#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxr s ASP 2 N 0.00 6.29 0.45 0.00 -1.08 -1.26 -4.92 116.67 116.15 1dxr s ASP 2 Ca 0.00 -0.51 0.25 0.00 -0.52 0.00 0.00 52.55 51.77 1dxr s ASP 2 Cb 0.00 -2.32 0.86 0.00 -1.46 0.00 0.00 42.92 40.00 1dxr s ASP 2 CO 0.00 -0.84 1.80 1.88 0.52 0.00 0.00 175.17 178.53 1dxr h TYR 3 N 8.94 0.00 0.00 -5.34 0.05 -2.02 -2.75 116.97 115.85 1dxr h TYR 3 Ca -0.26 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.50 1dxr h TYR 3 Cb 1.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 1dxr h TYR 3 CO 0.74 0.18 -0.07 1.96 -1.05 0.00 0.00 178.16 179.92 1dxr h GLN 4 N 0.00 0.00 0.00 4.88 1.08 -1.92 -0.77 115.11 118.38 1dxr h GLN 4 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1dxr h GLN 4 Cb 0.79 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1dxr h GLN 4 CO 0.02 0.07 0.00 0.25 -0.95 0.00 0.00 178.83 178.23 1dxr n THR 5 N -4.42 0.66 -0.09 -0.54 -2.24 -1.04 -3.27 114.28 103.34 1dxr n THR 5 Ca -0.03 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.45 1dxr n THR 5 Cb 0.15 -0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 67.46 1dxr n THR 5 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1dxr n ILE 6 N -2.19 1.57 -3.63 2.28 5.41 -0.41 -5.05 119.36 117.35 1dxr n ILE 6 Ca 0.04 -0.25 -0.09 0.00 1.00 0.00 0.00 62.75 63.45 1dxr n ILE 6 Cb 0.34 -1.91 -0.02 0.00 -0.71 0.00 0.00 39.64 37.34 1dxr n ILE 6 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1dxr s TYR 7 N -2.44 -0.34 -0.47 1.39 1.13 -0.52 -4.87 117.35 111.23 1dxr s TYR 7 Ca -0.30 0.04 -0.28 0.00 -1.41 0.00 0.00 57.07 55.11 1dxr s TYR 7 Cb 0.08 0.62 0.03 0.00 -1.10 0.00 0.00 41.96 41.59 1dxr s TYR 7 CO 0.60 -0.95 1.09 0.99 -2.51 0.00 0.00 175.55 174.77 1dxr s THR 8 N -3.68 4.28 0.07 -3.49 2.01 0.63 -3.79 115.64 111.66 1dxr s THR 8 Ca 0.06 1.16 -0.23 0.00 0.31 0.00 0.00 61.69 62.99 1dxr s THR 8 Cb -0.03 -4.56 -0.15 0.00 0.01 0.00 0.00 72.50 67.77 1dxr s THR 8 CO -0.04 -0.95 1.63 1.56 -0.69 0.00 0.00 174.62 176.14 1dxr h GLN 9 N 9.13 0.06 -4.77 4.92 4.20 -1.89 -3.41 115.11 123.35 1dxr h GLN 9 Ca -0.23 -0.01 -0.65 0.00 0.06 0.00 0.00 58.65 57.83 1dxr h GLN 9 Cb 1.06 -0.01 -0.37 0.00 0.30 0.00 0.00 27.48 28.47 1dxr h GLN 9 CO 1.10 0.16 -0.82 0.42 -0.67 0.00 0.00 178.83 179.03 1dxr s ILE 10 N -5.70 1.90 0.33 2.54 1.01 -1.26 -5.12 121.20 114.90 1dxr s ILE 10 Ca -0.14 -1.21 -0.23 0.00 0.00 0.00 0.00 60.65 59.08 1dxr s ILE 10 Cb 0.05 -1.93 -0.10 0.00 0.01 0.00 0.00 42.46 40.49 1dxr s ILE 10 CO 0.67 0.18 0.89 -1.10 0.00 0.00 0.00 174.94 175.57 1dxr s GLN 11 N 1.28 4.39 0.05 2.79 -0.21 -1.26 -5.08 119.66 121.61 1dxr s GLN 11 Ca -0.03 1.14 0.03 0.00 0.02 0.00 0.00 55.36 56.52 1dxr s GLN 11 Cb -0.17 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.17 1dxr s GLN 11 CO -0.08 0.21 0.04 0.00 -2.12 0.00 0.00 175.29 173.34 1dxr s ALA 12 N -1.77 3.43 0.02 6.09 0.00 -1.26 -5.12 121.76 123.15 1dxr s ALA 12 Ca 0.52 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1dxr s ALA 12 Cb -0.15 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1dxr s ALA 12 CO 0.20 0.70 -0.17 1.03 0.00 0.00 0.00 175.76 177.52 1dxr s ARG 13 N -2.06 1.26 0.35 0.00 1.81 -1.26 -5.03 118.95 114.02 1dxr s ARG 13 Ca 0.25 -0.76 -0.15 0.00 -1.72 0.00 0.00 55.73 53.35 1dxr s ARG 13 Cb -0.12 -1.28 0.04 0.00 -0.45 0.00 0.00 34.95 33.14 1dxr s ARG 13 CO 0.17 0.34 0.71 0.20 -0.68 0.00 0.00 175.30 176.04 1dxr s GLY 14 N -0.86 0.44 0.43 -3.53 0.00 -1.26 -5.14 107.32 97.40 1dxr s GLY 14 Ca 0.06 -0.77 -0.26 0.00 0.00 0.00 0.00 44.72 43.74 1dxr s GLY 14 CO 0.01 -0.38 1.45 -4.14 0.00 0.00 0.00 173.10 170.04 1dxr s PRO 15 N -2.86 3.81 0.05 2.90 0.02 -1.26 -4.94 135.00 132.73 1dxr s PRO 15 Ca 0.17 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.36 1dxr s PRO 15 Cb -0.04 -2.75 -0.05 0.00 0.02 0.00 0.00 34.50 31.68 1dxr s PRO 15 CO 0.12 -0.73 1.03 -3.38 -0.33 0.00 0.00 177.00 173.70 1dxr s HIS 16 N -1.17 3.64 0.15 6.54 -3.43 -1.26 -5.02 115.29 114.74 1dxr s HIS 16 Ca 0.58 1.63 -0.16 0.00 -0.80 0.00 0.00 55.06 56.32 1dxr s HIS 16 Cb -0.45 -3.18 -0.07 0.00 -1.43 0.00 0.00 32.58 27.45 1dxr s HIS 16 CO 0.59 -0.27 0.58 0.42 -2.00 0.00 0.00 174.74 174.06 1dxr s ILE 17 N 0.67 4.79 -0.08 -5.38 1.01 -1.26 -5.09 121.20 115.86 1dxr s ILE 17 Ca 0.52 0.96 0.01 0.00 0.00 0.00 0.00 60.65 62.14 1dxr s ILE 17 Cb -0.24 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.47 1dxr s ILE 17 CO 0.29 0.28 -0.07 -0.89 0.00 0.00 0.00 174.94 174.55 1dxr s THR 18 N -1.43 0.87 -0.27 2.92 2.01 -1.26 -5.11 115.64 113.38 1dxr s THR 18 Ca 0.38 -0.26 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 1dxr s THR 18 Cb -0.16 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1dxr s THR 18 CO 0.19 0.32 0.15 -0.69 -0.69 0.00 0.00 174.62 173.91 1dxr s VAL 19 N 1.24 5.04 0.17 3.82 1.01 -1.26 -5.06 120.40 125.36 1dxr s VAL 19 Ca -0.05 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1dxr s VAL 19 Cb -0.14 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 1dxr s VAL 19 CO -0.02 0.28 1.11 -0.55 0.00 0.00 0.00 175.10 175.92 1dxr s SER 20 N 1.64 7.25 0.43 3.32 0.15 -1.26 -5.05 113.70 120.18 1dxr s SER 20 Ca 0.07 2.09 0.01 0.00 0.70 0.00 0.00 55.95 58.82 1dxr s SER 20 Cb -0.15 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.55 1dxr s SER 20 CO 0.08 -0.24 0.65 -0.83 1.20 0.00 0.00 173.24 174.10 1dxr s GLY 21 N -0.05 1.55 0.58 9.45 0.00 -1.26 -4.84 107.32 112.75 1dxr s GLY 21 Ca 0.50 -1.08 0.31 0.00 0.00 0.00 0.00 44.72 44.45 1dxr s GLY 21 CO 0.35 -0.92 2.21 0.83 0.00 0.00 0.00 173.10 175.57 1dxr h GLU 22 N 0.46 0.00 -3.43 2.90 5.08 -1.21 -3.45 114.58 114.93 1dxr h GLU 22 Ca -0.46 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1dxr h GLU 22 Cb 1.25 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 1dxr h GLU 22 CO 0.57 0.04 -0.04 1.67 -1.00 0.00 0.00 179.01 180.24 1dxr s TRP 23 N -4.42 0.01 0.00 4.33 -2.14 -1.26 -4.99 118.94 110.47 1dxr s TRP 23 Ca -0.04 -0.36 0.00 0.00 2.66 0.00 0.00 56.10 58.36 1dxr s TRP 23 Cb 0.14 0.30 0.00 0.00 -3.10 0.00 0.00 33.47 30.81 1dxr s TRP 23 CO 0.54 -0.89 0.00 0.41 -2.66 0.00 0.00 176.95 174.35 1dxr n GLY 24 N -0.32 0.77 0.34 3.67 0.00 -1.26 -4.91 105.19 103.47 1dxr n GLY 24 Ca -0.09 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.10 1dxr n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dxr h ASP 25 N 0.00 0.00 0.05 1.61 5.19 -1.94 0.21 116.42 121.54 1dxr h ASP 25 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1dxr h ASP 25 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1dxr h ASP 25 CO 0.00 0.00 -0.02 0.59 -3.12 0.00 0.00 179.24 176.69 1dxr n ASN 26 N -4.02 0.77 -1.25 6.45 4.13 -1.26 -3.24 115.26 116.84 1dxr n ASN 26 Ca 0.03 -1.16 0.12 0.00 1.68 0.00 0.00 54.58 55.24 1dxr n ASN 26 Cb 0.35 -0.01 0.29 0.00 -1.54 0.00 0.00 39.78 38.87 1dxr n ASN 26 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1dxr n ASP 27 N -0.45 3.66 -4.63 6.41 9.92 0.74 -4.83 116.55 127.38 1dxr n ASP 27 Ca 0.20 -1.99 -0.43 0.00 -0.53 0.00 0.00 54.79 52.04 1dxr n ASP 27 Cb 0.25 -0.40 -0.03 0.00 -0.64 0.00 0.00 41.12 40.30 1dxr n ASP 27 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1dxr s ARG 28 N -1.20 4.01 0.03 -1.24 0.52 -1.20 0.07 118.95 119.94 1dxr s ARG 28 Ca 0.45 0.86 0.06 0.00 -0.52 0.00 0.00 55.73 56.57 1dxr s ARG 28 Cb 0.24 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 1dxr s ARG 28 CO 0.32 -0.83 -0.15 0.14 0.02 0.00 0.00 175.30 174.80 1dxr s VAL 29 N 3.39 3.04 0.00 3.52 -7.23 -0.19 -4.95 120.40 117.98 1dxr s VAL 29 Ca 0.40 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1dxr s VAL 29 Cb -0.13 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.52 1dxr s VAL 29 CO 0.15 0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 1dxr n GLY 30 N 1.57 2.80 3.52 2.32 0.00 -1.26 -2.25 105.19 111.90 1dxr n GLY 30 Ca -0.16 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1dxr n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dxr s LYS 31 N -3.40 3.70 0.29 1.61 2.20 -1.26 -4.67 119.74 118.21 1dxr s LYS 31 Ca 0.00 -0.49 -0.28 0.00 -0.36 0.00 0.00 55.97 54.84 1dxr s LYS 31 Cb 0.00 -2.95 -0.14 0.00 -1.51 0.00 0.00 37.83 33.23 1dxr s LYS 31 CO 0.00 0.26 1.04 -2.30 -0.36 0.00 0.00 175.35 174.00 1dxr n PRO 32 N 3.48 1.44 -4.31 4.03 -0.02 -1.26 -4.66 135.00 133.71 1dxr n PRO 32 Ca -0.17 0.51 -0.16 0.00 -2.02 0.00 0.00 63.50 61.65 1dxr n PRO 32 Cb 0.52 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 1dxr n PRO 32 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1dxr s PHE 33 N -1.05 1.47 -0.09 6.00 -0.12 -0.62 -4.96 117.98 118.60 1dxr s PHE 33 Ca 0.58 -0.90 0.04 0.00 -0.05 0.00 0.00 56.93 56.60 1dxr s PHE 33 Cb -0.69 -0.83 -0.00 0.00 -0.63 0.00 0.00 43.02 40.87 1dxr s PHE 33 CO 0.60 -0.04 -0.24 0.71 -0.05 0.00 0.00 175.22 176.21 1dxr s TYR 34 N -3.43 2.54 -0.22 3.49 1.51 -1.26 0.17 117.35 120.15 1dxr s TYR 34 Ca 0.26 -0.93 -0.07 0.00 -1.01 0.00 0.00 57.07 55.32 1dxr s TYR 34 Cb 0.05 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1dxr s TYR 34 CO 0.07 -0.35 0.05 0.45 -1.11 0.00 0.00 175.55 174.66 1dxr s SER 35 N 0.20 5.16 0.17 2.29 0.15 -0.05 -4.98 113.70 116.64 1dxr s SER 35 Ca -0.14 -0.