.96 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 34.22 1y5i s VAL 1116CO 0.59 -0.77 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.85 1y5i s VAL 1117N -3.81 0.67 -0.06 1.32 1.01 0.02 -4.50 120.40 115.04 1y5i s VAL 1117Ca 0.14 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 1y5i s VAL 1117Cb 0.07 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1y5i s VAL 1117CO -0.04 0.23 0.56 0.26 0.00 0.00 0.00 175.10 176.11 1y5i s TRP 1118N 0.46 3.60 0.09 5.22 0.52 0.12 -1.00 118.94 127.95 1y5i s TRP 1118Ca -0.07 1.08 0.06 0.00 0.02 0.00 0.00 56.10 57.19 1y5i s TRP 1118Cb -0.11 -2.60 -0.03 0.00 -1.15 0.00 0.00 33.47 29.58 1y5i s TRP 1118CO 0.01 0.26 -0.16 -0.51 0.02 0.00 0.00 176.95 176.56 1y5i s LEU 1119N 0.23 2.32 0.70 2.99 1.43 -0.42 -1.35 118.68 124.58 1y5i s LEU 1119Ca 0.30 -0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 1y5i s LEU 1119Cb -0.17 -0.61 0.02 0.00 0.03 0.00 0.00 46.19 45.46 1y5i s LEU 1119CO 0.14 -0.06 1.10 -0.94 0.23 0.00 0.00 176.35 176.82 1y5i s SER 1120N -1.97 4.95 0.24 2.29 1.04 -1.26 -1.44 113.70 117.55 1y5i s SER 1120Ca 0.03 1.91 -0.07 0.00 0.48 0.00 0.00 55.95 58.30 1y5i s SER 1120Cb -0.09 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 63.72 1y5i s SER 1120CO 0.03 -1.74 1.89 -0.33 0.98 0.00 0.00 173.24 174.07 1y5i h GLU 1121N -0.39 1.25 -0.15 4.02 5.08 -1.73 -1.39 114.58 121.28 1y5i h GLU 1121Ca -0.45 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 1y5i h GLU 1121Cb 1.24 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1y5i h GLU 1121CO 0.53 0.87 0.04 0.00 -1.00 0.00 0.00 179.01 179.46 1y5i h ALA 1122N 1.31 0.19 -0.54 3.43 0.00 -1.91 -0.89 119.26 120.85 1y5i h ALA 1122Ca 0.33 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1y5i h ALA 1122Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1y5i h ALA 1122CO -0.06 -0.18 0.17 -0.44 0.00 0.00 0.00 179.25 178.74 1y5i h ASP 1123N 0.05 0.78 -0.74 0.00 3.45 -1.91 -0.95 116.42 117.10 1y5i h ASP 1123Ca 0.05 -0.20 -0.05 0.00 0.43 0.00 0.00 57.03 57.25 1y5i h ASP 1123Cb 0.23 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.77 1y5i h ASP 1123CO -0.00 0.78 0.27 0.00 -1.57 0.00 0.00 179.24 178.71 1y5i h ALA 1124N 1.03 0.97 -0.66 3.45 0.00 -1.16 -1.55 119.26 121.35 1y5i h ALA 1124Ca 0.17 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1y5i h ALA 1124Cb 0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1y5i h ALA 1124CO -0.01 0.62 0.13 0.87 0.00 0.00 0.00 179.25 180.87 1y5i h LYS 1125N 1.09 1.07 -0.91 0.00 1.57 -0.98 0.26 116.57 118.67 1y5i h LYS 1125Ca 0.24 -0.27 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1y5i h LYS 1125Cb 0.26 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1y5i h LYS 1125CO -0.01 0.97 0.59 0.22 -0.57 0.00 0.00 179.45 180.65 1y5i h ASP 1126N 0.99 0.97 0.09 0.86 -0.00 -0.90 -2.09 116.42 116.34 1y5i h ASP 1126Ca 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 1y5i h ASP 1126Cb 0.40 -0.21 0.00 0.00 -0.00 0.00 0.00 39.33 39.52 1y5i h ASP 1126CO 0.01 0.66 -0.04 0.18 -0.00 0.00 0.00 179.24 180.05 1y5i n LEU 1127N -4.52 0.74 -0.58 2.28 4.77 -0.61 -4.92 117.00 114.16 1y5i n LEU 1127Ca 0.12 -0.20 -0.07 0.00 -0.03 0.00 0.00 56.01 55.83 1y5i n LEU 1127Cb 0.11 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1y5i n LEU 1127CO 0.34 0.13 -0.07 0.61 -1.33 0.00 0.00 177.39 177.06 1y5i n GLY 1128N 1.15 0.69 3.70 -0.72 0.00 -0.24 -4.57 105.19 105.20 1y5i n GLY 1128Ca 0.19 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 1y5i n GLY 1128CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y5i s ILE 1129N -2.27 5.28 0.25 -0.61 1.01 0.77 -4.99 121.20 120.64 1y5i s ILE 1129Ca 0.00 0.55 0.05 0.00 0.00 0.00 0.00 60.65 61.26 1y5i s ILE 1129Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1y5i s ILE 1129CO 0.00 0.34 0.34 0.00 0.00 0.00 0.00 174.94 175.62 1y5i s ALA 1130N 0.80 3.89 0.23 9.38 0.00 -1.26 -4.28 121.76 130.51 1y5i s ALA 1130Ca 0.16 -1.27 -0.32 0.00 0.00 0.00 0.00 51.96 50.53 1y5i s ALA 1130Cb -0.14 -1.65 -0.13 0.00 0.00 0.00 0.00 23.12 21.20 1y5i s ALA 1130CO 0.05 0.23 1.43 -3.47 0.00 0.00 0.00 175.76 174.00 1y5i n ASP 1131N -1.38 2.78 0.00 0.00 2.03 -1.26 -1.67 116.55 117.04 1y5i n ASP 1131Ca -0.08 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.36 1y5i n ASP 1131Cb 0.57 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1y5i n ASP 1131CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1y5i n ASN 1132N 2.31 -2.88 -4.77 1.67 5.15 