#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0i s ARG 2 N 0.00 3.34 0.30 2.12 1.81 -1.26 -4.88 118.95 120.38 1j0i s ARG 2 Ca 0.00 -0.11 0.04 0.00 -1.72 0.00 0.00 55.73 53.95 1j0i s ARG 2 Cb 0.00 -4.10 0.49 0.00 -0.45 0.00 0.00 34.95 30.90 1j0i s ARG 2 CO 0.00 -1.81 1.76 0.87 -0.68 0.00 0.00 175.30 175.44 1j0i h LYS 3 N 9.66 0.40 0.00 3.54 1.57 -2.03 -2.77 116.57 126.94 1j0i h LYS 3 Ca -0.27 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1j0i h LYS 3 Cb 1.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1j0i h LYS 3 CO 1.20 0.62 0.00 1.05 -0.57 0.00 0.00 179.45 181.75 1j0i h GLU 4 N 0.36 0.00 0.00 3.15 9.09 -2.02 -1.74 114.58 123.42 1j0i h GLU 4 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 1j0i h GLU 4 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.72 1j0i h GLU 4 CO 0.04 0.00 -1.43 0.00 0.05 0.00 0.00 179.01 177.68 1j0i n ALA 5 N -1.82 2.85 -1.77 1.06 0.00 -1.05 -4.91 120.51 114.87 1j0i n ALA 5 Ca -0.00 -0.39 -0.38 0.00 0.00 0.00 0.00 53.44 52.67 1j0i n ALA 5 Cb 0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 1j0i n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j0i s ILE 6 N -3.39 3.76 -0.27 0.00 1.01 -0.66 -4.08 121.20 117.57 1j0i s ILE 6 Ca -0.03 1.57 -0.24 0.00 0.00 0.00 0.00 60.65 61.95 1j0i s ILE 6 Cb 0.12 -3.92 0.08 0.00 0.01 0.00 0.00 42.46 38.76 1j0i s ILE 6 CO 0.84 0.22 0.79 -0.47 0.00 0.00 0.00 174.94 176.32 1j0i s TYR 7 N -1.41 -0.74 -0.16 3.97 5.04 0.26 -4.98 117.35 119.33 1j0i s TYR 7 Ca 0.50 1.77 -0.28 0.00 -2.44 0.00 0.00 57.07 56.62 1j0i s TYR 7 Cb -0.25 0.31 0.08 0.00 0.35 0.00 0.00 41.96 42.44 1j0i s TYR 7 CO 0.32 -0.36 0.74 -1.58 -1.34 0.00 0.00 175.55 173.34 1j0i s HIS 8 N 0.43 -0.68 -0.28 4.97 5.65 -1.26 -2.17 115.29 121.95 1j0i s HIS 8 Ca 0.00 1.41 -0.08 0.00 0.25 0.00 0.00 55.06 56.65 1j0i s HIS 8 Cb -0.05 0.35 0.13 0.00 -1.18 0.00 0.00 32.58 31.84 1j0i s HIS 8 CO -0.02 -0.47 0.59 0.50 -0.65 0.00 0.00 174.74 174.69 1j0i s ARG 9 N -0.46 0.52 -0.36 2.88 3.52 -1.26 -5.05 118.95 118.74 1j0i s ARG 9 Ca -0.05 1.26 -0.11 0.00 -0.13 0.00 0.00 55.73 56.70 1j0i s ARG 9 Cb -0.02 0.66 -0.11 0.00 -1.56 0.00 0.00 34.95 33.92 1j0i s ARG 9 CO 0.05 -0.30 1.36 -2.30 -0.81 0.00 0.00 175.30 173.30 1j0i n PRO 10 N 5.43 0.03 -3.29 5.12 -0.02 -1.26 -4.47 135.00 136.54 1j0i n PRO 10 Ca -0.09 -0.64 0.00 0.00 -2.02 0.00 0.00 63.50 60.75 1j0i n PRO 10 Cb 0.49 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1j0i n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j0i n ALA 11 N 9.91 0.00 0.00 3.55 0.00 -1.22 -4.89 120.51 127.85 1j0i n ALA 11 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1j0i n ALA 11 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1j0i n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1j0i n ASP 12 N 0.87 0.00 -0.15 0.00 8.00 -1.26 -1.03 116.55 122.99 1j0i n ASP 12 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1j0i n ASP 12 Cb 0.00 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.44 1j0i n ASP 12 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1j0i n ASN 13 N 3.21 0.80 -0.03 -2.24 6.94 -1.26 -4.26 115.26 118.42 1j0i n ASN 13 Ca 0.00 -0.63 -0.02 0.00 -0.02 0.00 0.00 54.58 53.91 1j0i n ASN 13 Cb 0.00 0.17 -0.13 0.00 -2.36 0.00 0.00 39.78 37.45 1j0i n ASN 13 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1j0i n PHE 14 N -0.98 0.41 -3.64 -2.53 3.01 -0.20 -4.62 117.46 108.91 1j0i n PHE 14 Ca 0.10 0.14 -0.09 0.00 1.01 0.00 0.00 57.45 58.60 1j0i n PHE 14 Cb 0.34 -0.94 -0.10 0.00 -0.01 0.00 0.00 39.48 38.77 1j0i n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j0i s ALA 15 N -2.86 -1.05 0.07 4.37 0.00 -1.01 0.31 121.76 121.59 1j0i s ALA 15 Ca -0.07 1.36 -0.26 0.00 0.00 0.00 0.00 51.96 53.00 1j0i s ALA 15 Cb 0.09 -1.30 0.08 0.00 0.00 0.00 0.00 23.12 21.99 1j0i s ALA 15 CO 0.84 -0.77 0.73 1.52 0.00 0.00 0.00 175.76 178.07 1j0i s TYR 16 N 2.58 -0.47 -0.07 0.00 -0.85 -0.90 -3.45 117.35 114.18 1j0i s TYR 16 Ca -0.00 0.35 -0.27 0.00 -0.52 0.00 0.00 57.07 56.63 1j0i s TYR 16 Cb -0.12 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 1j0i s TYR 16 CO -0.12 -0.70 0.86 0.00 -1.52 0.00 0.00 175.55 174.07 1j0i s ALA 17 N -3.24 3.32 -0.03 9.51 0.00 -1.26 -0.76 121.76 129.30 1j0i s ALA 17 Ca 0.02 0.28 -0.14 0.00 0.00 0.00 0.00 51.96 52.12 1j0i s ALA 17 Cb -0.01 -3.21 -0.32 0.00 0.00 0.00 0.00 23.12 19.58 1j0i s ALA 17 CO -0.09 -0.33 0.76 -0.92 0.00 0.00 0.00 175.76 175.17 1j0i h TYR 18 N 6.94 0.75 -3.84 0.00 3.20 -0.91 -3.42 116.97 119.69 1j0i h TYR 18 Ca -0.37 -0.55 -0.18 0.00 3.14 0.00 0.00 58.73 60.77 1j0i h TYR 18 Cb 1.18 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.35 1j0i h TYR 18 CO 0.68 1.61 -0.10 0.16 -1.64 0.00 0.00 178.16 178.87 1j0i s ASP 19 N -7.32 0.53 0.66 -2.11 3.84 -1.20 -4.93 116.67 106.14 1j0i s ASP 19 Ca -0.14 -1.31 0.21 0.00 -0.00 0.00 0.00 52.55 51.31 1j0i s ASP 19 Cb 0.05 0.67 1.11 0.00 -1.38 0.00 0.00 42.92 43.37 1j0i s ASP 19 CO 0.87 -1.32 1.62 0.77 -0.00 0.00 0.00 175.17 177.11 1j0i h SER 20 N 2.13 0.00 0.00 2.11 4.64 -1.93 -2.41 113.55 118.08 1j0i h SER 20 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1j0i h SER 20 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1j0i h SER 20 CO 0.38 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.50 1j0i n GLU 21 N -2.83 0.04 -4.93 4.77 0.00 -1.26 -4.84 120.64 111.59 1j0i n GLU 21 Ca -0.00 -0.51 -0.28 0.00 0.00 0.00 0.00 57.16 56.37 1j0i n GLU 21 Cb 0.62 -0.80 -0.17 0.00 0.00 0.00 0.00 31.44 31.09 1j0i n GLU 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1j0i s THR 22 N -0.16 1.62 0.02 3.84 2.01 -0.91 -4.33 115.64 117.73 1j0i s THR 22 Ca 0.00 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1j0i s THR 22 Cb 0.00 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1j0i s THR 22 CO 0.00 0.46 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.62 1j0i s LEU 23 N 0.34 3.47 -0.01 4.42 1.43 0.10 -0.19 118.68 128.25 1j0i s LEU 23 Ca -0.13 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1j0i s LEU 23 Cb -0.16 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1j0i s LEU 23 CO 0.05 0.26 -0.18 -1.00 0.23 0.00 0.00 176.35 175.71 1j0i s HIS 24 N -1.12 2.56 -0.01 0.29 3.76 0.06 0.25 115.29 121.08 1j0i s HIS 24 Ca 0.21 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1j0i s HIS 24 Cb -0.12 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 32.05 1j0i s HIS 24 CO 0.12 0.16 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.65 1j0i s LEU 25 N -0.97 1.69 0.23 0.89 1.43 -0.18 -2.12 118.68 119.65 1j0i s LEU 25 Ca 0.12 -0.02 0.11 0.00 -1.03 0.00 0.00 54.13 53.32 1j0i s LEU 25 Cb -0.10 -0.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.95 1j0i s LEU 25 CO 0.02 -0.03 -0.22 -0.13 0.23 0.00 0.00 176.35 176.23 1j0i s ARG 26 N 0.35 1.58 -0.01 1.70 0.52 0.15 -2.00 118.95 121.24 1j0i s ARG 26 Ca -0.03 -1.63 -0.00 0.00 -0.52 0.00 0.00 55.73 53.54 1j0i s ARG 26 Cb -0.05 -1.77 0.01 0.00 0.52 0.00 0.00 34.95 33.65 1j0i s ARG 26 CO -0.01 0.36 0.01 -1.17 0.02 0.00 0.00 175.30 174.51 1j0i s LEU 27 N -3.07 1.81 -0.11 2.53 2.96 -0.94 -4.82 118.68 117.04 1j0i s LEU 27 Ca 0.25 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 1j0i s LEU 27 Cb -0.06 0.00 -0.00 0.00 0.50 0.00 0.00 46.19 46.63 1j0i s LEU 27 CO 0.12 -0.03 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.30 1j0i s ARG 28 N 0.21 3.11 0.29 1.98 3.52 -0.92 -0.20 118.95 126.94 1j0i s ARG 28 Ca -0.02 -0.84 0.02 0.00 -0.13 0.00 0.00 55.73 54.76 1j0i s ARG 28 Cb -0.03 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 1j0i s ARG 28 CO -0.01 0.19 0.13 0.95 -0.81 0.00 0.00 175.30 175.75 1j0i s THR 29 N 0.34 0.44 0.21 4.11 -4.23 -0.94 -0.57 115.64 115.00 1j0i s THR 29 Ca -0.18 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.03 1j0i s THR 29 Cb -0.18 -2.56 -0.09 0.00 1.34 0.00 0.00 72.50 71.02 1j0i s THR 29 CO 0.08 0.00 1.31 -0.75 -0.54 0.00 0.00 174.62 174.73 1j0i s LYS 30 N -3.91 4.39 0.09 3.99 2.20 -1.26 -0.88 119.74 124.36 1j0i s LYS 30 Ca 0.36 2.07 -0.36 0.00 -0.36 0.00 0.00 55.97 57.68 1j0i s LYS 30 Cb 0.06 -3.18 -0.17 0.00 -1.51 0.00 0.00 37.83 33.03 1j0i s LYS 30 CO 0.16 -0.25 1.35 1.17 -0.36 0.00 0.00 175.35 177.42 1j0i n LYS 31 N 2.49 1.21 -1.64 4.03 4.81 0.58 -0.89 118.16 128.75 1j0i n LYS 31 Ca 0.06 0.43 -0.18 0.00 -0.87 0.00 0.00 58.31 57.75 1j0i n LYS 31 Cb 0.43 -2.08 -0.07 0.00 0.02 0.00 0.00 35.03 33.33 1j0i n LYS 31 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1j0i n ASP 32 N 2.56 -4.77 -0.04 3.14 8.00 -1.26 -4.83 116.55 119.35 1j0i n ASP 32 Ca 0.18 0.39 -0.06 0.00 0.71 0.00 0.00 54.79 56.01 1j0i n ASP 32 Cb 0.20 -4.24 -0.14 0.00 -0.02 0.00 0.00 41.12 36.92 1j0i n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1j0i n ASP 33 N -1.15 0.47 -4.36 -2.24 2.03 -0.07 -4.88 116.55 106.34 1j0i n ASP 33 Ca -0.18 0.22 -0.32 0.00 0.52 0.00 0.00 54.79 55.02 1j0i n ASP 33 Cb 0.60 0.52 -0.15 0.00 -0.72 0.00 0.00 41.12 41.37 1j0i n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1j0i s ILE 34 N -2.67 2.76 -0.05 5.18 -1.09 -1.26 -4.68 121.20 119.40 1j0i s ILE 34 Ca -0.07 -0.79 -0.17 0.00 -2.23 0.00 0.00 60.65 57.39 1j0i s ILE 34 Cb 0.08 -2.10 -0.31 0.00 -1.58 0.00 0.00 42.46 38.54 1j0i s ILE 34 CO 0.83 0.55 0.79 0.44 -1.23 0.00 0.00 174.94 176.32 1j0i h ASP 35 N 6.21 0.55 -5.10 3.58 3.32 -0.24 -3.48 116.42 121.25 1j0i h ASP 35 Ca -0.32 -0.92 -0.08 0.00 0.02 0.00 0.00 57.03 55.74 1j0i h ASP 35 Cb 1.19 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 1j0i h ASP 35 CO 0.52 1.58 -0.23 0.00 -1.72 0.00 0.00 179.24 179.39 1j0i s ARG 36 N -2.50 0.91 -0.03 3.56 1.70 -1.10 -5.03 118.95 116.46 1j0i s ARG 36 Ca -0.15 -0.74 0.01 0.00 -0.47 0.00 0.00 55.73 54.39 1j0i s ARG 36 Cb 0.03 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.82 1j0i s ARG 36 CO 0.84 -0.32 -0.04 0.08 -1.08 0.00 0.00 175.30 174.78 1j0i s VAL 37 N -3.45 0.44 -0.07 4.99 1.01 -1.26 -1.43 120.40 120.63 1j0i s VAL 37 Ca 0.01 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1j0i s VAL 37 Cb 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1j0i s VAL 37 CO -0.09 0.18 -0.14 -1.61 0.00 0.00 0.00 175.10 173.44 1j0i s GLU 38 N 0.64 2.68 -0.23 2.72 2.02 -0.25 0.01 118.70 126.29 1j0i s GLU 38 Ca -0.08 -0.69 -0.20 0.00 0.02 0.00 0.00 54.97 54.03 1j0i s GLU 38 Cb -0.11 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 1j0i s GLU 38 CO -0.00 0.55 0.59 -1.17 0.02 0.00 0.00 175.26 175.24 1j0i s LEU 39 N -0.53 4.10 -0.26 1.80 2.96 0.34 -0.74 118.68 126.36 1j0i s LEU 39 Ca 0.07 0.71 -0.13 0.00 -0.22 0.00 0.00 54.13 54.56 1j0i s LEU 39 Cb -0.12 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1j0i s LEU 39 CO 0.02 -0.29 0.28 -0.22 -1.32 0.00 0.00 176.35 174.82 1j0i s LEU 40 N 2.10 4.07 0.05 -0.68 2.96 0.16 -1.32 118.68 126.02 1j0i s LEU 40 Ca 0.26 0.20 -0.13 0.00 -0.22 0.00 0.00 54.13 54.23 1j0i s LEU 40 Cb -0.16 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.27 1j0i s LEU 40 CO 0.09 -0.07 0.30 -1.38 -1.32 0.00 0.00 176.35 173.97 1j0i s HIS 41 N 1.64 -0.09 0.07 5.38 -3.43 -0.64 -0.62 115.29 117.60 1j0i s HIS 41 Ca 0.12 -0.06 -0.21 0.00 -0.80 0.00 0.00 55.06 54.11 1j0i s HIS 41 Cb -0.15 0.09 0.07 0.00 -1.43 0.00 0.00 32.58 31.16 1j0i s HIS 41 CO 0.09 -0.51 0.97 0.41 -2.00 0.00 0.00 174.74 173.70 1j0i n GLY 42 N 0.54 0.50 3.78 -1.38 0.00 -0.65 -1.00 105.19 106.98 1j0i n GLY 42 Ca -0.18 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 1j0i n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j0i s ASP 43 N -3.22 7.37 0.57 1.61 2.15 -1.26 -0.94 116.67 122.96 1j0i s ASP 43 Ca 0.22 1.63 0.27 0.00 0.43 0.00 0.00 52.55 55.10 1j0i s ASP 43 Cb -0.02 -2.49 1.58 0.00 -0.30 0.00 0.00 42.92 41.70 1j0i s ASP 43 CO 0.02 0.21 2.10 -0.65 -0.17 0.00 0.00 175.17 176.68 1j0i h PRO 44 N 4.36 0.00 -0.40 4.34 0.11 -1.86 -2.15 132.00 136.40 1j0i h PRO 44 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1j0i h PRO 44 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1j0i h PRO 44 CO 0.66 0.00 0.02 0.66 -0.21 0.00 0.00 178.00 179.13 1j0i n TYR 45 N -3.97 1.41 0.03 0.65 4.02 -1.26 -4.62 117.16 113.42 1j0i n TYR 45 Ca 0.02 -0.90 0.21 0.00 -0.01 0.00 0.00 57.90 57.22 1j0i n TYR 45 Cb 0.33 -0.41 0.73 0.00 -0.02 0.00 0.00 39.34 39.96 1j0i n TYR 45 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1j0i h ASP 46 N 2.46 0.00 -0.89 7.72 3.45 -1.66 -1.24 116.42 126.26 1j0i h ASP 46 Ca 0.03 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.55 1j0i h ASP 46 Cb 1.69 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 40.40 1j0i h ASP 46 CO 0.35 0.00 0.58 4.11 -1.57 0.00 0.00 179.24 182.71 1j0i h TRP 47 N 0.00 1.03 -0.95 4.55 0.09 -1.82 0.35 115.95 119.20 1j0i h TRP 47 Ca 0.24 0.03 0.13 0.00 0.09 0.00 0.00 58.89 59.37 1j0i h TRP 47 Cb 1.08 -0.34 -0.09 0.00 0.08 0.00 0.00 29.16 29.89 1j0i h TRP 47 CO 0.00 0.55 0.57 0.37 0.09 0.00 0.00 178.44 180.02 1j0i h GLN 48 N 1.02 0.85 -0.54 0.12 4.15 -1.60 0.66 115.11 119.78 1j0i h GLN 48 Ca 0.38 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.74 1j0i h GLN 48 Cb 0.17 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1j0i h GLN 48 CO -0.13 0.56 0.00 0.09 -1.93 0.00 0.00 178.83 177.42 1j0i n ASN 49 N -4.70 2.92 -1.63 -0.69 5.03 -0.69 -4.92 115.26 110.58 1j0i n ASN 49 Ca 0.18 -2.10 -0.11 0.00 0.87 0.00 0.00 54.58 53.42 1j0i n ASN 49 Cb 0.38 -0.38 0.02 0.00 -1.02 0.00 0.00 39.78 38.77 1j0i n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j0i n GLY 50 N 1.15 0.06 2.72 7.41 0.00 0.23 -4.98 105.19 111.78 1j0i n GLY 50 Ca 0.17 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1j0i n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0i n ALA 51 N -2.61 4.69 0.18 4.61 0.00 0.11 -4.84 120.51 122.66 1j0i n ALA 51 Ca -0.06 -4.79 0.06 0.00 0.00 0.00 0.00 53.44 48.65 1j0i n ALA 51 Cb 0.56 -1.62 0.30 0.00 0.00 0.00 0.00 19.45 18.69 1j0i n ALA 51 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1j0i h TRP 52 N 4.72 0.00 -3.29 0.00 6.55 -1.91 -3.38 115.95 118.65 1j0i h TRP 52 Ca 0.21 0.00 -0.55 0.00 0.95 0.00 0.00 58.89 59.49 1j0i h TRP 52 Cb 0.62 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.89 1j0i h TRP 52 CO 0.88 0.38 0.52 -1.14 -1.05 0.00 0.00 178.44 178.04 1j0i s GLN 53 N -3.50 4.45 0.70 0.49 0.74 -1.26 -5.02 119.66 116.26 1j0i s GLN 53 Ca 0.01 1.40 -0.14 0.00 0.05 0.00 0.00 55.36 56.67 1j0i s GLN 53 Cb 0.10 -3.52 0.02 0.00 1.10 0.00 0.00 33.01 30.71 1j0i s GLN 53 CO 0.69 -0.26 1.14 -0.06 -0.55 0.00 0.00 175.29 176.25 1j0i s PHE 54 N 1.79 2.40 0.31 1.67 0.08 -1.26 -5.02 117.98 117.95 1j0i s PHE 54 Ca 0.49 1.58 -0.04 0.00 0.12 0.00 0.00 56.93 59.08 1j0i s PHE 54 Cb -0.19 -3.25 -0.05 0.00 -0.57 0.00 0.00 43.02 38.96 1j0i s PHE 54 CO 0.20 -2.01 0.57 -0.65 -0.10 0.00 0.00 175.22 173.23 1j0i s GLN 55 N -4.13 3.60 -0.02 0.44 -0.21 -0.17 -4.90 119.66 114.28 1j0i s GLN 55 Ca 0.69 -0.03 0.05 0.00 0.02 0.00 0.00 55.36 56.09 1j0i s GLN 55 Cb -0.23 -2.63 -0.01 0.00 1.00 0.00 0.00 33.01 31.14 1j0i s GLN 55 CO 0.44 0.17 -0.18 1.41 -2.12 0.00 0.00 175.29 175.02 1j0i s MET 56 N -3.75 1.54 -0.02 2.91 -2.45 -1.26 -1.62 119.30 114.65 1j0i s MET 56 Ca 0.44 -0.64 0.00 0.00 -1.25 0.00 0.00 55.69 54.23 1j0i s MET 56 Cb -0.10 -1.46 0.03 0.00 1.25 0.00 0.00 34.83 34.55 1j0i s MET 56 CO 0.32 0.36 0.01 1.41 1.05 0.00 0.00 175.02 178.17 1j0i s MET 57 N -0.33 0.14 0.35 4.11 1.75 -0.43 -4.96 119.30 119.92 1j0i s MET 57 Ca 0.05 0.13 -0.26 0.00 -1.25 0.00 0.00 55.69 54.35 1j0i s MET 57 Cb -0.08 -0.37 -0.09 0.00 2.84 0.00 0.00 34.83 37.13 1j0i s MET 57 CO -0.00 -0.15 1.03 -1.25 -0.65 0.00 0.00 175.02 174.00 1j0i s PRO 58 N 1.03 4.41 0.24 4.11 0.04 -1.26 0.13 135.00 143.69 1j0i s PRO 58 Ca -0.09 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.44 1j0i s PRO 58 Cb -0.13 -2.78 -0.05 0.00 0.04 0.00 0.00 34.50 31.58 1j0i s PRO 58 CO -0.02 0.08 0.46 -1.64 0.04 0.00 0.00 177.00 175.92 1j0i s MET 59 N -2.10 3.58 -0.10 4.56 -1.94 0.10 -4.82 119.30 118.58 1j0i s MET 59 Ca 0.52 -0.17 -0.03 0.00 -1.71 0.00 0.00 55.69 54.31 1j0i s MET 59 Cb -0.23 -2.75 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 1j0i s MET 59 CO 0.29 0.32 0.01 0.50 -0.01 0.00 0.00 175.02 176.14 1j0i s ARG 60 N -3.37 3.19 -0.30 2.03 3.52 -0.17 -4.59 118.95 119.26 1j0i s ARG 60 Ca 0.41 -0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.32 1j0i s ARG 60 Cb -0.11 -2.87 0.01 0.00 -1.56 0.00 0.00 34.95 30.42 1j0i s ARG 60 CO 0.29 0.61 1.13 0.21 -0.81 0.00 0.00 175.30 176.73 1j0i s LYS 61 N -0.62 4.06 0.00 5.12 2.20 -1.26 -0.02 119.74 129.22 1j0i s LYS 61 Ca 0.10 1.16 0.23 0.00 -0.36 0.00 0.00 55.97 57.11 1j0i s LYS 61 Cb -0.12 -3.76 0.19 0.00 -1.51 0.00 0.00 37.83 32.63 1j0i s LYS 61 CO 0.02 -0.91 1.20 0.25 -0.36 0.00 0.00 175.35 175.55 1j0i n THR 62 N 5.87 0.00 -0.22 3.43 -2.24 0.73 -4.98 114.28 116.86 1j0i n THR 62 Ca 0.13 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1j0i n THR 62 Cb 0.47 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1j0i n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j0i n GLY 63 N 1.43 -2.47 3.31 3.38 0.00 -1.25 -4.94 105.19 104.66 1j0i n GLY 63 Ca 0.08 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1j0i n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j0i s SER 64 N -0.24 -0.42 0.00 1.61 0.01 -1.26 -1.22 113.70 112.19 1j0i s SER 64 Ca 0.00 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1j0i s SER 64 Cb 0.00 0.79 0.00 0.00 0.21 0.00 0.00 66.02 67.02 1j0i s SER 64 CO 0.00 -0.19 0.00 -0.90 0.41 0.00 0.00 173.24 172.56 1j0i n ASP 65 N 2.64 0.76 -0.34 2.44 5.68 -0.53 -4.45 116.55 122.75 1j0i n ASP 65 Ca -0.14 -0.22 0.13 0.00 -0.50 0.00 0.00 54.79 54.06 1j0i n ASP 65 Cb 0.57 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.88 1j0i n ASP 65 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1j0i h GLU 66 N 0.00 0.74 0.00 0.11 4.39 -1.95 -3.34 114.58 114.53 1j0i h GLU 66 Ca 0.00 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1j0i h GLU 66 Cb 0.00 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1j0i h GLU 66 CO 0.00 0.49 -1.43 1.28 -1.16 0.00 0.00 179.01 178.19 1j0i n LEU 67 N -4.69 1.06 -4.58 1.33 4.77 -1.26 -4.95 117.00 108.68 1j0i n LEU 67 Ca 0.22 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.93 1j0i n LEU 67 Cb 0.54 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 1j0i n LEU 67 CO 0.24 0.32 -0.36 -0.36 -1.33 0.00 0.00 177.39 175.91 1j0i s PHE 68 N -2.15 2.47 0.07 -1.77 0.08 -1.25 -0.31 117.98 115.12 1j0i s PHE 68 Ca -0.06 -0.44 0.04 0.00 0.12 0.00 0.00 56.93 56.60 1j0i s PHE 68 Cb 0.02 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 1j0i s PHE 68 CO 0.22 0.55 0.02 -0.51 -0.10 0.00 0.00 175.22 175.41 1j0i s ASP 69 N -3.65 5.15 -0.14 1.36 1.01 -0.06 -1.46 116.67 118.89 1j0i s ASP 69 Ca 0.33 -0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.50 1j0i s ASP 69 Cb -0.00 -1.28 0.01 0.00 1.01 0.00 0.00 42.92 42.66 1j0i s ASP 69 CO 0.18 0.19 -0.20 -0.31 0.21 0.00 0.00 175.17 175.24 1j0i s TYR 70 N -1.29 2.53 0.12 4.23 2.02 -0.35 -2.20 117.35 122.39 1j0i s TYR 70 Ca 0.26 -1.29 0.02 0.00 -0.37 0.00 0.00 57.07 55.68 1j0i s TYR 70 Cb -0.12 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1j0i s TYR 70 CO 0.18 -0.61 0.25 -1.58 -1.57 0.00 0.00 175.55 172.22 1j0i s TRP 71 N 0.92 3.50 -0.02 2.71 0.52 0.72 -0.20 118.94 127.10 1j0i s TRP 71 Ca -0.05 0.17 -0.05 0.00 0.02 0.00 0.00 56.10 56.19 1j0i s TRP 71 Cb -0.15 -1.70 0.00 0.00 -1.15 0.00 0.00 33.47 30.47 1j0i s TRP 71 CO -0.03 0.54 0.11 0.12 0.02 0.00 0.00 176.95 177.71 1j0i s PHE 72 N -1.65 -0.03 -0.20 -1.98 5.36 0.96 -2.22 117.98 118.23 1j0i s PHE 72 Ca 0.35 0.07 -0.17 0.00 -0.96 0.00 0.00 56.93 56.21 1j0i s PHE 72 Cb -0.12 -0.01 0.05 0.00 -0.34 0.00 0.00 43.02 42.60 1j0i s PHE 72 CO 0.28 -0.16 0.52 0.00 -1.46 0.00 0.00 175.22 174.41 1j0i s ALA 73 N -0.62 -1.29 -0.06 11.12 0.00 -0.85 -1.00 121.76 129.06 1j0i s ALA 73 Ca -0.07 1.51 0.02 0.00 0.00 0.00 0.00 51.96 53.42 1j0i s ALA 73 Cb -0.04 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 1j0i s ALA 73 CO 0.01 -0.25 -0.10 -1.83 0.00 0.00 0.00 175.76 173.59 1j0i s GLU 74 N 0.39 2.66 -0.01 0.00 -1.05 -1.26 -1.01 118.70 118.43 1j0i s GLU 74 Ca -0.01 -0.60 0.02 0.00 -0.15 0.00 0.00 54.97 54.23 1j0i s GLU 74 Cb -0.04 -2.51 -0.01 0.00 -0.44 0.00 0.00 34.13 31.13 1j0i s GLU 74 CO -0.01 0.65 -0.07 0.08 0.95 0.00 0.00 175.26 176.86 1j0i s VAL 75 N -0.78 0.59 -0.72 1.83 1.01 0.14 -4.93 120.40 117.53 1j0i s VAL 75 Ca 