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.28 1dxr s SER 35 Cb -0.17 -1.91 0.05 0.00 -1.71 0.00 0.00 66.02 62.29 1dxr s SER 35 CO 0.07 0.03 1.55 0.22 1.20 0.00 0.00 173.24 176.32 1dxr h TYR 36 N 7.76 1.05 -0.01 3.44 3.20 -1.98 0.35 116.97 130.78 1dxr h TYR 36 Ca -0.37 -0.27 -0.21 0.00 3.14 0.00 0.00 58.73 61.02 1dxr h TYR 36 Cb 1.18 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.20 1dxr h TYR 36 CO 0.63 1.06 -0.88 -1.49 -1.64 0.00 0.00 178.16 175.84 1dxr h TRP 37 N 0.77 0.47 -0.56 -3.82 6.55 -1.98 -2.80 115.95 114.57 1dxr h TRP 37 Ca 0.09 -0.25 0.02 0.00 0.95 0.00 0.00 58.89 59.70 1dxr h TRP 37 Cb 0.84 -0.06 -0.03 0.00 -0.86 0.00 0.00 29.16 29.05 1dxr h TRP 37 CO 0.05 1.05 0.36 1.25 -1.05 0.00 0.00 178.44 180.10 1dxr h LEU 38 N 0.18 0.60 -0.14 -4.49 5.85 -1.91 -2.19 115.31 113.21 1dxr h LEU 38 Ca -0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1dxr h LEU 38 Cb 1.51 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1dxr h LEU 38 CO 0.15 0.43 0.00 0.61 -0.34 0.00 0.00 178.44 179.28 1dxr n GLY 39 N -1.25 -0.62 0.10 3.75 0.00 0.11 -1.30 105.19 105.98 1dxr n GLY 39 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 1dxr n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dxr h LYS 40 N 0.00 0.00 0.00 1.61 1.57 -1.27 -3.37 116.57 115.11 1dxr h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dxr h LYS 40 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1dxr h LYS 40 CO 0.00 0.76 0.00 0.44 -0.57 0.00 0.00 179.45 180.08 1dxr n ILE 41 N -3.41 0.46 -3.56 1.86 -6.64 -0.42 -0.27 119.36 107.38 1dxr n ILE 41 Ca 0.00 -0.54 -0.03 0.00 -1.77 0.00 0.00 62.75 60.41 1dxr n ILE 41 Cb 0.80 0.87 0.01 0.00 -1.44 0.00 0.00 39.64 39.88 1dxr n ILE 41 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1dxr n GLY 42 N -0.23 1.18 3.77 3.28 0.00 -0.62 -5.04 105.19 107.53 1dxr n GLY 42 Ca 0.00 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1dxr n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dxr s ASP 43 N -2.23 6.77 0.43 1.61 -1.08 -1.26 -4.04 116.67 116.86 1dxr s ASP 43 Ca 0.11 2.69 0.23 0.00 -0.52 0.00 0.00 52.55 55.06 1dxr s ASP 43 Cb -0.02 -2.65 0.32 0.00 -1.46 0.00 0.00 42.92 39.11 1dxr s ASP 43 CO 0.05 -0.54 1.58 0.00 0.52 0.00 0.00 175.17 176.78 1dxr h ALA 44 N 3.39 0.97 -2.36 3.66 0.00 -1.84 -3.40 119.26 119.68 1dxr h ALA 44 Ca -0.49 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 53.87 1dxr h ALA 44 Cb 1.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1dxr h ALA 44 CO 0.66 0.01 0.56 -1.14 0.00 0.00 0.00 179.25 179.33 1dxr s GLN 45 N -3.22 4.44 -0.12 0.00 0.74 -1.26 -0.87 119.66 119.37 1dxr s GLN 45 Ca 0.07 1.57 -0.00 0.00 0.05 0.00 0.00 55.36 57.04 1dxr s GLN 45 Cb 0.05 -3.48 -0.02 0.00 1.10 0.00 0.00 33.01 30.66 1dxr s GLN 45 CO 0.68 -0.28 -0.11 0.42 -0.55 0.00 0.00 175.29 175.45 1dxr s ILE 46 N 1.62 3.29 0.02 -2.34 1.01 0.13 -4.96 121.20 119.98 1dxr s ILE 46 Ca 0.54 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1dxr s ILE 46 Cb -0.23 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1dxr s ILE 46 CO 0.24 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.32 1dxr n GLY 47 N 3.24 -2.22 3.50 6.18 0.00 -1.26 -1.59 105.19 113.04 1dxr n GLY 47 Ca -0.18 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 1dxr n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dxr s PRO 48 N -0.98 -1.06 0.04 1.61 0.04 -1.26 -4.55 135.00 128.84 1dxr s PRO 48 Ca 0.00 0.57 0.09 0.00 0.04 0.00 0.00 61.00 61.70 1dxr s PRO 48 Cb 0.00 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.95 1dxr s PRO 48 CO 0.00 -3.74 -0.26 -1.50 0.04 0.00 0.00 177.00 171.54 1dxr s ILE 49 N -2.58 2.09 0.21 0.56 2.07 -0.95 -4.96 121.20 117.63 1dxr s ILE 49 Ca 0.68 -1.33 -0.30 0.00 -1.41 0.00 0.00 60.65 58.29 1dxr s ILE 49 Cb -0.21 -1.78 -0.08 0.00 0.13 0.00 0.00 42.46 40.52 1dxr s ILE 49 CO 0.62 0.39 0.98 -0.47 -1.91 0.00 0.00 174.94 174.54 1dxr s TYR 50 N -0.77 3.86 0.00 3.50 5.04 -1.26 -1.02 117.35 126.70 1dxr s TYR 50 Ca 0.11 1.83 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 1dxr s TYR 50 Cb -0.10 -3.07 0.00 0.00 0.35 0.00 0.00 41.96 39.15 1dxr s TYR 50 CO 0.02 0.17 0.00 -0.11 -1.34 0.00 0.00 175.55 174.28 1dxr n LEU 51 N 1.85 0.00 0.00 6.97 7.94 0.11 -4.93 117.00 128.94 1dxr n LEU 51 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1dxr n LEU 51 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1dxr n LEU 51 CO 0.51 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.40 1dxr n GLY 52 N 3.45 -2.30 0.10 -3.96 0.00 -1.26 -4.15 105.19 97.06 1dxr n GLY 52 Ca 0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 1dxr n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxr h ALA 53 N 0.00 0.09 -0.49 4.61 0.00 -1.99 -2.06 119.26 119.42 1dxr h ALA 53 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1dxr h ALA 53 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1dxr h ALA 53 CO 0.00 0.02 0.01 0.66 0.00 0.00 0.00 179.25 179.94 1dxr h SER 54 N -0.32 0.77 -0.40 0.00 4.64 -1.86 0.15 113.55 116.53 1dxr h SER 54 Ca -0.01 -0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 1dxr h SER 54 Cb 0.79 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1dxr h SER 54 CO 0.04 0.84 -0.00 1.23 -0.87 0.00 0.00 176.83 178.06 1dxr h GLY 55 N 0.97 0.77 1.07 -0.77 0.00 -1.71 0.29 103.07 103.69 1dxr h GLY 55 Ca 0.15 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1dxr h GLY 55 CO 0.02 0.52 -0.14 -2.22 0.00 0.00 0.00 176.54 174.72 1dxr h ILE 56 N 0.54 1.27 -0.58 2.60 2.04 -1.17 -1.78 117.51 120.42 1dxr h ILE 56 Ca 0.11 -1.29 0.05 0.00 1.00 0.00 0.00 64.86 64.74 1dxr h ILE 56 Cb 0.48 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1dxr h ILE 56 CO 0.02 0.45 0.31 0.00 0.00 0.00 0.00 178.15 178.93 1dxr h ALA 57 N 0.89 0.76 -0.52 1.87 0.00 -0.56 -1.15 119.26 120.55 1dxr h ALA 57 Ca 0.12 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1dxr h ALA 57 Cb 0.70 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1dxr h ALA 57 CO 0.05 -0.03 0.29 0.00 0.00 0.00 0.00 179.25 179.56 1dxr h ALA 58 N 1.31 0.67 -0.45 0.00 0.00 -0.57 -1.49 119.26 118.72 1dxr h ALA 58 Ca 0.26 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1dxr h ALA 58 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1dxr h ALA 58 CO -0.17 -0.03 -0.04 0.74 0.00 0.00 0.00 179.25 179.75 1dxr h PHE 59 N 0.57 0.82 0.09 0.00 -1.00 -0.71 0.12 116.94 116.82 1dxr h PHE 59 Ca 0.22 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 1dxr h PHE 59 Cb 0.08 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.42 1dxr h PHE 59 CO -0.08 0.78 -0.04 0.00 -1.61 0.00 0.00 178.31 177.36 1dxr h ALA 60 N 1.25 -0.12 -0.45 2.45 0.00 -0.80 -0.67 119.26 120.92 1dxr h ALA 60 Ca 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1dxr h ALA 60 Cb 0.49 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1dxr h ALA 60 CO 0.03 -0.43 0.17 0.74 0.00 0.00 0.00 179.25 179.75 1dxr h PHE 61 N -0.39 0.70 -0.18 0.00 0.04 -1.23 -2.37 116.94 113.52 1dxr h PHE 61 Ca -0.01 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1dxr h PHE 61 Cb 0.33 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1dxr h PHE 61 CO 0.02 0.61 0.11 0.78 -0.60 0.00 0.00 178.31 179.23 1dxr h GLY 62 N 0.59 0.26 0.89 -1.45 0.00 -0.95 -1.93 103.07 100.47 1dxr h GLY 62 Ca 0.15 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.40 1dxr h GLY 62 CO -0.01 0.10 0.58 1.76 0.00 0.00 0.00 176.54 178.98 1dxr h SER 63 N 0.21 0.98 -0.25 0.19 0.02 -1.08 -0.25 113.55 113.36 1dxr h SER 63 Ca 0.06 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1dxr h SER 63 Cb 0.02 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1dxr h SER 63 CO -0.01 0.67 0.11 0.74 -1.14 0.00 0.00 176.83 177.20 1dxr h THR 64 N 1.14 0.98 -0.39 -2.27 2.02 -1.23 -0.42 112.91 112.74 1dxr h THR 64 Ca 0.36 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.50 1dxr h THR 64 Cb -0.01 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1dxr h THR 64 CO -0.11 0.04 0.13 0.00 0.37 0.00 0.00 175.52 175.95 1dxr h ALA 65 N 1.14 0.45 -0.62 6.16 0.00 -0.74 -1.92 119.26 123.73 1dxr h ALA 65 Ca 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1dxr h ALA 65 Cb 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1dxr h ALA 65 CO -0.08 -0.26 0.27 0.82 0.00 0.00 0.00 179.25 180.00 1dxr h ILE 66 N 0.29 1.21 -0.32 0.00 2.04 -0.77 -1.78 117.51 118.17 1dxr h ILE 66 Ca 0.18 -0.63 -0.14 0.00 1.00 0.00 0.00 64.86 65.27 1dxr h ILE 66 Cb 0.16 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1dxr h ILE 66 CO -0.18 0.26 -0.35 -0.07 0.00 0.00 0.00 178.15 177.80 1dxr h LEU 67 N 0.88 0.77 -0.68 1.44 3.38 -0.68 0.60 115.31 121.02 1dxr h LEU 67 Ca 0.21 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1dxr h LEU 67 Cb 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1dxr h LEU 67 