0.98 -4.96 115.26 112.75 1y5i n ASN 1132Ca 0.12 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.74 1y5i n ASN 1132Cb 0.31 -1.17 -0.01 0.00 -0.53 0.00 0.00 39.78 38.38 1y5i n ASN 1132CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1y5i s ASP 1133N -2.18 6.01 0.07 1.20 -0.00 -0.67 -4.54 116.67 116.55 1y5i s ASP 1133Ca 0.00 2.22 -0.31 0.00 -0.00 0.00 0.00 52.55 54.47 1y5i s ASP 1133Cb 0.00 -2.59 -0.06 0.00 -0.00 0.00 0.00 42.92 40.27 1y5i s ASP 1133CO 0.00 -1.02 1.25 0.26 -0.00 0.00 0.00 175.17 175.66 1y5i s TRP 1134N -1.66 3.38 0.22 4.23 0.52 -1.26 -0.98 118.94 123.38 1y5i s TRP 1134Ca 0.67 1.20 0.06 0.00 0.02 0.00 0.00 56.10 58.05 1y5i s TRP 1134Cb -0.26 -3.49 -0.05 0.00 -1.15 0.00 0.00 33.47 28.52 1y5i s TRP 1134CO 0.30 -1.59 -0.08 0.96 0.02 0.00 0.00 176.95 176.56 1y5i s ILE 1135N 1.10 1.45 -0.04 2.03 -4.36 0.43 -0.77 121.20 121.03 1y5i s ILE 1135Ca 0.60 -2.12 0.03 0.00 -0.26 0.00 0.00 60.65 58.91 1y5i s ILE 1135Cb -0.31 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.22 1y5i s ILE 1135CO 0.29 -0.49 -0.13 -0.70 0.24 0.00 0.00 174.94 174.16 1y5i s GLU 1136N -3.73 1.35 -0.11 0.37 2.12 -0.31 -1.90 118.70 116.48 1y5i s GLU 1136Ca 0.24 -0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.15 1y5i s GLU 1136Cb 0.02 -1.20 0.01 0.00 0.26 0.00 0.00 34.13 33.23 1y5i s GLU 1136CO 0.07 0.16 -0.16 0.08 -0.54 0.00 0.00 175.26 174.87 1y5i s VAL 1137N 0.15 1.58 0.16 3.70 1.01 -0.60 -1.99 120.40 124.41 1y5i s VAL 1137Ca -0.04 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1y5i s VAL 1137Cb -0.10 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.88 1y5i s VAL 1137CO 0.01 0.46 0.47 0.72 0.00 0.00 0.00 175.10 176.76 1y5i s PHE 1138N 0.93 -0.21 0.00 5.22 -0.12 -0.31 -0.66 117.98 122.84 1y5i s PHE 1138Ca -0.07 -0.11 0.00 0.00 -0.05 0.00 0.00 56.93 56.70 1y5i s PHE 1138Cb -0.15 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.58 1y5i s PHE 1138CO -0.01 -0.80 0.00 0.27 -0.05 0.00 0.00 175.22 174.62 1y5i n ASN 1139N -0.29 0.00 0.28 1.98 0.23 -0.69 -0.17 115.26 116.59 1y5i n ASN 1139Ca -0.14 -0.33 0.12 0.00 -0.53 0.00 0.00 54.58 53.70 1y5i n ASN 1139Cb 0.63 0.00 0.79 0.00 -2.08 0.00 0.00 39.78 39.12 1y5i n ASN 1139CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1y5i h SER 1140N 0.00 0.00 1.20 0.53 0.02 -0.80 -2.93 113.55 111.57 1y5i h SER 1140Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1y5i h SER 1140Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1y5i h SER 1140CO 0.00 0.02 -0.58 0.78 -1.14 0.00 0.00 176.83 175.92 1y5i h ASN 1141N 0.00 0.00 -0.15 3.07 2.35 -1.83 0.09 115.58 119.11 1y5i h ASN 1141Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1y5i h ASN 1141Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1y5i h ASN 1141CO 0.00 0.58 0.00 0.61 -1.65 0.00 0.00 177.43 176.97 1y5i n GLY 1142N 0.97 -0.74 3.14 2.83 0.00 -0.44 -4.19 105.19 106.76 1y5i n GLY 1142Ca 0.01 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1y5i n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y5i s ALA 1143N -1.00 -0.26 0.05 4.61 0.00 -1.25 -1.71 121.76 122.20 1y5i s ALA 1143Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1y5i s ALA 1143Cb 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1y5i s ALA 1143CO 0.00 -0.30 -0.05 -0.48 0.00 0.00 0.00 175.76 174.92 1y5i s LEU 1144N -1.89 2.36 0.13 0.00 0.05 0.17 -1.46 118.68 118.04 1y5i s LEU 1144Ca -0.08 -0.74 0.10 0.00 0.05 0.00 0.00 54.13 53.46 1y5i s LEU 1144Cb -0.03 -0.00 -0.04 0.00 -2.05 0.00 0.00 46.19 44.07 1y5i s LEU 1144CO -0.02 -0.37 -0.24 0.42 -0.55 0.00 0.00 176.35 175.59 1y5i s THR 1145N -2.47 2.47 0.07 5.48 -4.23 -1.26 -1.55 115.64 114.14 1y5i s THR 1145Ca -0.03 -1.69 -0.26 0.00 -1.18 0.00 0.00 61.69 58.53 1y5i s THR 1145Cb -0.03 -2.11 0.09 0.00 1.34 0.00 0.00 72.50 71.79 1y5i s THR 1145CO -0.03 0.08 1.17 0.00 -0.54 0.00 0.00 174.62 175.30 1y5i s ALA 1146N -1.13 -2.06 0.06 3.99 0.00 -0.80 -4.86 121.76 116.96 1y5i s ALA 1146Ca 0.16 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.10 1y5i s ALA 1146Cb -0.10 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1y5i s ALA 1146CO 0.08 -1.10 -0.01 1.03 0.00 0.00 0.00 175.76 175.75 1y5i s ARG 1147N -2.15 2.59 0.33 0.00 0.52 -0.88 -0.43 118.95 118.93 1y5i s ARG 1147Ca 0.24 -0.78 -0.23 0.00 -0.52 0.00 0.00 55.73 54.44 1y5i s ARG 1147Cb -0.01 -2.56 -0.10 0.00 0.52 0.00 0.00 34.95 32.80 1y5i s ARG 1147CO 0.02 0.56 0.90 0.00 0.02 0.00 0.00 175.30 176.80 1y5i s ALA 