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1j0i s VAL 75 Cb -0.11 -0.50 0.18 0.00 0.00 0.00 0.00 36.38 35.95 1j0i s VAL 75 CO 0.01 0.17 0.56 -0.54 0.00 0.00 0.00 175.10 175.30 1j0i s LYS 76 N -0.15 2.79 0.11 2.72 1.02 -1.26 0.03 119.74 125.00 1j0i s LYS 76 Ca 0.03 -2.87 -0.35 0.00 0.02 0.00 0.00 55.97 52.80 1j0i s LYS 76 Cb -0.03 -3.78 -0.15 0.00 -0.52 0.00 0.00 37.83 33.35 1j0i s LYS 76 CO -0.00 -1.21 1.51 -2.30 -0.92 0.00 0.00 175.35 172.42 1j0i n PRO 77 N 2.94 1.75 -0.28 -1.68 -0.02 -1.26 -4.87 135.00 131.59 1j0i n PRO 77 Ca 0.13 0.63 0.07 0.00 -2.02 0.00 0.00 63.50 62.32 1j0i n PRO 77 Cb 0.37 -2.36 0.29 0.00 -0.02 0.00 0.00 33.50 31.79 1j0i n PRO 77 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1j0i h PRO 78 N 5.61 0.87 -0.02 0.52 0.13 -1.96 -2.84 132.00 134.30 1j0i h PRO 78 Ca -0.46 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1j0i h PRO 78 Cb 1.29 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1j0i h PRO 78 CO 0.85 0.57 -0.19 0.66 -0.23 0.00 0.00 178.00 179.66 1j0i n TYR 79 N -4.53 0.05 -1.32 1.56 4.02 -1.26 -4.98 117.16 110.71 1j0i n TYR 79 Ca 0.15 -1.20 -0.11 0.00 -0.01 0.00 0.00 57.90 56.73 1j0i n TYR 79 Cb 0.30 -0.20 -0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1j0i n TYR 79 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1j0i n ARG 80 N -1.29 -1.30 -4.96 -0.72 1.74 -1.07 -4.93 116.66 104.12 1j0i n ARG 80 Ca 0.18 0.85 -0.27 0.00 -0.77 0.00 0.00 57.85 57.85 1j0i n ARG 80 Cb 0.68 -5.05 -0.15 0.00 -1.02 0.00 0.00 32.46 26.91 1j0i n ARG 80 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1j0i s ARG 81 N -2.80 1.62 -0.11 5.56 0.52 -1.26 -1.60 118.95 120.88 1j0i s ARG 81 Ca 0.00 -0.74 -0.08 0.00 -0.52 0.00 0.00 55.73 54.39 1j0i s ARG 81 Cb 0.00 -1.58 0.03 0.00 0.52 0.00 0.00 34.95 33.92 1j0i s ARG 81 CO 0.00 0.43 0.27 -1.17 0.02 0.00 0.00 175.30 174.85 1j0i s LEU 82 N -0.52 0.78 -0.08 2.53 2.96 -0.74 -4.39 118.68 119.22 1j0i s LEU 82 Ca 0.08 0.56 0.04 0.00 -0.22 0.00 0.00 54.13 54.58 1j0i s LEU 82 Cb -0.08 0.90 0.00 0.00 0.50 0.00 0.00 46.19 47.52 1j0i s LEU 82 CO -0.01 -0.12 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.58 1j0i s ARG 83 N 0.47 2.45 0.21 1.98 1.81 -0.11 -0.59 118.95 125.17 1j0i s ARG 83 Ca -0.03 -0.71 -0.10 0.00 -1.72 0.00 0.00 55.73 53.18 1j0i s ARG 83 Cb -0.04 -1.93 -0.01 0.00 -0.45 0.00 0.00 34.95 32.52 1j0i s ARG 83 CO -0.02 0.16 0.36 1.52 -0.68 0.00 0.00 175.30 176.63 1j0i s TYR 84 N 0.36 0.49 0.32 -0.53 1.13 -0.52 -1.63 117.35 116.97 1j0i s TYR 84 Ca -0.15 -0.83 -0.10 0.00 -1.41 0.00 0.00 57.07 54.58 1j0i s TYR 84 Cb -0.16 -0.01 0.01 0.00 -1.10 0.00 0.00 41.96 40.70 1j0i s TYR 84 CO 0.06 -0.84 0.57 0.20 -2.51 0.00 0.00 175.55 173.03 1j0i s GLY 85 N -3.02 0.81 -0.03 5.49 0.00 0.21 -1.38 107.32 109.40 1j0i s GLY 85 Ca 0.23 -1.05 0.05 0.00 0.00 0.00 0.00 44.72 43.95 1j0i s GLY 85 CO 0.06 -0.66 -0.18 -1.36 0.00 0.00 0.00 173.10 170.97 1j0i s PHE 86 N -3.25 1.68 -0.26 1.90 0.08 -0.43 -0.67 117.98 117.03 1j0i s PHE 86 Ca 0.23 -0.42 -0.06 0.00 0.12 0.00 0.00 56.93 56.80 1j0i s PHE 86 Cb -0.02 -1.12 -0.00 0.00 -0.57 0.00 0.00 43.02 41.31 1j0i s PHE 86 CO 0.14 -0.11 0.04 0.08 -0.10 0.00 0.00 175.22 175.26 1j0i s VAL 87 N -0.13 3.84 -0.19 -0.44 1.01 0.08 0.30 120.40 124.87 1j0i s VAL 87 Ca 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1j0i s VAL 87 Cb -0.10 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1j0i s VAL 87 CO 0.01 0.23 0.02 -0.76 0.00 0.00 0.00 175.10 174.59 1j0i s LEU 88 N 1.51 3.43 -0.29 3.92 1.02 0.60 -1.09 118.68 127.79 1j0i s LEU 88 Ca 0.04 -0.10 -0.08 0.00 0.02 0.00 0.00 54.13 54.00 1j0i s LEU 88 Cb -0.16 -1.86 -0.01 0.00 0.02 0.00 0.00 46.19 44.17 1j0i s LEU 88 CO 0.01 0.11 0.11 -0.31 0.02 0.00 0.00 176.35 176.29 1j0i s TYR 89 N 0.73 3.14 -0.22 0.29 1.51 -0.52 -2.14 117.35 120.14 1j0i s TYR 89 Ca 0.01 -0.60 0.14 0.00 -1.01 0.00 0.00 57.07 55.60 1j0i s TYR 89 Cb -0.14 -2.29 0.51 0.00 -0.11 0.00 0.00 41.96 39.93 1j0i s TYR 89 CO 0.02 -0.45 1.44 0.45 -1.11 0.00 0.00 175.55 175.90 1j0i n SER 90 N 4.94 3.30 0.00 2.29 2.88 -1.15 0.54 113.62 126.42 1j0i n SER 90 Ca -0.15 -3.31 0.00 0.00 -1.33 0.00 0.00 58.87 54.08 1j0i n SER 90 Cb 0.50 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1j0i n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j0i n GLY 91 N -0.80 1.53 0.09 0.46 0.00 -1.26 -4.51 105.19 100.71 1j0i n GLY 91 Ca 0.26 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 1j0i n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j0i n GLU 92 N 0.00 0.66 -2.06 1.61 4.71 -1.26 -4.90 120.64 119.39 1j0i n GLU 92 Ca 0.00 0.18 -0.36 0.00 -0.01 0.00 0.00 57.16 56.97 1j0i n GLU 92 Cb 0.00 -1.69 0.02 0.00 -1.01 0.00 0.00 31.44 28.77 1j0i n GLU 92 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1j0i s GLU 93 N -2.56 3.19 -0.21 3.49 2.02 -1.26 -5.03 118.70 118.35 1j0i s GLU 93 Ca -0.08 1.85 -0.06 0.00 0.02 0.00 0.00 54.97 56.70 1j0i s GLU 93 Cb 0.07 -2.07 0.10 0.00 0.10 0.00 0.00 34.13 32.33 1j0i s GLU 93 CO 0.82 -1.03 0.41 0.21 0.02 0.00 0.00 175.26 175.69 1j0i s LYS 94 N -3.14 0.33 0.05 1.61 2.20 -1.26 -2.91 119.74 116.62 1j0i s LYS 94 Ca 0.73 0.93 0.08 0.00 -0.36 0.00 0.00 55.97 57.35 1j0i s LYS 94 Cb -0.31 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.15 1j0i s LYS 94 CO 0.35 -0.34 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.27 1j0i s LEU 95 N 2.60 2.18 -0.34 5.43 1.43 -0.91 -4.58 118.68 124.50 1j0i s LEU 95 Ca 0.02 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 1j0i s LEU 95 Cb -0.13 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1j0i s LEU 95 CO -0.13 0.17 0.16 -0.69 0.23 0.00 0.00 176.35 176.09 1j0i s VAL 96 N -0.84 4.49 -0.25 -1.59 1.01 0.42 -0.29 120.40 123.35 1j0i s VAL 96 Ca 0.08 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 1j0i s VAL 96 Cb -0.09 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1j0i s VAL 96 CO 0.02 -0.06 0.43 -0.47 0.00 0.00 0.00 175.10 175.02 1j0i s TYR 97 N 1.57 3.28 0.30 5.22 5.04 0.15 -1.38 117.35 131.53 1j0i s TYR 97 Ca 0.03 0.54 0.03 0.00 -2.44 0.00 0.00 57.07 55.23 1j0i s TYR 97 Cb -0.18 -2.61 -0.04 0.00 0.35 0.00 0.00 41.96 39.48 1j0i s TYR 97 CO 0.06 -0.20 0.17 0.95 -1.34 0.00 0.00 175.55 175.19 1j0i s THR 98 N 1.98 0.28 0.35 4.34 -4.23 -0.20 -1.31 115.64 116.84 1j0i s THR 98 Ca 0.18 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1j0i s THR 98 Cb -0.15 -2.51 0.22 0.00 1.34 0.00 0.00 72.50 71.39 1j0i s THR 98 CO 0.09 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 176.04 1j0i h GLU 99 N 2.22 0.68 0.00 3.99 4.81 -1.34 -1.48 114.58 123.46 1j0i h GLU 99 Ca -0.33 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1j0i h GLU 99 Cb 1.25 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1j0i h GLU 99 CO 0.51 0.54 0.00 1.63 -0.73 0.00 0.00 179.01 180.96 1j0i n LYS 100 N -4.37 0.27 0.00 1.92 4.01 -0.77 -5.03 118.16 114.18 1j0i n LYS 100 Ca 0.04 0.25 0.00 0.00 -0.51 0.00 0.00 58.31 58.09 1j0i n LYS 100 Cb 0.13 -1.83 0.00 0.00 -0.51 0.00 0.00 35.03 32.82 1j0i n LYS 100 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j0i n GLY 101 N 1.12 0.78 3.89 0.72 0.00 -0.56 -5.08 105.19 106.05 1j0i n GLY 101 Ca 0.05 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 1j0i n GLY 101 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j0i s PHE 102 N -1.60 3.54 0.12 1.61 0.40 -1.26 -1.03 117.98 119.76 1j0i s PHE 102 Ca 0.00 0.56 -0.03 0.00 -0.60 0.00 0.00 56.93 56.86 1j0i s PHE 102 Cb 0.00 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 1j0i s PHE 102 CO 0.00 0.54 0.10 0.71 0.70 0.00 0.00 175.22 177.27 1j0i s TYR 103 N -1.46 0.66 -0.76 0.36 1.51 -0.48 -4.93 117.35 112.25 1j0i s TYR 103 Ca 0.34 -1.06 0.25 0.00 -1.01 0.00 0.00 57.07 55.59 1j0i s TYR 103 Cb -0.13 -0.34 0.51 0.00 -0.11 0.00 0.00 41.96 41.89 1j0i s TYR 103 CO 0.21 -0.55 1.45 1.19 -1.11 0.00 0.00 175.55 176.73 1j0i n PHE 104 N -0.09 0.43 -3.45 2.71 3.72 -1.26 -0.44 117.46 119.08 1j0i n PHE 104 Ca -0.08 0.13 -0.14 0.00 -0.05 0.00 0.00 57.45 57.31 1j0i n PHE 104 Cb 0.63 -0.59 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 1j0i n PHE 104 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1j0i s GLU 105 N -3.11 1.19 0.16 -1.08 -1.05 -1.26 -4.76 118.70 108.79 1j0i s GLU 105 Ca 0.08 -0.24 -0.32 0.00 -0.15 0.00 0.00 54.97 54.34 1j0i s GLU 105 Cb 0.15 0.55 -0.10 0.00 -0.44 0.00 0.00 34.13 34.28 1j0i s GLU 105 CO 0.69 -0.48 1.65 0.14 0.95 0.00 0.00 175.26 178.20 1j0i s VAL 106 N -2.95 2.50 0.14 1.83 -7.23 -1.26 -4.86 120.40 108.56 1j0i s VAL 106 Ca -0.02 0.29 -0.34 0.00 -1.81 0.00 0.00 61.98 60.10 1j0i s VAL 106 Cb -0.01 -3.19 -0.17 0.00 0.56 0.00 0.00 36.38 33.58 1j0i s VAL 106 CO -0.06 0.02 1.08 -2.65 -0.31 0.00 0.00 175.10 173.18 1j0i n PRO 107 N 4.37 0.81 0.00 4.82 -0.02 -1.26 -4.88 135.00 138.85 1j0i n PRO 107 Ca 0.15 0.29 0.14 0.00 -2.02 0.00 0.00 63.50 62.06 1j0i n PRO 107 Cb 0.38 -1.74 0.58 0.00 -0.02 0.00 0.00 33.50 32.70 1j0i n PRO 107 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1j0i n THR 108 N 1.38 0.00 -2.96 3.45 -2.24 -1.26 -4.89 114.28 107.76 1j0i n THR 108 Ca 0.16 -0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.75 1j0i n THR 108 Cb 0.21 -0.38 0.05 0.00 -2.10 0.00 0.00 70.33 68.11 1j0i n THR 108 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1j0i s ASP 109 N -2.96 5.17 -0.67 3.42 -4.77 -1.26 -5.03 116.67 110.57 1j0i s ASP 109 Ca 0.15 -0.64 -0.03 0.00 -3.30 0.00 0.00 52.55 48.73 1j0i s ASP 109 Cb 0.19 -0.04 0.19 0.00 -1.09 0.00 0.00 42.92 42.17 1j0i s ASP 109 CO 0.55 -1.24 2.42 -0.67 0.70 0.00 0.00 175.17 176.93 1j0i n ASP 110 N -2.21 7.00 -4.80 2.11 2.03 -1.26 -4.97 116.55 114.45 1j0i n ASP 110 Ca 0.13 -3.48 -0.32 0.00 0.52 0.00 0.00 54.79 51.64 1j0i n ASP 110 Cb 0.61 -1.17 -0.07 0.00 -0.72 0.00 0.00 41.12 39.77 1j0i n ASP 110 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1j0i s THR 111 N -3.44 4.76 -1.06 5.18 2.01 -1.26 -5.03 115.64 116.80 1j0i s THR 111 Ca 0.55 -0.48 -0.23 0.00 0.31 0.00 0.00 61.69 61.85 1j0i s THR 111 Cb 0.39 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 1j0i s THR 111 CO -0.30 0.28 1.78 0.00 -0.69 0.00 0.00 174.62 175.70 1j0i s ALA 112 N -1.27 2.24 -0.09 7.40 0.00 -1.26 -4.71 121.76 124.07 1j0i s ALA 112 Ca 0.25 -2.07 0.21 0.00 0.00 0.00 0.00 51.96 50.35 1j0i s ALA 112 Cb -0.12 -4.59 -0.26 0.00 0.00 0.00 0.00 23.12 18.15 1j0i s ALA 112 CO 0.17 -4.35 0.57 0.66 0.00 0.00 0.00 175.76 172.81 1j0i n TYR 113 N 11.82 0.23 -2.78 0.00 4.02 -1.26 -4.83 117.16 124.36 1j0i n TYR 113 Ca 0.41 0.07 -0.29 0.00 -0.01 0.00 0.00 57.90 58.07 1j0i n TYR 113 Cb 0.48 -0.66 -0.02 0.00 -0.02 0.00 0.00 39.34 39.12 1j0i n TYR 113 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1j0i s TYR 114 N -3.37 3.50 0.77 -0.72 1.51 -1.26 -1.01 117.35 116.77 1j0i s TYR 114 Ca -0.07 0.96 -0.11 0.00 -1.01 0.00 0.00 57.07 56.85 1j0i s TYR 114 Cb 0.12 -2.39 0.06 0.00 -0.11 0.00 0.00 41.96 39.64 1j0i s TYR 114 CO 0.88 -0.17 1.10 -0.06 -1.11 0.00 0.00 175.55 176.19 1j0i s PHE 115 N -2.50 2.50 -0.05 2.71 0.08 -0.48 -4.66 117.98 115.58 1j0i s PHE 115 Ca 0.50 1.58 -0.05 0.00 0.12 0.00 0.00 56.93 59.08 1j0i s PHE 115 Cb -0.10 -3.09 0.01 0.00 -0.57 0.00 0.00 43.02 39.26 1j0i s PHE 115 CO 0.36 -1.88 0.13 0.00 -0.10 0.00 0.00 175.22 173.73 1j0i s PHE 117 N -0.01 3.37 0.07 0.00 5.36 0.24 -4.90 117.98 122.11 1j0i s PHE 117 Ca -0.01 -3.02 -0.13 0.00 -0.96 0.00 0.00 56.93 52.81 1j0i s PHE 117 Cb -0.01 -2.93 -0.03 0.00 -0.34 0.00 0.00 43.02 39.71 1j0i s PHE 117 CO 0.00 -0.81 1.08 -2.30 -1.46 0.00 0.00 175.22 171.73 1j0i n PRO 118 N 3.49 -0.18 -3.61 10.12 -0.02 -1.26 -1.78 135.00 141.75 1j0i n PRO 118 Ca 0.05 1.07 -0.16 0.00 -2.02 0.00 0.00 63.50 62.44 1j0i n PRO 118 Cb 0.36 -1.58 -0.07 0.00 -0.02 0.00 0.00 33.50 32.19 1j0i n PRO 118 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1j0i s PHE 119 N -4.18 -0.47 -0.52 6.00 5.36 -1.25 -4.34 117.98 118.58 1j0i s PHE 119 Ca -0.05 0.76 -0.17 0.00 -0.96 0.00 0.00 56.93 56.50 1j0i s PHE 119 Cb 0.05 0.29 0.09 0.00 -0.34 0.00 0.00 43.02 43.11 1j0i s PHE 119 CO 0.26 -0.54 0.54 -1.17 -1.46 0.00 0.00 175.22 172.85 1j0i s LEU 120 N -1.33 5.51 -0.19 6.12 0.20 -0.63 -5.01 118.68 123.35 1j0i s LEU 120 Ca -0.11 -1.32 -0.07 0.00 0.69 0.00 0.00 54.13 53.31 1j0i s LEU 120 Cb -0.02 -2.28 -0.04 0.00 -0.43 0.00 0.00 46.19 43.42 1j0i s LEU 120 CO 0.07 -0.85 0.07 -1.00 -0.29 0.00 0.00 176.35 174.34 1j0i s HIS 121 N 2.11 3.24 0.31 5.38 3.76 -1.26 -4.98 115.29 123.84 1j0i s HIS 121 Ca 0.08 0.04 -0.00 0.00 -0.15 0.00 0.00 55.06 55.03 1j0i s HIS 121 Cb -0.24 -2.10 0.48 0.00 1.11 0.00 0.00 32.58 31.83 1j0i s HIS 121 CO 0.07 0.11 1.92 -0.09 -0.85 0.00 0.00 174.74 175.90 1j0i h ARG 122 N 6.84 0.89 -0.09 1.40 2.43 -1.96 -2.50 114.38 121.39 1j0i h ARG 122 Ca -0.37 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 1j0i h ARG 122 Cb 1.17 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1j0i h ARG 122 CO 0.69 0.68 -0.06 -0.24 -1.51 0.00 0.00 179.97 179.54 1j0i h VAL 123 N 0.90 1.10 0.00 0.20 3.04 -2.01 -2.50 116.25 116.97 1j0i h VAL 123 Ca 0.22 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1j0i h VAL 123 Cb 0.07 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1j0i h VAL 123 CO -0.03 0.13 -0.36 0.47 -1.01 0.00 0.00 177.57 176.77 1j0i n ASP 124 N -4.40 0.70 -4.68 3.17 8.00 -0.96 -4.92 116.55 113.47 1j0i n ASP 124 Ca -0.01 0.29 -0.45 0.00 0.71 0.00 0.00 54.79 55.33 1j0i n ASP 124 Cb 0.18 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 1j0i n ASP 124 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1j0i n LEU 125 N -2.11 3.28 -4.70 0.64 7.94 -0.94 -4.81 117.00 116.30 1j0i n LEU 125 Ca 0.04 1.12 -0.42 0.00 -1.11 0.00 0.00 56.01 55.64 1j0i n LEU 125 Cb 0.43 -1.45 -0.03 0.00 0.53 0.00 0.00 43.42 42.90 1j0i n LEU 125 CO 0.34 -0.33 0.91 0.12 -1.11 0.00 0.00 177.39 177.32 1j0i s PHE 126 N 0.28 3.30 -0.21 1.96 2.19 -1.26 -4.90 117.98 119.34 1j0i s PHE 126 Ca 0.71 1.27 -0.04 0.00 0.33 0.00 0.00 56.93 59.20 1j0i s PHE 126 Cb -0.64 -3.40 0.11 0.00 -1.31 0.00 0.00 43.02 37.78 1j0i s PHE 126 CO 0.45 -1.23 0.32 -2.00 1.83 0.00 0.00 175.22 174.59 1j0i s GLU 127 N 1.77 0.27 0.21 10.12 2.12 -1.26 -4.99 118.70 126.93 1j0i s GLU 127 Ca 0.57 0.51 -0.00 0.00 0.36 0.00 0.00 54.97 56.41 1j0i s GLU 127 Cb -0.26 -0.56 -0.04 0.00 0.26 0.00 0.00 34.13 33.53 1j0i s GLU 127 CO 0.25 -0.56 0.39 0.00 -0.54 0.00 0.00 175.26 174.80 1j0i s ALA 128 N 2.47 3.83 0.02 6.30 0.00 -1.26 -4.99 121.76 128.13 1j0i s ALA 128 Ca 0.08 -0.86 -0.35 0.00 0.00 0.00 0.00 51.96 50.84 1j0i s ALA 128 Cb -0.15 -1.98 -0.14 0.00 0.00 0.00 0.00 23.12 20.85 1j0i s ALA 128 CO -0.13 0.40 1.66 -2.30 0.00 0.00 0.00 175.76 175.39 1j0i n PRO 129 N -0.75 1.93 0.16 0.00 -0.02 -1.26 -4.84 135.00 130.22 1j0i n PRO 129 Ca -0.05 0.70 0.17 0.00 -2.02 0.00 0.00 63.50 62.30 1j0i n PRO 129 Cb 0.54 -2.47 0.77 0.00 -0.02 0.00 0.00 33.50 32.32 1j0i n PRO 129 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1j0i h ASP 130 N 6.98 0.00 0.43 2.55 1.82 -1.95 -2.82 116.42 123.43 1j0i h ASP 130 Ca -0.47 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.09 1j0i h ASP 130 Cb 1.28 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.28 1j0i h ASP 130 CO 0.90 0.00 -0.38 4.11 -1.61 0.00 0.00 179.24 182.26 1j0i h TRP 131 N 0.00 0.00 -0.06 0.28 5.08 -1.96 -3.00 115.95 116.30 1j0i h TRP 131 Ca 0.12 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.11 1j0i h TRP 131 Cb 0.58 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.73 1j0i h TRP 131 CO 0.00 0.38 0.04 -0.39 -1.28 0.00 0.00 178.44 177.19 1j0i h VAL 132 N 0.00 0.88 0.00 0.12 -1.51 -1.88 -1.21 116.25 112.65 1j0i h VAL 132 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1j0i h VAL 132 Cb 0.70 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1j0i h VAL 132 CO 0.05 0.00 0.00 0.11 -1.23 0.00 0.00 177.57 176.50 1j0i h LYS 133 N 0.00 0.00 -0.17 5.19 1.57 -1.72 -1.00 116.57 120.44 1j0i h LYS 133 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1j0i h LYS 133 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1j0i h LYS 133 CO -0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1j0i n ASP 134 N -2.85 2.51 -4.84 0.86 8.00 -0.47 -4.72 116.55 115.04 1j0i n ASP 134 Ca -0.02 -2.08 -0.37 0.00 0.71 0.00 0.00 54.79 53.03 1j0i n ASP 134 Cb 0.11 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 1j0i n ASP 134 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j0i s THR 135 N -1.14 5.26 -0.27 -3.53 2.01 -0.38 -4.98 115.64 112.61 1j0i s THR 135 Ca 0.13 0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.68 1j0i s THR 135 Cb 0.08 -3.57 0.05 0.00 0.01 0.00 0.00 72.50 69.07 1j0i s THR 135 CO 0.08 0.57 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.82 1j0i s VAL 136 N -0.83 2.53 0.56 3.82 1.01 -1.26 -3.94 120.40 122.29 1j0i s VAL 136 Ca 0.19 -1.50 -0.07 0.00 0.00 0.00 0.00 61.98 60.60 1j0i s VAL 136 Cb -0.14 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1j0i s VAL 136 CO 0.08 -0.04 0.90 0.26 0.00 0.00 0.00 175.10 176.30 1j0i s TRP 137 N 1.17 3.50 -0.14 5.22 0.52 0.24 -2.33 118.94 127.12 1j0i s TRP 137 Ca -0.07 0.92 -0.02 0.00 0.02 0.00 0.00 56.10 56.96 1j0i s TRP 137 Cb -0.20 -2.57 0.04 0.00 -1.15 0.00 0.00 33.47 29.60 1j0i s TRP 137 CO -0.03 -0.58 -0.00 -0.47 0.02 0.00 0.00 176.95 175.89 1j0i s TYR 138 N -2.96 1.10 -0.04 -1.98 6.14 0.44 -0.95 117.35 119.10 1j0i s TYR 138 Ca 0.52 -0.69 -0.23 0.00 0.64 0.00 0.00 57.07 57.30 1j0i s TYR 138 Cb -0.11 -1.04 -0.04 0.00 0.42 0.00 0.00 41.96 41.20 1j0i s TYR 138 CO 0.48 -0.52 0.71 -1.14 0.64 0.00 0.00 175.55 175.72 1j0i s GLN 139 N 1.83 4.44 -0.11 4.97 0.74 0.12 -1.19 119.66 130.46 1j0i s GLN 139 Ca 0.02 0.90 0.03 0.00 0.05 0.00 0.00 55.36 56.36 1j0i s GLN 139 Cb -0.15 -3.43 0.01 0.00 1.10 0.00 0.00 33.01 30.54 1j0i s GLN 139 CO -0.07 0.12 -0.19 0.42 -0.55 0.00 0.00 175.29 175.02 1j0i s ILE 140 N 0.59 1.77 -0.74 -2.34 1.01 0.12 -1.65 121.20 119.96 1j0i s ILE 140 Ca 0.37 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 1j0i s ILE 140 Cb -0.18 -1.57 0.19 0.00 0.01 0.00 0.00 42.46 40.91 1j0i s ILE 140 CO 0.19 0.49 0.68 0.12 0.00 0.00 0.00 174.94 176.42 1j0i s PHE 141 N 0.71 3.62 0.24 3.97 5.36 -1.26 -2.36 117.98 128.27 1j0i s PHE 141 Ca -0.11 -1.87 -0.11 0.00 -0.96 0.00 0.00 56.93 53.87 1j0i s PHE 141 Cb -0.16 -3.77 0.35 0.00 -0.34 0.00 0.00 43.02 39.09 1j0i s PHE 141 CO 0.02 -0.99 1.47 -2.30 -1.46 0.00 0.00 175.22 171.96 1j0i n PRO 142 N 4.25 -0.14 0.28 10.12 -0.02 -1.26 -0.58 135.00 147.65 1j0i n PRO 142 Ca 0.07 1.46 0.12 0.00 -2.02 0.00 0.00 63.50 63.13 1j0i n PRO 142 Cb 0.45 -2.18 0.64 0.00 -0.02 0.00 0.00 33.50 32.39 1j0i n PRO 142 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j0i h GLU 143 N 0.00 0.00 0.00 -0.52 4.22 -1.83 -2.09 114.58 114.37 1j0i h GLU 143 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.84 1j0i h GLU 143 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1j0i h GLU 143 CO -0.96 0.00 -0.05 0.54 -2.18 0.00 0.00 179.01 176.36 1j0i n ARG 144 N -2.60 1.65 -0.09 1.92 5.12 0.25 -2.18 116.66 120.73 1j0i n ARG 144 Ca -0.02 -1.50 -0.16 0.00 -1.93 0.00 0.00 57.85 54.24 1j0i n ARG 144 Cb 0.38 -0.96 -0.09 0.00 -1.16 0.00 0.00 32.46 30.63 1j0i n ARG 144 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1j0i h PHE 145 N 0.00 0.00 -1.75 -1.55 3.57 -1.19 0.86 116.94 116.87 1j0i h PHE 145 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1j0i h PHE 145 Cb 0.82 0.00 -0.23 0.00 2.79 0.00 0.00 35.95 39.33 1j0i h PHE 145 CO 0.01 1.01 0.35 0.00 -2.23 0.00 0.00 178.31 177.46 1j0i s ALA 146 N -2.46 -1.89 -0.82 2.41 0.00 -1.26 -4.17 121.76 113.58 1j0i s ALA 146 Ca -0.23 1.76 -0.14 0.00 0.00 0.00 0.00 51.96 53.34 1j0i s ALA 146 Cb 0.04 -0.99 0.21 0.00 0.00 0.00 0.00 23.12 22.38 1j0i s ALA 146 CO 0.48 -0.30 0.77 1.21 0.00 0.00 0.00 175.76 177.92 1j0i s ASN 147 N -0.26 6.73 0.00 0.00 2.47 -1.26 -1.06 114.94 121.56 1j0i s ASN 147 Ca -0.01 -2.61 0.22 0.00 0.42 0.00 0.00 52.86 50.88 1j0i s ASN 147 Cb -0.03 -2.22 -0.10 0.00 -1.45 0.00 0.00 41.25 37.45 1j0i s ASN 147 CO -0.00 -0.61 1.01 0.61 -3.72 0.00 0.00 177.10 174.38 1j0i n GLY 148 N 4.12 -0.38 2.41 1.21 0.00 -1.26 -4.66 105.19 106.63 1j0i n GLY 148 Ca 0.13 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 1j0i n GLY 148 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j0i n ASN 149 N -0.62 -0.25 -0.26 1.61 2.85 -1.26 -4.75 115.26 112.58 1j0i n ASN 149 Ca 0.07 -2.44 0.17 0.00 -0.11 0.00 0.00 54.58 52.27 1j0i n ASN 149 Cb 0.41 -0.57 