CO -0.02 1.05 0.27 0.40 0.09 0.00 0.00 178.44 180.23 1dxr h ILE 68 N 0.61 1.24 0.20 1.22 2.04 -0.93 -0.83 117.51 121.06 1dxr h ILE 68 Ca 0.06 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1dxr h ILE 68 Cb 0.89 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1dxr h ILE 68 CO 0.08 0.30 -0.09 0.40 0.00 0.00 0.00 178.15 178.84 1dxr h ILE 69 N 0.97 0.90 -0.39 -0.67 2.04 -0.88 -2.16 117.51 117.31 1dxr h ILE 69 Ca 0.23 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1dxr h ILE 69 Cb 0.21 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1dxr h ILE 69 CO -0.02 0.13 0.04 -0.07 0.00 0.00 0.00 178.15 178.23 1dxr h LEU 70 N -0.56 0.56 -0.50 1.44 3.38 -0.84 0.55 115.31 119.34 1dxr h LEU 70 Ca -0.03 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1dxr h LEU 70 Cb 0.42 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1dxr h LEU 70 CO 0.04 0.61 -0.21 -0.26 0.09 0.00 0.00 178.44 178.71 1dxr h PHE 71 N 0.58 1.15 -0.19 1.13 -1.00 -1.12 -0.02 116.94 117.48 1dxr h PHE 71 Ca 0.13 -0.28 -0.12 0.00 2.81 0.00 0.00 57.97 60.51 1dxr h PHE 71 Cb 0.31 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 1dxr h PHE 71 CO 0.01 1.11 -0.38 -0.91 -1.61 0.00 0.00 178.31 176.53 1dxr h ASN 72 N 0.87 0.43 -0.44 2.17 2.35 -0.61 -1.85 115.58 118.50 1dxr h ASN 72 Ca 0.11 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 1dxr h ASN 72 Cb 0.79 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1dxr h ASN 72 CO 0.07 0.77 -0.18 0.24 -1.65 0.00 0.00 177.43 176.68 1dxr h MET 73 N 0.34 0.90 -0.67 0.81 2.86 -0.60 -2.46 114.93 116.11 1dxr h MET 73 Ca 0.03 -0.38 -0.03 0.00 -2.06 0.00 0.00 59.70 57.27 1dxr h MET 73 Cb 0.83 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1dxr h MET 73 CO 0.07 1.03 0.30 0.00 1.06 0.00 0.00 176.91 179.37 1dxr h ALA 74 N 0.84 1.28 -0.04 6.32 0.00 -0.91 -0.66 119.26 126.09 1dxr h ALA 74 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1dxr h ALA 74 Cb 0.74 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1dxr h ALA 74 CO 0.06 0.55 -0.17 0.00 0.00 0.00 0.00 179.25 179.68 1dxr h ALA 75 N 1.38 1.64 -0.27 0.00 0.00 -0.97 0.27 119.26 121.31 1dxr h ALA 75 Ca 0.23 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1dxr h ALA 75 Cb 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1dxr h ALA 75 CO -0.03 0.27 -0.17 1.49 0.00 0.00 0.00 179.25 180.81 1dxr h GLU 76 N 0.06 0.48 -0.61 0.00 4.81 -0.67 0.19 114.58 118.83 1dxr h GLU 76 Ca 0.01 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1dxr h GLU 76 Cb 0.34 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1dxr h GLU 76 CO 0.02 0.63 0.00 1.33 -0.73 0.00 0.00 179.01 180.26 1dxr n VAL 77 N -4.18 2.15 -3.70 0.32 0.24 -0.97 -4.94 118.33 107.25 1dxr n VAL 77 Ca 0.00 -1.29 -0.26 0.00 -2.04 0.00 0.00 64.34 60.76 1dxr n VAL 77 Cb 0.35 -0.01 0.06 0.00 -1.47 0.00 0.00 33.84 32.77 1dxr n VAL 77 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1dxr n HIS 78 N 0.92 -2.64 -1.37 6.34 -0.00 0.65 -2.10 115.22 117.02 1dxr n HIS 78 Ca 0.26 0.97 -0.13 0.00 0.46 0.00 0.00 57.72 59.29 1dxr n HIS 78 Cb 0.99 -4.69 -0.06 0.00 -0.12 0.00 0.00 29.99 26.11 1dxr n HIS 78 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1dxr n PHE 79 N -4.84 0.00 -2.41 1.57 3.72 0.85 -4.92 117.46 111.42 1dxr n PHE 79 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1dxr n PHE 79 Cb 0.56 -2.74 -0.02 0.00 -0.94 0.00 0.00 39.48 36.33 1dxr n PHE 79 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1dxr s ASP 80 N -2.55 6.83 0.12 4.37 -1.08 -0.89 -4.94 116.67 118.53 1dxr s ASP 80 Ca 0.00 1.51 -0.18 0.00 -0.52 0.00 0.00 52.55 53.36 1dxr s ASP 80 Cb 0.00 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.89 1dxr s ASP 80 CO 0.00 -0.90 1.70 -0.65 0.52 0.00 0.00 175.17 175.85 1dxr h PRO 81 N 8.69 0.44 -0.26 4.34 0.11 -1.91 0.13 132.00 143.54 1dxr h PRO 81 Ca -0.26 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 65.60 1dxr h PRO 81 Cb 1.10 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1dxr h PRO 81 CO 0.99 0.41 -0.57 1.25 -0.21 0.00 0.00 178.00 179.87 1dxr h LEU 82 N 0.37 0.95 -0.89 2.35 5.85 -1.99 -1.79 115.31 120.16 1dxr h LEU 82 Ca 0.11 -0.55 -0.09 0.00 0.84 0.00 0.00 57.88 58.18 1dxr h LEU 82 Cb 0.11 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1dxr h LEU 82 CO -0.01 1.32 -0.16 1.56 -0.34 0.00 0.00 178.44 180.81 1dxr h GLN 83 N 0.61 0.64 -0.13 1.25 1.08 -1.91 0.74 115.11 117.39 1dxr h GLN 83 Ca 0.00 -0.22 0.03 0.00 -1.45 0.00 0.00 58.65 57.01 1dxr h GLN 83 Cb 1.18 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.53 1dxr h GLN 83 CO 0.13 0.77 -0.06 0.35 -0.95 0.00 0.00 178.83 179.07 1dxr h PHE 84 N 0.58 -0.13 -0.44 2.96 3.57 -0.60 0.30 116.94 123.19 1dxr h PHE 84 Ca 0.09 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 1dxr h PHE 84 Cb 0.61 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1dxr h PHE 84 CO 0.03 -0.09 -0.23 0.35 -2.23 0.00 0.00 178.31 176.13 1dxr h PHE 85 N -0.04 1.03 0.27 0.41 3.57 -1.06 -1.78 116.94 119.35 1dxr h PHE 85 Ca 0.07 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 1dxr h PHE 85 Cb 0.14 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1dxr h PHE 85 CO -0.19 1.04 -0.22 -0.09 -2.23 0.00 0.00 178.31 176.61 1dxr h ARG 86 N 0.78 -0.49 -0.36 1.11 1.12 -0.16 -3.23 114.38 113.14 1dxr h ARG 86 Ca 0.10 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.00 1dxr h ARG 86 Cb 0.79 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.86 1dxr h ARG 86 CO 0.07 -0.33 0.00 1.04 -3.11 0.00 0.00 179.97 177.64 1dxr n GLN 87 N -5.35 2.28 -0.24 0.20 6.02 0.10 -4.67 117.38 115.71 1dxr n GLN 87 Ca -0.09 -1.94 0.03 0.00 -0.01 0.00 0.00 57.00 54.99 1dxr n GLN 87 Cb 0.26 -1.47 0.12 0.00 1.02 0.00 0.00 30.24 30.17 1dxr n GLN 87 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1dxr h PHE 88 N 3.71 -0.16 -0.66 1.08 3.57 -1.34 0.59 116.94 123.72 1dxr h PHE 88 Ca 0.00 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.64 1dxr h PHE 88 Cb 0.82 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 1dxr h PHE 88 CO 0.24 -0.25 0.44 0.74 -2.23 0.00 0.00 178.31 177.24 1dxr h PHE 89 N 0.07 0.59 0.00 0.41 -1.00 -1.88 -1.40 116.94 113.73 1dxr h PHE 89 Ca 0.38 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.17 1dxr h PHE 89 Cb 0.63 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1dxr h PHE 89 CO -0.46 0.29 -0.06 0.91 -1.61 0.00 0.00 178.31 177.38 1dxr n TRP 90 N -4.48 0.64 -3.18 -0.55 8.01 0.18 -0.66 117.44 117.39 1dxr n TRP 90 Ca 0.10 0.18 -0.34 0.00 -1.31 0.00 0.00 57.50 56.14 1dxr n TRP 90 Cb 0.31 -0.79 -0.06 0.00 -2.01 0.00 0.00 31.31 28.77 1dxr n TRP 90 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1dxr s LEU 91 N -4.06 4.19 0.21 -0.99 1.43 -0.53 -4.75 118.68 114.17 1dxr s LEU 91 Ca 0.11 1.25 -0.19 0.00 -1.03 0.00 0.00 54.13 54.28 1dxr s LEU 91 Cb 0.14 -3.80 0.03 0.00 0.03 0.00 0.00 46.19 42.59 1dxr s LEU 91 CO 0.59 -0.09 0.57 -0.83 0.23 0.00 0.00 176.35 176.83 1dxr s GLY 92 N -2.05 -0.17 -0.27 -3.19 0.00 -1.26 -4.21 107.32 96.18 1dxr s GLY 92 Ca 0.48 -0.13 -0.05 0.00 0.00 0.00 0.00 44.72 45.02 1dxr s GLY 92 CO 0.19 -0.16 0.02 -2.27 0.00 0.00 0.00 173.10 170.88 1dxr s LEU 93 N -2.86 3.47 0.04 0.66 2.96 0.25 -4.66 118.68 118.54 1dxr s LEU 93 Ca 0.08 -0.64 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1dxr s LEU 93 Cb -0.02 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1dxr s LEU 93 CO -0.02 -0.13 0.13 -0.31 -1.32 0.00 0.00 176.35 174.70 1dxr s TYR 94 N 1.46 3.36 1.21 5.38 2.02 -1.26 -1.33 117.35 128.18 1dxr s TYR 94 Ca 0.03 0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.79 1dxr s TYR 94 Cb -0.16 -1.72 0.30 0.00 -0.40 0.00 0.00 41.96 39.98 1dxr s TYR 94 CO -0.00 0.57 0.93 -2.30 -1.57 0.00 0.00 175.55 173.17 1dxr n PRO 95 N 0.62 -2.67 -1.69 -1.71 -0.02 -1.26 -4.06 135.00 124.21 1dxr n PRO 95 Ca -0.09 -0.75 -0.44 0.00 -2.02 0.00 0.00 63.50 60.19 1dxr n PRO 95 Cb 0.52 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1dxr n PRO 95 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1dxr n PRO 96 N -4.87 2.27 0.09 0.52 -0.04 -1.24 -4.49 135.00 127.24 1dxr n PRO 96 Ca 0.02 0.81 -0.17 0.00 -0.04 0.00 0.00 63.50 64.12 1dxr n PRO 96 Cb 0.55 -2.56 -0.14 0.00 -0.04 0.00 0.00 33.50 31.30 1dxr n PRO 96 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1dxr h LYS 97 N 5.35 0.29 -7.13 0.54 1.57 -1.92 -3.38 116.57 111.89 1dxr h LYS 97 Ca -0.45 -0.49 -0.49 0.00 -1.87 0.00 0.00 60.65 57.36 1dxr h LYS 97 Cb 1.25 0.18 0.02 0.00 0.08 0.00 0.00 32.23 33.77 1dxr h LYS 97 CO 0.84 1.19 0.31 0.00 -0.57 0.00 0.00 179.45 181.22 1dxr s ALA 98 N -2.63 3.16 -0.56 3.86 0.00 -1.26 -5.01 121.76 119.32 1dxr s ALA 98 Ca -0.06 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.62 1dxr s ALA 98 Cb 0.07 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 20.25 1dxr s ALA 98 CO 0.88 -0.29 1.04 -1.14 0.00 0.00 0.00 175.76 176.25 1dxr s GLN 99 N -4.31 3.41 0.00 0.00 2.00 -1.26 -4.77 119.66 114.73 1dxr s GLN 99 Ca 0.55 -0.05 0.15 0.00 -2.00 0.00 0.00 55.36 54.01 1dxr s GLN 99 Cb -0.10 -4.03 0.41 0.00 0.80 0.00 0.00 33.01 30.08 1dxr s GLN 99 CO 0.37 -1.55 1.33 0.66 -0.50 0.00 0.00 175.29 175.60 1dxr n TYR 100 N 7.84 0.61 0.00 1.67 4.01 -1.26 -5.08 117.16 124.95 1dxr n TYR 100 Ca 0.04 -0.47 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 1dxr n TYR 100 Cb 0.48 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1dxr n TYR 100 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dxr n GLY 101 N 0.92 3.56 1.15 2.72 0.00 -1.26 -1.18 105.19 111.10 1dxr n GLY 101 Ca 0.16 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.17 1dxr n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1dxr n MET 102 N 13.96 2.44 -1.88 1.61 2.81 -1.16 -2.94 117.12 131.97 1dxr n MET 102 Ca 0.00 -2.24 -0.41 0.00 -1.81 0.00 0.00 57.70 53.24 1dxr n MET 102 Cb 0.00 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.00 1dxr n MET 102 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1dxr s GLY 103 N -1.05 2.19 -0.07 3.03 0.00 -0.32 -4.90 107.32 106.19 1dxr s GLY 103 Ca 0.42 1.46 -0.31 0.00 0.00 0.00 0.00 44.72 46.29 1dxr s GLY 103 CO 0.29 2.44 2.03 1.39 0.00 0.00 0.00 173.10 179.24 1dxr n ILE 104 N 2.29 0.61 -2.25 0.90 5.41 -1.26 -4.86 119.36 120.20 1dxr n ILE 104 Ca 0.08 -0.21 -0.33 0.00 1.00 0.00 0.00 62.75 63.28 1dxr n ILE 104 Cb 0.39 -2.26 -0.01 0.00 -0.71 0.00 0.00 39.64 37.04 1dxr n ILE 104 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1dxr s PRO 105 N 4.92 3.60 0.54 0.38 0.04 -1.26 -5.02 135.00 138.20 1dxr s PRO 105 Ca 0.94 1.16 -0.20 0.00 0.04 0.00 0.00 61.00 62.93 1dxr s PRO 105 Cb -0.48 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 31.91 1dxr s PRO 105 CO 0.43 -0.58 0.86 -0.35 0.04 0.00 0.00 177.00 177.40 1dxr n PRO 106 N -1.68 0.93 -0.35 0.56 -0.04 -1.26 -3.65 135.00 129.51 1dxr n PRO 106 Ca 0.08 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 64.03 1dxr n PRO 106 Cb 0.53 -2.00 0.33 0.00 -0.04 0.00 0.00 33.50 32.32 1dxr n PRO 106 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1dxr h LEU 107 N 0.75 0.77 -0.29 1.53 3.38 -1.92 0.34 115.31 119.86 1dxr h LEU 107 Ca -0.46 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1dxr h LEU 107 Cb 1.37 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1dxr h LEU 107 CO 0.52 0.25 0.00 1.12 0.09 0.00 0.00 178.44 180.42 1dxr h HIS 108 N 0.74 0.00 -2.15 1.13 2.07 -1.97 -3.08 115.15 111.88 1dxr h HIS 108 Ca 0.59 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 57.57 1dxr h HIS 108 Cb 0.95 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 30.52 1dxr h HIS 108 CO -0.00 0.00 -0.90 -3.47 -3.07 0.00 0.00 177.93 170.49 1dxr n ASP 109 N -2.45 2.78 0.00 3.10 2.03 0.93 -4.91 116.55 118.03 1dxr n ASP 109 Ca 0.04 -3.37 0.00 0.00 0.52 0.00 0.00 54.79 51.98 1dxr n ASP 109 Cb 0.39 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 1dxr n ASP 109 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dxr n GLY 110 N 0.02 1.53 0.12 0.27 0.00 -1.08 -3.73 105.19 102.32 1dxr n GLY 110 Ca 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 1dxr n GLY 110 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dxr h GLY 111 N 0.00 0.34 1.23 -0.02 0.00 -0.78 -1.39 103.07 102.45 1dxr h GLY 111 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1dxr h GLY 111 CO 0.00 0.13 -0.02 1.49 0.00 0.00 0.00 176.54 178.14 1dxr h TRP 112 N 0.32 1.00 -0.40 5.60 4.06 -1.80 -2.06 115.95 122.68 1dxr h TRP 112 Ca 0.09 -0.16 0.05 0.00 2.06 0.00 0.00 58.89 60.92 1dxr h TRP 112 Cb -0.03 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 27.82 1dxr h TRP 112 CO -0.06 0.91 0.13 2.35 -3.56 0.00 0.00 178.44 178.22 1dxr h TRP 113 N 0.85 0.23 -0.90 0.49 7.01 -1.71 0.77 115.95 122.69 1dxr h TRP 113 Ca 0.15 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 1dxr h TRP 113 Cb 0.53 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.50 1dxr h TRP 113 CO 0.03 0.09 0.51 1.25 -2.79 0.00 0.00 178.44 177.53 1dxr h LEU 114 N 0.29 1.10 -0.33 0.65 5.85 -1.03 -0.13 115.31 121.71 1dxr h LEU 114 Ca 0.18 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1dxr h LEU 114 Cb 0.17 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1dxr h LEU 114 CO -0.19 0.87 0.12 0.24 -0.34 0.00 0.00 178.44 179.14 1dxr h MET 115 N 1.25 0.51 -0.61 1.25 2.86 -0.74 -1.57 114.93 117.88 1dxr h MET 115 Ca 0.32 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 1dxr h MET 115 Cb -0.00 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1dxr h MET 115 CO -0.05 0.53 0.19 0.00 1.06 0.00 0.00 176.91 178.63 1dxr h ALA 116 N 0.96 1.18 -0.52 6.32 0.00 -0.53 -2.29 119.26 124.38 1dxr h ALA 116 Ca 0.11 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1dxr h ALA 116 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1dxr h ALA 116 CO -0.01 0.57 0.03 0.78 0.00 0.00 0.00 179.25 180.62 1dxr h GLY 117 N 1.02 0.93 0.89 0.00 0.00 -0.73 -0.46 103.07 104.72 1dxr h GLY 117 Ca 0.20 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1dxr h GLY 117 CO -0.01 0.57 0.03 -2.00 0.00 0.00 0.00 176.54 175.14 1dxr h LEU 118 N 0.81 0.09 -0.77 3.11 5.85 -0.98 -1.56 115.31 121.86 1dxr h LEU 118 Ca 0.16 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1dxr h LEU 118 Cb 0.44 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1dxr h LEU 118 CO 0.02 0.19 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.04 1dxr h PHE 119 N -0.01 1.00 -0.66 1.25 0.04 -1.27 -1.52 116.94 115.76 1dxr h PHE 119 Ca 0.02 -0.16 0.06 0.00 2.80 0.00 0.00 57.97 60.69 1dxr h PHE 119 Cb 0.12 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 37.95 1dxr h PHE 119 CO -0.03 0.90 0.37 1.98 -0.60 0.00 0.00 178.31 180.93 1dxr h MET 120 N 0.85 0.67 -0.68 1.51 4.05 -1.04 -0.32 114.93 119.98 1dxr h MET 120 Ca 0.16 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1dxr h MET 120 Cb 0.51 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 1dxr h MET 120 CO 0.03 0.44 0.35 1.15 0.23 0.00 0.00 176.91 179.11 1dxr h THR 121 N 0.69 1.22 -0.37 -0.77 2.02 -0.85 0.48 112.91 115.33 1dxr h THR 121 Ca 0.29 -0.58 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 1dxr h THR 121 Cb 0.17 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1dxr h THR 121 CO -0.17 0.25 -0.20 -0.07 0.37 0.00 0.00 175.52 175.69 1dxr h LEU 122 N 0.93 0.71 -0.23 2.58 3.38 -1.07 -0.71 115.31 120.90 1dxr h LEU 122 Ca 0.24 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1dxr h LEU 122 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1dxr h LEU 122 CO -0.03 0.90 0.08 -1.28 0.09 0.00 0.00 178.44 178.20 1dxr h SER 123 N 0.62 0.10 -0.58 -0.43 0.87 -0.40 -0.68 113.55 113.05 1dxr h SER 123 Ca 0.09 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 1dxr h SER 123 Cb 0.68 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 1dxr h SER 123 CO 0.05 0.09 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.32 1dxr h LEU 124 N 0.19 1.04 -0.26 2.23 3.38 -0.64 -2.18 115.31 119.08 1dxr h LEU 124 Ca 0.10 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1dxr h LEU 124 Cb 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1dxr h LEU 124 CO -0.10 1.12 0.15 1.23 0.09 0.00 0.00 178.44 180.93 1dxr h GLY 125 N 0.94 0.35 1.01 0.83 0.00 -0.97 -1.43 103.07 103.81 1dxr h GLY 125 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1dxr h GLY 125 CO 0.04 0.10 0.51 1.76 0.00 0.00 0.00 176.54 178.95 1dxr h SER 126 N 0.30 0.92 -0.25 0.19 0.02 -0.99 -2.11 113.55 111.62 1dxr h SER 126 Ca 0.10 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1dxr h SER 126 Cb 0.00 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1dxr h SER 126 CO -0.05 0.68 -0.10 -0.25 -1.14 0.00 0.00 176.83 175.97 1dxr h TRP 127 N 1.08 0.70 -0.86 3.45 2.91 -1.25 -2.29 115.95 119.68 1dxr h TRP 127 Ca 0.29 -0.11 -0.03 0.00 1.13 0.00 0.00 58.89 60.17 1dxr h TRP 127 Cb -0.11 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 28.32 1dxr h TRP 127 CO -0.01 0.72 0.42 2.35 -1.03 0.00 0.00 178.44 180.89 1dxr h TRP 128 N 0.59 1.23 -0.69 2.65 7.01 -0.81 -0.63 115.95 125.31 1dxr h TRP 128 Ca 0.11 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1dxr h TRP 128 Cb 0.52 -0.38 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 1dxr h TRP 128 CO 0.02 0.88 0.45 0.82 -2.79 0.00 0.00 178.44 177.82 1dxr h ILE 129 N 1.22 1.19 -0.57 2.65 2.04 -0.98 0.34 117.51 123.40 1dxr h ILE 129 Ca 0.30 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1dxr h ILE 129 Cb 0.11 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1dxr h ILE 129 CO -0.04 0.19 0.37 -0.09 0.00 0.00 0.00 178.15 178.58 1dxr h ARG 130 N 0.94 0.75 -0.41 2.37 2.43 -1.00 0.41 114.38 119.88 1dxr h ARG 130 Ca 0.25 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1dxr h ARG 130 Cb -0.08 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1dxr h ARG 130 CO -0.05 0.50 -0.13 0.28 -1.51 0.00 0.00 179.97 179.05 1dxr h VAL 131 N 0.77 1.26 0.05 0.20 2.07 -0.60 -1.19 116.25 118.79 1dxr h VAL 131 Ca 0.21 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1dxr