1148N -1.23 3.21 -0.23 2.13 0.00 -0.15 -0.80 121.76 124.68 1y5i s ALA 1148Ca 0.24 0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 1y5i s ALA 1148Cb -0.12 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 19.94 1y5i s ALA 1148CO 0.16 0.20 -0.11 0.08 0.00 0.00 0.00 175.76 176.08 1y5i s VAL 1149N -1.76 2.52 -0.15 0.00 1.01 -0.17 -0.01 120.40 121.84 1y5i s VAL 1149Ca 0.52 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1y5i s VAL 1149Cb -0.15 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 1y5i s VAL 1149CO 0.20 0.27 0.23 -0.69 0.00 0.00 0.00 175.10 175.11 1y5i s VAL 1150N 1.28 5.35 -0.10 2.92 1.01 -1.26 -1.29 120.40 128.30 1y5i s VAL 1150Ca 0.00 0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.21 1y5i s VAL 1150Cb -0.16 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1y5i s VAL 1150CO -0.07 0.47 0.45 -0.55 0.00 0.00 0.00 175.10 175.40 1y5i s SER 1151N -0.03 -0.42 0.50 3.32 0.15 -0.52 -4.92 113.70 111.78 1y5i s SER 1151Ca 0.15 0.60 0.28 0.00 0.70 0.00 0.00 55.95 57.67 1y5i s SER 1151Cb -0.13 0.65 1.24 0.00 -1.71 0.00 0.00 66.02 66.08 1y5i s SER 1151CO 0.03 -0.35 1.96 -0.61 1.20 0.00 0.00 173.24 175.48 1y5i h GLN 1152N 4.41 0.00 0.00 5.44 4.15 -1.94 -2.76 115.11 124.40 1y5i h GLN 1152Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1y5i h GLN 1152Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1y5i h GLN 1152CO 0.31 0.15 0.00 2.89 -1.93 0.00 0.00 178.83 180.25 1y5i n ARG 1153N -3.42 0.42 -3.44 1.69 1.85 -1.26 -4.63 116.66 107.88 1y5i n ARG 1153Ca -0.01 0.01 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 1y5i n ARG 1153Cb 0.33 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.15 1y5i n ARG 1153CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1y5i s VAL 1154N -2.56 5.22 0.50 8.89 1.01 -1.21 -2.13 120.40 130.12 1y5i s VAL 1154Ca 0.28 0.57 -0.20 0.00 0.00 0.00 0.00 61.98 62.63 1y5i s VAL 1154Cb 0.19 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 1y5i s VAL 1154CO 0.44 0.24 1.06 -2.16 0.00 0.00 0.00 175.10 174.67 1y5i s PRO 1155N 1.52 3.70 0.47 2.72 0.04 -1.26 -4.26 135.00 137.92 1y5i s PRO 1155Ca 0.16 1.42 -0.23 0.00 0.04 0.00 0.00 61.00 62.38 1y5i s PRO 1155Cb -0.15 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 1y5i s PRO 1155CO 0.08 -0.53 1.12 0.00 0.04 0.00 0.00 177.00 177.71 1y5i n ALA 1156N -1.05 0.67 0.00 8.56 0.00 -1.26 -2.85 120.51 124.58 1y5i n ALA 1156Ca 0.10 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1y5i n ALA 1156Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1y5i n ALA 1156CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y5i n GLY 1157N 1.04 1.49 3.18 0.00 0.00 -1.26 -5.05 105.19 104.59 1y5i n GLY 1157Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1y5i n GLY 1157CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1y5i s MET 1158N -0.92 0.86 0.09 1.61 0.23 -1.13 -1.85 119.30 118.19 1y5i s MET 1158Ca 0.00 -1.11 0.06 0.00 -1.03 0.00 0.00 55.69 53.62 1y5i s MET 1158Cb 0.00 -0.66 -0.03 0.00 -1.53 0.00 0.00 34.83 32.60 1y5i s MET 1158CO 0.00 0.12 -0.17 -0.08 -2.03 0.00 0.00 175.02 172.86 1y5i s THR 1159N -2.06 1.37 -0.14 3.16 -1.32 0.28 -4.36 115.64 112.57 1y5i s THR 1159Ca 0.04 -1.42 -0.00 0.00 -1.21 0.00 0.00 61.69 59.09 1y5i s THR 1159Cb -0.05 -1.29 0.03 0.00 -1.51 0.00 0.00 72.50 69.67 1y5i s THR 1159CO 0.01 -0.16 -0.08 -0.04 -2.21 0.00 0.00 174.62 172.14 1y5i s MET 1160N -1.85 1.67 -0.40 7.08 -1.94 -0.46 -1.20 119.30 122.21 1y5i s MET 1160Ca 0.02 -0.44 -0.05 0.00 -1.71 0.00 0.00 55.69 53.51 1y5i s MET 1160Cb -0.10 -1.88 0.09 0.00 2.01 0.00 0.00 34.83 34.95 1y5i s MET 1160CO 0.03 -0.33 0.19 1.41 -0.01 0.00 0.00 175.02 176.31 1y5i s MET 1161N 1.62 2.24 0.37 2.03 1.75 -0.41 0.12 119.30 127.03 1y5i s MET 1161Ca 0.03 -1.64 -0.28 0.00 -1.25 0.00 0.00 55.69 52.55 1y5i s MET 1161Cb -0.14 -3.58 -0.11 0.00 2.84 0.00 0.00 34.83 33.84 1y5i s MET 1161CO -0.08 -0.97 1.46 0.66 -0.65 0.00 0.00 175.02 175.43 1y5i n TYR 1162N 4.69 2.88 -1.76 4.11 4.01 -1.26 -4.24 117.16 125.59 1y5i n TYR 1162Ca -0.06 0.46 -0.40 0.00 -0.16 0.00 0.00 57.90 57.74 1y5i n TYR 1162Cb 0.42 -2.51 0.01 0.00 -0.31 0.00 0.00 39.34 36.95 1y5i n TYR 1162CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1y5i n HIS 1163N 0.44 2.68 -1.38 -0.72 -0.00 0.19 -4.21 115.22 112.22 1y5i n HIS 1163Ca 0.02 0.45 -0.51 0.00 -0.00 0.00 0.00 57.72 57.67 1y5i n HIS 1163Cb 0.38 -2.46 -0.11 0.00 -0.00 0.00 0.00 29.99 27.80 1y5i n HIS 