0.46 0.00 1.24 0.00 0.00 39.78 41.32 1j0i n ASN 149 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1j0i h PRO 150 N 5.54 0.50 0.00 1.20 0.11 -1.90 -2.64 132.00 134.82 1j0i h PRO 150 Ca 0.25 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 1j0i h PRO 150 Cb 0.90 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1j0i h PRO 150 CO 0.40 0.33 -0.02 0.66 -0.21 0.00 0.00 178.00 179.16 1j0i h SER 151 N 0.51 0.00 -0.02 -2.05 4.64 -1.99 -2.77 113.55 111.88 1j0i h SER 151 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1j0i h SER 151 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1j0i h SER 151 CO -0.21 0.02 -0.27 2.30 -0.87 0.00 0.00 176.83 177.80 1j0i n ILE 152 N -3.23 0.00 -1.70 0.95 -5.35 -0.99 -5.00 119.36 104.03 1j0i n ILE 152 Ca -0.02 -0.37 -0.39 0.00 -0.27 0.00 0.00 62.75 61.70 1j0i n ILE 152 Cb 0.14 1.26 0.03 0.00 -1.74 0.00 0.00 39.64 39.34 1j0i n ILE 152 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1j0i n SER 153 N 0.25 2.26 -4.63 7.28 7.64 -1.05 -4.40 113.62 120.97 1j0i n SER 153 Ca 0.08 0.99 -0.40 0.00 1.01 0.00 0.00 58.87 60.55 1j0i n SER 153 Cb 0.41 -1.51 0.02 0.00 -1.01 0.00 0.00 64.21 62.11 1j0i n SER 153 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1j0i n PRO 154 N -0.66 1.36 -0.28 1.43 -0.02 -1.26 -4.86 135.00 130.70 1j0i n PRO 154 Ca 0.10 0.49 -0.02 0.00 -2.02 0.00 0.00 63.50 62.05 1j0i n PRO 154 Cb 0.43 -2.13 0.01 0.00 -0.02 0.00 0.00 33.50 31.79 1j0i n PRO 154 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1j0i n GLU 155 N -0.13 -0.19 -2.07 -0.52 1.02 -1.26 -1.71 120.64 115.78 1j0i n GLU 155 Ca 0.10 1.09 -0.38 0.00 -0.02 0.00 0.00 57.16 57.96 1j0i n GLU 155 Cb 0.41 -1.62 0.03 0.00 -0.02 0.00 0.00 31.44 30.24 1j0i n GLU 155 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j0i n GLY 156 N -1.31 5.64 3.65 0.62 0.00 -1.26 -5.00 105.19 107.53 1j0i n GLY 156 Ca 0.06 -2.54 -0.43 0.00 0.00 0.00 0.00 46.02 43.11 1j0i n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j0i s SER 157 N -1.57 6.72 0.68 1.61 0.01 -0.69 -4.68 113.70 115.78 1j0i s SER 157 Ca 0.51 1.61 -0.15 0.00 1.31 0.00 0.00 55.95 59.22 1j0i s SER 157 Cb 0.42 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 64.12 1j0i s SER 157 CO -0.36 -0.97 1.15 -0.13 0.41 0.00 0.00 173.24 173.34 1j0i s ARG 158 N 3.98 2.58 0.18 12.44 1.81 -0.68 -4.91 118.95 134.35 1j0i s ARG 158 Ca 0.61 1.56 -0.33 0.00 -1.72 0.00 0.00 55.73 55.85 1j0i s ARG 158 Cb -0.22 -1.91 -0.14 0.00 -0.45 0.00 0.00 34.95 32.23 1j0i s ARG 158 CO 0.22 -1.45 1.42 -2.30 -0.68 0.00 0.00 175.30 172.51 1j0i n PRO 159 N -2.43 1.81 -1.65 3.54 -0.02 -1.26 -4.62 135.00 130.37 1j0i n PRO 159 Ca 0.12 0.65 -0.61 0.00 -2.02 0.00 0.00 63.50 61.63 1j0i n PRO 159 Cb 0.51 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 1j0i n PRO 159 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1j0i n TRP 160 N 2.47 1.46 -1.15 6.00 -0.00 -1.26 -0.99 117.44 123.97 1j0i n TRP 160 Ca 0.15 0.94 -0.09 0.00 -0.00 0.00 0.00 57.50 58.50 1j0i n TRP 160 Cb 0.28 -2.25 -0.04 0.00 -0.00 0.00 0.00 31.31 29.30 1j0i n TRP 160 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j0i n GLY 161 N 3.13 0.87 0.24 5.87 0.00 -1.26 -4.82 105.19 109.22 1j0i n GLY 161 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 1j0i n GLY 161 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j0i h SER 162 N 0.00 0.72 -5.61 1.61 4.64 -1.41 -3.47 113.55 110.02 1j0i h SER 162 Ca -0.19 -0.34 -0.28 0.00 -0.47 0.00 0.00 61.79 60.52 1j0i h SER 162 Cb 0.81 -0.20 -0.13 0.00 -0.31 0.00 0.00 62.40 62.57 1j0i h SER 162 CO 0.28 1.05 -0.48 -1.83 -0.87 0.00 0.00 176.83 174.98 1j0i s GLU 163 N -4.24 1.45 0.24 4.77 -1.05 -1.26 -5.09 118.70 113.52 1j0i s GLU 163 Ca -0.08 -1.69 -0.30 0.00 -0.15 0.00 0.00 54.97 52.75 1j0i s GLU 163 Cb 0.12 0.33 -0.09 0.00 -0.44 0.00 0.00 34.13 34.04 1j0i s GLU 163 CO 0.84 -0.53 1.34 -0.51 0.95 0.00 0.00 175.26 177.36 1j0i s ASP 164 N -3.20 6.81 0.64 0.83 -0.00 -1.26 -4.90 116.67 115.60 1j0i s ASP 164 Ca 0.36 2.52 -0.16 0.00 -0.00 0.00 0.00 52.55 55.27 1j0i s ASP 164 Cb 0.04 -2.62 -0.01 0.00 -0.00 0.00 0.00 42.92 40.33 1j0i s ASP 164 CO 0.16 -0.57 1.14 -2.16 -0.00 0.00 0.00 175.17 173.74 1j0i s PRO 165 N -0.47 2.81 0.32 8.23 0.04 -1.26 -5.05 135.00 139.62 1j0i s PRO 165 Ca 0.56 1.52 0.04 0.00 0.04 0.00 0.00 61.00 63.16 1j0i s PRO 165 Cb -0.38 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 1j0i s PRO 165 CO 0.42 -1.27 0.06 0.95 0.04 0.00 0.00 177.00 177.20 1j0i s THR 166 N -2.13 1.16 0.32 1.26 -4.23 -1.26 -4.61 115.64 106.15 1j0i s THR 166 Ca 0.70 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.53 1j0i s THR 166 Cb -0.23 -2.78 0.32 0.00 1.34 0.00 0.00 72.50 71.14 1j0i s THR 166 CO 0.39 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.79 1j0i h PRO 167 N 2.12 0.00 0.00 3.99 0.11 -1.97 -2.79 132.00 133.47 1j0i h PRO 167 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1j0i h PRO 167 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1j0i h PRO 167 CO 0.69 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.73 1j0i n THR 168 N -2.69 0.00 -1.92 -1.15 -2.24 -1.26 -4.74 114.28 100.29 1j0i n THR 168 Ca -0.02 -0.45 -0.33 0.00 -2.27 0.00 0.00 64.05 60.98 1j0i n THR 168 Cb 0.13 1.06 0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1j0i n THR 168 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1j0i s SER 169 N -0.37 5.41 0.06 3.42 1.04 -1.05 -4.88 113.70 117.33 1j0i s SER 169 Ca 0.00 1.97 0.05 0.00 0.48 0.00 0.00 55.95 58.44 1j0i s SER 169 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1j0i s SER 169 CO 0.00 -1.43 -0.13 -0.36 0.98 0.00 0.00 173.24 172.30 1j0i s PHE 170 N -2.30 1.12 0.00 5.02 0.08 -1.26 -4.74 117.98 115.90 1j0i s PHE 170 Ca 0.67 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.27 1j0i s PHE 170 Cb -0.19 -0.64 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 1j0i s PHE 170 CO 0.38 0.03 0.43 1.19 -0.10 0.00 0.00 175.22 177.15 1j0i n PHE 171 N 1.39 0.00 -2.27 0.36 3.01 -1.26 -1.69 117.46 117.00 1j0i n PHE 171 Ca -0.21 -0.09 -0.08 0.00 1.01 0.00 0.00 57.45 58.08 1j0i n PHE 171 Cb 0.54 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 1j0i n PHE 171 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j0i n GLY 172 N -0.09 0.11 3.78 1.37 0.00 -1.26 -4.68 105.19 104.42 1j0i n GLY 172 Ca 0.00 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1j0i n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j0i s GLY 173 N -2.73 2.35 0.33 -0.02 0.00 -0.93 -4.29 107.32 102.02 1j0i s GLY 173 Ca 0.04 0.60 -0.18 0.00 0.00 0.00 0.00 44.72 45.18 1j0i s GLY 173 CO 0.04 0.95 0.79 0.51 0.00 0.00 0.00 173.10 175.39 1j0i s ASP 174 N -2.29 -0.09 0.20 1.64 1.47 -0.22 -4.37 116.67 113.00 1j0i s ASP 174 Ca 0.68 -0.90 -0.11 0.00 1.18 0.00 0.00 52.55 53.40 1j0i s ASP 174 Cb -0.20 0.77 0.17 0.00 -0.34 0.00 0.00 42.92 43.32 1j0i s ASP 174 CO 0.33 -1.49 1.84 -0.07 0.68 0.00 0.00 175.17 176.45 1j0i h LEU 175 N 2.00 0.67 -1.31 2.11 3.38 -1.66 -1.98 115.31 118.52 1j0i h LEU 175 Ca -0.27 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1j0i h LEU 175 Cb 1.25 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 1j0i h LEU 175 CO 0.34 0.46 0.51 -0.61 0.09 0.00 0.00 178.44 179.24 1j0i h GLN 176 N 0.80 0.80 -0.74 1.13 5.75 -1.91 -0.17 115.11 120.78 1j0i h GLN 176 Ca 0.27 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.74 1j0i h GLN 176 Cb 0.02 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 1j0i h GLN 176 CO -0.11 0.53 0.49 0.78 -2.65 0.00 0.00 178.83 177.87 1j0i h GLY 177 N 0.82 1.03 0.51 2.39 0.00 -1.51 0.33 103.07 106.64 1j0i h GLY 177 Ca 0.34 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1j0i h GLY 177 CO -0.12 0.35 -0.04 -2.22 0.00 0.00 0.00 176.54 174.51 1j0i h ILE 178 N 0.95 1.18 -0.64 2.60 2.04 -0.98 -2.65 117.51 120.03 1j0i h ILE 178 Ca 0.28 -1.06 0.13 0.00 1.00 0.00 0.00 64.86 65.20 1j0i h ILE 178 Cb -0.04 1.86 -0.09 0.00 -0.74 0.00 0.00 36.82 37.80 1j0i h ILE 178 CO -0.07 0.26 0.12 0.40 0.00 0.00 0.00 178.15 178.86 1j0i h ILE 179 N -0.60 0.59 0.00 -0.67 2.04 -0.70 0.17 117.51 118.34 1j0i h ILE 179 Ca -0.01 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1j0i h ILE 179 Cb 0.50 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1j0i h ILE 179 CO 0.02 0.04 -0.07 0.44 0.00 0.00 0.00 178.15 178.58 1j0i h ASP 180 N 0.24 0.00 -0.47 1.72 3.32 -0.30 -2.90 116.42 118.03 1j0i h ASP 180 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1j0i h ASP 180 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1j0i h ASP 180 CO -0.45 0.07 0.00 1.41 -1.72 0.00 0.00 179.24 178.55 1j0i n HIS 181 N -3.97 0.64 -0.26 4.55 8.25 -0.07 -4.62 115.22 119.74 1j0i n HIS 181 Ca -0.03 -0.50 0.10 0.00 -0.26 0.00 0.00 57.72 57.04 1j0i n HIS 181 Cb 0.16 -0.02 0.36 0.00 1.12 0.00 0.00 29.99 31.61 1j0i n HIS 181 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j0i h LEU 182 N 2.77 0.68 -1.36 2.41 3.38 -1.02 -0.13 115.31 122.04 1j0i h LEU 182 Ca 0.00 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1j0i h LEU 182 Cb 0.82 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1j0i h LEU 182 CO 0.00 0.37 0.49 0.44 0.09 0.00 0.00 178.44 179.83 1j0i h ASP 183 N 0.73 0.68 -0.62 -0.43 5.19 -1.83 0.54 116.42 120.67 1j0i h ASP 183 Ca 0.42 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.82 1j0i h ASP 183 Cb 0.61 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 1j0i h ASP 183 CO -0.19 0.43 0.31 0.22 -3.12 0.00 0.00 179.24 176.89 1j0i h TYR 184 N 0.76 0.89 -0.44 4.55 3.20 -1.36 -1.09 116.97 123.49 1j0i h TYR 184 Ca 0.33 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 62.05 1j0i h TYR 184 Cb 0.30 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1j0i h TYR 184 CO -0.00 0.67 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.97 1j0i h LEU 185 N 0.86 0.83 -0.67 2.82 3.38 -1.02 -1.62 115.31 119.89 1j0i h LEU 185 Ca 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1j0i h LEU 185 Cb 0.11 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1j0i h LEU 185 CO -0.03 0.98 0.34 0.58 0.09 0.00 0.00 178.44 180.40 1j0i h VAL 186 N 0.74 1.22 -0.35 1.22 2.07 -0.52 -1.23 116.25 119.40 1j0i h VAL 186 Ca 0.11 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 1j0i h VAL 186 Cb 0.66 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1j0i h VAL 186 CO 0.05 0.25 -0.24 -0.78 0.02 0.00 0.00 177.57 176.87 1j0i h ASP 187 N 0.92 0.70 -0.82 0.57 1.82 -1.02 -2.79 116.42 115.79 1j0i h ASP 187 Ca 0.23 -0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1j0i h ASP 187 Cb 0.09 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 39.87 1j0i h ASP 187 CO -0.03 0.91 0.47 0.25 -1.61 0.00 0.00 179.24 179.24 1j0i h LEU 188 N 0.60 1.01 0.00 2.28 5.85 -0.68 -3.47 115.31 120.90 1j0i h LEU 188 Ca 0.08 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1j0i h LEU 188 Cb 0.72 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1j0i h LEU 188 CO 0.06 0.79 0.00 0.61 -0.34 0.00 0.00 178.44 179.56 1j0i n GLY 189 N -1.22 1.08 3.75 3.75 0.00 -0.52 -4.39 105.19 107.63 1j0i n GLY 189 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1j0i n GLY 189 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j0i n ILE 190 N -0.25 1.28 -0.12 -0.61 2.08 -0.91 -4.88 119.36 115.95 1j0i n ILE 190 Ca 0.00 -0.32 0.00 0.00 0.56 0.00 0.00 62.75 62.99 1j0i n ILE 190 Cb 0.00 -1.95 0.00 0.00 -0.75 0.00 0.00 39.64 36.94 1j0i n ILE 190 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1j0i n THR 191 N 1.67 0.00 -3.74 1.39 -2.24 -0.98 -4.69 114.28 105.68 1j0i n THR 191 Ca 0.07 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 1j0i n THR 191 Cb 0.37 1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 1j0i n THR 191 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j0i s GLY 192 N -0.10 -0.27 -0.12 3.38 0.00 -1.12 -0.28 107.32 108.80 1j0i s GLY 192 Ca 0.00 0.99 0.02 0.00 0.00 0.00 0.00 44.72 45.73 1j0i s GLY 192 CO 0.00 0.83 -0.17 -0.42 0.00 0.00 0.00 173.10 173.34 1j0i s ILE 193 N -0.00 1.64 -0.27 0.90 1.01 0.11 -0.42 121.20 124.17 1j0i s ILE 193 Ca -0.02 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 1j0i s ILE 193 Cb -0.03 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 1j0i s ILE 193 CO 0.01 0.47 0.08 -0.47 0.00 0.00 0.00 174.94 175.03 1j0i s TYR 194 N 0.97 3.11 -0.01 3.97 5.04 -0.33 -0.70 117.35 129.40 1j0i s TYR 194 Ca -0.06 -0.72 -0.01 0.00 -2.44 0.00 0.00 57.07 53.83 1j0i s TYR 194 Cb -0.15 -2.25 -0.04 0.00 0.35 0.00 0.00 41.96 39.87 1j0i s TYR 194 CO -0.02 -0.48 0.12 -0.51 -1.34 0.00 0.00 175.55 173.32 1j0i s LEU 195 N 1.55 4.09 0.87 6.97 1.43 -0.59 0.13 118.68 133.14 1j0i s LEU 195 Ca 0.04 0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 53.25 1j0i s LEU 195 Cb -0.16 -2.41 0.14 0.00 0.03 0.00 0.00 46.19 43.79 1j0i s LEU 195 CO 0.03 0.27 1.22 0.42 0.23 0.00 0.00 176.35 178.52 1j0i s THR 196 N -1.24 2.04 0.00 5.49 -4.23 -0.99 -2.92 115.64 113.79 1j0i s THR 196 Ca 0.24 -0.07 -0.40 0.00 -1.18 0.00 0.00 61.69 60.29 1j0i s THR 196 Cb -0.12 -2.97 -0.20 0.00 1.34 0.00 0.00 72.50 70.55 1j0i s THR 196 CO 0.16 0.00 1.11 -2.65 -0.54 0.00 0.00 174.62 172.70 1j0i n PRO 197 N -3.46 0.15 0.00 3.99 -0.02 -1.26 -4.53 135.00 129.87 1j0i n PRO 197 Ca 0.12 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1j0i n PRO 197 Cb 0.60 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1j0i n PRO 197 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1j0i n ILE 198 N 1.66 0.52 -2.83 4.25 -5.35 -1.26 -4.76 119.36 111.59 1j0i n ILE 198 Ca 0.20 -0.66 -0.30 0.00 -0.27 0.00 0.00 62.75 61.72 1j0i n ILE 198 Cb 0.09 0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 38.77 1j0i n ILE 198 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1j0i s PHE 199 N -0.52 3.48 -0.20 4.28 0.08 -1.26 -0.62 117.98 123.23 1j0i s PHE 199 Ca 0.00 1.01 -0.39 0.00 0.12 0.00 0.00 56.93 57.67 1j0i s PHE 199 Cb 0.00 -2.42 -0.16 0.00 -0.57 0.00 0.00 43.02 39.87 1j0i s PHE 199 CO 0.00 -0.13 1.65 -2.13 -0.10 0.00 0.00 175.22 174.51 1j0i n ARG 200 N -1.42 1.13 -3.62 0.44 0.63 0.36 -4.43 116.66 109.76 1j0i n ARG 200 Ca 0.02 0.41 -0.16 0.00 -0.92 0.00 0.00 57.85 57.21 1j0i n ARG 200 Cb 0.54 -2.08 -0.07 0.00 0.45 0.00 0.00 32.46 31.29 1j0i n ARG 200 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1j0i s SER 201 N 2.84 -0.57 0.28 6.15 0.15 -1.26 -0.22 113.70 121.07 1j0i s SER 201 Ca 0.95 0.79 0.09 0.00 0.70 0.00 0.00 55.95 58.48 1j0i s SER 201 Cb -1.05 0.75 0.39 0.00 -1.71 0.00 0.00 66.02 64.41 1j0i s SER 201 CO 0.62 -0.44 1.64 1.55 1.20 0.00 0.00 173.24 177.81 1j0i h PRO 202 N 3.94 0.06 -7.49 5.44 0.13 -1.93 -3.46 132.00 128.69 1j0i h PRO 202 Ca -0.28 -0.04 -0.45 0.00 -0.87 0.00 0.00 66.00 64.36 1j0i h PRO 202 Cb 1.16 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.43 1j0i h PRO 202 CO 0.29 0.61 0.28 -1.54 -0.23 0.00 0.00 178.00 177.41 1j0i s SER 203 N -6.87 3.13 0.11 1.44 1.04 -1.26 -4.97 113.70 106.31 1j0i s SER 203 Ca -0.02 0.92 0.26 0.00 0.48 0.00 0.00 55.95 57.59 1j0i s SER 203 Cb 0.13 -1.45 0.69 0.00 0.10 0.00 0.00 66.02 65.49 1j0i s SER 203 CO 0.76 -2.78 1.60 -0.46 0.98 0.00 0.00 173.24 173.34 1j0i n ASN 204 N -3.91 0.57 -0.11 7.02 0.23 -1.26 -3.87 115.26 113.93 1j0i n ASN 204 Ca 0.07 0.29 -0.13 0.00 -0.53 0.00 0.00 54.58 54.28 1j0i n ASN 204 Cb 0.59 -0.26 -0.13 0.00 -2.08 0.00 0.00 39.78 37.90 1j0i n ASN 204 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j0i n HIS 205 N -1.95 0.00 -2.51 -2.53 1.44 -1.26 -4.65 115.22 103.76 1j0i n HIS 205 Ca 0.05 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.65 1j0i n HIS 205 Cb 0.40 -0.91 0.01 0.00 0.12 0.00 0.00 29.99 29.61 1j0i n HIS 205 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1j0i n LYS 206 N -2.96 -1.99 0.00 -1.40 5.02 -1.25 -4.35 118.16 111.23 1j0i n LYS 206 Ca -0.36 0.47 0.13 0.00 -2.02 0.00 0.00 58.31 56.52 1j0i n LYS 206 Cb 1.02 -4.42 0.36 0.00 -0.02 0.00 0.00 35.03 31.97 1j0i n LYS 206 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j0i n TYR 207 N -3.91 0.00 -3.61 2.13 4.01 -1.26 -4.27 117.16 110.26 1j0i n TYR 207 Ca -0.07 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.29 1j0i n TYR 207 Cb 0.57 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 39.38 1j0i n TYR 207 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1j0i s ASP 208 N -2.62 6.10 0.25 7.72 -4.77 -1.26 -4.74 116.67 117.35 1j0i s ASP 208 Ca 0.21 -3.64 -0.30 0.00 -3.30 0.00 0.00 52.55 45.53 1j0i s ASP 208 Cb 0.19 -1.94 -0.10 0.00 -1.09 0.00 0.00 42.92 39.98 1j0i s ASP 208 CO 0.56 -0.21 1.43 -0.89 0.70 0.00 0.00 175.17 176.76 1j0i s THR 209 N -1.23 2.68 -0.20 2.11 2.01 -1.26 -4.29 115.64 115.46 1j0i s THR 209 Ca 0.27 0.57 -0.06 0.00 0.31 0.00 0.00 61.69 62.78 1j0i s THR 209 Cb -0.08 -3.37 -0.20 0.00 0.01 0.00 0.00 72.50 68.86 1j0i s THR 209 CO -0.11 0.09 0.03 0.00 -0.69 0.00 0.00 174.62 173.94 1j0i n ALA 210 N 2.33 1.13 -3.64 7.40 0.00 0.70 0.56 120.51 128.99 1j0i n ALA 210 Ca 0.07 -0.84 -0.09 0.00 0.00 0.00 0.00 53.44 52.57 1j0i n ALA 210 Cb 0.40 -0.34 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 1j0i n ALA 210 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j0i s ASP 211 N -6.88 -0.16 0.52 0.00 2.15 -1.14 -3.97 116.67 107.20 1j0i s ASP 211 Ca -0.30 0.90 0.30 0.00 0.43 0.00 0.00 52.55 53.88 1j0i s ASP 211 Cb 0.08 1.26 1.06 0.00 -0.30 0.00 0.00 42.92 45.03 1j0i s ASP 211 CO 0.65 -0.24 1.87 1.88 -0.17 0.00 0.00 175.17 179.16 1j0i h TYR 212 N 8.19 0.00 -0.59 -5.34 -1.99 -1.92 -3.16 116.97 112.16 1j0i h TYR 212 Ca -0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1j0i h TYR 212 Cb 1.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.84 1j0i h TYR 212 CO 0.28 0.01 0.00 1.19 -0.00 0.00 0.00 178.16 179.64 1j0i n PHE 213 N -3.10 1.45 -3.80 4.88 3.01 -1.26 -4.87 117.46 113.77 1j0i n PHE 213 Ca 0.02 -0.56 -0.24 0.00 1.01 0.00 0.00 57.45 57.67 1j0i n PHE 213 Cb 0.37 -0.26 -0.17 0.00 -0.01 0.00 0.00 39.48 39.41 1j0i n PHE 213 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1j0i s GLU 214 N -1.93 0.84 0.49 -1.08 2.12 -1.20 -5.09 118.70 112.85 1j0i s GLU 214 Ca 0.47 -0.05 -0.23 0.00 0.36 0.00 0.00 54.97 55.53 1j0i s GLU 214 Cb 0.31 -1.26 -0.06 0.00 0.26 0.00 0.00 34.13 33.38 1j0i s GLU 214 CO 0.22 -0.34 1.32 0.08 -0.54 0.00 0.00 175.26 176.00 1j0i s VAL 215 N 1.89 2.36 0.07 3.70 1.01 -1.26 -0.48 120.40 127.69 1j0i s VAL 215 Ca 0.04 0.29 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 1j0i s VAL 215 Cb -0.13 -3.