h VAL 131 Cb -0.08 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1dxr h VAL 131 CO -0.04 0.40 -0.02 0.22 0.02 0.00 0.00 177.57 178.14 1dxr h TYR 132 N 0.67 -0.06 -0.42 1.57 3.20 -0.68 -3.29 116.97 117.95 1dxr h TYR 132 Ca 0.11 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1dxr h TYR 132 Cb 0.61 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1dxr h TYR 132 CO 0.03 0.58 0.13 0.77 -1.64 0.00 0.00 178.16 178.02 1dxr h SER 133 N -0.82 0.11 -0.10 -2.11 0.02 -0.12 -2.49 113.55 108.03 1dxr h SER 133 Ca -0.01 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1dxr h SER 133 Cb 0.66 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1dxr h SER 133 CO 0.01 0.09 0.06 0.03 -1.14 0.00 0.00 176.83 175.89 1dxr h ARG 134 N 0.28 0.15 -0.19 3.45 2.47 -1.34 0.27 114.38 119.47 1dxr h ARG 134 Ca 0.20 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.85 1dxr h ARG 134 Cb 0.21 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1dxr h ARG 134 CO -0.22 0.12 -0.13 0.00 0.56 0.00 0.00 179.97 180.29 1dxr h ALA 135 N 1.91 0.27 -0.66 0.04 0.00 -1.52 -2.09 119.26 117.21 1dxr h ALA 135 Ca 0.04 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1dxr h ALA 135 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1dxr h ALA 135 CO -0.01 0.14 0.08 0.00 0.00 0.00 0.00 179.25 179.47 1dxr h ARG 136 N 0.10 1.10 -0.34 0.00 2.47 -1.03 0.86 114.38 117.55 1dxr h ARG 136 Ca 0.04 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.43 1dxr h ARG 136 Cb 0.64 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 1dxr h ARG 136 CO 0.04 1.02 0.12 0.00 0.56 0.00 0.00 179.97 181.71 1dxr h ALA 137 N 1.04 1.58 -0.35 0.04 0.00 -0.40 -1.35 119.26 119.82 1dxr h ALA 137 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dxr h ALA 137 Cb 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1dxr h ALA 137 CO 0.02 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.88 1dxr n LEU 138 N -4.39 2.84 -1.06 0.00 4.77 -0.80 -0.65 117.00 117.72 1dxr n LEU 138 Ca 0.02 -1.25 -0.06 0.00 -0.03 0.00 0.00 56.01 54.69 1dxr n LEU 138 Cb 0.15 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1dxr n LEU 138 CO 0.37 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1dxr n GLY 139 N 1.37 0.35 3.63 -0.72 0.00 -0.51 -5.03 105.19 104.29 1dxr n GLY 139 Ca 0.18 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1dxr n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dxr s LEU 140 N -2.29 3.17 1.03 0.99 1.43 0.21 -5.02 118.68 118.21 1dxr s LEU 140 Ca 0.09 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.49 1dxr s LEU 140 Cb -0.04 -1.76 0.21 0.00 0.03 0.00 0.00 46.19 44.63 1dxr s LEU 140 CO 0.11 0.04 1.09 -0.83 0.23 0.00 0.00 176.35 177.00 1dxr s GLY 141 N -3.31 1.56 -0.36 -3.19 0.00 -1.26 -4.13 107.32 96.63 1dxr s GLY 141 Ca 0.29 -0.41 0.08 0.00 0.00 0.00 0.00 44.72 44.68 1dxr s GLY 141 CO 0.18 0.23 1.74 -1.30 0.00 0.00 0.00 173.10 173.96 1dxr n THR 142 N -4.28 2.91 -0.25 0.90 -2.24 -1.26 -4.64 114.28 105.42 1dxr n THR 142 Ca 0.05 -2.04 0.03 0.00 -2.27 0.00 0.00 64.05 59.83 1dxr n THR 142 Cb 0.57 -0.39 0.26 0.00 -2.10 0.00 0.00 70.33 68.68 1dxr n THR 142 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1dxr h HIS 143 N 1.56 0.96 -0.52 4.78 3.86 -1.99 -1.90 115.15 121.89 1dxr h HIS 143 Ca 0.38 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.57 1dxr h HIS 143 Cb 2.33 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 30.46 1dxr h HIS 143 CO 1.29 0.54 0.16 0.82 0.86 0.00 0.00 177.93 181.61 1dxr h ILE 144 N 0.98 1.23 -0.62 2.45 2.04 -1.95 -2.23 117.51 119.42 1dxr h ILE 144 Ca 0.33 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1dxr h ILE 144 Cb 0.08 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1dxr h ILE 144 CO -0.10 0.29 0.29 0.00 0.00 0.00 0.00 178.15 178.63 1dxr h ALA 145 N 1.02 1.35 0.00 1.87 0.00 -1.64 0.10 119.26 121.96 1dxr h ALA 145 Ca 0.17 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1dxr h ALA 145 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1dxr h ALA 145 CO -0.00 0.51 -0.62 -1.49 0.00 0.00 0.00 179.25 177.64 1dxr h TRP 146 N 0.87 0.00 -0.26 0.00 4.06 -1.28 1.00 115.95 120.34 1dxr h TRP 146 Ca 0.22 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.08 1dxr h TRP 146 Cb 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1dxr h TRP 146 CO 0.01 0.62 -0.17 -0.97 -3.56 0.00 0.00 178.44 174.37 1dxr h ASN 147 N 0.00 0.60 -0.73 -3.49 -1.24 -0.69 -3.14 115.58 106.90 1dxr h ASN 147 Ca -0.01 -0.44 -0.02 0.00 0.71 0.00 0.00 56.30 56.55 1dxr h ASN 147 Cb 1.10 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.95 1dxr h ASN 147 CO 0.08 0.91 0.38 0.15 -1.29 0.00 0.00 177.43 177.66 1dxr h PHE 148 N 0.30 1.05 -0.66 0.67 3.57 -0.72 -2.70 116.94 118.45 1dxr h PHE 148 Ca 0.05 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1dxr h PHE 148 Cb 0.70 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1dxr h PHE 148 CO 0.07 0.75 0.44 0.00 -2.23 0.00 0.00 178.31 177.33 1dxr h ALA 149 N 1.36 1.56 -0.21 2.41 0.00 -0.76 -0.61 119.26 123.02 1dxr h ALA 149 Ca 0.26 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1dxr h ALA 149 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1dxr h ALA 149 CO -0.04 0.39 -0.40 0.00 0.00 0.00 0.00 179.25 179.21 1dxr h ALA 150 N 1.60 0.93 -0.28 0.00 0.00 -1.45 0.40 119.26 120.45 1dxr h ALA 150 Ca 0.25 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1dxr h ALA 150 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1dxr h ALA 150 CO -0.06 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.72 1dxr h ALA 151 N 1.18 0.40 -0.77 0.00 0.00 -1.25 -1.61 119.26 117.20 1dxr h ALA 151 Ca 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1dxr h ALA 151 Cb 0.87 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1dxr h ALA 151 CO 0.07 0.24 0.41 0.82 0.00 0.00 0.00 179.25 180.80 1dxr h ILE 152 N 0.32 1.23 -0.77 0.00 2.04 -0.91 -2.35 117.51 117.08 1dxr h ILE 152 Ca 0.07 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1dxr h ILE 152 Cb 0.60 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1dxr h ILE 152 CO 0.03 0.27 0.40 0.15 0.00 0.00 0.00 178.15 179.00 1dxr h PHE 153 N 1.07 1.07 -0.58 1.37 3.57 -0.72 -0.94 116.94 121.77 1dxr h PHE 153 Ca 0.27 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1dxr h PHE 153 Cb 0.06 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 1dxr h PHE 153 CO 0.00 0.75 0.35 0.35 -2.23 0.00 0.00 178.31 177.53 1dxr h PHE 154 N 1.08 0.77 -0.80 0.41 3.57 -0.84 0.39 116.94 121.53 1dxr h PHE 154 Ca 0.27 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.78 1dxr h PHE 154 Cb 0.05 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 1dxr h PHE 154 CO 0.01 0.53 0.53 0.28 -2.23 0.00 0.00 178.31 177.43 1dxr h VAL 155 N 0.78 1.20 -0.43 1.41 2.07 -0.82 -1.27 116.25 119.20 1dxr h VAL 155 Ca 0.21 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 1dxr h VAL 155 Cb -0.01 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1dxr h VAL 155 CO -0.04 0.20 -0.22 -0.07 0.02 0.00 0.00 177.57 177.46 1dxr h LEU 156 N 1.08 0.88 -0.16 2.57 3.38 -0.23 0.20 115.31 123.03 1dxr h LEU 156 Ca 0.29 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1dxr h LEU 156 Cb -0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1dxr h LEU 156 CO -0.07 1.07 0.02 0.00 0.09 0.00 0.00 178.44 179.56 1dxr h ILE 158 N 0.08 0.68 0.16 0.00 3.07 -1.30 0.24 117.51 120.44 1dxr h ILE 158 Ca 0.07 -1.93 -0.36 0.00 1.55 0.00 0.00 64.86 64.19 1dxr h ILE 158 Cb 0.07 2.31 -0.00 0.00 -0.27 0.00 0.00 36.82 38.93 1dxr h ILE 158 CO -0.10 0.38 -1.84 1.23 -1.05 0.00 0.00 178.15 176.77 1dxr h GLY 159 N 3.53 0.38 0.00 0.16 0.00 -0.76 -3.33 103.07 103.05 1dxr h GLY 159 Ca -0.00 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 46.35 1dxr h GLY 159 CO 0.05 0.86 0.00 0.00 0.00 0.00 0.00 176.54 177.45 1dxr h ILE 161 N 0.00 1.40 -0.38 0.00 2.04 -0.86 -1.68 117.51 118.03 1dxr h ILE 161 Ca 0.00 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.16 1dxr h ILE 161 Cb 0.00 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1dxr h ILE 161 CO 0.00 0.50 0.21 -0.74 0.00 0.00 0.00 178.15 178.11 1dxr h HIS 162 N -0.05 0.52 -0.85 1.37 2.76 -1.16 0.17 115.15 117.91 1dxr h HIS 162 Ca -0.02 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.21 1dxr h HIS 162 Cb 0.98 -0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.70 1dxr h HIS 162 CO 0.12 0.41 0.52 -1.35 -1.30 0.00 0.00 177.93 176.33 1dxr h PRO 163 N 0.49 0.90 -0.66 5.26 0.11 -1.77 -2.24 132.00 134.09 1dxr h PRO 163 Ca 0.13 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1dxr h PRO 163 Cb 0.06 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 1dxr h PRO 163 CO -0.02 0.60 0.36 1.15 -0.21 0.00 0.00 178.00 179.88 1dxr h THR 164 N 0.93 1.21 -0.67 -1.15 2.02 -0.89 0.25 112.91 114.61 1dxr h THR 164 Ca 0.38 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 1dxr h THR 164 Cb 0.23 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1dxr h THR 164 CO -0.19 