1163CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y5i n ALA 1164N -0.07 0.53 1.10 1.57 0.00 -1.24 -2.13 120.51 120.27 1y5i n ALA 1164Ca 0.05 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1y5i n ALA 1164Cb 0.40 -2.34 0.15 0.00 0.00 0.00 0.00 19.45 17.67 1y5i n ALA 1164CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1y5i n GLN 1165N 8.03 1.03 0.00 0.00 6.02 -1.26 -3.59 117.38 127.61 1y5i n GLN 1165Ca 0.52 -0.77 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 1y5i n GLN 1165Cb 0.09 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1y5i n GLN 1165CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1y5i n GLU 1166N -0.31 0.00 -0.37 -1.09 0.28 -1.26 -4.70 120.64 113.19 1y5i n GLU 1166Ca 0.10 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.18 1y5i n GLU 1166Cb 0.42 0.00 0.22 0.00 1.43 0.00 0.00 31.44 33.51 1y5i n GLU 1166CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1y5i n ARG 1167N -0.41 2.36 -0.00 3.44 0.63 -1.26 -4.70 116.66 116.71 1y5i n ARG 1167Ca 0.00 -2.80 0.05 0.00 -0.92 0.00 0.00 57.85 54.18 1y5i n ARG 1167Cb 0.00 -1.74 -0.07 0.00 0.45 0.00 0.00 32.46 31.09 1y5i n ARG 1167CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1y5i n ILE 1168N -0.83 0.00 -5.10 5.15 -5.35 -1.26 -4.97 119.36 107.00 1y5i n ILE 1168Ca 0.21 -0.24 -0.32 0.00 -0.27 0.00 0.00 62.75 62.13 1y5i n ILE 1168Cb 0.83 0.46 -0.16 0.00 -1.74 0.00 0.00 39.64 39.03 1y5i n ILE 1168CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1y5i s VAL 1169N -2.48 2.34 -1.23 7.28 1.01 -1.26 -4.88 120.40 121.18 1y5i s VAL 1169Ca -0.02 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 1y5i s VAL 1169Cb 0.07 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 1y5i s VAL 1169CO 0.40 0.55 0.67 -3.20 0.00 0.00 0.00 175.10 173.53 1y5i n ASN 1170N 3.46 -3.60 -3.98 3.32 5.15 -1.26 -4.44 115.26 113.91 1y5i n ASN 1170Ca -0.19 -1.03 -0.26 0.00 -0.60 0.00 0.00 54.58 52.50 1y5i n ASN 1170Cb 0.53 -3.18 -0.17 0.00 -0.53 0.00 0.00 39.78 36.43 1y5i n ASN 1170CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1y5i s LEU 1171N -6.70 1.47 0.75 1.20 1.43 -1.26 -4.59 118.68 110.98 1y5i s LEU 1171Ca 0.32 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 1y5i s LEU 1171Cb -0.12 -0.90 0.13 0.00 0.03 0.00 0.00 46.19 45.33 1y5i s LEU 1171CO 0.88 -0.04 1.04 -2.16 0.23 0.00 0.00 176.35 176.30 1y5i s PRO 1172N 1.20 1.62 0.67 1.29 0.04 -1.26 -4.71 135.00 133.85 1y5i s PRO 1172Ca -0.04 -0.86 -0.14 0.00 0.04 0.00 0.00 61.00 60.00 1y5i s PRO 1172Cb -0.14 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.17 1y5i s PRO 1172CO -0.03 -1.54 1.10 0.20 0.04 0.00 0.00 177.00 176.77 1y5i s GLY 1173N -4.71 2.08 0.02 0.56 0.00 0.52 -1.16 107.32 104.63 1y5i s GLY 1173Ca 0.66 0.49 -0.19 0.00 0.00 0.00 0.00 44.72 45.68 1y5i s GLY 1173CO 0.45 0.84 0.55 -0.45 0.00 0.00 0.00 173.10 174.49 1y5i s SER 1174N -2.73 6.97 0.23 1.64 0.15 0.13 -4.64 113.70 115.45 1y5i s SER 1174Ca 0.66 1.15 0.26 0.00 0.70 0.00 0.00 55.95 58.72 1y5i s SER 1174Cb -0.20 -2.34 0.79 0.00 -1.71 0.00 0.00 66.02 62.56 1y5i s SER 1174CO 0.44 0.20 1.77 -0.33 1.20 0.00 0.00 173.24 176.51 1y5i h GLU 1175N 5.11 0.00 0.07 5.44 5.08 -1.88 -1.32 114.58 127.08 1y5i h GLU 1175Ca -0.48 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.73 1y5i h GLU 1175Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1y5i h GLU 1175CO 0.66 0.00 -0.77 0.82 -1.00 0.00 0.00 179.01 178.72 1y5i h ILE 1176N 0.00 1.40 0.00 3.13 1.08 -1.93 -3.40 117.51 117.79 1y5i h ILE 1176Ca 0.00 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 62.08 1y5i h ILE 1176Cb 0.74 3.00 0.00 0.00 -3.07 0.00 0.00 36.82 37.49 1y5i h ILE 1176CO 0.00 0.62 -1.40 0.35 -0.69 0.00 0.00 178.15 177.03 1y5i n THR 1177N -4.27 0.00 -1.39 -0.27 -2.24 -1.25 -4.98 114.28 99.88 1y5i n THR 1177Ca -0.18 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 1y5i n THR 1177Cb 0.71 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 1y5i n THR 1177CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y5i n GLN 1178N -1.82 -1.02 -4.76 -0.78 1.13 -0.50 -4.98 117.38 104.66 1y5i n GLN 1178Ca -0.00 0.97 -0.33 0.00 -1.94 0.00 0.00 57.00 55.69 1y5i n GLN 1178Cb 0.40 -5.07 -0.07 0.00 0.11 0.00 0.00 30.24 25.60 1y5i n GLN 1178CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1y5i s GLN 1179N -3.11 2.20 0.43 -1.09 -0.21 -1.26 -4.87 119.66 111.76 1y5i s GLN 1179Ca 0.00 -2.41 -0.26 0.00 0.02 0.00 0.00 55.36 52.71 1y5i s GLN 1179Cb 0.00 -1.45 -0.09 