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.02 1j0i s VAL 215 CO -0.06 0.01 1.55 -0.62 0.00 0.00 0.00 175.10 175.98 1j0i s ASP 216 N -0.93 6.69 0.43 3.32 2.15 0.21 -4.37 116.67 124.17 1j0i s ASP 216 Ca 0.66 2.39 0.21 0.00 0.43 0.00 0.00 52.55 56.25 1j0i s ASP 216 Cb -0.38 -2.57 1.17 0.00 -0.30 0.00 0.00 42.92 40.84 1j0i s ASP 216 CO 0.47 -0.81 1.81 -0.65 -0.17 0.00 0.00 175.17 175.81 1j0i h PRO 217 N 7.80 0.32 0.00 4.34 0.11 -1.90 0.33 132.00 142.99 1j0i h PRO 217 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1j0i h PRO 217 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1j0i h PRO 217 CO 0.91 0.21 0.00 0.45 -0.21 0.00 0.00 178.00 179.36 1j0i h HIS 218 N 0.33 0.00 0.02 0.65 3.86 -1.90 -3.14 115.15 114.97 1j0i h HIS 218 Ca 0.55 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.44 1j0i h HIS 218 Cb 1.51 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.94 1j0i h HIS 218 CO -0.00 0.00 -1.85 1.19 0.86 0.00 0.00 177.93 178.12 1j0i n PHE 219 N -3.04 0.91 -0.24 2.45 3.72 0.96 -4.61 117.46 117.62 1j0i n PHE 219 Ca 0.03 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 1j0i n PHE 219 Cb 0.42 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 37.80 1j0i n PHE 219 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j0i n GLY 220 N 1.67 0.08 0.00 1.37 0.00 -0.05 -1.80 105.19 106.46 1j0i n GLY 220 Ca -0.22 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1j0i n GLY 220 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j0i n ASP 221 N 0.00 0.04 0.16 1.61 5.68 -1.26 -3.98 116.55 118.79 1j0i n ASP 221 Ca 0.00 -0.93 -0.14 0.00 -0.50 0.00 0.00 54.79 53.22 1j0i n ASP 221 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 1j0i n ASP 221 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1j0i h LYS 222 N 0.00 -0.42 0.00 0.11 2.10 -1.99 -2.58 116.57 113.79 1j0i h LYS 222 Ca 0.00 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1j0i h LYS 222 Cb 0.00 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1j0i h LYS 222 CO 0.00 -0.28 0.00 1.05 -2.00 0.00 0.00 179.45 178.22 1j0i h GLU 223 N -0.43 0.00 -0.01 0.07 4.11 -1.98 -0.61 114.58 115.73 1j0i h GLU 223 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1j0i h GLU 223 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1j0i h GLU 223 CO -0.02 0.00 -0.07 1.15 0.07 0.00 0.00 179.01 180.14 1j0i h THR 224 N 0.00 1.55 0.08 -1.06 2.02 -1.91 -2.40 112.91 111.18 1j0i h THR 224 Ca 0.00 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.47 1j0i h THR 224 Cb 0.34 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 1j0i h THR 224 CO 0.00 0.45 -0.07 0.25 0.37 0.00 0.00 175.52 176.52 1j0i h LEU 225 N -0.62 -0.18 -0.58 2.58 5.85 -1.07 -1.43 115.31 119.87 1j0i h LEU 225 Ca -0.01 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1j0i h LEU 225 Cb 0.78 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.78 1j0i h LEU 225 CO 0.01 -0.11 0.12 0.50 -0.34 0.00 0.00 178.44 178.62 1j0i h LYS 226 N -0.16 0.24 0.39 1.25 3.64 -1.21 -0.36 116.57 120.36 1j0i h LYS 226 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1j0i h LYS 226 Cb 0.15 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1j0i h LYS 226 CO -0.01 0.16 -0.37 1.15 -2.27 0.00 0.00 179.45 178.11 1j0i h THR 227 N 0.25 0.24 -0.63 1.00 2.02 -1.08 -0.17 112.91 114.54 1j0i h THR 227 Ca 0.30 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.61 1j0i h THR 227 Cb 0.44 0.24 -0.10 0.00 -1.74 0.00 0.00 68.15 67.00 1j0i h THR 227 CO -0.39 0.00 0.09 0.25 0.37 0.00 0.00 175.52 175.84 1j0i h LEU 228 N -0.78 -0.11 -0.70 2.58 5.85 -0.46 0.52 115.31 122.22 1j0i h LEU 228 Ca -0.03 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 1j0i h LEU 228 Cb 0.69 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1j0i h LEU 228 CO -0.05 -0.05 -0.09 0.40 -0.34 0.00 0.00 178.44 178.31 1j0i h ILE 229 N 0.20 1.26 -0.11 4.05 2.04 -0.83 0.21 117.51 124.33 1j0i h ILE 229 Ca 0.33 -1.20 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 1j0i h ILE 229 Cb 0.53 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1j0i h ILE 229 CO -0.47 0.42 -0.05 0.44 0.00 0.00 0.00 178.15 178.49 1j0i h ASP 230 N 0.82 0.23 -0.98 1.72 5.19 0.04 -0.47 116.42 122.98 1j0i h ASP 230 Ca 0.14 -0.41 0.05 0.00 -0.62 0.00 0.00 57.03 56.19 1j0i h ASP 230 Cb 0.61 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 40.00 1j0i h ASP 230 CO 0.04 0.59 0.63 0.03 -3.12 0.00 0.00 179.24 177.41 1j0i h ARG 231 N -0.12 1.16 -0.17 3.56 2.47 0.09 -0.03 114.38 121.33 1j0i h ARG 231 Ca 0.03 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 1j0i h ARG 231 Cb 0.50 -0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1j0i h ARG 231 CO 0.02 0.77 -0.07 0.00 0.56 0.00 0.00 179.97 181.24 1j0i h HIS 233 N 0.03 1.05 0.00 0.00 3.86 -0.54 0.62 115.15 120.17 1j0i h HIS 233 Ca 0.04 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1j0i h HIS 233 Cb 0.53 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1j0i h HIS 233 CO 0.06 0.59 0.00 0.39 0.86 0.00 0.00 177.93 179.83 1j0i n GLU 234 N -4.55 0.39 -0.23 2.45 1.02 -0.07 -1.23 120.64 118.41 1j0i n GLU 234 Ca 0.11 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.27 1j0i n GLU 234 Cb 0.10 -1.18 0.02 0.00 -0.02 0.00 0.00 31.44 30.36 1j0i n GLU 234 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1j0i n LYS 235 N -0.68 0.49 -2.67 3.49 5.02 0.05 -5.01 118.16 118.85 1j0i n LYS 235 Ca 0.03 -1.13 -0.15 0.00 -2.02 0.00 0.00 58.31 55.04 1j0i n LYS 235 Cb 0.02 -0.70 0.02 0.00 -0.02 0.00 0.00 35.03 34.35 1j0i n LYS 235 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j0i n GLY 236 N -0.26 -0.14 3.20 0.72 0.00 -0.37 -4.99 105.19 103.35 1j0i n GLY 236 Ca 0.02 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1j0i n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0i s ILE 237 N -2.91 2.74 0.48 -0.61 1.01 -0.25 -4.64 121.20 117.03 1j0i s ILE 237 Ca 0.16 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 1j0i s ILE 237 Cb -0.07 -2.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.99 1j0i s ILE 237 CO 0.20 0.32 0.97 -0.13 0.00 0.00 0.00 174.94 176.30 1j0i s ARG 238 N 1.34 4.04 -0.11 2.79 1.81 0.61 -3.45 118.95 125.99 1j0i s ARG 238 Ca 0.02 1.01 0.03 0.00 -1.72 0.00 0.00 55.73 55.06 1j0i s ARG 238 Cb -0.15 -2.15 0.01 0.00 -0.45 0.00 0.00 34.95 32.20 1j0i s ARG 238 CO -0.06 -0.18 -0.19 0.08 -0.68 0.00 0.00 175.30 174.26 1j0i s VAL 239 N -2.47 1.73 -0.12 3.52 1.01 -1.26 0.05 120.40 122.86 1j0i s VAL 239 Ca 0.60 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1j0i s VAL 239 Cb -0.10 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1j0i s VAL 239 CO 0.25 0.49 -0.18 -0.32 0.00 0.00 0.00 175.10 175.34 1j0i s MET 240 N 0.75 3.22 0.31 2.72 1.75 0.12 0.05 119.30 128.22 1j0i s MET 240 Ca -0.11 -0.77 0.04 0.00 -1.25 0.00 0.00 55.69 53.60 1j0i s MET 240 Cb -0.16 -2.50 -0.02 0.00 2.84 0.00 0.00 34.83 34.99 1j0i s MET 240 CO 0.01 0.17 0.46 -0.51 -0.65 0.00 0.00 175.02 174.50 1j0i s LEU 241 N 0.42 4.09 -0.33 4.11 1.43 0.64 -1.53 118.68 127.51 1j0i s LEU 241 Ca -0.13 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 1j0i s LEU 241 Cb -0.17 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 1j0i s LEU 241 CO 0.06 -0.29 0.32 -0.62 0.23 0.00 0.00 176.35 176.04 1j0i s ASP 242 N -4.08 6.14 -0.33 2.29 2.15 -1.15 0.09 116.67 121.78 1j0i s ASP 242 Ca 0.40 -0.19 -0.15 0.00 0.43 0.00 0.00 52.55 53.05 1j0i s ASP 242 Cb -0.09 -2.18 -0.02 0.00 -0.30 0.00 0.00 42.92 40.33 1j0i s ASP 242 CO 0.32 -0.26 0.34 0.00 -0.17 0.00 0.00 175.17 175.39 1j0i s ALA 243 N 1.93 3.51 -1.02 3.66 0.00 -0.15 -4.52 121.76 125.16 1j0i s ALA 243 Ca 0.10 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 1j0i s ALA 243 Cb -0.17 -2.77 0.28 0.00 0.00 0.00 0.00 23.12 20.47 1j0i s ALA 243 CO 0.11 -0.99 1.23 0.28 0.00 0.00 0.00 175.76 176.39 1j0i n VAL 244 N 5.20 4.55 0.24 0.00 0.31 -1.26 -1.11 118.33 126.26 1j0i n VAL 244 Ca -0.10 -5.62 0.12 0.00 -0.01 0.00 0.00 64.34 58.72 1j0i n VAL 244 Cb 0.50 -2.25 0.03 0.00 -0.91 0.00 0.00 33.84 31.21 1j0i n VAL 244 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1j0i n PHE 245 N 1.74 0.80 -0.02 3.52 3.72 -1.26 -4.27 117.46 121.68 1j0i n PHE 245 Ca 0.25 0.23 -0.02 0.00 -0.05 0.00 0.00 57.45 57.86 1j0i n PHE 245 Cb 0.36 -0.84 0.23 0.00 -0.94 0.00 0.00 39.48 38.29 1j0i n PHE 245 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1j0i h ASN 246 N 0.00 0.56 -5.06 4.37 -1.24 -1.86 -3.42 115.58 108.92 1j0i h ASN 246 Ca 0.00 -0.14 -0.10 0.00 0.71 0.00 0.00 56.30 56.77 1j0i h ASN 246 Cb 0.92 -0.15 -0.17 0.00 0.73 0.00 0.00 38.32 39.66 1j0i h ASN 246 CO 0.00 0.70 -0.28 -1.38 -1.29 0.00 0.00 177.43 175.18 1j0i s HIS 247 N -4.79 -0.07 0.48 0.67 -3.43 -1.26 -0.68 115.29 106.21 1j0i s HIS 247 Ca -0.08 -0.09 0.06 0.00 -0.80 0.00 0.00 55.06 54.15 1j0i s HIS 247 Cb 0.15 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.37 1j0i s HIS 247 CO 0.79 -0.49 0.33 0.00 -2.00 0.00 0.00 174.74 173.36 1j0i s GLY 249 N -4.14 1.72 0.30 0.00 0.00 0.19 -3.06 107.32 102.34 1j0i s GLY 249 Ca 0.38 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.99 1j0i s GLY 249 CO 0.22 -0.64 1.79 -1.82 0.00 0.00 0.00 173.10 172.65 1j0i h TYR 250 N -0.74 0.58 -0.22 1.90 3.20 -1.57 -2.68 116.97 117.44 1j0i h TYR 250 Ca -0.43 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.35 1j0i h TYR 250 Cb 1.29 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1j0i h TYR 250 CO -0.01 0.64 0.00 0.39 -1.64 0.00 0.00 178.16 177.54 1j0i n GLU 251 N -4.20 1.76 -2.20 1.82 1.02 -1.26 -4.18 120.64 113.40 1j0i n GLU 251 Ca 0.01 -0.89 -0.43 0.00 -0.02 0.00 0.00 57.16 55.83 1j0i n GLU 251 Cb 0.32 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 1j0i n GLU 251 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1j0i s PHE 252 N -1.65 2.27 0.16 -0.32 5.36 -1.01 -4.75 117.98 118.05 1j0i s PHE 252 Ca 0.16 0.63 -0.22 0.00 -0.96 0.00 0.00 56.93 56.54 1j0i s PHE 252 Cb 0.10 -3.94 0.05 0.00 -0.34 0.00 0.00 43.02 38.89 1j0i s PHE 252 CO 0.09 -2.63 1.34 0.00 -1.46 0.00 0.00 175.22 172.55 1j0i n ALA 253 N 8.09 -0.38 -0.34 11.12 0.00 -1.26 0.28 120.51 138.02 1j0i n ALA 253 Ca 0.17 0.79 0.16 0.00 0.00 0.00 0.00 53.44 54.56 1j0i n ALA 253 Cb 0.45 -0.23 0.37 0.00 0.00 0.00 0.00 19.45 20.05 1j0i n ALA 253 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1j0i h PRO 254 N 0.00 0.63 -0.00 0.00 0.11 -1.93 -0.71 132.00 130.09 1j0i h PRO 254 Ca 0.20 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 66.01 1j0i h PRO 254 Cb 0.42 -0.14 0.02 0.00 0.11 0.00 0.00 31.00 31.41 1j0i h PRO 254 CO -0.83 0.42 -1.04 0.35 -0.21 0.00 0.00 178.00 176.69 1j0i h PHE 255 N 0.65 1.02 -0.62 0.65 3.57 -0.51 -3.08 116.94 118.62 1j0i h PHE 255 Ca 0.59 -0.55 0.10 0.00 3.53 0.00 0.00 57.97 61.64 1j0i h PHE 255 Cb 1.07 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1j0i h PHE 255 CO -0.00 1.39 0.42 1.96 -2.23 0.00 0.00 178.31 179.84 1j0i h GLN 256 N 0.39 0.42 -0.56 1.11 4.20 0.56 -0.95 115.11 120.28 1j0i h GLN 256 Ca -0.13 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 1j0i h GLN 256 Cb 1.69 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.35 1j0i h GLN 256 CO 0.20 0.28 0.11 0.22 -0.67 0.00 0.00 178.83 178.97 1j0i h ASP 257 N 0.43 0.87 -0.21 1.46 3.58 -1.11 -2.69 116.42 118.75 1j0i h ASP 257 Ca 0.29 -0.25 -0.15 0.00 0.42 0.00 0.00 57.03 57.34 1j0i h ASP 257 Cb 0.56 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1j0i h ASP 257 CO -0.08 0.90 -0.46 0.58 -2.88 0.00 0.00 179.24 177.30 1j0i h VAL 258 N 0.81 1.31 0.00 2.25 2.07 -1.16 -1.00 116.25 120.54 1j0i h VAL 258 Ca 0.17 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1j0i h VAL 258 Cb 0.39 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1j0i h VAL 258 CO 0.01 0.53 0.00 -0.25 0.02 0.00 0.00 177.57 177.88 1j0i h TRP 259 N 0.40 0.00 0.01 1.57 7.01 -1.31 0.44 115.95 124.06 1j0i h TRP 259 Ca 0.00 0.00 -0.32 0.00 2.11 0.00 0.00 58.89 60.69 1j0i h TRP 259 Cb 1.07 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 28.08 1j0i h TRP 259 CO 0.09 0.00 -1.73 1.17 -2.79 0.00 0.00 178.44 175.17 1j0i n LYS 260 N -2.46 0.59 -0.05 2.65 4.81 -1.02 -4.73 118.16 117.95 1j0i n LYS 260 Ca 0.01 0.45 -0.21 0.00 -0.87 0.00 0.00 58.31 57.68 1j0i n LYS 260 Cb 0.19 -1.66 -0.13 0.00 0.02 0.00 0.00 35.03 33.45 1j0i n LYS 260 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1j0i h ASN 261 N -0.91 0.20 0.00 3.14 2.35 -1.14 -3.51 115.58 115.71 1j0i h ASN 261 Ca -0.47 -0.72 0.00 0.00 -0.55 0.00 0.00 56.30 54.56 1j0i h ASN 261 Cb 1.46 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1j0i h ASN 261 CO -0.26 1.61 0.00 0.61 -1.65 0.00 0.00 177.43 177.75 1j0i n GLY 262 N 1.66 0.84 1.31 2.83 0.00 0.14 -4.38 105.19 107.60 1j0i n GLY 262 Ca -0.30 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1j0i n GLY 262 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j0i n GLU 263 N 1.02 0.53 0.00 1.61 2.13 -1.26 -2.10 120.64 122.57 1j0i n GLU 263 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1j0i n GLU 263 Cb 0.00 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.47 1j0i n GLU 263 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1j0i n SER 264 N 1.16 3.03 -4.65 4.31 7.64 -1.26 -5.08 113.62 118.76 1j0i n SER 264 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1j0i n SER 264 Cb 0.26 0.23 0.03 0.00 -1.01 0.00 0.00 64.21 63.73 1j0i n SER 264 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1j0i n SER 265 N -1.65 1.56 0.00 6.43 3.41 -0.89 -4.88 113.62 117.61 1j0i n SER 265 Ca 0.00 0.97 0.07 0.00 -0.26 0.00 0.00 58.87 59.65 1j0i n SER 265 Cb 0.32 -1.43 0.44 0.00 -0.26 0.00 0.00 64.21 63.29 1j0i n SER 265 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1j0i n LYS 266 N -0.39 0.85 -0.12 4.33 2.85 -1.26 -2.87 118.16 121.55 1j0i n LYS 266 Ca 0.10 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.45 1j0i n LYS 266 Cb 0.43 -1.27 0.14 0.00 -0.65 0.00 0.00 35.03 33.67 1j0i n LYS 266 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1j0i n TYR 267 N -0.77 0.14 -0.33 5.58 4.01 -1.26 -4.74 117.16 119.79 1j0i n TYR 267 Ca 0.11 -0.90 -0.04 0.00 -0.16 0.00 0.00 57.90 56.91 1j0i n TYR 267 Cb 0.05 -0.16 0.09 0.00 -0.31 0.00 0.00 39.34 39.01 1j0i n TYR 267 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1j0i h LYS 268 N 0.30 1.20 -0.00 -0.72 2.10 -1.85 -2.25 116.57 115.34 1j0i h LYS 268 Ca 0.00 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1j0i h LYS 268 Cb 0.99 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1j0i h LYS 268 CO 0.03 0.83 -0.01 -3.47 -2.00 0.00 0.00 179.45 174.83 1j0i n ASP 269 N -4.41 0.31 0.12 7.07 2.03 -1.26 -3.25 116.55 117.15 1j0i n ASP 269 Ca 0.09 -1.00 0.13 0.00 0.52 0.00 0.00 54.79 54.53 1j0i n ASP 269 Cb 0.05 -0.03 0.44 0.00 -0.72 0.00 0.00 41.12 40.86 1j0i n ASP 269 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1j0i n TRP 270 N -0.81 0.89 -4.26 -0.67 7.02 -0.85 -4.68 117.44 114.09 1j0i n TRP 270 Ca 0.22 0.29 -0.12 0.00 -1.02 0.00 0.00 57.50 56.87 1j0i n TRP 270 Cb 0.18 -0.97 -0.03 0.00 -2.42 0.00 0.00 31.31 28.06 1j0i n TRP 270 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1j0i n PHE 271 N -2.26 0.21 -3.68 -5.99 3.72 -1.20 -0.54 117.46 107.72 1j0i n PHE 271 Ca 0.04 -1.13 -0.35 0.00 -0.05 0.00 0.00 57.45 55.96 1j0i n PHE 271 Cb 0.35 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 38.77 1j0i n PHE 271 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1j0i s HIS 272 N -2.08 3.80 -0.20 1.38 3.76 -1.23 -4.65 115.29 116.08 1j0i s HIS 272 Ca 0.06 -3.04 -0.09 0.00 -0.15 0.00 0.00 55.06 51.84 1j0i s HIS 272 Cb 0.00 -3.17 -0.05 0.00 1.11 0.00 0.00 32.58 30.48 1j0i s HIS 272 CO 0.04 -0.72 0.11 0.42 -0.85 0.00 0.00 174.74 173.74 1j0i s ILE 273 N -1.22 5.17 -0.13 0.60 1.01 -1.26 -0.57 121.20 124.80 1j0i s ILE 273 Ca 0.26 0.11 0.20 0.00 0.00 0.00 0.00 60.65 61.22 1j0i s ILE 273 Cb -0.08 -3.36 -0.20 0.00 0.01 0.00 0.00 42.46 38.83 1j0i s ILE 273 CO -0.12 0.43 0.64 1.41 0.00 0.00 0.00 174.94 177.30 1j0i n HIS 274 N 3.66 0.47 -3.54 3.97 8.25 -0.48 -5.01 115.22 122.54 1j0i n HIS 274 Ca -0.16 0.15 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1j0i n HIS 274 Cb 0.52 -0.83 -0.02 0.00 1.12 0.00 0.00 29.99 30.78 1j0i n HIS 274 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1j0i s GLU 275 N -3.18 1.35 0.02 -0.41 -1.05 -1.24 -5.10 118.70 109.09 1j0i s GLU 275 Ca -0.05 -0.58 0.06 0.00 -0.15 0.00 0.00 54.97 54.25 1j0i s GLU 275 Cb 0.10 0.57 -0.02 0.00 -0.44 0.00 0.00 34.13 34.34 1j0i s GLU 275 CO 0.85 -0.60 -0.19 -0.06 0.95 0.00 0.00 175.26 176.21 1j0i s PHE 276 N -3.71 1.69 1.03 4.83 0.08 -1.26 -4.23 117.98 116.40 1j0i s PHE 276 Ca 0.04 -0.35 -0.17 0.00 0.12 0.00 0.00 56.93 56.58 1j0i s PHE 276 Cb -0.02 -1.04 0.22 0.00 -0.57 0.00 0.00 43.02 41.61 1j0i s PHE 276 CO -0.08 0.03 1.24 -1.25 -0.10 0.00 0.00 175.22 175.07 1j0i s PRO 277 N -0.85 0.11 0.24 0.24 0.04 -1.26 -5.04 135.00 128.49 1j0i s PRO 277 Ca 0.07 -0.25 -0.30 0.00 0.04 0.00 0.00 61.00 60.56 1j0i s PRO 277 Cb -0.08 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 1j0i s PRO 277 CO 0.01 -2.79 0.99 -0.51 0.04 0.00 0.00 177.00 174.73 1j0i s LEU 278 N -6.22 4.61 0.19 -3.56 1.02 -1.26 -4.99 118.68 108.47 1j0i s LEU 278 Ca 0.72 2.03 0.11 0.00 0.02 0.00 0.00 54.13 57.01 1j0i s LEU 278 Cb -0.06 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.49 1j0i s LEU 278 CO 0.54 0.06 -0.23 -1.10 0.02 0.00 0.00 176.35 175.64 1j0i s GLN 279 N -1.17 1.48 -0.01 1.70 -0.21 -1.26 -5.00 119.66 115.19 1j0i s GLN 279 Ca 0.42 -1.52 0.15 0.00 0.02 0.00 0.00 55.36 54.44 1j0i s GLN 279 Cb -0.27 -1.75 -0.21 0.00 1.00 0.00 0.00 33.01 31.78 1j0i s GLN 279 CO 0.34 0.37 0.44 0.25 -2.12 0.00 0.00 175.29 174.57 1j0i n THR 280 N 0.23 0.00 -3.82 -0.19 -2.24 -1.26 -2.32 114.28 104.68 1j0i n THR 280 Ca -0.12 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 1j0i n THR 280 Cb 0.56 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 1j0i n THR 280 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1j0i s GLU 281 N -2.84 1.54 0.34 -0.78 4.04 -1.26 -2.88 118.70 116.86 1j0i s GLU 281 Ca -0.02 -0.97 0.14 0.00 0.04 0.00 0.00 54.97 54.17 1j0i s GLU 281 Cb 0.10 0.54 1.08 0.00 0.02 0.00 0.00 34.13 35.87 1j0i s GLU 281 CO 0.63 -0.67 1.66 -1.35 -1.84 0.00 0.00 175.26 173.69 1j0i h PRO 282 N 2.13 0.30 -4.32 -4.83 0.11 -2.05 -3.46 132.00 119.89 1j0i h PRO 282 Ca -0.25 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.60 1j0i h PRO 282 Cb 1.26 -0.07 -0.22 0.00 0.11 0.00 0.00 31.00 32.09 1j0i h PRO 282 CO 0.32 0.20 -0.72 1.03 -0.21 0.00 0.00 178.00 178.62 1j0i s ARG 283 N -5.68 0.43 0.52 1.05 0.52 -1.26 -5.14 118.95 109.39 1j0i s ARG 283 Ca -0.10 -0.66 -0.21 0.00 -0.52 0.00 0.00 55.73 54.23 1j0i s ARG 283 Cb 0.30 -0.14 -0.07 0.00 0.52 0.00 0.00 34.95 35.56 1j0i s ARG 283 CO 0.79 0.01 1.06 -2.30 0.02 0.00 0.00 175.30 174.88 1j0i n PRO 284 N 1.61 1.26 -0.67 3.54 -0.02 -1.14 -4.61 135.00 134.98 1j0i n PRO 284 Ca -0.23 0.46 -0.07 0.00 -2.02 0.00 0.00 63.50 61.65 1j0i n PRO 284 Cb 0.55 -2.20 0.17 0.00 -0.02 0.00 0.00 33.50 32.00 1j0i n PRO 284 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1j0i n ASN 285 N -0.25 3.65 -3.83 2.55 0.23 -0.98 -4.79 115.26 111.83 1j0i n ASN 285 Ca 0.11 -2.81 -0.12 0.00 -0.53 0.00 0.00 54.58 51.23 1j0i n ASN 285 Cb 0.43 -0.67 -0.10 0.00 -2.08 0.00 0.00 39.78 37.36 1j0i n ASN 285 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1j0i s TYR 286 N -2.04 -0.09 0.58 -2.53 1.13 -1.26 -1.39 117.35 111.76 1j0i s TYR 286 Ca 0.34 0.17 -0.19 0.00 -1.41 0.00 0.00 57.07 55.97 1j0i s TYR 286 Cb 0.28 0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 41.12 1j0i s TYR 286 CO 0.08 -0.24 1.25 -0.51 -2.51 0.00 0.00 175.55 173.62 1j0i s ASP 287 N -0.85 5.18 0.36 -0.18 1.01 0.27 -4.91 116.67 117.55 1j0i s ASP 287 Ca -0.09 2.49 -0.10 0.00 0.71 0.00 0.00 52.55 55.56 1j0i s ASP 287 Cb -0.05 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.30 1j0i s ASP 287 CO 0.01 -1.61 0.63 0.42 0.21 0.00 0.00 175.17 174.84 1j0i s THR 288 N -1.50 0.00 0.14 -1.27 -4.23 -1.26 -1.03 115.64 106.49 1j0i s THR 288 Ca 0.76 -1.29 -0.30 0.00 -1.18 0.00 0.00 61.69 59.68 1j0i s THR 288 Cb -0.33 -2.73 -0.07 0.00 1.34 0.00 0.00 72.50 70.71 1j0i s THR 288 CO 0.37 0.00 1.20 0.12 -0.54 0.00 0.00 174.62 175.77 1j0i s PHE 289 N -2.73 3.44 0.00 3.99 5.36 0.03 -4.66 117.98 123.40 1j0i s PHE 289 Ca 0.22 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 1j0i s PHE 289 Cb -0.03 -3.42 0.00 0.00 -0.34 0.00 0.00 43.02 39.23 1j0i s PHE 289 CO 0.15 -1.23 0.00 0.00 -1.46 0.00 0.00 175.22 172.69 1j0i n ALA 290 N 3.03 0.00 -1.74 11.12 0.00 -1.26 -1.27 120.51 130.39 1j0i n ALA 290 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.56 1j0i n ALA 290 Cb 0.45 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.05 1j0i n ALA 290 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1j0i n PHE 291 N 14.00 0.00 -2.38 0.00 3.01 -1.26 -5.04 117.46 125.79 1j0i n PHE 291 Ca 0.00 -1.11 -0.43 0.00 1.01 0.00 0.00 57.45 56.92 1j0i n PHE 291 Cb 0.00 -0.20 -0.02 0.00 -0.01 0.00 0.00 39.48 39.25 1j0i n PHE 291 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1j0i s VAL 292 N -2.27 4.20 0.39 -4.37 1.01 -0.40 -4.75 120.40 114.21 1j0i s VAL 292 Ca 0.34 1.43 0.17 0.00 0.00 0.00 0.00 61.98 63.92 1j0i s VAL 292 Cb 0.34 -3.97 0.16 0.00 0.00 0.00 0.00 36.38 32.91 1j0i s VAL 292 CO -0.07 -0.18 1.92 -0.65 0.00 0.00 0.00 175.10 176.12 1j0i h PRO 293 N 8.51 0.00 -0.01 2.72 0.11 -1.88 -2.75 132.00 138.70 1j0i h PRO 293 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1j0i h PRO 293 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1j0i h PRO 293 CO 0.98 0.26 0.00 1.04 -0.21 0.00 0.00 178.00 180.07 1j0i n GLN 294 N -4.03 1.05 -3.31 1.05 3.00 -1.26 -4.22 117.38 109.66 1j0i n GLN 294 Ca -0.02 -0.07 -0.26 0.00 -0.01 0.00 0.00 57.00 56.64 1j0i n GLN 294 Cb 0.33 -1.33 -0.08 0.00 0.00 0.00 0.00 30.24 29.17 1j0i n GLN 294 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1j0i n MET 295 N -0.75 1.62 -2.18 -1.09 2.81 -1.04 -1.76 117.12 114.74 1j0i n MET 295 Ca 0.15 -3.95 -0.42 0.00 -1.81 0.00 0.00 57.70 51.68 1j0i n MET 295 Cb 0.09 -1.74 -0.03 0.00 -0.71 0.00 0.00 33.22 30.83 1j0i n MET 295 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1j0i s PRO 296 N -1.82 4.34 0.25 0.03 0.04 -1.17 -0.79 135.00 135.87 1j0i s PRO 296 Ca 0.37 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 1j0i s PRO 296 Cb 0.16 -3.23 -0.11 0.00 0.04 0.00 0.00 