0.23 0.21 -0.07 0.37 0.00 0.00 175.52 176.07 1dxr h LEU 165 N 0.90 0.94 -0.04 2.58 3.38 -0.45 -2.50 115.31 120.14 1dxr h LEU 165 Ca 0.23 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1dxr h LEU 165 Cb 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1dxr h LEU 165 CO -0.04 0.88 -0.60 1.33 0.09 0.00 0.00 178.44 180.10 1dxr n VAL 166 N -4.27 0.00 -1.59 1.22 0.24 -0.89 -4.89 118.33 108.14 1dxr n VAL 166 Ca 0.05 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1dxr n VAL 166 Cb 0.21 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1dxr n VAL 166 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dxr n GLY 167 N 1.49 0.78 3.10 7.63 0.00 0.61 -5.07 105.19 113.74 1dxr n GLY 167 Ca 0.06 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 1dxr n GLY 167 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dxr s SER 168 N -2.77 0.09 0.42 1.61 0.15 0.33 -2.97 113.70 110.56 1dxr s SER 168 Ca 0.00 0.72 0.30 0.00 0.70 0.00 0.00 55.95 57.66 1dxr s SER 168 Cb 0.00 0.87 1.38 0.00 -1.71 0.00 0.00 66.02 66.56 1dxr s SER 168 CO 0.00 -0.23 1.89 -0.50 1.20 0.00 0.00 173.24 175.60 1dxr h TRP 169 N 8.11 0.00 0.00 3.44 -0.00 -1.77 -3.03 115.95 122.71 1dxr h TRP 169 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.71 1dxr h TRP 169 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.28 1dxr h TRP 169 CO 0.34 0.00 0.00 -1.13 -0.00 0.00 0.00 178.44 177.65 1dxr n SER 170 N -2.61 0.51 -0.34 -3.49 3.41 -1.26 -2.35 113.62 107.48 1dxr n SER 170 Ca 0.00 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 1dxr n SER 170 Cb 0.18 -0.78 0.29 0.00 -0.26 0.00 0.00 64.21 63.63 1dxr n SER 170 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dxr n GLU 171 N -2.14 1.03 -1.22 4.33 -0.58 -1.14 -4.82 120.64 116.09 1dxr n GLU 171 Ca -0.00 -0.69 -0.29 0.00 -0.42 0.00 0.00 57.16 55.76 1dxr n GLU 171 Cb 0.08 -1.49 0.15 0.00 -0.57 0.00 0.00 31.44 29.61 1dxr n GLU 171 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1dxr s GLY 172 N -2.45 1.60 -0.16 0.62 0.00 -0.99 -4.89 107.32 101.06 1dxr s GLY 172 Ca 0.24 -0.18 -0.25 0.00 0.00 0.00 0.00 44.72 44.52 1dxr s GLY 172 CO 0.51 0.34 0.82 0.14 0.00 0.00 0.00 173.10 174.92 1dxr s VAL 173 N -2.97 4.90 0.73 1.40 1.01 -1.25 -4.78 120.40 119.43 1dxr s VAL 173 Ca 0.64 1.62 -0.15 0.00 0.00 0.00 0.00 61.98 64.09 1dxr s VAL 173 Cb -0.18 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.11 1dxr s VAL 173 CO 0.57 0.05 1.19 -2.84 0.00 0.00 0.00 175.10 174.07 1dxr s PRO 174 N 2.01 2.20 -0.15 2.72 0.02 -1.26 -4.84 135.00 135.70 1dxr s PRO 174 Ca 0.38 1.71 -0.18 0.00 0.02 0.00 0.00 61.00 62.93 1dxr s PRO 174 Cb -0.17 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 1dxr s PRO 174 CO 0.13 -1.78 0.49 -0.06 -0.33 0.00 0.00 177.00 175.46 1dxr s PHE 175 N -2.05 3.46 0.00 6.54 0.08 -0.44 -3.96 117.98 121.61 1dxr s PHE 175 Ca 0.73 0.85 0.00 0.00 0.12 0.00 0.00 56.93 58.64 1dxr s PHE 175 Cb -0.28 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 39.58 1dxr s PHE 175 CO 0.45 0.07 0.00 0.41 -0.10 0.00 0.00 175.22 176.05 1dxr n GLY 176 N 3.48 3.74 0.08 4.36 0.00 -1.26 -0.58 105.19 115.00 1dxr n GLY 176 Ca -0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 46.02 44.97 1dxr n GLY 176 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1dxr h ILE 177 N 2.64 0.00 -0.41 -0.61 1.08 -1.73 -2.36 117.51 116.11 1dxr h ILE 177 Ca 0.00 -0.08 -0.15 0.00 -0.39 0.00 0.00 64.86 64.24 1dxr h ILE 177 Cb 0.00 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 1dxr h ILE 177 CO 0.00 0.00 -0.32 -0.50 -0.69 0.00 0.00 178.15 176.64 1dxr h TRP 178 N -0.28 1.09 -1.00 1.37 -0.00 -1.19 -3.30 115.95 112.63 1dxr h TRP 178 Ca -0.02 -0.30 0.07 0.00 -0.00 0.00 0.00 58.89 58.64 1dxr h TRP 178 Cb 0.15 -0.24 -0.07 0.00 -0.00 0.00 0.00 29.16 29.01 1dxr h TRP 178 CO 0.11 1.12 0.65 -1.35 -0.00 0.00 0.00 178.44 178.97 1dxr h PRO 179 N 0.78 1.13 0.00 0.49 0.11 -1.73 -0.73 132.00 132.05 1dxr h PRO 179 Ca 0.08 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1dxr h PRO 179 Cb 0.90 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 1dxr h PRO 179 CO 0.08 0.75 -0.05 1.12 -0.21 0.00 0.00 178.00 179.68 1dxr h HIS 180 N 1.16 0.00 0.21 0.65 2.07 -1.52 -2.58 115.15 115.14 1dxr h HIS 180 Ca 0.44 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.64 1dxr h HIS 180 Cb 0.19 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.20 1dxr h HIS 180 CO -0.00 0.05 -1.39 0.82 -3.07 0.00 0.00 177.93 174.34 1dxr h ILE 181 N 0.00 1.32 -0.22 6.12 1.08 -1.31 -3.25 117.51 121.25 1dxr h ILE 181 Ca -0.00 -2.70 -0.06 0.00 -0.39 0.00 0.00 64.86 61.70 1dxr h ILE 181 Cb 0.51 2.95 -0.01 0.00 -3.07 0.00 0.00 36.82 37.20 1dxr h ILE 181 CO 0.01 0.81 -0.14 0.44 -0.69 0.00 0.00 178.15 178.58 1dxr h ASP 182 N 0.17 0.35 -0.96 1.72 3.32 -0.80 -1.76 116.42 118.45 1dxr h ASP 182 Ca -0.22 -0.08 0.13 0.00 0.02 0.00 0.00 57.03 56.87 1dxr h ASP 182 Cb 2.08 -0.09 -0.09 0.00 0.22 0.00 0.00 39.33 41.46 1dxr h ASP 182 CO 0.26 0.51 0.58 -0.25 -1.72 0.00 0.00 179.24 178.62 1dxr h TRP 183 N 0.34 1.05 -1.00 4.55 7.01 -1.53 -1.73 115.95 124.64 1dxr h TRP 183 Ca 0.06 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.12 1dxr h TRP 183 Cb 0.45 -0.32 -0.05 0.00 -2.10 0.00 0.00 29.16 27.13 1dxr h TRP 183 CO 0.01 0.37 0.66 -0.07 -2.79 0.00 0.00 178.44 176.63 1dxr h LEU 184 N 0.89 1.13 -0.00 0.65 3.38 -1.40 0.51 115.31 120.47 1dxr h LEU 184 Ca 0.49 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.29 1dxr h LEU 184 Cb 0.55 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1dxr h LEU 184 CO -0.29 0.80 -0.57 0.74 0.09 0.00 0.00 178.44 179.22 1dxr h THR 185 N 1.33 1.44 -0.91 0.22 2.02 -1.59 -2.35 112.91 113.07 1dxr h THR 185 Ca 0.38 -2.06 0.05 0.00 0.77 0.00 0.00 66.41 65.54 1dxr h THR 185 Cb -0.10 2.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.86 1dxr h THR 185 CO -0.10 0.60 0.58 0.00 0.37 0.00 0.00 175.52 176.97 1dxr h ALA 186 N 0.32 1.23 -0.27 6.16 0.00 -0.98 -0.47 119.26 125.25 1dxr h ALA 186 Ca -0.07 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1dxr h ALA 186 Cb 1.28 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1dxr h ALA 186 CO 0.11 0.40 -0.28 0.35 0.00 0.00 0.00 179.25 179.83 1dxr h PHE 187 N 1.10 0.81 -0.51 0.00 3.57 -0.93 -0.26 116.94 120.71 1dxr h PHE 187 Ca 0.38 -0.24 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1dxr h PHE 187 Cb 0.08 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1dxr h PHE 187 CO -0.02 0.98 0.10 1.03 -2.23 0.00 0.00 178.31 178.18 1dxr h SER 188 N 0.40 0.79 0.05 0.41 0.87 -1.30 -1.87 113.55 112.90 1dxr h SER 188 Ca 0.04 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1dxr h SER 188 Cb 0.85 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1dxr h SER 188 CO 0.07 0.84 -0.02 0.40 -0.53 0.00 0.00 176.83 177.58 1dxr h ILE 189 N 0.72 1.00 -0.74 2.23 2.04 -0.95 0.46 117.51 122.26 1dxr h ILE 189 Ca 0.16 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 65.98 1dxr h ILE 189 Cb 0.37 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1dxr h ILE 189 CO 0.01 0.03 0.49 -0.09 0.00 0.00 0.00 178.15 178.59 1dxr h ARG 190 N -0.12 0.60 -0.49 2.37 9.65 -0.90 -2.54 114.38 122.94 1dxr h ARG 190 Ca -0.01 -0.04 -0.16 0.00 -1.10 0.00 0.00 59.98 58.68 1dxr h ARG 190 Cb 0.10 -0.14 -0.09 0.00 -1.39 0.00 0.00 29.97 28.46 1dxr h ARG 190 CO 0.01 0.40 0.11 0.66 2.80 0.00 0.00 179.97 183.95 1dxr n TYR 191 N -4.50 1.63 -2.83 2.20 4.01 -0.72 -4.85 117.16 112.11 1dxr n TYR 191 Ca 0.12 -1.25 -0.10 0.00 -0.16 0.00 0.00 57.90 56.51 1dxr n TYR 191 Cb 0.36 -0.53 0.03 0.00 -0.31 0.00 0.00 39.34 38.88 1dxr n TYR 191 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dxr n GLY 192 N -0.60 0.23 1.06 2.72 0.00 -0.86 -1.42 105.19 106.32 1dxr n GLY 192 Ca 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1dxr n GLY 192 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dxr n ASN 193 N -0.37 -1.45 0.10 1.61 2.85 0.10 -1.08 115.26 117.02 1dxr n ASN 193 Ca -0.02 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.54 1dxr n ASN 193 Cb 0.54 -0.72 0.42 0.00 1.24 0.00 0.00 39.78 41.25 1dxr n ASN 193 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1dxr n PHE 194 N 0.32 0.53 0.26 1.20 3.01 -1.26 -1.25 117.46 120.27 1dxr n PHE 194 Ca 0.00 0.24 0.09 0.00 1.01 0.00 0.00 57.45 58.79 1dxr n PHE 194 Cb 0.00 -0.88 0.68 0.00 -0.01 0.00 0.00 39.48 39.27 1dxr n PHE 194 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 1dxr h TYR 195 N 0.00 0.00 -0.50 1.38 0.05 -1.96 -1.78 116.97 114.16 1dxr h TYR 195 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1dxr h TYR 195 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1dxr h TYR 195 CO 0.00 0.01 0.00 0.66 -1.05 0.00 0.00 178.16 177.78 1dxr n TYR 196 N -4.41 0.67 -2.99 4.88 4.01 -0.38 -4.77 117.16 114.16 1dxr n TYR 196 Ca -0.03 -0.33 -0.42 0.00 -0.16 0.00 0.00 57.90 56.96 1dxr n TYR 196 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 1dxr n TYR 196 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dxr