0.00 1.00 0.00 0.00 33.01 32.47 1y5i s GLN 1179CO 0.00 -0.40 1.37 -2.13 -2.12 0.00 0.00 175.29 172.02 1y5i n ARG 1180N -1.26 2.16 -1.53 2.91 3.00 -1.26 0.21 116.66 120.89 1y5i n ARG 1180Ca -0.19 0.77 -0.37 0.00 -0.00 0.00 0.00 57.85 58.06 1y5i n ARG 1180Cb 0.67 -2.53 0.07 0.00 0.00 0.00 0.00 32.46 30.67 1y5i n ARG 1180CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1y5i n GLY 1181N 0.66 -0.32 0.00 5.14 0.00 -0.31 -4.56 105.19 105.80 1y5i n GLY 1181Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1y5i n GLY 1181CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y5i n GLY 1182N 1.20 0.27 3.45 -0.02 0.00 -0.54 -4.77 105.19 104.78 1y5i n GLY 1182Ca 0.14 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 1y5i n GLY 1182CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1y5i n ILE 1183N -0.16 0.00 -0.15 -0.61 -5.35 -1.26 -4.02 119.36 107.80 1y5i n ILE 1183Ca 0.00 -2.34 0.10 0.00 -0.27 0.00 0.00 62.75 60.23 1y5i n ILE 1183Cb 0.00 0.62 0.42 0.00 -1.74 0.00 0.00 39.64 38.94 1y5i n ILE 1183CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 1y5i h HIS 1184N 1.42 0.63 -0.10 4.28 2.07 -1.93 0.16 115.15 121.67 1y5i h HIS 1184Ca -0.37 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.16 1y5i h HIS 1184Cb 1.23 -0.20 0.00 0.00 2.57 0.00 0.00 27.41 31.00 1y5i h HIS 1184CO 0.00 0.30 0.00 0.09 -3.07 0.00 0.00 177.93 175.25 1y5i n ASN 1185N -4.49 0.68 0.12 3.10 3.02 -1.26 -2.69 115.26 113.74 1y5i n ASN 1185Ca 0.11 -1.78 0.13 0.00 -0.03 0.00 0.00 54.58 53.01 1y5i n ASN 1185Cb 0.33 -0.07 0.39 0.00 -0.61 0.00 0.00 39.78 39.83 1y5i n ASN 1185CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1y5i h SER 1186N 0.81 0.00 -0.20 6.41 0.02 -1.01 0.26 113.55 119.84 1y5i h SER 1186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1y5i h SER 1186Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1y5i h SER 1186CO 0.00 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.02 1y5i n VAL 1187N -2.38 0.39 -3.76 2.27 0.24 -1.10 -1.33 118.33 112.67 1y5i n VAL 1187Ca 0.05 -0.69 -0.22 0.00 -2.04 0.00 0.00 64.34 61.43 1y5i n VAL 1187Cb 0.42 1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.75 1y5i n VAL 1187CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1y5i s THR 1188N -1.18 2.56 -0.16 3.34 -4.23 -1.23 -4.71 115.64 110.05 1y5i s THR 1188Ca 0.24 -1.46 -0.23 0.00 -1.18 0.00 0.00 61.69 59.06 1y5i s THR 1188Cb 0.14 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 71.04 1y5i s THR 1188CO 0.20 -0.01 0.59 -0.60 -0.54 0.00 0.00 174.62 174.27 1y5i s ARG 1189N -4.05 0.79 0.21 3.99 3.52 -1.26 -2.60 118.95 119.54 1y5i s ARG 1189Ca 0.46 0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 56.33 1y5i s ARG 1189Cb -0.01 0.38 -0.09 0.00 -1.56 0.00 0.00 34.95 33.67 1y5i s ARG 1189CO 0.26 -0.16 1.29 0.42 -0.81 0.00 0.00 175.30 176.31 1y5i s ILE 1190N -0.24 3.23 -0.19 4.11 1.01 -1.26 -4.86 121.20 123.00 1y5i s ILE 1190Ca -0.04 1.03 -0.05 0.00 0.00 0.00 0.00 60.65 61.59 1y5i s ILE 1190Cb -0.03 -3.66 0.07 0.00 0.01 0.00 0.00 42.46 38.85 1y5i s ILE 1190CO 0.03 0.16 0.11 -0.89 0.00 0.00 0.00 174.94 174.36 1y5i s THR 1191N -0.01 -0.12 0.76 2.92 2.01 -1.26 -4.82 115.64 115.12 1y5i s THR 1191Ca 0.55 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 62.23 1y5i s THR 1191Cb -0.36 -0.62 0.05 0.00 0.01 0.00 0.00 72.50 71.58 1y5i s THR 1191CO 0.39 -0.31 1.10 -2.16 -0.69 0.00 0.00 174.62 172.95 1y5i s PRO 1192N 2.16 2.38 -0.11 4.92 0.04 -1.26 -4.83 135.00 138.31 1y5i s PRO 1192Ca 0.03 0.59 0.04 0.00 0.04 0.00 0.00 61.00 61.70 1y5i s PRO 1192Cb -0.16 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1y5i s PRO 1192CO -0.12 -1.40 -0.23 0.21 0.04 0.00 0.00 177.00 175.50 1y5i s LYS 1193N -5.22 2.99 0.40 4.56 2.20 -1.26 -5.04 119.74 118.36 1y5i s LYS 1193Ca 0.60 -0.86 0.12 0.00 -0.36 0.00 0.00 55.97 55.47 1y5i s LYS 1193Cb -0.13 -2.29 0.94 0.00 -1.51 0.00 0.00 37.83 34.83 1y5i s LYS 1193CO 0.53 0.13 1.92 -1.35 -0.36 0.00 0.00 175.35 176.23 1y5i h PRO 1194N 6.85 0.53 0.00 4.03 0.11 -1.98 -1.87 132.00 139.67 1y5i h PRO 1194Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1y5i h PRO 1194Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1y5i h PRO 1194CO 0.49 0.35 0.00 1.79 -0.21 0.00 0.00 178.00 180.42 1y5i h THR 1195N 0.54 0.00 -0.08 -1.15 1.35 -1.96 -0.85 112.91 110.77 1y5i h THR 1195Ca 0.36 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1y5i h THR 1195Cb 0.67 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1y5i