34.50 31.36 1j0i s PRO 296 CO -0.06 -0.39 1.54 0.21 0.04 0.00 0.00 177.00 178.34 1j0i s LYS 297 N 0.74 4.19 0.36 4.56 2.20 -0.20 -2.01 119.74 129.59 1j0i s LYS 297 Ca 0.62 2.44 -0.15 0.00 -0.36 0.00 0.00 55.97 58.52 1j0i s LYS 297 Cb -0.37 -3.08 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 1j0i s LYS 297 CO 0.33 -0.56 0.78 -0.51 -0.36 0.00 0.00 175.35 175.03 1j0i s LEU 298 N -0.04 3.98 -0.97 5.43 1.43 0.14 -3.49 118.68 125.17 1j0i s LEU 298 Ca 0.64 1.32 -0.13 0.00 -1.03 0.00 0.00 54.13 54.92 1j0i s LEU 298 Cb -0.45 -4.15 0.22 0.00 0.03 0.00 0.00 46.19 41.84 1j0i s LEU 298 CO 0.42 -0.28 0.99 0.21 0.23 0.00 0.00 176.35 177.92 1j0i s ASN 299 N -2.47 6.95 0.00 2.29 2.47 0.30 -4.86 114.94 119.62 1j0i s ASN 299 Ca 0.55 -2.91 0.05 0.00 0.42 0.00 0.00 52.86 50.98 1j0i s ASN 299 Cb -0.10 -2.26 0.33 0.00 -1.45 0.00 0.00 41.25 37.77 1j0i s ASN 299 CO 0.20 -0.57 0.71 0.35 -3.72 0.00 0.00 177.10 174.07 1j0i n THR 300 N 3.86 0.00 0.03 -5.21 -2.24 -1.26 -0.85 114.28 108.62 1j0i n THR 300 Ca 0.21 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.06 1j0i n THR 300 Cb 0.45 -0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 67.89 1j0i n THR 300 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j0i n ALA 301 N -0.83 2.40 -2.19 6.98 0.00 -1.26 -4.60 120.51 121.01 1j0i n ALA 301 Ca 0.04 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.57 1j0i n ALA 301 Cb 0.02 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1j0i n ALA 301 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j0i s ASN 302 N -5.20 6.81 0.45 0.00 3.84 -0.03 -4.91 114.94 115.90 1j0i s ASN 302 Ca -0.04 2.07 0.20 0.00 0.21 0.00 0.00 52.86 55.30 1j0i s ASN 302 Cb 0.10 -2.55 1.17 0.00 -0.55 0.00 0.00 41.25 39.42 1j0i s ASN 302 CO 0.84 -0.80 1.90 1.55 -2.79 0.00 0.00 177.10 177.79 1j0i h PRO 303 N 8.45 0.30 0.05 0.43 0.13 -1.89 0.86 132.00 140.33 1j0i h PRO 303 Ca -0.36 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1j0i h PRO 303 Cb 1.16 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1j0i h PRO 303 CO 0.93 0.20 -0.02 0.93 -0.23 0.00 0.00 178.00 179.81 1j0i h GLU 304 N 0.30 -0.06 -0.36 0.86 5.08 -1.94 -1.55 114.58 116.93 1j0i h GLU 304 Ca 0.41 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.82 1j0i h GLU 304 Cb 1.13 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1j0i h GLU 304 CO -0.11 0.49 0.07 0.28 -1.00 0.00 0.00 179.01 178.73 1j0i h VAL 305 N -0.66 0.82 -0.32 3.13 2.07 -1.68 0.31 116.25 119.92 1j0i h VAL 305 Ca -0.01 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1j0i h VAL 305 Cb 0.57 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1j0i h VAL 305 CO 0.01 0.04 0.12 0.50 0.02 0.00 0.00 177.57 178.25 1j0i h LYS 306 N 0.19 0.25 0.18 1.57 3.64 -0.89 0.62 116.57 122.13 1j0i h LYS 306 Ca 0.17 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1j0i h LYS 306 Cb 0.19 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1j0i h LYS 306 CO -0.22 0.17 -0.09 -0.09 -2.27 0.00 0.00 179.45 176.95 1j0i h ARG 307 N 0.26 -0.23 -0.32 1.90 9.65 -0.75 0.21 114.38 125.09 1j0i h ARG 307 Ca 0.14 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.09 1j0i h ARG 307 Cb 0.11 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 1j0i h ARG 307 CO -0.14 -0.15 0.06 -0.92 2.80 0.00 0.00 179.97 181.62 1j0i h TYR 308 N -0.24 0.09 -0.71 2.20 5.03 -0.68 0.22 116.97 122.88 1j0i h TYR 308 Ca -0.02 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 1j0i h TYR 308 Cb 0.19 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.44 1j0i h TYR 308 CO -0.06 0.01 0.21 -0.07 -1.32 0.00 0.00 178.16 176.92 1j0i h LEU 309 N 0.17 1.04 -1.39 2.82 3.38 -0.63 -0.30 115.31 120.40 1j0i h LEU 309 Ca 0.15 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1j0i h LEU 309 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1j0i h LEU 309 CO -0.21 0.99 -0.29 -0.07 0.09 0.00 0.00 178.44 178.95 1j0i h LEU 310 N 1.05 0.00 -0.37 1.67 3.38 -0.13 -0.19 115.31 120.73 1j0i h LEU 310 Ca 0.23 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1j0i h LEU 310 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1j0i h LEU 310 CO -0.00 0.29 -0.31 0.44 0.09 0.00 0.00 178.44 178.95 1j0i h ASP 311 N 0.00 0.91 -0.42 -0.43 3.32 0.44 -2.15 116.42 118.09 1j0i h ASP 311 Ca -0.00 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1j0i h ASP 311 Cb 0.60 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1j0i h ASP 311 CO 0.04 1.17 0.24 0.58 -1.72 0.00 0.00 179.24 179.55 1j0i h VAL 312 N 0.66 1.15 -0.25 -1.35 2.07 -0.37 0.25 116.25 118.41 1j0i h VAL 312 Ca 0.07 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1j0i h VAL 312 Cb 0.89 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1j0i h VAL 312 CO 0.08 0.15 0.02 0.00 0.02 0.00 0.00 177.57 177.84 1j0i h ALA 313 N 1.10 0.23 -0.00 1.67 0.00 -0.88 -3.04 119.26 118.34 1j0i h ALA 313 Ca 0.15 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.90 1j0i h ALA 313 Cb 0.03 0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.94 1j0i h ALA 313 CO -0.03 -0.40 -0.88 1.79 0.00 0.00 0.00 179.25 179.74 1j0i h THR 314 N 0.10 1.33 -0.66 0.00 1.35 -1.28 -3.33 112.91 110.42 1j0i h THR 314 Ca 0.12 -2.18 0.07 0.00 -0.55 0.00 0.00 66.41 63.87 1j0i h THR 314 Cb 0.14 2.46 -0.10 0.00 -1.73 0.00 0.00 68.15 68.92 1j0i h THR 314 CO -0.18 0.66 -0.56 0.22 -0.25 0.00 0.00 175.52 175.41 1j0i h TYR 315 N 0.21 -1.75 0.00 4.73 3.20 -0.38 -0.39 116.97 122.59 1j0i h TYR 315 Ca -0.11 0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1j0i h TYR 315 Cb 1.55 0.85 -0.01 0.00 1.54 0.00 0.00 36.73 40.67 1j0i h TYR 315 CO 0.12 -0.44 -0.18 -1.49 -1.64 0.00 0.00 178.16 174.53 1j0i h TRP 316 N -0.22 0.00 -0.00 -3.82 4.06 -1.70 -1.35 115.95 112.91 1j0i h TRP 316 Ca 0.12 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.06 1j0i h TRP 316 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 1j0i h TRP 316 CO -0.85 0.18 -0.01 0.82 -3.56 0.00 0.00 178.44 175.02 1j0i h ILE 317 N 0.00 1.51 -0.19 1.49 2.04 -1.34 -2.11 117.51 118.91 1j0i h ILE 317 Ca -0.00 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 1j0i h ILE 317 Cb 0.46 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1j0i h ILE 317 CO 0.02 0.40 0.06 -0.09 0.00 0.00 0.00 178.15 178.54 1j0i h ARG 318 N -0.62 0.30 -0.05 2.37 2.43 -1.00 0.36 114.38 118.17 1j0i h ARG 318 Ca -0.00 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1j0i h ARG 318 Cb 0.66 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1j0i h ARG 318 CO 0.00 0.42 -0.18 0.93 -1.51 0.00 0.00 179.97 179.63 1j0i h GLU 319 N 0.13 0.21 -0.01 0.20 4.39 -1.37 -3.37 114.58 114.77 1j0i h GLU 319 Ca 0.06 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1j0i h GLU 319 Cb 0.24 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1j0i h GLU 319 CO -0.00 0.79 -0.39 1.19 -1.16 0.00 0.00 179.01 179.43 1j0i n PHE 320 N -4.58 0.00 -3.42 4.33 3.72 -0.80 -5.02 117.46 111.69 1j0i n PHE 320 Ca -0.08 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.12 1j0i n PHE 320 Cb 0.41 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.03 1j0i n PHE 320 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1j0i n ASP 321 N -0.34 -4.59 -4.78 4.37 4.64 0.13 -4.92 116.55 111.06 1j0i n ASP 321 Ca 0.06 -0.51 -0.32 0.00 -1.38 0.00 0.00 54.79 52.63 1j0i n ASP 321 Cb 0.32 -4.63 0.06 0.00 -1.04 0.00 0.00 41.12 35.82 1j0i n ASP 321 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 1j0i s ILE 322 N -3.30 3.37 -1.83 5.18 -4.36 -1.25 -4.93 121.20 114.08 1j0i s ILE 322 Ca 0.35 0.57 0.16 0.00 -0.26 0.00 0.00 60.65 61.47 1j0i s ILE 322 Cb -0.15 -3.09 0.26 0.00 1.25 0.00 0.00 42.46 40.72 1j0i s ILE 322 CO 0.66 -0.47 1.16 0.47 0.24 0.00 0.00 174.94 177.01 1j0i n ASP 323 N -2.75 2.77 -3.61 4.36 9.92 0.11 -4.85 116.55 122.49 1j0i n ASP 323 Ca 0.10 -1.81 -0.08 0.00 -0.53 0.00 0.00 54.79 52.47 1j0i n ASP 323 Cb 0.52 -0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 40.82 1j0i n ASP 323 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1j0i s GLY 324 N -1.25 -0.11 -0.23 0.44 0.00 -1.08 -0.85 107.32 104.24 1j0i s GLY 324 Ca 0.25 2.48 -0.00 0.00 0.00 0.00 0.00 44.72 47.44 1j0i s GLY 324 CO 0.22 1.31 -0.10 -0.98 0.00 0.00 0.00 173.10 173.55 1j0i s TRP 325 N -0.68 3.01 -0.44 1.90 0.23 0.07 -0.26 118.94 122.76 1j0i s TRP 325 Ca 0.02 -1.66 -0.20 0.00 -2.03 0.00 0.00 56.10 52.24 1j0i s TRP 325 Cb -0.02 -2.00 0.03 0.00 0.03 0.00 0.00 33.47 31.50 1j0i s TRP 325 CO -0.04 -0.76 0.61 0.50 0.96 0.00 0.00 176.95 178.22 1j0i s ARG 326 N 1.29 3.22 -0.70 4.98 3.00 0.11 -1.51 118.95 129.34 1j0i s ARG 326 Ca 0.00 -0.50 -0.27 0.00 -1.00 0.00 0.00 55.73 53.96 1j0i s ARG 326 Cb -0.16 -3.97 0.03 0.00 0.00 0.00 0.00 34.95 30.85 1j0i s ARG 326 CO -0.07 -1.01 1.24 -0.51 0.00 0.00 0.00 175.30 174.95 1j0i s LEU 327 N 2.68 3.32 0.24 -0.88 1.43 0.34 -0.98 118.68 124.83 1j0i s LEU 327 Ca 0.20 -0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 52.59 1j0i s LEU 327 Cb -0.15 -2.65 -0.12 0.00 0.03 0.00 0.00 46.19 43.30 1j0i s LEU 327 CO 0.17 -1.74 1.67 -0.62 0.23 0.00 0.00 176.35 176.06 1j0i s ASP 328 N 3.59 6.38 -1.52 2.29 2.15 -0.27 -0.14 116.67 129.16 1j0i s ASP 328 Ca 0.35 2.90 -0.01 0.00 0.43 0.00 0.00 52.55 56.22 1j0i s ASP 328 Cb -0.09 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 1j0i s ASP 328 CO 0.16 -0.95 0.13 0.52 -0.17 0.00 0.00 175.17 174.87 1j0i n VAL 329 N 3.29 -1.55 -0.31 1.11 0.31 -1.26 -4.40 118.33 115.52 1j0i n VAL 329 Ca 0.13 -0.49 -0.04 0.00 -0.01 0.00 0.00 64.34 63.93 1j0i n VAL 329 Cb 0.36 -1.46 0.08 0.00 -0.91 0.00 0.00 33.84 31.91 1j0i n VAL 329 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j0i h ALA 330 N 0.81 1.07 -0.16 3.52 0.00 -1.37 -2.82 119.26 120.30 1j0i h ALA 330 Ca -0.65 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.22 1j0i h ALA 330 Cb 1.39 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1j0i h ALA 330 CO 0.69 0.52 0.23 -2.95 0.00 0.00 0.00 179.25 177.73 1j0i h ASN 331 N 1.15 0.00 -0.05 0.00 -0.00 -1.89 -1.56 115.58 113.23 1j0i h ASN 331 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.61 1j0i h ASN 331 Cb -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.24 1j0i h ASN 331 CO -0.06 0.00 0.00 -0.62 -0.00 0.00 0.00 177.43 176.75 1j0i n GLU 332 N -3.58 1.51 -3.96 4.14 1.02 -1.06 -4.81 120.64 113.89 1j0i n GLU 332 Ca 0.01 -0.75 -0.34 0.00 -0.02 0.00 0.00 57.16 56.06 1j0i n GLU 332 Cb 0.34 -1.45 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 1j0i n GLU 332 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1j0i s ILE 333 N -1.95 5.24 0.77 -3.67 1.01 -0.59 -5.06 121.20 116.95 1j0i s ILE 333 Ca 0.38 -0.19 -0.13 0.00 0.00 0.00 0.00 60.65 60.71 1j0i s ILE 333 Cb 0.20 -3.41 0.06 0.00 0.01 0.00 0.00 42.46 39.31 1j0i s ILE 333 CO 0.31 0.37 1.16 1.51 0.00 0.00 0.00 174.94 178.29 1j0i s ASP 334 N -1.77 4.10 0.27 3.58 -4.77 -1.26 -4.93 116.67 111.89 1j0i s ASP 334 Ca 0.25 2.19 0.02 0.00 -3.30 0.00 0.00 52.55 51.70 1j0i s ASP 334 Cb -0.12 -2.57 0.38 0.00 -1.09 0.00 0.00 42.92 39.52 1j0i s ASP 334 CO 0.16 -2.32 1.70 0.45 0.70 0.00 0.00 175.17 175.86 1j0i h HIS 335 N -0.71 0.56 -0.48 2.11 3.86 -1.96 -3.00 115.15 115.52 1j0i h HIS 335 Ca -0.46 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 58.65 1j0i h HIS 335 Cb 1.27 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.57 1j0i h HIS 335 CO 0.51 0.72 0.28 1.49 0.86 0.00 0.00 177.93 181.79 1j0i h GLU 336 N 0.43 0.54 -0.43 2.45 4.81 -1.99 -1.08 114.58 119.32 1j0i h GLU 336 Ca 0.06 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1j0i h GLU 336 Cb 0.71 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1j0i h GLU 336 CO 0.05 0.36 0.22 0.35 -0.73 0.00 0.00 179.01 179.26 1j0i h PHE 337 N 0.56 0.60 0.00 0.92 3.04 -1.84 -2.29 116.94 117.93 1j0i h PHE 337 Ca 0.20 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 1j0i h PHE 337 Cb 0.04 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.35 1j0i h PHE 337 CO -0.07 0.48 -0.09 -1.49 -2.02 0.00 0.00 178.31 175.12 1j0i h TRP 338 N 0.55 0.00 0.19 0.41 -0.00 -1.32 0.16 115.95 115.95 1j0i h TRP 338 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.03 1j0i h TRP 338 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.26 1j0i h TRP 338 CO -0.02 0.09 -0.09 0.00 -0.00 0.00 0.00 178.44 178.42 1j0i h ARG 339 N 0.00 -0.25 -0.78 0.49 3.08 -0.67 -0.58 114.38 115.67 1j0i h ARG 339 Ca -0.00 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.13 1j0i h ARG 339 Cb 0.17 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 1j0i h ARG 339 CO 0.01 0.11 0.46 0.93 -1.07 0.00 0.00 179.97 180.42 1j0i h GLU 340 N -0.68 0.82 -0.22 0.04 5.08 -1.05 -1.53 114.58 117.04 1j0i h GLU 340 Ca -0.03 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1j0i h GLU 340 Cb 0.48 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1j0i h GLU 340 CO 0.04 0.54 -0.15 0.35 -1.00 0.00 0.00 179.01 178.80 1j0i h PHE 341 N 0.84 -0.37 -0.74 4.33 3.57 -0.56 -1.32 116.94 122.69 1j0i h PHE 341 Ca 0.35 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 1j0i h PHE 341 Cb 0.19 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1j0i h PHE 341 CO -0.05 -0.22 0.41 -0.09 -2.23 0.00 0.00 178.31 176.13 1j0i h ARG 342 N -0.14 1.03 0.63 1.11 2.43 -0.42 -1.93 114.38 117.08 1j0i h ARG 342 Ca 0.12 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1j0i h ARG 342 Cb 0.33 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1j0i h ARG 342 CO -0.30 0.76 -0.37 1.96 -1.51 0.00 0.00 179.97 180.51 1j0i h GLN 343 N 1.02 -0.90 -0.92 0.20 4.20 -0.66 -0.23 115.11 117.82 1j0i h GLN 343 Ca 0.26 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1j0i h GLN 343 Cb 0.03 0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1j0i h GLN 343 CO -0.04 -0.60 0.58 0.93 -0.67 0.00 0.00 178.83 179.03 1j0i h GLU 344 N -0.94 1.22 -0.18 1.46 5.08 -1.22 -0.24 114.58 119.77 1j0i h GLU 344 Ca -0.08 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1j0i h GLU 344 Cb 0.75 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1j0i h GLU 344 CO 0.09 0.83 -0.13 0.28 -1.00 0.00 0.00 179.01 179.08 1j0i h VAL 345 N 1.25 1.32 0.00 3.13 2.07 -1.25 -2.07 116.25 120.71 1j0i h VAL 345 Ca 0.33 -1.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 1j0i h VAL 345 Cb -0.10 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1j0i h VAL 345 CO -0.07 0.37 -0.44 0.11 0.02 0.00 0.00 177.57 177.57 1j0i h LYS 346 N 0.08 0.00 -0.03 1.57 1.79 -0.92 -0.22 116.57 118.84 1j0i h LYS 346 Ca 0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1j0i h LYS 346 Cb 0.64 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1j0i h LYS 346 CO 0.04 0.44 0.00 0.00 -1.08 0.00 0.00 179.45 178.85 1j0i h ALA 347 N 1.56 0.04 -0.58 3.86 0.00 -0.99 -1.63 119.26 121.52 1j0i h ALA 347 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1j0i h ALA 347 Cb 0.94 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1j0i h ALA 347 CO 0.06 -0.30 0.17 1.25 0.00 0.00 0.00 179.25 180.43 1j0i h LEU 348 N -0.23 0.86 -5.99 0.00 5.85 -1.20 -3.42 115.31 111.18 1j0i h LEU 348 Ca 0.01 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1j0i h LEU 348 Cb 0.31 -0.23 -0.19 0.00 0.37 0.00 0.00 40.66 40.92 1j0i h LEU 348 CO 0.00 0.85 -0.42 -0.75 -0.34 0.00 0.00 178.44 177.77 1j0i s LYS 349 N -5.38 0.74 0.58 1.25 2.20 -0.11 -5.04 119.74 113.97 1j0i s LYS 349 Ca -0.13 -0.04 0.31 0.00 -0.36 0.00 0.00 55.97 55.75 1j0i s LYS 349 Cb 0.13 0.14 1.43 0.00 -1.51 0.00 0.00 37.83 38.01 1j0i s LYS 349 CO 0.81 -1.13 1.80 -1.00 -0.36 0.00 0.00 175.35 175.47 1j0i h PRO 350 N 7.24 0.00 0.00 4.03 0.13 -1.47 -1.65 132.00 140.28 1j0i h PRO 350 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1j0i h PRO 350 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1j0i h PRO 350 CO 0.11 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.63 1j0i n ASP 351 N -3.82 0.07 -4.72 1.44 10.43 -1.26 -4.70 116.55 113.98 1j0i n ASP 351 Ca 0.15 0.51 -0.42 0.00 2.57 0.00 0.00 54.79 57.60 1j0i n ASP 351 Cb 0.93 -0.53 -0.03 0.00 1.84 0.00 0.00 41.12 43.33 1j0i n ASP 351 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1j0i s VAL 352 N -3.02 2.70 -0.32 2.53 1.01 -0.62 -4.75 120.40 117.94 1j0i s VAL 352 Ca 0.10 0.52 -0.25 0.00 0.00 0.00 0.00 61.98 62.35 1j0i s VAL 352 Cb 0.14 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1j0i s VAL 352 CO 0.41 0.05 0.88 -0.47 0.00 0.00 0.00 175.10 175.97 1j0i s TYR 353 N 0.95 3.18 -0.62 5.22 5.04 -0.03 -4.78 117.35 126.30 1j0i s TYR 353 Ca 0.68 0.91 -0.15 0.00 -2.44 0.00 0.00 57.07 56.07 1j0i s TYR 353 Cb -0.43 -3.39 0.16 0.00 0.35 0.00 0.00 41.96 38.65 1j0i s TYR 353 CO 0.33 -0.65 0.57 0.42 -1.34 0.00 0.00 175.55 174.88 1j0i s ILE 354 N 3.20 5.22 -0.26 3.14 1.01 -1.26 -0.75 121.20 131.50 1j0i s ILE 354 Ca 0.36 -1.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.09 1j0i s ILE 354 Cb -0.13 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 1j0i s ILE 354 CO 0.14 -0.91 0.10 -0.22 0.00 0.00 0.00 174.94 174.05 1j0i s LEU 355 N 1.12 3.62 -0.10 2.97 2.96 -0.57 -0.43 118.68 128.25 1j0i s LEU 355 Ca 0.08 -0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1j0i s LEU 355 Cb -0.24 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1j0i s LEU 355 CO -0.01 -0.06 0.16 -0.83 -1.32 0.00 0.00 176.35 174.30 1j0i s GLY 356 N 1.64 2.18 -0.61 7.98 0.00 -0.40 0.13 107.32 118.24 1j0i s GLY 356 Ca 0.06 -0.62 -0.26 0.00 0.00 0.00 0.00 44.72 43.90 1j0i s GLY 356 CO 0.05 -0.37 1.09 1.85 0.00 0.00 0.00 173.10 175.72 1j0i s GLU 357 N -1.12 3.33 -0.10 2.90 2.12 0.81 -1.69 118.70 124.95 1j0i s GLU 357 Ca 0.17 -0.19 -0.03 0.00 0.36 0.00 0.00 54.97 55.28 1j0i s GLU 357 Cb -0.12 -4.09 0.05 0.00 0.26 0.00 0.00 34.13 30.23 1j0i s GLU 357 CO 0.06 -1.72 0.13 0.42 -0.54 0.00 0.00 175.26 173.61 1j0i s ILE 358 N 4.62 -0.21 -0.21 -3.70 1.01 -1.26 -2.89 121.20 118.56 1j0i s ILE 358 Ca 0.34 0.25 0.16 0.00 0.00 0.00 0.00 60.65 61.40 1j0i s ILE 358 Cb -0.11 -0.34 0.11 0.00 0.01 0.00 0.00 42.46 42.13 1j0i s ILE 358 CO 0.19 0.06 1.46 -0.50 0.00 0.00 0.00 174.94 176.15 1j0i h TRP 359 N 8.38 0.00 -6.44 3.97 4.06 -1.93 -3.39 115.95 120.61 1j0i h TRP 359 Ca -0.14 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.33 1j0i h TRP 359 Cb 1.13 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.31 1j0i h TRP 359 CO 0.37 0.42 -0.09 -2.39 -3.56 0.00 0.00 178.44 173.18 1j0i n HIS 360 N -3.20 -2.10 -1.66 0.49 1.44 -1.26 -3.92 115.22 105.01 1j0i n HIS 360 Ca 0.02 -2.09 -0.55 0.00 -2.01 0.00 0.00 57.72 53.09 1j0i n HIS 360 Cb 0.70 -0.53 -0.07 0.00 0.12 0.00 0.00 29.99 30.22 1j0i n HIS 360 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1j0i n ASP 361 N -2.29 2.14 -0.36 4.39 4.64 -1.26 -4.88 116.55 118.93 1j0i n ASP 361 Ca 0.14 1.09 0.08 0.00 -1.38 0.00 0.00 54.79 54.72 1j0i n ASP 361 Cb 0.59 -1.17 0.18 0.00 -1.04 0.00 0.00 41.12 39.68 1j0i n ASP 361 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1j0i n ALA 362 N 4.31 2.99 -0.34 -1.67 0.00 -1.26 -4.82 120.51 119.72 1j0i n ALA 362 Ca 0.23 -2.96 0.22 0.00 0.00 0.00 0.00 53.44 50.93 1j0i n ALA 362 Cb 0.16 -0.38 0.47 0.00 0.00 0.00 0.00 19.45 19.69 1j0i n ALA 362 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1j0i h MET 363 N 0.53 0.42 0.00 0.00 -1.53 -1.92 0.39 114.93 112.81 1j0i h MET 363 Ca 0.00 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1j0i h MET 363 Cb 1.02 -0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.98 1j0i h MET 363 CO 0.01 0.28 -0.00 -1.35 0.14 0.00 0.00 176.91 175.99 1j0i h PRO 364 N 0.43 0.00 -0.02 0.39 0.11 -2.01 -2.15 132.00 128.75 1j0i h PRO 364 Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 1j0i h PRO 364 Cb 1.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.63 1j0i h PRO 364 CO -0.43 0.00 -0.01 0.91 -0.21 0.00 0.00 178.00 178.26 1j0i n TRP 365 N -3.25 0.00 -1.92 0.65 8.01 0.11 -4.55 117.44 116.49 1j0i n TRP 365 Ca -0.03 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.08 1j0i n TRP 365 Cb 0.08 0.00 0.11 0.00 -2.01 0.00 0.00 31.31 29.49 1j0i n TRP 365 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1j0i n LEU 366 N 0.92 3.51 -0.54 -0.99 4.77 -0.81 -1.19 117.00 122.67 1j0i n LEU 366 Ca 0.10 -4.11 0.08 0.00 -0.03 0.00 0.00 56.01 52.06 1j0i n LEU 366 Cb 0.43 -0.35 0.29 0.00 -2.33 0.00 0.00 43.42 41.46 1j0i n LEU 366 CO 0.11 1.64 0.72 0.54 -1.33 0.00 0.00 177.39 179.07 1j0i n ARG 367 N -0.81 1.70 0.00 3.23 1.74 -1.24 -4.90 116.66 116.38 1j0i n ARG 367 Ca 0.28 -1.