h PRO 198 N 8.07 0.36 0.00 0.00 0.11 -1.87 -1.27 132.00 137.39 1dxr h PRO 198 Ca -0.25 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1dxr h PRO 198 Cb 1.10 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1dxr h PRO 198 CO 0.85 0.24 -0.08 -1.49 -0.21 0.00 0.00 178.00 177.31 1dxr h TRP 199 N 0.37 0.00 -0.29 0.65 6.55 -1.92 0.07 115.95 121.37 1dxr h TRP 199 Ca 0.23 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.99 1dxr h TRP 199 Cb 0.42 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.71 1dxr h TRP 199 CO -0.00 0.08 -0.13 1.25 -1.05 0.00 0.00 178.44 178.59 1dxr h HIS 200 N 0.00 0.70 -0.34 0.49 2.76 -1.54 -1.60 115.15 115.63 1dxr h HIS 200 Ca -0.00 -0.17 0.03 0.00 -2.20 0.00 0.00 60.37 58.03 1dxr h HIS 200 Cb 1.00 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.77 1dxr h HIS 200 CO 0.00 0.83 0.14 0.78 -1.30 0.00 0.00 177.93 178.39 1dxr h GLY 201 N 0.36 0.44 0.81 5.26 0.00 -0.99 -0.87 103.07 108.08 1dxr h GLY 201 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.32 1dxr h GLY 201 CO 0.04 0.06 0.01 0.74 0.00 0.00 0.00 176.54 177.39 1dxr h PHE 202 N 0.30 0.01 -0.55 5.60 0.04 -0.98 -1.01 116.94 120.35 1dxr h PHE 202 Ca 0.15 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.99 1dxr h PHE 202 Cb 0.09 0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.20 1dxr h PHE 202 CO -0.12 -0.01 0.23 1.03 -0.60 0.00 0.00 178.31 178.85 1dxr h SER 203 N 0.06 0.28 -0.64 2.17 0.87 -1.00 -0.62 113.55 114.68 1dxr h SER 203 Ca 0.06 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1dxr h SER 203 Cb 0.07 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 1dxr h SER 203 CO -0.10 0.19 0.23 0.40 -0.53 0.00 0.00 176.83 177.01 1dxr h ILE 204 N 0.44 1.24 -0.66 2.23 2.04 -1.01 0.11 117.51 121.90 1dxr h ILE 204 Ca 0.26 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1dxr h ILE 204 Cb 0.25 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1dxr h ILE 204 CO -0.23 0.31 0.33 1.23 0.00 0.00 0.00 178.15 179.79 1dxr h GLY 205 N 0.90 1.01 2.00 5.37 0.00 -0.64 0.23 103.07 111.94 1dxr h GLY 205 Ca 0.21 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 1dxr h GLY 205 CO -0.01 0.46 -0.62 0.74 0.00 0.00 0.00 176.54 177.11 1dxr h PHE 206 N 0.91 0.00 -0.06 5.60 0.04 -0.79 -0.33 116.94 122.30 1dxr h PHE 206 Ca 0.23 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.89 1dxr h PHE 206 Cb 0.09 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.25 1dxr h PHE 206 CO -0.00 0.62 -0.38 0.00 -0.60 0.00 0.00 178.31 177.95 1dxr h ALA 207 N 1.38 0.13 -0.95 2.45 0.00 -0.01 0.38 119.26 122.63 1dxr h ALA 207 Ca -0.01 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1dxr h ALA 207 Cb 1.11 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1dxr h ALA 207 CO 0.08 0.23 0.62 1.88 0.00 0.00 0.00 179.25 182.06 1dxr h TYR 208 N -0.13 1.17 -0.31 0.00 0.05 -0.63 -2.44 116.97 114.68 1dxr h TYR 208 Ca -0.03 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1dxr h TYR 208 Cb 1.04 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 1dxr h TYR 208 CO 0.13 0.69 -0.10 0.78 -1.05 0.00 0.00 178.16 178.62 1dxr h GLY 209 N 1.22 0.56 1.02 3.88 0.00 -0.83 0.74 103.07 109.66 1dxr h GLY 209 Ca 0.37 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1dxr h GLY 209 CO -0.11 0.35 0.58 0.00 0.00 0.00 0.00 176.54 177.36 1dxr h GLY 211 N 1.28 0.42 0.99 0.00 0.00 -0.89 -0.02 103.07 104.84 1dxr h GLY 211 Ca 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1dxr h GLY 211 CO -0.07 0.18 -0.08 -2.00 0.00 0.00 0.00 176.54 174.58 1dxr h LEU 212 N 0.33 -0.19 -0.47 3.11 6.46 -0.47 -2.51 115.31 121.57 1dxr h LEU 212 Ca 0.10 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1dxr h LEU 212 Cb 0.07 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1dxr h LEU 212 CO -0.02 -0.12 0.07 -0.07 -0.62 0.00 0.00 178.44 177.68 1dxr h LEU 213 N -0.24 0.74 -0.63 2.25 3.38 -0.19 -0.73 115.31 119.89 1dxr h LEU 213 Ca -0.02 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.54 1dxr h LEU 213 Cb 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1dxr h LEU 213 CO 0.04 0.81 -0.60 0.15 0.09 0.00 0.00 178.44 178.93 1dxr h PHE 214 N 0.64 0.36 -0.39 1.13 3.04 -1.02 0.24 116.94 120.94 1dxr h PHE 214 Ca 0.14 -0.14 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1dxr h PHE 214 Cb 0.39 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1dxr h PHE 214 CO 0.03 0.81 0.17 0.00 -2.02 0.00 0.00 178.31 177.30 1dxr h ALA 215 N 1.16 0.50 -0.16 2.41 0.00 -1.40 0.37 119.26 122.15 1dxr h ALA 215 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1dxr h ALA 215 Cb 1.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1dxr h ALA 215 CO 0.10 0.08 -0.09 0.00 0.00 0.00 0.00 179.25 179.34 1dxr h ALA 216 N 1.02 0.22 -0.08 0.00 0.00 -1.04 -1.39 119.26 118.00 1dxr h ALA 216 Ca 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1dxr h ALA 216 Cb 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1dxr h ALA 216 CO -0.01 0.04 -0.08 1.25 0.00 0.00 0.00 179.25 180.45 1dxr h HIS 217 N -0.00 0.23 -0.44 0.00 -0.00 -0.50 -0.16 115.15 114.28 1dxr h HIS 217 Ca 0.03 -0.07 0.08 0.00 -0.00 0.00 0.00 60.37 60.41 1dxr h HIS 217 Cb 0.57 -0.05 -0.07 0.00 -0.00 0.00 0.00 27.41 27.87 1dxr h HIS 217 CO 0.07 0.63 0.04 0.78 -0.00 0.00 0.00 177.93 179.45 1dxr h GLY 218 N -0.24 0.49 1.55 5.26 0.00 -0.32 -0.90 103.07 108.91 1dxr h GLY 218 Ca 0.01 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 1dxr h GLY 218 CO 0.02 -0.08 -0.21 0.00 0.00 0.00 0.00 176.54 176.26 1dxr h ALA 219 N 1.37 1.11 -0.42 3.60 0.00 -1.25 -1.98 119.26 121.69 1dxr h ALA 219 Ca 0.22 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1dxr h ALA 219 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1dxr h ALA 219 CO -0.33 0.55 0.00 1.15 0.00 0.00 0.00 179.25 180.63 1dxr h THR 220 N 0.47 1.26 -0.16 0.00 2.02 -0.53 -0.23 112.91 115.74 1dxr h THR 220 Ca 0.07 -1.01 -0.15 0.00 0.77 0.00 0.00 66.41 66.09 1dxr h THR 220 Cb 0.63 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1dxr h THR 220 CO 0.04 0.35 -0.52 0.40 0.37 0.00 0.00 175.52 176.16 1dxr h ILE 221 N 0.57 1.33 -0.55 3.11 1.08 -0.96 -2.49 117.51 119.61 1dxr h ILE 221 Ca 0.12 -1.76 -0.06 0.00 -0.39 0.00 0.00 64.86 62.77 1dxr h ILE 221 Cb 0.48 1.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 1dxr h ILE 221 CO 0.02 0.54 0.09 -0.07 -0.69 0.00 0.00 178.15 178.04 1dxr h LEU 222 N 0.36 0.82 -1.71 1.44 3.38 -1.24 -1.43 115.31 116.92 1dxr h LEU 222 Ca 0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1dxr h LEU 222 Cb 1.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1dxr h LEU 222 CO 0.09 0.83 -0.18 0.00 0.09 0.00 0.00 178.44 179.27 1dxr h ALA 223 N 1.28 1.50 -0.27 1.53 0.00 -0.61 -2.66 119.26 120.03 1dxr h ALA 223 Ca 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1dxr h ALA 223 Cb 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1dxr h ALA 223 CO 0.01 0.22 -0.01 1.33 0.00 0.00 0.00 179.25 180.80 1dxr n VAL 224 N -4.03 2.33 0.25 0.00 0.24 -1.01 -4.65 118.33 111.47 1dxr n VAL 224 Ca -0.02 -2.14 0.10 0.00 -2.04 0.00 0.00 64.34 60.24 1dxr n VAL 224 Cb 0.26 -0.27 0.64 0.00 -1.47 0.00 0.00 33.84 33.00 1dxr n VAL 224 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dxr h ALA 225 N 1.43 1.45 0.00 2.33 0.00 -0.89 -1.34 119.26 122.23 1dxr h ALA 225 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dxr h ALA 225 Cb 1.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1dxr h ALA 225 CO 0.26 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1dxr h ARG 226 N 0.00 0.00 -0.27 0.00 3.08 -1.82 -0.60 114.38 114.76 1dxr h ARG 226 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dxr h ARG 226 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1dxr h ARG 226 CO 0.02 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.11 1dxr n PHE 227 N -2.79 0.46 -1.99 3.04 3.72 -0.56 -4.97 117.46 114.38 1dxr n PHE 227 Ca -0.01 -0.57 -0.02 0.00 -0.05 0.00 0.00 57.45 56.79 1dxr n PHE 227 Cb 0.12 -0.08 -0.00 0.00 -0.94 0.00 0.00 39.48 38.58 1dxr n PHE 227 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dxr n GLY 228 N 0.15 0.29 0.28 1.37 0.00 -0.23 -4.47 105.19 102.58 1dxr n GLY 228 Ca 0.12 -0.80 0.18 0.00 0.00 0.00 0.00 46.02 45.52 1dxr n GLY 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dxr h GLY 229 N 0.00 0.00 2.00 -0.02 0.00 -1.59 -1.71 103.07 101.75 1dxr h GLY 229 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1dxr h GLY 229 CO 0.07 0.00 -0.14 1.29 0.00 0.00 0.00 176.54 177.75 1dxr h ASP 230 N 0.00 0.00 -0.82 0.19 2.03 -1.83 -3.34 116.42 112.66 1dxr h ASP 230 Ca 0.00 0.00 -0.73 0.00 -0.73 0.00 0.00 57.03 55.57 1dxr h ASP 230 Cb 0.27 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.66 1dxr h ASP 230 CO 0.00 0.14 2.47 0.54 -1.03 0.00 0.00 179.24 181.37 1dxr n ARG 231 N -3.52 3.28 0.16 4.15 1.74 -0.64 -4.76 116.66 117.07 1dxr n ARG 231 Ca -0.01 -3.14 0.01 0.00 -0.77 0.00 0.00 57.85 53.93 1dxr n ARG 231 Cb 0.29 -3.10 0.25 0.00 -1.02 0.00 0.00 32.46 28.88 1dxr n ARG 231 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1dxr h GLU 232 N 5.94 0.00 -0.39 5.56 5.08 -1.84 -2.72 114.58 126.21 1dxr h GLU 232 Ca 0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.79 1dxr h GLU 232 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1dxr h GLU 232 CO 1.72 0.52 0.11 0.82 -1.00 0.00 0.00 179.01 181.18 1dxr h ILE 233 N 0.00 1.22 0.00 3.13 1.08 -1.93 -0.60 117.51 120.40 1dxr h ILE 233 Ca -0.01 -0.74 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 1dxr h ILE 233 Cb 0.93 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.64 1dxr h ILE 233 CO 0.07 0.26 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.30 1dxr h GLU 234 N 0.49 0.00 0.00 2.37 3.07 -1.94 -2.09 114.58 116.48 1dxr h GLU 234 Ca 0.12 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.89 1dxr h GLU 234 Cb 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1dxr h GLU 234 CO -0.00 0.00 -0.44 1.96 -1.40 0.00 0.00 179.01 179.13 1dxr h GLN 235 N 0.00 0.00 0.10 2.33 1.08 -1.13 0.36 115.11 117.85 1dxr h GLN 235 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1dxr h GLN 235 Cb 0.