h THR 1195CO -0.13 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.55 1y5i n HIS 1196N -2.32 0.08 0.98 4.73 8.25 -0.70 -3.78 115.22 122.45 1y5i n HIS 1196Ca 0.00 -0.04 0.11 0.00 -0.26 0.00 0.00 57.72 57.53 1y5i n HIS 1196Cb 0.13 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.26 1y5i n HIS 1196CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1y5i n MET 1197N 0.72 1.47 -2.10 -0.41 2.81 -0.32 -3.03 117.12 116.27 1y5i n MET 1197Ca 0.17 -1.19 -0.42 0.00 -1.81 0.00 0.00 57.70 54.45 1y5i n MET 1197Cb 0.46 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.48 1y5i n MET 1197CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1y5i s ILE 1198N -2.33 3.11 0.14 2.02 1.01 -1.24 -4.56 121.20 119.34 1y5i s ILE 1198Ca 0.20 0.79 0.03 0.00 0.00 0.00 0.00 60.65 61.67 1y5i s ILE 1198Cb 0.18 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.13 1y5i s ILE 1198CO 0.50 0.06 0.10 0.61 0.00 0.00 0.00 174.94 176.22 1y5i n GLY 1199N 3.58 3.61 2.87 6.18 0.00 -1.24 -4.31 105.19 115.88 1y5i n GLY 1199Ca 0.12 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.16 1y5i n GLY 1199CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y5i n GLY 1200N -0.04 -0.50 2.28 -0.02 0.00 -1.16 -4.79 105.19 100.95 1y5i n GLY 1200Ca 0.02 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1y5i n GLY 1200CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1y5i n TYR 1201N -3.91 -0.83 0.00 1.61 9.36 -0.23 -2.42 117.16 120.73 1y5i n TYR 1201Ca -0.11 -3.28 0.00 0.00 3.32 0.00 0.00 57.90 57.83 1y5i n TYR 1201Cb 0.60 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 39.26 1y5i n TYR 1201CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1y5i n ALA 1202N 1.47 0.00 0.28 2.98 0.00 -0.14 -0.47 120.51 124.62 1y5i n ALA 1202Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.78 1y5i n ALA 1202Cb 0.54 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.78 1y5i n ALA 1202CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1y5i h HIS 1203N 0.00 0.00 -3.24 0.00 2.07 -1.88 -3.21 115.15 108.89 1y5i h HIS 1203Ca 0.00 0.00 -0.78 0.00 -2.85 0.00 0.00 60.37 56.74 1y5i h HIS 1203Cb 0.00 0.00 -0.30 0.00 2.57 0.00 0.00 27.41 29.68 1y5i h HIS 1203CO 0.00 0.08 0.46 1.28 -3.07 0.00 0.00 177.93 176.68 1y5i n LEU 1204N -3.42 5.60 -3.98 6.12 4.77 0.38 -4.75 117.00 121.71 1y5i n LEU 1204Ca -0.01 -5.13 -0.09 0.00 -0.03 0.00 0.00 56.01 50.75 1y5i n LEU 1204Cb 0.24 -1.32 -0.10 0.00 -2.33 0.00 0.00 43.42 39.91 1y5i n LEU 1204CO 0.28 1.53 -0.28 0.00 -1.33 0.00 0.00 177.39 177.59 1y5i s ALA 1205N -1.89 0.11 0.68 -1.18 0.00 -1.21 -1.07 121.76 117.20 1y5i s ALA 1205Ca 0.31 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 1y5i s ALA 1205Cb -0.03 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1y5i s ALA 1205CO -0.02 -0.30 1.14 -0.47 0.00 0.00 0.00 175.76 176.11 1y5i s TYR 1206N -2.71 2.42 -0.27 0.00 6.14 -1.04 -4.13 117.35 117.76 1y5i s TYR 1206Ca -0.04 1.57 -0.25 0.00 0.64 0.00 0.00 57.07 58.99 1y5i s TYR 1206Cb -0.01 -3.27 0.11 0.00 0.42 0.00 0.00 41.96 39.21 1y5i s TYR 1206CO -0.05 -1.99 0.94 0.20 0.64 0.00 0.00 175.55 175.29 1y5i s GLY 1207N -2.40 -0.26 -0.08 8.97 0.00 -1.26 -0.14 107.32 112.14 1y5i s GLY 1207Ca 0.69 2.47 -0.31 0.00 0.00 0.00 0.00 44.72 47.57 1y5i s GLY 1207CO 0.43 1.78 2.03 0.33 0.00 0.00 0.00 173.10 177.66 1y5i n PHE 1208N 2.28 2.29 -0.81 1.90 -0.00 -1.26 -0.84 117.46 121.01 1y5i n PHE 1208Ca -0.13 -0.19 0.00 0.00 -0.00 0.00 0.00 57.45 57.13 1y5i n PHE 1208Cb 0.56 -2.74 0.00 0.00 -0.00 0.00 0.00 39.48 37.30 1y5i n PHE 1208CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1y5i n ASN 1209N 8.45 -1.02 -0.00 -2.13 3.02 -1.26 -4.85 115.26 117.47 1y5i n ASN 1209Ca 0.24 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.63 1y5i n ASN 1209Cb 0.38 -1.38 -0.14 0.00 -0.61 0.00 0.00 39.78 38.03 1y5i n ASN 1209CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y5i n TYR 1210N -2.12 1.17 -4.02 3.10 4.19 -0.02 -4.65 117.16 114.80 1y5i n TYR 1210Ca 0.00 0.30 -0.10 0.00 3.31 0.00 0.00 57.90 61.42 1y5i n TYR 1210Cb 0.06 -1.17 -0.06 0.00 0.49 0.00 0.00 39.34 38.65 1y5i n TYR 1210CO 0.00 0.00 0.00 -0.47 0.91 0.00 0.00 176.86 177.30 1y5i s TYR 1211N -2.57 0.50 0.00 2.98 5.04 -1.19 -4.73 117.35 117.38 1y5i s TYR 1211Ca -0.16 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 53.63 1y5i s TYR 1211Cb 0.07 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.40 1y5i s TYR 1211CO 0.79 -0.89 0.00 