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.30 1j0i n ARG 367 Cb 0.85 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 1j0i n ARG 367 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j0i n GLY 368 N 1.07 2.11 0.67 -0.13 0.00 -1.26 -4.59 105.19 103.05 1j0i n GLY 368 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1j0i n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j0i n ASP 369 N 0.00 2.30 0.00 1.61 5.75 -1.26 -4.69 116.55 120.26 1j0i n ASP 369 Ca 0.00 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1j0i n ASP 369 Cb 0.00 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1j0i n ASP 369 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j0i n GLN 370 N 0.53 0.00 -3.30 0.11 6.02 -1.26 -4.48 117.38 115.00 1j0i n GLN 370 Ca 0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.89 1j0i n GLN 370 Cb 0.50 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.76 1j0i n GLN 370 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1j0i s PHE 371 N 0.00 3.34 -0.13 1.08 0.08 -0.33 -4.73 117.98 117.29 1j0i s PHE 371 Ca 0.00 0.19 0.22 0.00 0.12 0.00 0.00 56.93 57.46 1j0i s PHE 371 Cb 0.00 -2.04 -0.18 0.00 -0.57 0.00 0.00 43.02 40.23 1j0i s PHE 371 CO 0.00 -0.05 0.73 -0.25 -0.10 0.00 0.00 175.22 175.55 1j0i n ASP 372 N -1.84 0.40 -3.68 1.36 8.00 0.43 -4.61 116.55 116.61 1j0i n ASP 372 Ca -0.02 0.16 0.03 0.00 0.71 0.00 0.00 54.79 55.66 1j0i n ASP 372 Cb 0.57 1.24 0.00 0.00 -0.02 0.00 0.00 41.12 42.91 1j0i n ASP 372 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j0i s ALA 373 N -3.41 -2.45 0.14 2.24 0.00 -1.16 -4.76 121.76 112.37 1j0i s ALA 373 Ca -0.05 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.57 1j0i s ALA 373 Cb 0.12 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1j0i s ALA 373 CO 0.85 -1.09 -0.08 0.14 0.00 0.00 0.00 175.76 175.58 1j0i s VAL 374 N -2.15 1.01 -0.27 0.00 -7.23 -1.26 -1.28 120.40 109.22 1j0i s VAL 374 Ca 0.19 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 1j0i s VAL 374 Cb 0.05 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.12 1j0i s VAL 374 CO -0.04 -0.74 1.66 -0.04 -0.31 0.00 0.00 175.10 175.62 1j0i s MET 375 N -3.79 3.62 -1.08 4.82 -1.94 -0.68 -3.45 119.30 116.81 1j0i s MET 375 Ca 0.16 1.52 -0.16 0.00 -1.71 0.00 0.00 55.69 55.50 1j0i s MET 375 Cb 0.04 -4.09 -0.07 0.00 2.01 0.00 0.00 34.83 32.71 1j0i s MET 375 CO -0.00 -1.50 2.13 -1.71 -0.01 0.00 0.00 175.02 173.92 1j0i n ASN 376 N 9.08 3.73 0.22 3.03 5.15 -0.56 -4.45 115.26 131.46 1j0i n ASN 376 Ca 0.20 -2.68 0.05 0.00 -0.60 0.00 0.00 54.58 51.55 1j0i n ASN 376 Cb 0.46 -1.33 0.49 0.00 -0.53 0.00 0.00 39.78 38.87 1j0i n ASN 376 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1j0i h TYR 377 N 6.85 0.00 -0.57 1.20 -1.99 -1.80 -2.54 116.97 118.12 1j0i h TYR 377 Ca 0.52 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.22 1j0i h TYR 377 Cb 0.57 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.27 1j0i h TYR 377 CO 1.45 0.23 0.24 -1.35 -0.00 0.00 0.00 178.16 178.74 1j0i h PRO 378 N 0.00 0.82 -0.52 4.88 0.11 -1.85 -0.60 132.00 134.84 1j0i h PRO 378 Ca -0.00 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1j0i h PRO 378 Cb 0.43 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1j0i h PRO 378 CO 0.03 0.66 0.28 0.35 -0.21 0.00 0.00 178.00 179.11 1j0i h PHE 379 N 0.82 0.72 -0.53 0.65 3.04 -1.83 -2.22 116.94 117.59 1j0i h PHE 379 Ca 0.20 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.18 1j0i h PHE 379 Cb 0.14 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.37 1j0i h PHE 379 CO 0.01 0.54 0.24 1.15 -2.02 0.00 0.00 178.31 178.23 1j0i h THR 380 N 0.69 0.90 0.43 4.41 2.02 -1.10 -1.43 112.91 118.84 1j0i h THR 380 Ca 0.18 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1j0i h THR 380 Cb 0.06 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1j0i h THR 380 CO -0.03 0.08 -0.28 -0.78 0.37 0.00 0.00 175.52 174.89 1j0i h ASP 381 N 0.46 -0.69 -0.51 4.18 3.58 -0.72 -1.22 116.42 121.50 1j0i h ASP 381 Ca 0.24 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.76 1j0i h ASP 381 Cb 0.20 0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 1j0i h ASP 381 CO -0.20 -0.43 0.30 1.23 -2.88 0.00 0.00 179.24 177.26 1j0i h GLY 382 N -0.68 0.72 1.25 -0.78 0.00 -1.23 -1.13 103.07 101.22 1j0i h GLY 382 Ca -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1j0i h GLY 382 CO 0.04 0.18 0.22 -2.08 0.00 0.00 0.00 176.54 174.90 1j0i h VAL 383 N 0.59 1.23 -0.04 4.60 2.07 -1.18 -2.05 116.25 121.47 1j0i h VAL 383 Ca 0.21 -0.77 -0.22 0.00 0.82 0.00 0.00 66.70 66.74 1j0i h VAL 383 Cb 0.04 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1j0i h VAL 383 CO -0.10 0.30 -0.87 -0.07 0.02 0.00 0.00 177.57 176.84 1j0i h LEU 384 N 0.93 0.59 -1.53 2.57 3.38 -1.00 -1.48 115.31 118.78 1j0i h LEU 384 Ca 0.21 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1j0i h LEU 384 Cb 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1j0i h LEU 384 CO -0.01 1.22 -0.25 0.03 0.09 0.00 0.00 178.44 179.52 1j0i h ARG 385 N 0.29 0.00 0.00 1.13 3.08 -0.98 0.12 114.38 118.02 1j0i h ARG 385 Ca -0.07 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.82 1j0i h ARG 385 Cb 1.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.52 1j0i h ARG 385 CO 0.16 0.25 -1.08 0.34 -1.07 0.00 0.00 179.97 178.56 1j0i n PHE 386 N -3.96 0.94 0.08 3.04 7.35 -0.79 -0.15 117.46 123.97 1j0i n PHE 386 Ca -0.02 0.41 -0.17 0.00 -0.76 0.00 0.00 57.45 56.91 1j0i n PHE 386 Cb 0.32 -0.99 -0.14 0.00 0.35 0.00 0.00 39.48 39.02 1j0i n PHE 386 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1j0i h PHE 387 N -1.00 0.51 0.00 -5.13 0.04 -1.35 -3.25 116.94 106.76 1j0i h PHE 387 Ca -0.25 -0.37 -0.07 0.00 2.80 0.00 0.00 57.97 60.08 1j0i h PHE 387 Cb 1.06 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 1j0i h PHE 387 CO -0.02 1.37 -0.71 0.00 -0.60 0.00 0.00 178.31 178.36 1j0i h ALA 388 N 0.48 0.08 0.00 2.45 0.00 -1.19 -3.42 119.26 117.67 1j0i h ALA 388 Ca -0.22 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 53.99 1j0i h ALA 388 Cb 2.02 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 20.36 1j0i h ALA 388 CO 0.18 0.54 -0.89 0.87 0.00 0.00 0.00 179.25 179.95 1j0i h LYS 389 N -1.00 0.00 -5.96 0.00 1.57 -1.01 -3.41 116.57 106.75 1j0i h LYS 389 Ca -0.11 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.24 1j0i h LYS 389 Cb 0.73 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.08 1j0i h LYS 389 CO -0.06 0.00 -0.71 0.39 -0.57 0.00 0.00 179.45 178.50 1j0i n GLU 390 N -2.73 -6.37 0.00 3.15 1.02 -0.74 -4.87 120.64 110.10 1j0i n GLU 390 Ca 0.00 0.71 0.14 0.00 -0.02 0.00 0.00 57.16 57.99 1j0i n GLU 390 Cb 0.55 -5.66 0.50 0.00 -0.02 0.00 0.00 31.44 26.82 1j0i n GLU 390 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1j0i n GLU 391 N -4.74 1.12 -3.91 3.49 1.02 0.78 -4.89 120.64 113.52 1j0i n GLU 391 Ca 0.02 -0.59 -0.09 0.00 -0.02 0.00 0.00 57.16 56.47 1j0i n GLU 391 Cb 0.55 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.39 1j0i n GLU 391 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1j0i s ILE 392 N -2.29 0.13 0.84 -3.67 -4.36 -1.19 -5.03 121.20 105.64 1j0i s ILE 392 Ca 0.31 -1.09 -0.13 0.00 -0.26 0.00 0.00 60.65 59.49 1j0i s ILE 392 Cb 0.20 -0.96 0.11 0.00 1.25 0.00 0.00 42.46 43.05 1j0i s ILE 392 CO 0.44 -0.60 1.21 -0.94 0.24 0.00 0.00 174.94 175.29 1j0i s SER 393 N -2.21 4.20 0.44 4.36 1.04 -1.26 -4.71 113.70 115.56 1j0i s SER 393 Ca -0.04 0.68 0.16 0.00 0.48 0.00 0.00 55.95 57.24 1j0i s SER 393 Cb -0.00 -1.08 1.02 0.00 0.10 0.00 0.00 66.02 66.05 1j0i s SER 393 CO -0.05 -2.09 1.97 0.00 0.98 0.00 0.00 173.24 174.05 1j0i h ALA 394 N -1.19 1.54 -0.08 5.32 0.00 -1.35 -0.43 119.26 123.06 1j0i h ALA 394 Ca -0.46 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1j0i h ALA 394 Cb 1.31 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1j0i h ALA 394 CO 0.60 0.27 -0.10 -0.09 0.00 0.00 0.00 179.25 179.94 1j0i h ARG 395 N 0.00 0.22 -0.10 0.00 2.43 -1.71 -1.14 114.38 114.07 1j0i h ARG 395 Ca -0.00 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 58.95 1j0i h ARG 395 Cb 0.41 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1j0i h ARG 395 CO 0.03 0.66 -0.39 1.96 -1.51 0.00 0.00 179.97 180.72 1j0i h GLN 396 N -0.21 0.21 -0.22 0.20 4.20 -1.78 -1.19 115.11 116.31 1j0i h GLN 396 Ca 0.01 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 1j0i h GLN 396 Cb 0.62 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1j0i h GLN 396 CO 0.02 0.57 -0.23 0.35 -0.67 0.00 0.00 178.83 178.87 1j0i h PHE 397 N 0.18 0.66 -1.00 2.96 3.57 -1.06 -1.11 116.94 121.14 1j0i h PHE 397 Ca 0.02 -0.20 0.04 0.00 3.53 0.00 0.00 57.97 61.36 1j0i h PHE 397 Cb 0.77 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.31 1j0i h PHE 397 CO 0.01 0.89 0.65 0.00 -2.23 0.00 0.00 178.31 177.64 1j0i h ALA 398 N 0.66 1.35 -0.47 2.41 0.00 -0.97 -1.27 119.26 120.96 1j0i h ALA 398 Ca 0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1j0i h ALA 398 Cb 0.79 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1j0i h ALA 398 CO 0.06 0.52 -0.23 -0.91 0.00 0.00 0.00 179.25 178.69 1j0i h ASN 399 N 1.24 1.01 -0.49 0.00 2.35 -1.02 -1.86 115.58 116.82 1j0i h ASN 399 Ca 0.41 -0.40 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1j0i h ASN 399 Cb 0.04 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1j0i h ASN 399 CO -0.14 1.19 -0.04 -0.61 -1.65 0.00 0.00 177.43 176.19 1j0i h GLN 400 N 0.83 0.90 -0.27 0.81 5.75 -0.71 0.18 115.11 122.61 1j0i h GLN 400 Ca 0.10 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 1j0i h GLN 400 Cb 0.81 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 1j0i h GLN 400 CO 0.07 0.95 0.10 0.52 -2.65 0.00 0.00 178.83 177.82 1j0i h MET 401 N 0.75 0.40 -0.45 1.69 2.86 -1.23 0.21 114.93 119.16 1j0i h MET 401 Ca 0.13 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1j0i h MET 401 Cb 0.57 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1j0i h MET 401 CO 0.03 0.44 0.17 0.52 1.06 0.00 0.00 176.91 179.13 1j0i h MET 402 N 0.28 0.65 0.94 1.72 2.86 -1.19 -0.50 114.93 119.68 1j0i h MET 402 Ca 0.09 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1j0i h MET 402 Cb 0.19 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.74 1j0i h MET 402 CO -0.01 0.55 -0.45 1.25 1.06 0.00 0.00 176.91 179.31 1j0i h HIS 403 N 0.65 -1.17 0.00 -0.22 6.17 0.17 -0.72 115.15 120.03 1j0i h HIS 403 Ca 0.16 -0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.17 1j0i h HIS 403 Cb 0.15 0.39 -0.01 0.00 2.52 0.00 0.00 27.41 30.46 1j0i h HIS 403 CO 0.01 -0.73 -0.19 -0.39 0.71 0.00 0.00 177.93 177.34 1j0i h VAL 404 N -1.31 0.73 -0.00 5.26 -1.51 -0.88 -3.01 116.25 115.53 1j0i h VAL 404 Ca -0.13 -0.80 -0.08 0.00 -1.23 0.00 0.00 66.70 64.46 1j0i h VAL 404 Cb 0.97 1.49 0.01 0.00 -2.13 0.00 0.00 31.29 31.62 1j0i h VAL 404 CO 0.21 0.19 -0.33 -0.07 -1.23 0.00 0.00 177.57 176.34 1j0i h LEU 405 N 0.00 0.29 0.00 4.19 3.38 -1.02 -3.22 115.31 118.94 1j0i h LEU 405 Ca -0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1j0i h LEU 405 Cb 0.48 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1j0i h LEU 405 CO 0.03 1.03 0.00 1.41 0.09 0.00 0.00 178.44 180.99 1j0i n HIS 406 N -4.44 0.00 1.15 1.13 8.25 -0.28 -2.50 115.22 118.53 1j0i n HIS 406 Ca -0.10 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.49 1j0i n HIS 406 Cb 0.54 0.00 0.40 0.00 1.12 0.00 0.00 29.99 32.05 1j0i n HIS 406 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1j0i n SER 407 N -0.92 0.59 -4.35 0.41 3.41 -1.15 -4.89 113.62 106.73 1j0i n SER 407 Ca 0.13 -0.42 -0.18 0.00 -0.26 0.00 0.00 58.87 58.15 1j0i n SER 407 Cb 0.06 0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 63.98 1j0i n SER 407 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1j0i s TYR 408 N -2.75 1.68 0.58 7.33 2.02 -1.04 -4.47 117.35 120.70 1j0i s TYR 408 Ca 0.19 -0.65 -0.18 0.00 -0.37 0.00 0.00 57.07 56.05 1j0i s TYR 408 Cb 0.19 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 1j0i s TYR 408 CO 0.58 0.27 1.15 -2.14 -1.57 0.00 0.00 175.55 173.85 1j0i s PRO 409 N -3.69 3.11 0.26 -1.71 0.02 -1.26 -4.84 135.00 126.88 1j0i s PRO 409 Ca 0.24 1.65 -0.02 0.00 0.02 0.00 0.00 61.00 62.89 1j0i s PRO 409 Cb 0.01 -1.97 0.50 0.00 0.02 0.00 0.00 34.50 33.06 1j0i s PRO 409 CO 0.07 -1.06 1.78 -0.91 -0.33 0.00 0.00 177.00 176.55 1j0i h ASN 410 N 0.87 0.59 0.87 2.53 4.21 -1.92 -0.89 115.58 121.85 1j0i h ASN 410 Ca -0.50 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.08 1j0i h ASN 410 Cb 1.27 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 38.45 1j0i h ASN 410 CO 0.56 0.28 -0.05 -0.55 -1.29 0.00 0.00 177.43 176.37 1j0i h ASN 411 N 0.69 0.00 -0.04 5.81 -1.07 -1.92 -2.05 115.58 117.01 1j0i h ASN 411 Ca 0.45 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.69 1j0i h ASN 411 Cb 0.57 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.83 1j0i h ASN 411 CO -0.33 0.05 -0.46 0.58 0.07 0.00 0.00 177.43 177.35 1j0i h VAL 412 N 0.00 1.43 0.00 6.14 2.07 -1.54 -3.23 116.25 121.12 1j0i h VAL 412 Ca -0.00 -1.92 -0.03 0.00 0.82 0.00 0.00 66.70 65.56 1j0i h VAL 412 Cb 0.51 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1j0i h VAL 412 CO 0.01 0.56 -0.16 0.78 0.02 0.00 0.00 177.57 178.77 1j0i h ASN 413 N -0.13 0.00 0.57 0.57 2.35 -1.09 -2.57 115.58 115.28 1j0i h ASN 413 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1j0i h ASN 413 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1j0i h ASN 413 CO 0.09 0.16 0.00 -0.62 -1.65 0.00 0.00 177.43 175.41 1j0i n GLU 414 N -4.00 0.06 -0.04 0.81 1.02 -0.80 -2.70 120.64 114.99 1j0i n GLU 414 Ca -0.02 0.17 0.02 0.00 -0.02 0.00 0.00 57.16 57.31 1j0i n GLU 414 Cb 0.24 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.19 1j0i n GLU 414 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j0i n ALA 415 N -1.46 1.88 -1.83 0.62 0.00 -0.98 -4.05 120.51 114.70 1j0i n ALA 415 Ca 0.05 -1.21 -0.41 0.00 0.00 0.00 0.00 53.44 51.87 1j0i n ALA 415 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 1j0i n ALA 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0i s ALA 416 N -1.12 3.56 -1.15 0.00 0.00 -1.10 -4.47 121.76 117.48 1j0i s ALA 416 Ca 0.06 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.15 1j0i s ALA 416 Cb 0.05 -3.52 0.12 0.00 0.00 0.00 0.00 23.12 19.77 1j0i s ALA 416 CO 0.01 -0.71 1.46 0.12 0.00 0.00 0.00 175.76 176.64 1j0i s PHE 417 N -0.56 3.10 -0.58 0.00 5.36 -1.22 0.26 117.98 124.34 1j0i s PHE 417 Ca 0.54 -1.68 -0.26 0.00 -0.96 0.00 0.00 56.93 54.57 1j0i s PHE 417 Cb -0.41 -4.48 0.04 0.00 -0.34 0.00 0.00 43.02 37.83 1j0i s PHE 417 CO 0.48 -1.60 1.10 -0.80 -1.46 0.00 0.00 175.22 172.94 1j0i s ASN 418 N 3.65 6.39 0.27 6.13 0.01 -1.21 -1.50 114.94 128.68 1j0i s ASN 418 Ca 0.44 -0.12 0.09 0.00 -0.71 0.00 0.00 52.86 52.57 1j0i s ASN 418 Cb -0.01 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 1j0i s ASN 418 CO -0.01 -1.40 0.02 -1.48 -1.51 0.00 0.00 177.10 172.72 1j0i s LEU 419 N 4.59 3.25 -0.02 0.60 2.34 -1.26 -1.60 118.68 126.59 1j0i s LEU 419 Ca 0.37 -0.61 0.15 0.00 0.06 0.00 0.00 54.13 54.10 1j0i s LEU 419 Cb -0.10 -1.77 -0.23 0.00 -0.56 0.00 0.00 46.19 43.53 1j0i s LEU 419 CO 0.22 -0.01 0.38 0.18 -1.06 0.00 0.00 176.35 176.06 1j0i n LEU 420 N -0.93 0.10 -3.84 1.48 4.77 -1.26 -4.14 117.00 113.19 1j0i n LEU 420 Ca -0.06 -0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 55.83 1j0i n LEU 420 Cb 0.59 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 1j0i n LEU 420 CO 0.41 0.03 0.89 -0.83 -1.33 0.00 0.00 177.39 176.55 1j0i s GLY 421 N -3.58 -0.08 0.00 -0.72 0.00 -1.26 -4.84 107.32 96.84 1j0i s GLY 421 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1j0i s GLY 421 CO 0.64 2.23 0.00 -1.14 0.00 0.00 0.00 173.10 174.83 1j0i n SER 422 N -0.94 0.00 -0.01 1.64 3.41 -1.26 -4.57 113.62 111.89 1j0i n SER 422 Ca -0.03 -0.63 0.10 0.00 -0.26 0.00 0.00 58.87 58.04 1j0i n SER 422 Cb 0.60 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 65.12 1j0i n SER 422 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j0i n HIS 423 N 0.00 0.00 -0.44 7.33 1.44 -1.26 -2.99 115.22 119.30 1j0i n HIS 423 Ca 0.00 -0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 1j0i n HIS 423 Cb 0.00 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 1j0i n HIS 423 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1j0i n ASP 424 N -0.79 2.07 -4.23 4.39 8.00 -1.26 -4.55 116.55 120.19 1j0i n ASP 424 Ca 0.14 -2.39 -0.15 0.00 0.71 0.00 0.00 54.79 53.10 1j0i n ASP 424 Cb 0.07 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 1j0i n ASP 424 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1j0i s THR 425 N -1.68 0.33 0.69 -3.53 -4.23 -1.16 -4.73 115.64 101.33 1j0i s THR 425 Ca 0.12 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.52 1j0i s THR 425 Cb 0.11 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1j0i s THR 425 CO 0.01 0.00 1.06 -0.44 -0.54 0.00 0.00 174.62 174.71 1j0i s SER 426 N -3.27 5.41 0.23 3.99 0.01 -1.26 -4.32 113.70 114.49 1j0i s SER 426 Ca 0.38 1.63 -0.30 0.00 1.31 0.00 0.00 55.95 58.97 1j0i s SER 426 Cb 0.07 -2.50 -0.09 0.00 0.21 0.00 0.00 66.02 63.71 1j0i s SER 426 CO 0.14 -1.42 1.36 -0.13 0.41 0.00 0.00 173.24 173.60 1j0i s ARG 427 N -4.99 4.34 0.40 12.44 1.81 -0.48 -4.72 118.95 127.75 1j0i s ARG 427 Ca 0.58 2.16 0.10 0.00 -1.72 0.00 0.00 55.73 56.86 1j0i s ARG 427 Cb -0.14 -3.15 0.89 0.00 -0.45 0.00 0.00 34.95 32.09 1j0i s ARG 427 CO 0.54 -0.32 1.97 -0.84 -0.68 0.00 0.00 175.30 175.97 1j0i h ILE 428 N 3.62 0.95 -0.52 1.52 3.07 -1.88 0.11 117.51 124.38 1j0i h ILE 428 Ca -0.45 -0.20 -0.07 0.00 1.55 0.00 0.00 64.86 65.69 1j0i h ILE 428 Cb 1.22 0.32 -0.02 0.00 -0.27 0.00 0.00 36.82 38.07 1j0i h ILE 428 CO 0.77 0.11 0.06 0.25 -1.05 0.00 0.00 178.15 178.28 1j0i h LEU 429 N 0.58 0.80 -0.31 0.16 5.85 -1.91 0.52 115.31 121.00 1j0i h LEU 429 Ca 0.30 -0.18 -0.20 0.00 0.84 0.00 0.00 57.88 58.64 1j0i h LEU 429 Cb 0.41 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1j0i h LEU 429 CO -0.10 0.83 -0.71 0.74 -0.34 0.00 0.00 178.44 178.87 1j0i h THR 430 N 0.80 1.32 0.00 1.05 2.02 -1.20 0.12 112.91 117.02 1j0i h THR 430 Ca 0.16 -1.99 -0.02 0.00 0.77 0.00 0.00 66.41 65.34 1j0i h THR 430 Cb 0.40 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1j0i h THR 430 CO 0.01 0.62 -0.07 0.58 0.37 0.00 0.00 175.52 177.02 1j0i h VAL 431 N 0.44 0.23 -0.00 3.16 2.07 -0.47 -0.32 116.25 121.35 1j0i h VAL 431 Ca -0.03 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1j0i h VAL 431 Cb 1.30 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1j0i h VAL 431 CO 0.14 0.07 -0.28 0.00 0.02 0.00 0.00 177.57 177.52 1j0i n GLY 433 N 1.44 0.37 2.07 0.00 0.00 -0.13 -3.45 105.19 105.49 1j0i n GLY 433 Ca 0.08 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1j0i n GLY 433 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0i n GLY 434 N -1.56 1.34 3.55 -0.02 0.00 0.34 -4.99 105.19 103.85 1j0i n GLY 434 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1j0i n GLY 434 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j0i s ASP 435 N -3.15 6.18 0.56 1.61 -1.08 -1.22 -4.85 116.67 114.72 1j0i s ASP 435 Ca 0.00 -0.33 0.25 0.00 -0.52 0.00 0.00 52.55 51.95 1j0i s ASP 435 Cb 0.00 -2.56 1.63 0.00 -1.46 0.00 0.00 42.92 40.53 1j0i s ASP 435 CO 0.00 -1.80 2.21 -0.29 0.52 0.00 0.00 175.17 175.81 1j0i h ILE 436 N 6.08 0.68 -0.58 4.11 6.09 -1.92 -2.09 117.51 129.88 1j0i h ILE 436 Ca -0.27 -0.04 -0.03 0.00 -1.37 0.00 0.00 64.86 63.15 1j0i h ILE 436 Cb 1.05 1.02 -0.03 0.00 0.47 0.00 0.00 36.82 39.34 1j0i h ILE 436 CO 1.26 0.01 0.26 0.03 -3.07 0.00 0.00 178.15 176.64 1j0i h ARG 437 N 0.00 0.85 -0.45 2.19 3.08 -1.96 -2.08 114.38 116.00 1j0i h ARG 437 Ca -0.00 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1j0i h ARG 437 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1j0i h ARG 437 CO 0.00 0.71 0.02 0.87 -1.07 0.00 0.00 179.97 180.50 1j0i h LYS 438 N 0.80 0.73 0.00 0.04 1.57 -1.71 -2.37 116.57 115.62 1j0i h LYS 438 Ca 0.20 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1j0i h LYS 438 Cb 0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1j0i h LYS 438 CO -0.02 0.73 -0.30 0.28 -0.57 0.00 0.00 179.45 179.56 1j0i h VAL 439 N 0.69 1.08 -0.28 0.50 2.07 -1.32 -1.93 116.25 117.06 1j0i h VAL 439 Ca 0.14 -1.08 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 1j0i h VAL 439 Cb 0.40 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1j0i h VAL 439 CO 0.01 0.30 -0.40 0.11 0.02 0.00 0.00 177.57 177.60 1j0i h LYS 440 N 0.00 0.66 -0.58 1.57 1.57 -0.87 -2.46 116.57 116.46 1j0i h LYS 440 Ca -0.00 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.36 1j0i h LYS 440 Cb 0.58 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1j0i h LYS 440 CO 0.04 0.95 0.08 -0.07 -0.57 0.00 0.00 179.45 179.88 1j0i h LEU 441 N 0.54 0.91 0.11 2.94 3.38 -1.12 0.36 115.31 122.43 1j0i h LEU 441 Ca 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1j0i h LEU 441 Cb 0.93 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1j0i h LEU 441 CO 0.08 0.92 -0.05 -0.07 0.09 0.00 0.00 178.44 179.41 1j0i h LEU 442 N 0.90 -0.13 -0.94 1.67 3.38 -1.16 -1.11 115.31 117.92 1j0i h LEU 442 Ca 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1j0i h LEU 442 Cb 0.42 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1j0i h LEU 442 CO 0.01 -0.08 0.49 -0.26 0.09 0.00 0.00 178.44 178.69 1j0i h PHE 443 N -0.17 1.21 0.11 1.13 -1.00 -1.27 0.11 116.94 117.06 1j0i h PHE 443 Ca -0.02 -0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.75 1j0i h PHE 443 Cb 0.13 -0.39 -0.03 0.00 3.61 0.00 0.00 35.95 39.27 1j0i h PHE 443 CO -0.07 0.83 -0.20 1.25 -1.61 0.00 0.00 178.31 178.51 1j0i h LEU 444 N 1.23 -0.56 -0.64 1.54 5.85 -0.55 0.12 115.31 122.31 1j0i h LEU 444 Ca 0.31 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 59.00 1j0i h LEU 444 Cb 0.02 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1j0i h LEU 444 CO -0.05 -0.28 -0.01 0.15 -0.34 0.00 0.00 178.44 177.90 1j0i h PHE 445 N -0.38 1.15 0.08 1.25 3.57 -0.99 -2.67 116.94 118.95 1j0i h PHE 445 Ca 0.03 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 1j0i h PHE 445 Cb 0.40 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1j0i h PHE 445 CO -0.20 1.02 -0.04 0.37 -2.23 0.00 0.00 178.31 177.23 1j0i h GLN 446 N 0.96 -0.10 0.00 1.11 4.15 -0.65 -2.16 115.11 118.42 1j0i h GLN 446 Ca 0.17 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1j0i h GLN 446 Cb 0.57 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1j0i h GLN 446 CO 0.03 0.04 0.00 1.28 -1.93 0.00 0.00 178.83 178.25 1j0i n LEU 447 N -5.08 0.00 -0.33 -2.39 4.77 0.40 -1.90 117.00 112.46 1j0i n LEU 447 Ca -0.08 0.08 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1j0i n LEU 447 Cb 0.12 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1j0i n LEU 447 CO 0.33 -0.02 0.33 0.35 -1.33 0.00 0.00 177.39 177.05 1j0i n THR 448 N -1.08 0.00 -3.39 -5.08 -2.24 -1.01 -4.63 114.28 96.85 1j0i n THR 448 Ca 0.16 -0.46 -0.38 0.00 -2.27 0.00 0.00 64.05 61.10 1j0i n THR 448 Cb 0.11 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.45 1j0i n THR 448 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1j0i s PHE 449 N -1.04 3.68 0.43 4.78 5.36 -0.80 -4.66 117.98 125.73 1j0i s PHE 449 Ca 0.10 1.02 -0.25 0.00 -0.96 0.00 0.00 56.93 56.84 1j0i s PHE 449 Cb 0.08 -2.42 -0.08 0.00 -0.34 0.00 0.00 43.02 40.26 1j0i s PHE 449 CO 0.17 0.48 1.35 0.99 -1.46 0.00 0.00 175.22 176.75 1j0i s THR 450 N -0.54 2.39 -1.77 0.12 2.01 -1.18 -4.67 115.64 112.00 1j0i s THR 450 Ca 0.26 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.60 1j0i s THR 450 Cb -0.17 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1j0i s THR 450 CO 0.14 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 1j0i n GLY 451 N 0.63 0.68 2.81 4.40 0.00 -1.08 -4.82 105.19 107.81 1j0i n GLY 451 Ca 0.05 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 1j0i n GLY 451 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j0i n SER 452 N 0.00 3.27 -4.72 1.61 2.88 0.14 -4.69 113.62 112.11 1j0i n SER 452 Ca 0.00 -3.26 -0.35 0.00 -1.33 0.00 0.00 58.87 53.92 1j0i n SER 452 Cb 0.00 -0.76 0.09 0.00 -0.75 0.00 0.00 64.21 62.80 1j0i n SER 452 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1j0i s PRO 453 N -1.70 2.15 -0.00 -1.46 0.04 -1.25 -3.34 135.00 129.43 1j0i s PRO 453 Ca 0.28 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.30 1j0i s PRO 453 Cb -0.00 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 1j0i s PRO 453 CO -0.13 -1.87 -0.11 0.00 0.04 0.00 0.00 177.00 174.93 1j0i s ILE 455 N -0.34 3.35 -0.20 0.00 1.01 -0.13 -4.09 121.20 120.80 1j0i s ILE 455 Ca 0.03 -0.58 -0.24 0.00 0.00 0.00 0.00 60.65 59.86 1j0i s ILE 455 Cb -0.05 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 1j0i s ILE 455 CO -0.00 0.55 0.77 -0.47 0.00 0.00 0.00 174.94 175.80 1j0i s TYR 456 N -0.21 3.37 -0.11 3.97 5.04 -1.26 0.11 117.35 128.26 1j0i s TYR 456 Ca 0.02 1.13 -0.38 0.00 -2.44 0.00 0.00 57.07 55.39 1j0i s TYR 456 Cb -0.13 -2.96 -0.18 0.00 0.35 0.00 0.00 41.96 39.03 1j0i s TYR 456 CO 0.03 -0.27 1.09 2.48 -1.34 0.00 0.00 175.55 177.54 1j0i n TYR 457 N 5.41 0.84 0.00 4.97 4.11 -0.66 -1.12 117.16 130.70 1j0i n TYR 457 Ca 0.03 0.98 0.00 0.00 -0.00 0.00 0.00 57.90 58.92 1j0i n TYR 457 Cb 0.49 -1.93 0.00 0.00 -0.00 0.00 0.00 39.34 37.89 1j0i n TYR 457 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1j0i n GLY 458 N 1.93 3.09 0.24 -7.48 0.00 -1.26 -4.88 105.19 96.83 1j0i n GLY 458 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 1j0i n GLY 458 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j0i h ASP 459 N 0.00 0.00 0.78 1.61 3.32 -1.45 -1.67 116.42 119.01 1j0i h ASP 459 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j0i h ASP 459 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1j0i h ASP 459 CO 0.00 0.20 0.00 -1.84 -1.72 0.00 0.00 179.24 175.88 1j0i n GLU 460 N -3.72 0.20 -0.01 3.56 0.00 -1.26 -2.52 120.64 116.90 1j0i n GLU 460 Ca -0.01 0.41 0.04 0.00 0.00 0.00 0.00 57.16 57.59 1j0i n GLU 460 Cb 0.31 -1.87 0.04 0.00 0.00 0.00 0.00 31.44 29.92 1j0i n GLU 460 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1j0i n ILE 461 N -2.24 0.04 -2.03 3.84 -5.35 -0.68 -2.26 119.36 110.68 1j0i n ILE 461 Ca 0.02 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1j0i n ILE 461 Cb 0.24 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 1j0i n ILE 461 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j0i n GLY 462 N 0.44 0.71 3.75 3.28 0.00 -0.87 -4.16 105.19 108.35 1j0i n GLY 462 Ca 0.05 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1j0i n GLY 462 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1j0i s MET 463 N -4.11 2.26 0.47 1.61 -1.94 -0.94 -4.98 119.30 111.66 1j0i s MET 463 Ca 0.00 1.37 0.04 0.00 -1.71 0.00 0.00 55.69 55.39 1j0i s MET 463 Cb 0.00 -1.88 -0.04 0.00 2.01 0.00 0.00 34.83 34.92 1j0i s MET 463 CO 0.00 -1.67 0.03 0.95 -0.01 0.00 0.00 175.02 174.33 1j0i s THR 464 N -2.56 1.59 0.00 2.05 -4.23 -1.26 -4.51 115.64 106.73 1j0i s THR 464 Ca 0.66 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1j0i s THR 464 Cb -0.21 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1j0i s THR 464 CO 0.50 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.19 1j0i n GLY 465 N -1.16 4.64 0.00 3.99 0.00 -1.26 -4.77 105.19 106.62 1j0i n GLY 465 Ca -0.12 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1j0i n GLY 465 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0i n GLY 466 N -1.88 -0.33 3.73 -0.02 0.00 -1.26 -1.38 105.19 104.05 1j0i n GLY 466 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 1j0i n GLY 466 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j0i s ASN 467 N -1.00 3.69 -0.02 1.61 3.84 -1.26 -1.64 114.94 120.15 1j0i s ASN 467 Ca 0.00 1.57 -0.14 0.00 0.21 0.00 0.00 52.86 54.50 1j0i s ASN 467 Cb 0.00 -2.25 -0.07 0.00 -0.55 0.00 0.00 41.25 38.38 1j0i s ASN 467 CO 0.00 -2.51 0.39 -0.67 -2.79 0.00 0.00 177.10 171.52 1j0i n ASP 468 N -3.81 0.05 -0.38 -4.21 4.64 -1.26 -2.08 116.55 109.50 1j0i n ASP 468 Ca 0.07 0.40 0.13 0.00 -1.38 0.00 0.00 54.79 54.01 1j0i n ASP 468 Cb 0.55 -0.31 0.32 0.00 -1.04 0.00 0.00 41.12 40.63 1j0i n ASP 468 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1j0i n PRO 469 N 0.63 1.16 -0.19 -0.67 -0.04 -1.26 -4.90 135.00 129.72 1j0i n PRO 469 Ca 0.07 -0.76 0.21 0.00 -0.04 0.00 0.00 63.50 62.98 1j0i n PRO 469 Cb 0.02 -1.48 0.58 0.00 -0.04 0.00 0.00 33.50 32.58 1j0i n PRO 469 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1j0i h GLU 470 N 1.87 0.26 0.00 0.54 5.08 -1.58 0.22 114.58 120.97 1j0i h GLU 470 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1j0i h GLU 470 Cb 0.58 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1j0i h GLU 470 CO 0.00 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.18 1j0i n ARG 472 N -1.36 2.66 -1.29 0.00 1.74 0.77 -4.94 116.66 114.24 1j0i n ARG 472 Ca 0.09 -3.29 -0.30 0.00 -0.77 0.00 0.00 57.85 53.58 1j0i n ARG 472 Cb 0.22 -2.27 0.12 0.00 -1.02 0.00 0.00 32.46 29.51 1j0i n ARG 472 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1j0i s LYS 473 N -3.74 1.50 0.47 5.56 1.02 -1.24 -4.81 119.74 118.51 1j0i s LYS 473 Ca 0.63 0.79 -0.23 0.00 0.02 0.00 0.00 55.97 57.19 1j0i s LYS 473 Cb 0.50 -1.84 -0.07 0.00 -0.52 0.00 0.00 37.83 35.90 1j0i s LYS 473 CO 0.01 -2.07 1.17 0.00 -0.92 0.00 0.00 175.35 173.55 1j0i s MET 475 N -2.76 4.22 -0.39 0.00 1.75 0.29 -4.90 119.30 117.53 1j0i s MET 475 Ca 0.65 2.40 -0.21 0.00 -1.25 0.00 0.00 55.69 57.28 1j0i s MET 475 Cb -0.29 -3.02 0.01 0.00 2.84 0.00 0.00 34.83 34.37 1j0i s MET 475 CO 0.35 -0.38 0.69 0.08 -0.65 0.00 0.00 175.02 175.10 1j0i s VAL 476 N -1.00 4.81 -0.12 10.11 1.01 -1.26 -4.93 120.40 129.02 1j0i s VAL 476 Ca 0.52 0.52 0.20 0.00 0.00 0.00 0.00 61.98 63.22 1j0i s VAL 476 Cb -0.43 -4.16 -0.28 0.00 0.00 0.00 0.00 36.38 31.50 1j0i s VAL 476 CO 0.57 -0.45 0.31 0.79 0.00 0.00 0.00 175.10 176.32 1j0i n TRP 477 N 6.26 0.07 -2.21 5.22 7.02 -1.26 -4.88 117.44 127.66 1j0i n TRP 477 Ca -0.00 0.02 -0.43 0.00 -1.02 0.00 0.00 57.50 56.07 1j0i n TRP 477 Cb 0.48 -0.78 -0.02 0.00 -2.42 0.00 0.00 31.31 28.57 1j0i n TRP 477 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1j0i s ASP 478 N -5.08 6.32 0.66 -0.99 -1.08 -1.26 -4.88 116.67 110.37 1j0i s ASP 478 Ca -0.09 1.26 0.27 0.00 -0.52 0.00 0.00 52.55 53.47 1j0i s ASP 478 Cb 0.10 -2.53 1.44 0.00 -1.46 0.00 0.00 42.92 40.47 1j0i s ASP 478 CO 0.86 -1.37 1.81 1.55 0.52 0.00 0.00 175.17 178.55 1j0i h PRO 479 N 10.90 0.00 0.00 4.34 0.13 -2.00 -0.74 132.00 144.62 1j0i h PRO 479 Ca -0.31 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.77 1j0i h PRO 479 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1j0i h PRO 479 CO 1.04 0.00 -0.25 0.52 -0.23 0.00 0.00 178.00 179.08 1j0i h MET 480 N 0.00 0.00 -0.36 0.86 2.86 -2.00 -2.91 114.93 113.38 1j0i h MET 480 Ca 0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 1j0i h MET 480 Cb 0.83 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.36 1j0i h MET 480 CO -0.00 0.25 -0.15 1.04 1.06 0.00 0.00 176.91 179.11 1j0i n GLN 481 N -3.57 1.94 -0.07 1.72 3.00 -0.29 -4.71 117.38 115.40 1j0i n GLN 481 Ca -0.01 -3.28 -0.09 0.00 -0.01 0.00 0.00 57.00 53.62 1j0i n GLN 481 Cb 0.39 -1.84 -0.09 0.00 0.00 0.00 0.00 30.24 28.70 1j0i n GLN 481 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1j0i n GLN 482 N -1.10 1.26 -1.77 -1.09 6.02 -1.10 -4.98 117.38 114.62 1j0i n GLN 482 Ca 0.34 0.04 -0.02 0.00 -0.01 0.00 0.00 57.00 57.35 1j0i n GLN 482 Cb 0.99 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.92 1j0i n GLN 482 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1j0i n ASN 483 N -2.70 -3.20 0.28 1.08 2.85 -1.26 -4.19 115.26 108.12 1j0i n ASN 483 Ca -0.25 0.11 0.15 0.00 -0.11 0.00 0.00 54.58 54.48 1j0i n ASN 483 Cb 0.88 -1.89 0.80 0.00 1.24 0.00 0.00 39.78 40.81 1j0i n ASN 483 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1j0i h LYS 484 N 0.39 0.00 0.27 1.20 1.57 -1.91 -2.99 116.57 115.10 1j0i h LYS 484 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1j0i h LYS 484 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1j0i h LYS 484 CO 0.04 0.08 -0.13 1.49 -0.57 0.00 0.00 179.45 180.36 1j0i h GLU 485 N 0.00 -0.35 -0.59 3.15 4.81 -1.96 -1.06 114.58 118.58 1j0i h GLU 485 Ca -0.00 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1j0i h GLU 485 Cb 0.31 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1j0i h GLU 485 CO 0.01 -0.16 0.36 1.25 -0.73 0.00 0.00 179.01 179.74 1j0i h LEU 486 N -0.46 0.58 -0.94 1.64 5.85 -1.81 -0.74 115.31 119.43 1j0i h LEU 486 Ca -0.04 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1j0i h LEU 486 Cb 0.35 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1j0i h LEU 486 CO 0.06 0.41 0.61 -0.74 -0.34 0.00 0.00 178.44 178.44 1j0i h HIS 487 N 0.71 1.15 0.00 1.25 2.76 -1.22 -1.30 115.15 118.50 1j0i h HIS 487 Ca 0.24 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.29 1j0i h HIS 487 Cb 0.03 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 28.59 1j0i h HIS 487 CO -0.06 0.65 -0.70 1.96 -1.30 0.00 0.00 177.93 178.48 1j0i h GLN 488 N 1.17 0.00 -0.37 5.26 1.08 -0.80 -1.82 115.11 119.64 1j0i h GLN 488 Ca 0.38 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.57 1j0i h GLN 488 Cb 0.03 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1j0i h GLN 488 CO -0.13 0.70 0.18 1.25 -0.95 0.00 0.00 178.83 179.88 1j0i h HIS 489 N 0.00 0.53 -0.29 2.96 2.76 -0.32 0.15 115.15 120.93 1j0i h HIS 489 Ca -0.01 -0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 57.98 1j0i h HIS 489 Cb 1.36 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 1j0i h HIS 489 CO 0.00 0.45 -0.46 0.28 -1.30 0.00 0.00 177.93 176.90 1j0i h VAL 490 N 0.46 1.29 -0.71 5.26 2.07 -1.22 -0.72 116.25 122.68 1j0i h VAL 490 Ca 0.13 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 1j0i h VAL 490 Cb 0.11 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1j0i h VAL 490 CO -0.02 0.53 0.29 0.50 0.02 0.00 0.00 177.57 178.90 1j0i h LYS 491 N 0.61 1.06 0.60 1.57 3.64 -1.12 0.88 116.57 123.80 1j0i h LYS 491 Ca 0.04 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1j0i h LYS 491 Cb 1.02 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1j0i h LYS 491 CO 0.10 0.87 -0.29 0.37 -2.27 0.00 0.00 179.45 178.23 1j0i h GLN 492 N 1.02 -0.78 -0.96 1.90 4.15 -0.54 -1.75 115.11 118.15 1j0i h GLN 492 Ca 0.24 0.05 0.11 0.00 0.77 0.00 0.00 58.65 59.82 1j0i h GLN 492 Cb 0.20 0.18 -0.08 0.00 0.21 0.00 0.00 27.48 27.99 1j0i h GLN 492 CO -0.02 -0.47 0.60 -0.07 -1.93 0.00 0.00 178.83 176.93 1j0i h LEU 493 N -0.96 0.88 -1.58 -2.39 3.38 -0.95 0.24 115.31 113.94 1j0i h LEU 493 Ca -0.08 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1j0i h LEU 493 Cb 0.66 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1j0i h LEU 493 CO 0.14 0.49 -0.22 0.40 0.09 0.00 0.00 178.44 179.33 1j0i h ILE 494 N 0.97 1.11 0.19 1.22 2.04 -0.72 -0.54 117.51 121.78 1j0i h ILE 494 Ca 0.47 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1j0i h ILE 494 Cb 0.42 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1j0i h ILE 494 CO -0.25 0.21 -0.09 0.00 0.00 0.00 0.00 178.15 178.02 1j0i h ALA 495 N 1.78 -0.25 -0.26 1.87 0.00 0.34 -2.81 119.26 119.92 1j0i h ALA 495 Ca -0.00 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1j0i h ALA 495 Cb 0.40 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1j0i h ALA 495 CO 0.03 -0.42 0.05 -0.07 0.00 0.00 0.00 179.25 178.83 1j0i h LEU 496 N -0.69 0.00 -0.55 0.00 4.07 -0.85 -2.35 115.31 114.94 1j0i h LEU 496 Ca -0.03 0.04 0.11 0.00 0.08 0.00 0.00 57.88 58.09 1j0i h LEU 496 Cb 0.49 0.06 -0.09 0.00 1.08 0.00 0.00 40.66 42.19 1j0i h LEU 496 CO 0.04 0.03 -0.04 -0.09 -1.08 0.00 0.00 178.44 177.31 1j0i h ARG 497 N 0.14 0.08 0.00 1.13 2.43 -1.15 0.37 114.38 117.39 1j0i h ARG 497 Ca 0.12 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1j0i h ARG 497 Cb 0.12 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1j0i h ARG 497 CO -0.16 0.05 -0.04 -0.22 -1.51 0.00 0.00 179.97 178.10 1j0i h LYS 498 N 0.08 0.00 0.00 0.20 3.64 -1.18 -2.74 116.57 116.57 1j0i h LYS 498 Ca 0.28 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1j0i h LYS 498 Cb 0.43 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1j0i h LYS 498 CO -0.49 0.04 -1.41 0.94 -2.27 0.00 0.00 179.45 176.25 1j0i n GLN 499 N -3.48 0.63 -4.01 1.90 7.27 0.11 -4.82 117.38 114.98 1j0i n GLN 499 Ca -0.02 0.10 -0.31 0.00 0.07 0.00 0.00 57.00 56.84 1j0i n GLN 499 Cb 0.14 -1.75 -0.15 0.00 2.41 0.00 0.00 30.24 30.89 1j0i n GLN 499 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1j0i s TYR 500 N -3.16 2.81 0.43 3.69 1.51 0.10 -4.99 117.35 117.74 1j0i s TYR 500 Ca -0.03 -2.01 0.13 0.00 -1.01 0.00 0.00 57.07 54.15 1j0i s TYR 500 Cb 0.10 -1.75 1.01 0.00 -0.11 0.00 0.00 41.96 41.21 1j0i s TYR 500 CO 0.82 -0.82 1.98 -0.09 -1.11 0.00 0.00 175.55 176.33 1j0i h ARG 501 N 7.87 0.41 0.00 -0.62 2.43 -1.88 -1.36 114.38 121.23 1j0i h ARG 501 Ca -0.20 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1j0i h ARG 501 Cb 1.06 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1j0i h ARG 501 CO 0.44 0.27 -0.07 0.66 -1.51 0.00 0.00 179.97 179.77 1j0i h SER 502 N 0.43 0.00 0.52 -3.80 4.64 -1.89 -0.09 113.55 113.36 1j0i h SER 502 Ca 0.27 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.38 1j0i h SER 502 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1j0i h SER 502 CO -0.08 0.07 -0.92 -0.07 -0.87 0.00 0.00 176.83 174.96 1j0i h LEU 503 N 0.00 0.35 0.00 5.97 3.38 -1.51 -2.13 115.31 121.36 1j0i h LEU 503 Ca -0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1j0i h LEU 503 Cb 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1j0i h LEU 503 CO 0.01 1.10 -1.38 -2.11 0.09 0.00 0.00 178.44 176.15 1j0i n ARG 504 N -3.67 0.59 0.00 1.13 1.85 -0.97 -3.08 116.66 112.50 1j0i n ARG 504 Ca -0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1j0i n ARG 504 Cb 0.83 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.80 1j0i n ARG 504 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1j0i n ARG 505 N -1.80 2.53 -1.13 2.89 1.74 -0.08 -2.63 116.66 118.18 1j0i n ARG 505 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1j0i n ARG 505 Cb 0.40 -0.26 0.20 0.00 -1.02 0.00 0.00 32.46 31.79 1j0i n ARG 505 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1j0i s GLY 506 N -0.36 1.57 0.10 -0.13 0.00 -0.80 -4.98 107.32 102.72 1j0i s GLY 506 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 44.72 43.98 1j0i s GLY 506 CO 0.00 0.12 0.48 1.85 0.00 0.00 0.00 173.10 175.56 1j0i s GLU 507 N -5.13 3.93 0.02 2.90 2.12 0.25 -4.70 118.70 118.08 1j0i s GLU 507 Ca 0.68 0.41 0.01 0.00 0.36 0.00 0.00 54.97 56.42 1j0i s GLU 507 Cb -0.15 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1j0i s GLU 507 CO 0.57 0.55 0.08 -1.50 -0.54 0.00 0.00 175.26 174.42 1j0i s ILE 508 N -1.35 4.66 -0.11 -3.70 2.07 -1.26 0.01 121.20 121.53 1j0i s ILE 508 Ca 0.33 -0.51 -0.07 0.00 -1.41 0.00 0.00 60.65 58.99 1j0i s ILE 508 Cb -0.15 -3.16 0.04 0.00 0.13 0.00 0.00 42.46 39.32 1j0i s ILE 508 CO 0.18 0.29 0.27 -0.55 -1.91 0.00 0.00 174.94 173.22 1j0i s SER 509 N -1.92 -0.30 -0.22 4.50 0.15 -0.78 -5.00 113.70 110.13 1j0i s SER 509 Ca 0.25 0.58 -0.10 0.00 0.70 0.00 0.00 55.95 57.38 1j0i s SER 509 Cb -0.12 0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 64.63 1j0i s SER 509 CO 0.16 -0.15 0.13 -0.36 1.20 0.00 0.00 173.24 174.22 1j0i s PHE 510 N 1.04 3.33 0.09 3.44 0.40 -1.26 -1.16 117.98 123.85 1j0i s PHE 510 Ca -0.07 0.21 -0.06 0.00 -0.60 0.00 0.00 56.93 56.41 1j0i s PHE 510 Cb -0.08 -2.21 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 1j0i s PHE 510 CO -0.07 0.13 0.34 -0.51 0.70 0.00 0.00 175.22 175.81 1j0i s LEU 511 N 0.77 4.32 -0.24 -0.37 1.02 -0.29 -5.00 118.68 118.89 1j0i s LEU 511 Ca 0.07 0.59 -0.09 0.00 0.02 0.00 0.00 54.13 54.73 1j0i s LEU 511 Cb -0.13 -3.