0.41 -1.34 0.00 0.00 175.55 174.52 1y5i n GLY 1212N -0.34 3.13 3.76 8.97 0.00 -1.17 -4.71 105.19 114.83 1y5i n GLY 1212Ca -0.02 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 1y5i n GLY 1212CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y5i s THR 1213N -2.02 2.78 0.15 2.61 -4.23 -1.21 -4.81 115.64 108.91 1y5i s THR 1213Ca 0.00 0.46 0.10 0.00 -1.18 0.00 0.00 61.69 61.07 1y5i s THR 1213Cb 0.00 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 1y5i s THR 1213CO 0.00 -0.13 -0.20 0.68 -0.54 0.00 0.00 174.62 174.43 1y5i s VAL 1214N -1.75 2.67 -1.09 2.29 -7.23 -1.26 -4.30 120.40 109.74 1y5i s VAL 1214Ca 0.75 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 59.15 1y5i s VAL 1214Cb -0.28 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.44 1y5i s VAL 1214CO 0.34 0.01 2.69 0.61 -0.31 0.00 0.00 175.10 178.43 1y5i n GLY 1215N 0.55 4.66 3.70 2.32 0.00 -1.00 -4.79 105.19 110.63 1y5i n GLY 1215Ca -0.14 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1y5i n GLY 1215CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y5i s SER 1216N 0.85 3.67 0.00 1.61 1.04 -1.26 -4.56 113.70 115.06 1y5i s SER 1216Ca 0.59 2.35 0.00 0.00 0.48 0.00 0.00 55.95 59.37 1y5i s SER 1216Cb 0.24 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1y5i s SER 1216CO -0.11 -2.61 0.00 -0.46 0.98 0.00 0.00 173.24 171.04 1y5i n ASN 1217N -3.25 0.00 0.19 7.02 0.23 0.08 -4.82 115.26 114.70 1y5i n ASN 1217Ca 0.13 -0.01 0.14 0.00 -0.53 0.00 0.00 54.58 54.31 1y5i n ASN 1217Cb 0.51 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.74 1y5i n ASN 1217CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1y5i h ARG 1218N 0.00 0.00 0.00 -3.83 2.47 -1.52 -3.02 114.38 108.47 1y5i h ARG 1218Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1y5i h ARG 1218Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1y5i h ARG 1218CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 179.97 180.28 1y5i n ASP 1219N -2.63 0.10 -4.77 7.04 9.92 -1.26 -4.62 116.55 120.33 1y5i n ASP 1219Ca 0.02 0.52 -0.40 0.00 -0.53 0.00 0.00 54.79 54.40 1y5i n ASP 1219Cb 0.30 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 1y5i n ASP 1219CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1y5i s GLU 1220N -3.04 3.99 0.16 -1.24 2.56 -1.15 -4.72 118.70 115.25 1y5i s GLU 1220Ca 0.07 2.45 0.11 0.00 0.00 0.00 0.00 54.97 57.60 1y5i s GLU 1220Cb 0.10 -2.86 -0.04 0.00 2.00 0.00 0.00 34.13 33.33 1y5i s GLU 1220CO 0.31 -0.58 -0.22 -0.06 -0.56 0.00 0.00 175.26 174.15 1y5i s PHE 1221N -1.16 2.39 0.10 5.30 0.08 -1.26 -0.50 117.98 122.92 1y5i s PHE 1221Ca 0.55 -0.33 -0.03 0.00 0.12 0.00 0.00 56.93 57.24 1y5i s PHE 1221Cb -0.44 -1.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 1y5i s PHE 1221CO 0.59 0.43 0.06 0.14 -0.10 0.00 0.00 175.22 176.33 1y5i s VAL 1222N -1.37 0.15 -0.10 -0.44 -7.23 -0.33 -4.72 120.40 106.36 1y5i s VAL 1222Ca 0.18 -1.74 -0.11 0.00 -1.81 0.00 0.00 61.98 58.50 1y5i s VAL 1222Cb -0.09 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1y5i s VAL 1222CO 0.09 -0.67 0.26 -0.69 -0.31 0.00 0.00 175.10 173.77 1y5i s VAL 1223N -3.97 5.31 0.04 1.32 1.01 0.76 -0.79 120.40 124.08 1y5i s VAL 1223Ca 0.15 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.68 1y5i s VAL 1223Cb 0.07 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1y5i s VAL 1223CO -0.04 0.55 -0.22 -0.69 0.00 0.00 0.00 175.10 174.70 1y5i s VAL 1224N -0.65 1.74 0.05 2.92 1.01 0.18 -1.17 120.40 124.48 1y5i s VAL 1224Ca 0.18 -1.22 -0.27 0.00 0.00 0.00 0.00 61.98 60.67 1y5i s VAL 1224Cb -0.14 -1.51 0.08 0.00 0.00 0.00 0.00 36.38 34.81 1y5i s VAL 1224CO 0.07 0.24 0.68 0.00 0.00 0.00 0.00 175.10 176.09 1y5i s ARG 1225N -1.16 1.11 0.29 2.72 1.70 -0.84 -2.06 118.95 120.70 1y5i s ARG 1225Ca 0.08 -0.15 -0.29 0.00 -0.47 0.00 0.00 55.73 54.90 1y5i s ARG 1225Cb -0.09 0.51 -0.10 0.00 -0.57 0.00 0.00 34.95 34.71 1y5i s ARG 1225CO 0.02 -0.43 1.15 0.21 -1.08 0.00 0.00 175.30 175.16 1y5i s LYS 1226N -2.58 4.57 0.56 3.89 2.20 -1.26 -1.16 119.74 125.96 1y5i s LYS 1226Ca -0.03 1.90 -0.12 0.00 -0.36 0.00 0.00 55.97 57.36 1y5i s LYS 1226Cb -0.01 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 33.10 1y5i s LYS 1226CO -0.03 0.12 0.98 -1.64 -0.36 0.00 0.00 175.35 174.42 1y5i s MET 1227N -1.52 3.72 0.00 4.03 -1.94 0.05 -4.80 119.30 118.84 1y5i s MET 1227Ca 0.45 0.76 0.00 0.00 -1.71 0.00 0.00 55.69 55.19 1y5i s MET 1227Cb -0.34 -2.14 0.00 0.00 2.01 0.00 0.00 34.83 34.36 1y5i s MET 