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.00 1j0i s LEU 511 CO 0.02 0.14 0.11 -1.00 0.02 0.00 0.00 176.35 175.64 1j0i s HIS 512 N -1.49 3.19 0.00 0.29 3.76 -1.26 -4.38 115.29 115.39 1j0i s HIS 512 Ca 0.35 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 1j0i s HIS 512 Cb -0.13 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.32 1j0i s HIS 512 CO 0.21 -0.12 0.00 0.00 -0.85 0.00 0.00 174.74 173.98 1j0i n ALA 513 N 4.52 0.00 -0.00 -1.40 0.00 -1.26 -5.08 120.51 117.29 1j0i n ALA 513 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 1j0i n ALA 513 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 1j0i n ALA 513 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1j0i h ASP 514 N 0.00 -0.00 0.00 0.00 3.32 -1.95 -3.34 116.42 114.45 1j0i h ASP 514 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1j0i h ASP 514 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 1j0i h ASP 514 CO 0.00 0.00 3.09 -0.67 -1.72 0.00 0.00 179.24 179.95 1j0i n ASP 515 N -2.01 6.32 -1.05 6.45 -0.08 -1.26 -4.65 116.55 120.26 1j0i n ASP 515 Ca -0.00 -2.44 0.00 0.00 -1.51 0.00 0.00 54.79 50.84 1j0i n ASP 515 Cb 0.00 -1.29 0.00 0.00 2.34 0.00 0.00 41.12 42.17 1j0i n ASP 515 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1j0i n GLU 516 N 4.08 0.39 -0.01 -0.67 2.13 -1.26 -1.46 120.64 123.84 1j0i n GLU 516 Ca 0.58 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.39 1j0i n GLU 516 Cb 0.18 -1.31 -0.01 0.00 0.27 0.00 0.00 31.44 30.57 1j0i n GLU 516 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1j0i n MET 517 N 0.87 2.10 -0.00 5.31 1.56 -1.26 -1.98 117.12 123.72 1j0i n MET 517 Ca 0.00 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 1j0i n MET 517 Cb 0.19 -1.04 -0.01 0.00 2.15 0.00 0.00 33.22 34.50 1j0i n MET 517 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1j0i n ASN 518 N -2.29 4.59 -4.64 6.12 3.02 -0.70 -2.39 115.26 118.98 1j0i n ASN 518 Ca -0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.11 1j0i n ASN 518 Cb 0.55 0.85 -0.06 0.00 -0.61 0.00 0.00 39.78 40.51 1j0i n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1j0i s TYR 519 N -2.09 3.32 -0.18 3.10 4.12 -0.54 -0.29 117.35 124.80 1j0i s TYR 519 Ca -0.01 0.87 -0.02 0.00 0.02 0.00 0.00 57.07 57.94 1j0i s TYR 519 Cb 0.01 -2.83 -0.01 0.00 -1.52 0.00 0.00 41.96 37.61 1j0i s TYR 519 CO 0.07 -0.27 -0.10 -1.17 0.02 0.00 0.00 175.55 174.10 1j0i s LEU 520 N 2.29 2.74 -0.08 -1.29 2.96 0.26 -4.65 118.68 120.90 1j0i s LEU 520 Ca 0.27 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1j0i s LEU 520 Cb -0.16 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.90 1j0i s LEU 520 CO 0.09 0.06 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.47 1j0i s ILE 521 N 0.96 0.97 0.04 6.68 1.01 -1.26 0.60 121.20 130.19 1j0i s ILE 521 Ca -0.01 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.11 1j0i s ILE 521 Cb -0.15 -0.95 0.04 0.00 0.01 0.00 0.00 42.46 41.42 1j0i s ILE 521 CO -0.01 0.34 0.47 -0.72 0.00 0.00 0.00 174.94 175.02 1j0i s TYR 522 N 1.20 -0.35 0.09 3.97 -0.85 -0.46 -1.14 117.35 119.81 1j0i s TYR 522 Ca -0.05 0.37 0.07 0.00 -0.52 0.00 0.00 57.07 56.94 1j0i s TYR 522 Cb -0.14 0.28 -0.03 0.00 0.38 0.00 0.00 41.96 42.44 1j0i s TYR 522 CO -0.02 -0.60 -0.18 -1.59 -1.52 0.00 0.00 175.55 171.64 1j0i s LYS 523 N -2.36 1.00 -0.19 -3.49 -2.85 -0.31 -0.01 119.74 111.54 1j0i s LYS 523 Ca -0.06 -1.07 -0.05 0.00 -1.00 0.00 0.00 55.97 53.78 1j0i s LYS 523 Cb -0.01 -1.16 -0.03 0.00 -2.06 0.00 0.00 37.83 34.57 1j0i s LYS 523 CO -0.01 0.27 0.01 0.15 0.10 0.00 0.00 175.35 175.86 1j0i s LYS 524 N -1.83 3.72 0.05 1.78 -0.14 -0.06 -1.87 119.74 121.39 1j0i s LYS 524 Ca 0.03 -0.48 0.09 0.00 -1.36 0.00 0.00 55.97 54.25 1j0i s LYS 524 Cb -0.10 -3.08 -0.03 0.00 -1.68 0.00 0.00 37.83 32.94 1j0i s LYS 524 CO 0.03 0.13 -0.25 0.99 -0.76 0.00 0.00 175.35 175.49 1j0i s THR 525 N 0.71 2.02 -0.35 2.17 2.01 0.10 -1.80 115.64 120.51 1j0i s THR 525 Ca 0.00 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 60.64 1j0i s THR 525 Cb -0.14 -1.74 0.19 0.00 0.01 0.00 0.00 72.50 70.82 1j0i s THR 525 CO 0.02 0.31 0.79 -0.62 -0.69 0.00 0.00 174.62 174.43 1j0i s ASP 526 N -1.27 -1.08 0.22 3.53 2.15 -0.91 0.84 116.67 120.14 1j0i s ASP 526 Ca 0.11 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 52.77 1j0i s ASP 526 Cb -0.10 1.48 0.00 0.00 -0.30 0.00 0.00 42.92 44.00 1j0i s ASP 526 CO 0.02 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 1j0i n GLY 527 N 4.52 0.48 0.21 2.66 0.00 -1.26 -2.71 105.19 109.09 1j0i n GLY 527 Ca 0.08 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.33 1j0i n GLY 527 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j0i h ASP 528 N 8.79 0.00 -2.33 1.61 3.32 -1.99 -3.44 116.42 122.38 1j0i h ASP 528 Ca 0.00 -0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1j0i h ASP 528 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 1j0i h ASP 528 CO 0.00 0.00 0.98 1.21 -1.72 0.00 0.00 179.24 179.71 1j0i n GLU 529 N -3.05 2.42 -3.70 3.56 0.00 -1.10 -4.83 120.64 113.95 1j0i n GLU 529 Ca 0.04 0.88 -0.11 0.00 0.00 0.00 0.00 57.16 57.97 1j0i n GLU 529 Cb 0.52 -2.71 -0.10 0.00 0.00 0.00 0.00 31.44 29.16 1j0i n GLU 529 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1j0i s THR 530 N 2.15 -0.01 -0.16 6.31 2.01 -1.26 -2.14 115.64 122.53 1j0i s THR 530 Ca 0.82 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.88 1j0i s THR 530 Cb -0.60 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.25 1j0i s THR 530 CO 0.40 0.02 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.47 1j0i s VAL 531 N 0.99 1.95 -0.24 3.82 1.01 -0.74 0.78 120.40 127.97 1j0i s VAL 531 Ca -0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1j0i s VAL 531 Cb -0.06 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1j0i s VAL 531 CO -0.09 0.52 0.21 -0.22 0.00 0.00 0.00 175.10 175.53 1j0i s LEU 532 N 1.18 4.12 -0.08 3.92 2.96 0.13 -0.88 118.68 130.03 1j0i s LEU 532 Ca 0.01 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1j0i s LEU 532 Cb -0.14 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 1j0i s LEU 532 CO -0.09 0.03 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.11 1j0i s VAL 533 N 1.16 2.82 -0.04 1.68 1.01 0.99 -0.98 120.40 127.03 1j0i s VAL 533 Ca 0.10 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1j0i s VAL 533 Cb -0.14 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 1j0i s VAL 533 CO 0.05 0.56 -0.18 -0.63 0.00 0.00 0.00 175.10 174.91 1j0i s ILE 534 N -0.23 1.49 -0.04 2.22 1.01 -1.02 -1.35 121.20 123.27 1j0i s ILE 534 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1j0i s ILE 534 Cb -0.13 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.09 1j0i s ILE 534 CO 0.03 0.43 -0.04 -0.63 0.00 0.00 0.00 174.94 174.73 1j0i s ILE 535 N -0.00 0.50 -0.64 2.92 1.01 0.20 -2.46 121.20 122.73 1j0i s ILE 535 Ca -0.03 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.39 1j0i s ILE 535 Cb -0.11 -0.53 0.16 0.00 0.01 0.00 0.00 42.46 41.99 1j0i s ILE 535 CO 0.02 0.22 0.56 0.21 0.00 0.00 0.00 174.94 175.95 1j0i s ASN 536 N 0.91 6.17 -1.19 3.58 2.47 0.26 -0.58 114.94 126.56 1j0i s ASN 536 Ca -0.11 -2.29 -0.09 0.00 0.42 0.00 0.00 52.86 50.78 1j0i s ASN 536 Cb -0.14 -2.12 0.22 0.00 -1.45 0.00 0.00 41.25 37.75 1j0i s ASN 536 CO 0.00 -0.65 1.54 -1.14 -3.72 0.00 0.00 177.10 173.13 1j0i n ARG 537 N 4.47 3.72 -4.08 0.43 0.63 0.60 -1.97 116.66 120.46 1j0i n ARG 537 Ca 0.00 -3.99 -0.10 0.00 -0.92 0.00 0.00 57.85 52.84 1j0i n ARG 537 Cb 0.42 -2.81 -0.07 0.00 0.45 0.00 0.00 32.46 30.46 1j0i n ARG 537 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1j0i s SER 538 N 0.94 0.00 -0.01 6.15 0.01 -1.26 -4.64 113.70 114.88 1j0i s SER 538 Ca 0.37 -1.11 0.10 0.00 1.31 0.00 0.00 55.95 56.62 1j0i s SER 538 Cb 0.02 0.51 0.31 0.00 0.21 0.00 0.00 66.02 67.06 1j0i s SER 538 CO 0.01 -1.02 1.23 -0.90 0.41 0.00 0.00 173.24 172.97 1j0i n ASP 539 N -0.34 1.95 -3.84 2.44 5.68 -1.26 -1.28 116.55 119.90 1j0i n ASP 539 Ca -0.00 -2.05 -0.09 0.00 -0.50 0.00 0.00 54.79 52.16 1j0i n ASP 539 Cb 0.63 -0.27 -0.04 0.00 -1.14 0.00 0.00 41.12 40.31 1j0i n ASP 539 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j0i s GLN 540 N -1.58 1.56 0.71 0.11 -2.07 -1.26 -4.72 119.66 112.41 1j0i s GLN 540 Ca 0.23 -1.00 -0.17 0.00 -1.82 0.00 0.00 55.36 52.60 1j0i s GLN 540 Cb 0.13 0.54 -0.08 0.00 -1.09 0.00 0.00 33.01 32.50 1j0i s GLN 540 CO 0.14 -0.68 0.17 1.63 -1.32 0.00 0.00 175.29 175.24 1j0i n LYS 541 N -0.39 0.18 -3.65 9.60 5.02 -1.26 -3.96 118.16 123.69 1j0i n LYS 541 Ca -0.06 0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.17 1j0i n LYS 541 Cb 0.61 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.04 1j0i n LYS 541 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j0i s ALA 542 N -1.95 -1.50 -0.48 7.82 0.00 0.55 -4.92 121.76 121.27 1j0i s ALA 542 Ca 0.60 1.60 -0.06 0.00 0.00 0.00 0.00 51.96 54.09 1j0i s ALA 542 Cb -0.36 -0.82 0.13 0.00 0.00 0.00 0.00 23.12 22.06 1j0i s ALA 542 CO 0.64 -0.30 0.32 -0.51 0.00 0.00 0.00 175.76 175.92 1j0i s ASP 543 N 0.06 5.52 -0.30 0.00 1.11 -1.26 -0.34 116.67 121.46 1j0i s ASP 543 Ca -0.02 -2.12 -0.16 0.00 0.18 0.00 0.00 52.55 50.42 1j0i s ASP 543 Cb -0.04 -1.93 -0.02 0.00 1.07 0.00 0.00 42.92 42.00 1j0i s ASP 543 CO 0.02 -0.59 0.43 -0.63 1.18 0.00 0.00 175.17 175.59 1j0i s ILE 544 N 1.03 5.11 -0.41 0.77 1.01 0.30 -4.86 121.20 124.16 1j0i s ILE 544 Ca 0.09 0.50 -0.25 0.00 0.00 0.00 0.00 60.65 60.99 1j0i s ILE 544 Cb -0.23 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.45 1j0i s ILE 544 CO -0.03 0.02 0.92 -2.16 0.00 0.00 0.00 174.94 173.69 1j0i s PRO 545 N 2.19 3.69 -0.42 2.79 0.04 -1.26 -1.01 135.00 141.02 1j0i s PRO 545 Ca 0.17 0.37 -0.09 0.00 0.04 0.00 0.00 61.00 61.48 1j0i s PRO 545 Cb -0.16 -3.86 0.08 0.00 0.04 0.00 0.00 34.50 30.60 1j0i s PRO 545 CO 0.11 -1.08 0.26 -1.50 0.04 0.00 0.00 177.00 174.83 1j0i s ILE 546 N 3.60 4.26 0.06 0.56 -1.16 0.14 -4.96 121.20 123.69 1j0i s ILE 546 Ca 0.37 -1.36 -0.31 0.00 -0.51 0.00 0.00 60.65 58.84 1j0i s ILE 546 Cb -0.11 -3.60 -0.07 0.00 0.61 0.00 0.00 42.46 39.29 1j0i s ILE 546 CO 0.22 -0.49 1.47 -2.16 -2.81 0.00 0.00 174.94 171.17 1j0i s PRO 547 N 1.44 4.27 -0.25 3.50 0.04 -1.26 -3.43 135.00 139.30 1j0i s PRO 547 Ca 0.03 2.11 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 1j0i s PRO 547 Cb -0.23 -3.47 0.08 0.00 0.04 0.00 0.00 34.50 30.93 1j0i s PRO 547 CO 0.02 -0.58 0.60 -1.17 0.04 0.00 0.00 177.00 175.92 1j0i s LEU 548 N 2.04 -0.78 0.06 -3.56 2.96 -1.23 -5.01 118.68 113.16 1j0i s LEU 548 Ca 0.67 1.36 -0.35 0.00 -0.22 0.00 0.00 54.13 55.59 1j0i s LEU 548 Cb -0.36 2.08 -0.18 0.00 0.50 0.00 0.00 46.19 48.23 1j0i s LEU 548 CO 0.29 -0.23 0.87 -0.67 -1.32 0.00 0.00 176.35 175.29 1j0i n ASP 549 N 4.58 -0.39 0.00 3.68 -0.08 -1.26 -4.65 116.55 118.43 1j0i n ASP 549 Ca -0.19 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 1j0i n ASP 549 Cb 0.56 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 43.12 1j0i n ASP 549 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j0i n ALA 550 N 1.00 0.00 -0.02 -1.67 0.00 -1.26 -4.69 120.51 113.86 1j0i n ALA 550 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1j0i n ALA 550 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1j0i n ALA 550 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1j0i n ARG 551 N 0.00 0.00 -0.39 0.00 1.74 -1.26 -1.37 116.66 115.39 1j0i n ARG 551 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1j0i n ARG 551 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1j0i n ARG 551 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j0i n GLY 552 N 0.00 1.84 3.37 -0.13 0.00 -1.26 -4.77 105.19 104.25 1j0i n GLY 552 Ca 0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1j0i n GLY 552 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j0i s THR 553 N 1.08 3.38 -0.05 2.61 2.01 -0.47 0.15 115.64 124.33 1j0i s THR 553 Ca 0.11 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.64 1j0i s THR 553 Cb 0.05 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 1j0i s THR 553 CO 0.00 0.47 -0.18 0.26 -0.69 0.00 0.00 174.62 174.48 1j0i s TRP 554 N 0.86 2.59 -0.11 4.92 0.52 -0.38 -3.04 118.94 124.31 1j0i s TRP 554 Ca -0.02 -0.38 -0.03 0.00 0.02 0.00 0.00 56.10 55.69 1j0i s TRP 554 Cb -0.15 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 1j0i s TRP 554 CO 0.01 0.02 0.02 -0.51 0.02 0.00 0.00 176.95 176.51 1j0i s LEU 555 N -0.47 3.65 -0.33 2.99 1.02 0.04 -1.28 118.68 124.31 1j0i s LEU 555 Ca 0.06 0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.36 1j0i s LEU 555 Cb -0.12 -1.86 0.10 0.00 0.02 0.00 0.00 46.19 44.33 1j0i s LEU 555 CO 0.01 0.32 0.05 -0.69 0.02 0.00 0.00 176.35 176.07 1j0i s VAL 556 N -0.55 1.90 -0.32 -1.59 1.01 -0.50 -2.32 120.40 118.03 1j0i s VAL 556 Ca 0.10 -2.04 -0.27 0.00 0.00 0.00 0.00 61.98 59.76 1j0i s VAL 556 Cb -0.12 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1j0i s VAL 556 CO 0.02 -0.58 2.26 0.21 0.00 0.00 0.00 175.10 177.02 1j0i s ASN 557 N 1.10 5.11 0.55 3.32 3.84 -0.33 -0.90 114.94 127.63 1j0i s ASN 557 Ca 0.09 1.56 0.33 0.00 0.21 0.00 0.00 52.86 55.06 1j0i s ASN 557 Cb -0.19 -2.51 1.45 0.00 -0.55 0.00 0.00 41.25 39.46 1j0i s ASN 557 CO -0.12 -2.28 2.02 -0.07 -2.79 0.00 0.00 177.10 173.86 1j0i h LEU 558 N 16.64 0.00 -0.04 3.21 3.38 -1.50 0.82 115.31 137.82 1j0i h LEU 558 Ca -0.35 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1j0i h LEU 558 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1j0i h LEU 558 CO 1.04 0.04 -0.18 -0.07 0.09 0.00 0.00 178.44 179.36 1j0i h LEU 559 N 0.00 0.23 0.00 1.67 3.38 -1.87 -3.38 115.31 115.34 1j0i h LEU 559 Ca -0.00 -0.65 -0.37 0.00 0.09 0.00 0.00 57.88 56.95 1j0i h LEU 559 Cb 0.46 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 1j0i h LEU 559 CO 0.01 0.84 -2.35 0.35 0.09 0.00 0.00 178.44 177.38 1j0i n THR 560 N -4.58 1.45 0.00 0.22 -2.24 -1.18 -5.00 114.28 102.95 1j0i n THR 560 Ca -0.09 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1j0i n THR 560 Cb 0.43 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1j0i n THR 560 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j0i n GLY 561 N 1.88 0.29 3.75 3.38 0.00 0.28 -5.06 105.19 109.72 1j0i n GLY 561 Ca -0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1j0i n GLY 561 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j0i n GLU 562 N -1.74 2.52 -4.26 1.61 2.13 -1.23 -4.71 120.64 114.96 1j0i n GLU 562 Ca 0.00 0.88 -0.24 0.00 0.66 0.00 0.00 57.16 58.46 1j0i n GLU 562 Cb 0.00 -2.58 -0.08 0.00 0.27 0.00 0.00 31.44 29.05 1j0i n GLU 562 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1j0i s ARG 563 N -1.88 2.16 0.00 5.31 0.52 -1.26 -1.19 118.95 122.62 1j0i s ARG 563 Ca 0.55 -1.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.02 1j0i s ARG 563 Cb -0.51 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 32.99 1j0i s ARG 563 CO 0.62 0.07 0.00 1.97 0.02 0.00 0.00 175.30 177.98 1j0i n PHE 564 N -1.05 0.00 -2.34 -0.53 1.16 -0.98 -5.00 117.46 108.72 1j0i n PHE 564 Ca -0.03 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.30 1j0i n PHE 564 Cb 0.63 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.56 1j0i n PHE 564 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1j0i s ALA 565 N -2.00 3.39 0.01 1.98 0.00 -1.26 -0.78 121.76 123.10 1j0i s ALA 565 Ca 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 1j0i s ALA 565 Cb 0.00 -2.43 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 1j0i s ALA 565 CO 0.00 -1.13 0.42 0.00 0.00 0.00 0.00 175.76 175.04 1j0i s ALA 566 N -3.10 3.69 0.00 0.00 0.00 -1.17 -4.86 121.76 116.33 1j0i s ALA 566 Ca 0.59 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1j0i s ALA 566 Cb -0.11 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1j0i s ALA 566 CO 0.43 0.48 0.00 -0.85 0.00 0.00 0.00 175.76 175.82 1j0i n GLU 567 N 1.74 0.00 0.00 0.00 0.00 -1.26 -4.67 120.64 116.45 1j0i n GLU 567 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.07 1j0i n GLU 567 Cb 0.52 -0.33 0.27 0.00 0.00 0.00 0.00 31.44 31.90 1j0i n GLU 567 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1j0i n ALA 568 N -2.83 1.86 0.00 -1.84 0.00 -1.26 -4.81 120.51 111.63 1j0i n ALA 568 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1j0i n ALA 568 Cb 0.33 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1j0i n ALA 568 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1j0i n GLU 569 N -0.95 0.00 -2.94 0.00 2.13 -1.26 -4.23 120.64 113.39 1j0i n GLU 569 Ca 0.07 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.73 1j0i n GLU 569 Cb 0.03 -1.35 -0.01 0.00 0.27 0.00 0.00 31.44 30.39 1j0i n GLU 569 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1j0i n THR 570 N 0.00 0.62 -0.79 6.31 -2.24 -1.26 -3.51 114.28 113.41 1j0i n THR 570 Ca 0.00 -4.08 -0.25 0.00 -2.27 0.00 0.00 64.05 57.44 1j0i n THR 570 Cb 0.00 -0.03 -0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1j0i n THR 570 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1j0i n LEU 571 N 0.08 -1.70 -4.17 3.22 7.99 -1.22 -4.23 117.00 116.96 1j0i n LEU 571 Ca 0.20 0.50 -0.31 0.00 -0.01 0.00 0.00 56.01 56.38 1j0i n LEU 571 Cb 0.70 -0.53 -0.17 0.00 -0.11 0.00 0.00 43.42 43.31 1j0i n LEU 571 CO 0.25 -2.51 -0.54 0.00 -1.51 0.00 0.00 177.39 173.08 1j0i s THR 573 N 0.58 3.38 -0.26 0.00 2.01 -0.18 -4.93 115.64 116.24 1j0i s THR 573 Ca -0.14 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.20 1j0i s THR 573 Cb -0.17 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1j0i s THR 573 CO 0.04 0.56 0.13 -0.44 -0.69 0.00 0.00 174.62 174.22 1j0i s SER 574 N -0.31 5.56 0.07 3.53 0.01 -1.26 -0.53 113.70 120.77 1j0i s SER 574 Ca 0.04 -0.11 0.09 0.00 1.31 0.00 0.00 55.95 57.27 1j0i s SER 574 Cb -0.13 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 1j0i s SER 574 CO 0.03 -0.04 -0.24 -0.76 0.41 0.00 0.00 173.24 172.64 1j0i s LEU 575 N 1.67 2.22 0.00 2.44 1.43 0.54 -4.96 118.68 122.03 1j0i s LEU 575 Ca 0.07 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 1j0i s LEU 575 Cb -0.15 -1.10 0.21 0.00 0.03 0.00 0.00 46.19 45.17 1j0i s LEU 575 CO 0.07 0.17 1.12 -0.81 0.23 0.00 0.00 176.35 177.13 1j0i n PRO 576 N 1.49 -1.45 -1.67 1.29 -0.04 -1.26 -0.33 135.00 133.02 1j0i n PRO 576 Ca -0.18 -1.73 -0.46 0.00 -0.04 0.00 0.00 63.50 61.09 1j0i n PRO 576 Cb 0.53 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.72 1j0i n PRO 576 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1j0i n PRO 577 N -3.62 2.19 -2.73 0.54 -0.02 -1.25 -0.96 135.00 129.15 1j0i n PRO 577 Ca 0.14 0.79 -0.21 0.00 -2.02 0.00 0.00 63.50 62.20 1j0i n PRO 577 Cb 0.50 -2.58 0.01 0.00 -0.02 0.00 0.00 33.50 31.41 1j0i n PRO 577 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1j0i n TYR 578 N 4.19 -1.51 -2.04 6.00 4.01 -0.40 -4.89 117.16 122.52 1j0i n TYR 578 Ca 0.18 0.26 -0.29 0.00 -0.16 0.00 0.00 57.90 57.89 1j0i n TYR 578 Cb 0.29 -4.11 0.05 0.00 -0.31 0.00 0.00 39.34 35.26 1j0i n TYR 578 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1j0i s GLY 579 N -2.37 1.62 0.10 2.72 0.00 -0.13 -4.80 107.32 104.45 1j0i s GLY 579 Ca 0.16 -0.53 -0.24 0.00 0.00 0.00 0.00 44.72 44.11 1j0i s GLY 579 CO 0.19 -0.16 0.58 -0.11 0.00 0.00 0.00 173.10 173.60 1j0i s PHE 580 N -3.29 -0.51 -0.16 1.90 -0.71 -1.26 -0.57 117.98 113.38 1j0i s PHE 580 Ca 0.58 0.46 -0.13 0.00 -1.04 0.00 0.00 56.93 56.80 1j0i s PHE 580 Cb -0.11 0.46 0.04 0.00 -1.21 0.00 0.00 43.02 42.21 1j0i s PHE 580 CO 0.49 -0.75 0.42 0.54 -1.34 0.00 0.00 175.22 174.58 1j0i s VAL 581 N -3.03 -0.01 -0.13 -2.49 0.11 -1.03 -5.02 120.40 108.80 1j0i s VAL 581 Ca -0.02 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 1j0i s VAL 581 Cb -0.00 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1j0i s VAL 581 CO -0.06 0.01 -0.08 -0.76 -3.33 0.00 0.00 175.10 170.88 1j0i s LEU 582 N 0.48 3.04 -0.12 2.54 1.02 -1.26 -2.44 118.68 121.94 1j0i s LEU 582 Ca -0.02 -0.18 0.02 0.00 0.02 0.00 0.00 54.13 53.96 1j0i s LEU 582 Cb -0.04 -1.70 0.02 0.00 0.02 0.00 0.00 46.19 44.48 1j0i s LEU 582 CO -0.02 0.20 -0.16 -0.31 0.02 0.00 0.00 176.35 176.08 1j0i s TYR 583 N 0.16 2.07 -0.06 0.29 4.12 -0.15 -1.28 117.35 122.50 1j0i s TYR 583 Ca -0.04 -1.02 -0.26 0.00 0.02 0.00 0.00 57.07 55.77 1j0i s TYR 583 Cb -0.14 -1.49 -0.03 0.00 -1.52 0.00 0.00 41.96 38.78 1j0i s TYR 583 CO 0.04 -0.52 0.83 0.00 0.02 0.00 0.00 175.55 175.91 1j0i s ALA 584 N 1.06 3.30 -0.31 3.71 0.00 -0.08 0.19 121.76 129.64 1j0i s ALA 584 Ca -0.05 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.06 1j0i s ALA 584 Cb -0.15 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1j0i s ALA 584 CO -0.03 -0.25 0.27 0.42 0.00 0.00 0.00 175.76 176.17 1j0i s ILE 585 N 1.13 5.25 -0.17 0.00 1.01 0.23 -1.40 121.20 127.25 1j0i s ILE 585 Ca 0.43 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 61.15 1j0i s ILE 585 Cb -0.19 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1j0i s ILE 585 CO 0.21 0.08 -0.04 -1.61 0.00 0.00 0.00 174.94 173.59 1j0i s GLU 586 N 1.86 3.63 -0.40 2.79 2.02 -0.41 -4.05 118.70 124.14 1j0i s GLU 586 Ca 0.09 -0.53 -0.13 0.00 0.02 0.00 0.00 54.97 54.41 1j0i s GLU 586 Cb -0.16 -2.93 0.03 0.00 0.10 0.00 0.00 34.13 31.16 1j0i s GLU 586 CO 0.11 0.18 0.27 -1.01 0.02 0.00 0.00 175.26 174.83 1j0i s HIS 587 N 0.53 3.25 -0.67 1.61 3.76 -1.26 -1.24 115.29 121.26 1j0i s HIS 587 Ca -0.03 -0.79 0.05 0.00 -0.15 0.00 0.00 55.06 54.15 1j0i s HIS 587 Cb -0.14 -2.59 0.04 0.00 1.11 0.00 0.00 32.58 31.00 1j0i s HIS 587 CO 0.03 -0.64 0.67 0.91 -0.85 0.00 0.00 174.74 174.86