1227CO 0.44 -0.41 0.00 1.17 -0.01 0.00 0.00 175.02 176.21 1y5i n LYS 1228N -2.23 0.00 -3.03 2.03 4.81 -1.26 -4.55 118.16 113.93 1y5i n LYS 1228Ca 0.06 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.10 1y5i n LYS 1228Cb 0.54 -0.30 -0.05 0.00 0.02 0.00 0.00 35.03 35.24 1y5i n LYS 1228CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1y5i s ASN 1229N -4.21 6.99 -0.60 3.14 0.01 -1.26 0.45 114.94 119.46 1y5i s ASN 1229Ca 0.00 1.19 0.00 0.00 -0.71 0.00 0.00 52.86 53.34 1y5i s ASN 1229Cb 0.00 -2.42 0.15 0.00 0.41 0.00 0.00 41.25 39.39 1y5i s ASN 1229CO 0.00 -0.14 0.38 -0.63 -1.51 0.00 0.00 177.10 175.20 1y5i s ILE 1230N 0.93 3.28 -0.20 0.60 1.01 0.10 -4.84 121.20 122.08 1y5i s ILE 1230Ca 0.38 -3.18 -0.08 0.00 0.00 0.00 0.00 60.65 57.77 1y5i s ILE 1230Cb -0.18 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1y5i s ILE 1230CO 0.18 -0.86 0.07 -1.81 0.00 0.00 0.00 174.94 172.52 1y5i s ASP 1231N 0.20 5.55 0.01 3.58 1.01 -1.26 -0.80 116.67 124.96 1y5i s ASP 1231Ca 0.18 0.01 0.26 0.00 0.71 0.00 0.00 52.55 53.71 1y5i s ASP 1231Cb -0.22 -1.97 0.63 0.00 1.01 0.00 0.00 42.92 42.37 1y5i s ASP 1231CO -0.03 0.11 1.50 0.79 0.21 0.00 0.00 175.17 177.76 1y5i n TRP 1232N 3.93 0.04 -2.71 4.23 7.02 -1.26 -0.35 117.44 128.34 1y5i n TRP 1232Ca -0.16 0.01 -0.21 0.00 -1.02 0.00 0.00 57.50 56.12 1y5i n TRP 1232Cb 0.52 -0.32 0.01 0.00 -2.42 0.00 0.00 31.31 29.10 1y5i n TRP 1232CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1y5i n LEU 1233N -1.54 -2.25 0.00 -0.99 4.32 -1.26 -4.58 117.00 110.69 1y5i n LEU 1233Ca 0.06 -0.14 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 1y5i n LEU 1233Cb 0.34 -2.92 0.00 0.00 -1.62 0.00 0.00 43.42 39.22 1y5i n LEU 1233CO 0.34 -0.00 0.29 -0.90 -1.22 0.00 0.00 177.39 175.90 1y5i n ASP 1234N -2.25 1.14 0.00 -1.43 5.68 -1.26 -5.00 116.55 113.43 1y5i n ASP 1234Ca -0.18 -1.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1y5i n ASP 1234Cb 0.65 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1y5i n ASP 1234CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y5i n GLY 1235N -0.13 0.57 0.15 6.12 0.00 -1.26 -4.89 105.19 105.75 1y5i n GLY 1235Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1y5i n GLY 1235CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1y5i h GLU 1236N 1.48 0.00 -3.32 1.61 5.08 -1.97 -3.47 114.58 113.99 1y5i h GLU 1236Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1y5i h GLU 1236Cb 0.11 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.40 1y5i h GLU 1236CO 0.00 0.00 -0.43 0.41 -1.00 0.00 0.00 179.01 177.99 1y5i n GLY 1237N 1.04 -0.17 2.46 -3.84 0.00 -1.26 -4.94 105.19 98.48 1y5i n GLY 1237Ca 0.04 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1y5i n GLY 1237CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y5i n ASN 1238N -1.28 2.60 -4.73 1.61 2.85 -1.26 -5.07 115.26 109.98 1y5i n ASN 1238Ca -0.08 -3.25 -0.23 0.00 -0.11 0.00 0.00 54.58 50.91 1y5i n ASN 1238Cb 0.59 -0.63 -0.06 0.00 1.24 0.00 0.00 39.78 40.92 1y5i n ASN 1238CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1y5i s ASP 1239N -2.42 5.03 0.32 1.20 -0.00 -1.26 -4.75 116.67 114.79 1y5i s ASP 1239Ca 0.41 -0.43 0.05 0.00 -0.00 0.00 0.00 52.55 52.58 1y5i s ASP 1239Cb 0.22 -1.13 -0.06 0.00 -0.00 0.00 0.00 42.92 41.95 1y5i s ASP 1239CO -0.08 -0.01 0.01 -1.10 -0.00 0.00 0.00 175.17 173.99 1y5i s GLN 1240N -3.67 1.65 -0.09 8.23 1.11 0.02 -5.00 119.66 121.92 1y5i s GLN 1240Ca 0.32 -1.89 0.01 0.00 0.01 0.00 0.00 55.36 53.80 1y5i s GLN 1240Cb -0.07 -1.09 0.02 0.00 -1.01 0.00 0.00 33.01 30.86 1y5i s GLN 1240CO 0.22 -0.08 -0.08 0.08 0.01 0.00 0.00 175.29 175.44 1y5i s VAL 1241N -3.10 0.98 -0.07 1.09 1.01 -1.26 0.01 120.40 119.07 1y5i s VAL 1241Ca 0.33 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 1y5i s VAL 1241Cb 0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1y5i s VAL 1241CO 0.14 0.35 0.64 -1.10 0.00 0.00 0.00 175.10 175.13 1y5i s GLN 1242N 1.32 4.41 0.15 2.72 -0.21 0.17 -4.98 119.66 123.23 1y5i s GLN 1242Ca -0.03 0.77 -0.26 0.00 0.02 0.00 0.00 55.36 55.86 1y5i s GLN 1242Cb -0.14 -3.43 -0.07 0.00 1.00 0.00 0.00 33.01 30.37 1y5i s GLN 1242CO -0.04 0.12 0.82 -2.00 -2.12 0.00 0.00 175.29 172.07 1y5i s GLU 1243N 0.63 4.61 0.00 2.91 2.56 -1.26 -4.67 118.70 123.48 1y5i s GLU 1243Ca 0.34 1.22 0.00 0.00 0.00 0.00 0.00 54.97 56.53 1y5i s GLU 1243Cb -0.17 -3.30 0.00 0.00 2.00 0.00 0.00 34.13 32.66 1y5i s GLU 1243CO 0.16 0.47 0.00 0.43 -0.56 0.00 0.00 175.26 175.77