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 1dxr h GLN 235 CO 0.00 0.44 -0.05 0.82 -0.95 0.00 0.00 178.83 179.09 1dxr h ILE 236 N 0.00 1.12 0.00 2.54 2.04 -0.47 -2.81 117.51 119.93 1dxr h ILE 236 Ca -0.00 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1dxr h ILE 236 Cb 0.84 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1dxr h ILE 236 CO 0.06 0.23 -0.13 0.71 0.00 0.00 0.00 178.15 179.01 1dxr h THR 237 N -0.59 0.00 -1.64 -0.27 1.35 -1.45 -3.39 112.91 106.92 1dxr h THR 237 Ca -0.01 -0.56 -0.33 0.00 -0.55 0.00 0.00 66.41 64.96 1dxr h THR 237 Cb 0.48 1.47 -0.27 0.00 -1.73 0.00 0.00 68.15 68.10 1dxr h THR 237 CO 0.02 0.00 -0.68 -0.62 -0.25 0.00 0.00 175.52 173.99 1dxr s ASP 238 N -4.71 0.06 -0.19 5.36 2.15 0.11 -5.08 116.67 114.37 1dxr s ASP 238 Ca 0.09 -2.00 -0.42 0.00 0.43 0.00 0.00 52.55 50.65 1dxr s ASP 238 Cb 0.12 0.88 -0.19 0.00 -0.30 0.00 0.00 42.92 43.42 1dxr s ASP 238 CO 0.63 -0.15 1.32 -1.14 -0.17 0.00 0.00 175.17 175.66 1dxr n ARG 239 N 3.39 0.16 -4.35 4.34 0.63 -1.06 -4.46 116.66 115.32 1dxr n ARG 239 Ca 0.19 0.06 -0.30 0.00 -0.92 0.00 0.00 57.85 56.88 1dxr n ARG 239 Cb 0.51 -1.58 -0.04 0.00 0.45 0.00 0.00 32.46 31.80 1dxr n ARG 239 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1dxr s GLY 240 N 1.31 2.72 0.54 5.14 0.00 -1.26 -5.01 107.32 110.76 1dxr s GLY 240 Ca 0.96 -0.77 0.29 0.00 0.00 0.00 0.00 44.72 45.19 1dxr s GLY 240 CO 0.66 -2.08 2.10 0.00 0.00 0.00 0.00 173.10 173.78 1dxr h THR 241 N 1.06 0.50 -0.08 0.90 1.03 -1.93 -2.09 112.91 112.30 1dxr h THR 241 Ca -0.41 -0.45 0.04 0.00 -0.01 0.00 0.00 66.41 65.58 1dxr h THR 241 Cb 1.31 1.30 -0.05 0.00 -1.07 0.00 0.00 68.15 69.65 1dxr h THR 241 CO 0.66 0.09 -0.19 0.00 -0.01 0.00 0.00 175.52 176.07 1dxr h ALA 242 N 1.90 -0.18 0.00 0.00 0.00 -1.89 -0.20 119.26 118.90 1dxr h ALA 242 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1dxr h ALA 242 Cb 0.29 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dxr h ALA 242 CO 0.01 -0.66 -0.67 1.33 0.00 0.00 0.00 179.25 179.26 1dxr n VAL 243 N -5.33 0.02 -0.07 0.00 0.24 -0.91 -1.58 118.33 110.70 1dxr n VAL 243 Ca -0.04 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.34 62.12 1dxr n VAL 243 Cb 0.24 0.42 -0.05 0.00 -1.47 0.00 0.00 33.84 32.98 1dxr n VAL 243 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1dxr h GLU 244 N 0.00 0.43 -0.30 7.34 5.08 -1.19 -0.51 114.58 125.43 1dxr h GLU 244 Ca 0.00 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 1dxr h GLU 244 Cb 0.52 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1dxr h GLU 244 CO 0.00 0.70 -0.48 0.00 -1.00 0.00 0.00 179.01 178.23 1dxr h ARG 245 N 0.14 0.81 -0.22 2.33 3.08 -1.01 -1.63 114.38 117.88 1dxr h ARG 245 Ca 0.05 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1dxr h ARG 245 Cb 0.56 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1dxr h ARG 245 CO 0.03 1.10 0.14 0.00 -1.07 0.00 0.00 179.97 180.17 1dxr h ALA 246 N 0.82 0.28 -0.80 0.04 0.00 -1.27 -0.22 119.26 118.10 1dxr h ALA 246 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1dxr h ALA 246 Cb 1.06 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1dxr h ALA 246 CO 0.11 -0.24 0.52 0.00 0.00 0.00 0.00 179.25 179.63 1dxr h ALA 247 N 1.07 1.03 -0.05 0.00 0.00 -0.99 -2.95 119.26 117.37 1dxr h ALA 247 Ca 0.08 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1dxr h ALA 247 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1dxr h ALA 247 CO -0.02 0.37 -0.69 -0.07 0.00 0.00 0.00 179.25 178.84 1dxr h LEU 248 N 1.03 0.29 -0.33 0.00 3.38 -1.00 -0.34 115.31 118.34 1dxr h LEU 248 Ca 0.31 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1dxr h LEU 248 Cb -0.04 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1dxr h LEU 248 CO -0.09 0.89 -0.08 0.15 0.09 0.00 0.00 178.44 179.39 1dxr h PHE 249 N 0.17 -0.18 -0.14 1.13 3.57 -0.92 0.14 116.94 120.71 1dxr h PHE 249 Ca -0.02 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.29 1dxr h PHE 249 Cb 1.23 0.13 0.01 0.00 2.79 0.00 0.00 35.95 40.11 1dxr h PHE 249 CO 0.03 -0.14 -0.78 -1.49 -2.23 0.00 0.00 178.31 173.69 1dxr h TRP 250 N 0.00 1.01 -0.76 0.41 4.06 -1.33 -2.04 115.95 117.30 1dxr h TRP 250 Ca 0.16 -0.45 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1dxr h TRP 250 Cb 0.24 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.21 1dxr h TRP 250 CO -0.31 1.27 0.49 -0.09 -3.56 0.00 0.00 178.44 176.24 1dxr h ARG 251 N 0.51 1.00 0.00 0.49 2.43 -0.93 0.24 114.38 118.12 1dxr h ARG 251 Ca -0.05 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 1dxr h ARG 251 Cb 1.40 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1dxr h ARG 251 CO 0.16 0.68 -0.42 -1.49 -1.51 0.00 0.00 179.97 177.39 1dxr h TRP 252 N 1.03 0.00 0.00 2.20 6.55 -0.92 0.24 115.95 125.05 1dxr h TRP 252 Ca 0.28 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.09 1dxr h TRP 252 Cb -0.10 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.20 1dxr h TRP 252 CO -0.02 0.42 -0.28 1.15 -1.05 0.00 0.00 178.44 178.66 1dxr h THR 253 N 0.00 0.33 -0.01 1.49 2.02 -0.59 -3.41 112.91 112.73 1dxr h THR 253 Ca -0.00 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1dxr h THR 253 Cb 0.95 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1dxr h THR 253 CO 0.05 0.11 -0.17 2.30 0.37 0.00 0.00 175.52 178.18 1dxr n ILE 254 N -4.67 0.00 -0.05 3.11 -5.35 0.77 -5.00 119.36 108.17 1dxr n ILE 254 Ca -0.07 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1dxr n ILE 254 Cb 0.21 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 1dxr n ILE 254 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dxr n GLY 255 N 0.99 0.90 3.50 3.28 0.00 0.84 -5.00 105.19 109.69 1dxr n GLY 255 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1dxr n GLY 255 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dxr s PHE 256 N -2.36 0.47 0.16 1.61 -0.71 -1.25 -4.92 117.98 110.98 1dxr s PHE 256 Ca 0.00 -0.81 -0.16 0.00 -1.04 0.00 0.00 56.93 54.92 1dxr s PHE 256 Cb 0.00 0.05 0.03 0.00 -1.21 0.00 0.00 43.02 41.89 1dxr s PHE 256 CO 0.00 -0.91 0.44 0.54 -1.34 0.00 0.00 175.22 173.96 1dxr s ASN 257 N -3.03 -0.22 0.43 1.98 4.22 -1.26 -3.25 114.94 113.81 1dxr s ASN 257 Ca 0.24 -0.45 0.07 0.00 -2.14 0.00 0.00 52.86 50.58 1dxr s ASN 257 Cb 0.01 0.52 0.07 0.00 1.28 0.00 0.00 41.25 43.13 1dxr s ASN 257 CO 0.08 -0.95 0.59 0.00 -2.04 0.00 0.00 177.10 174.79 1dxr n ALA 258 N -0.28 0.91 -2.23 3.54 0.00 -1.26 -5.05 120.51 116.15 1dxr n ALA 258 Ca -0.12 -1.55 -0.22 0.00 0.00 0.00 0.00 53.44 51.55 1dxr n ALA 258 Cb 0.63 0.42 -0.00 0.00 0.00 0.00 0.00 19.45 20.50 1dxr n ALA 258 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dxr s THR 259 N -1.65 2.27 0.26 0.00 -4.23 -1.26 -4.78 115.64 106.24 1dxr s THR 259 Ca 0.45 -1.30 0.21 0.00 -1.18 0.00 0.00 61.69 59.86 1dxr s THR 259 Cb -0.04 -2.58 0.18 0.00 1.34 0.00 0.00 72.50 71.41 1dxr s THR 259 CO 0.29 0.00 1.85 -0.29 -0.54 0.00 0.00 174.62 175.92 1dxr h ILE 260 N 0.76 0.81 0.01 2.99 6.09 -1.92 -1.55 117.51 124.69 1dxr h ILE 260 Ca -0.38 -1.16 -0.07 0.00 -1.37 0.00 0.00 64.86 61.88 1dxr h ILE 260 Cb 1.28 1.71 0.01 0.00 0.47 0.00 0.00 36.82 40.29 1dxr h ILE 260 CO 0.53 0.28 -0.28 -0.08 -3.07 0.00 0.00 178.15 175.53 1dxr h GLU 261 N 0.00 0.17 0.00 2.19 4.81 -1.93 -3.36 114.58 116.46 1dxr h GLU 261 Ca -0.00 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 1dxr h GLU 261 Cb 0.69 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1dxr h GLU 261 CO 0.04 0.96 -0.44 0.66 -0.73 0.00 0.00 179.01 179.50 1dxr h SER 262 N -0.52 0.00 0.17 1.04 4.64 -1.89 -1.78 113.55 115.20 1dxr h SER 262 Ca -0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1dxr h SER 262 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1dxr h SER 262 CO 0.05 0.44 -0.06 1.62 -0.87 0.00 0.00 176.83 178.01 1dxr h VAL 263 N 0.00 0.58 0.00 0.95 3.04 -1.43 0.89 116.25 120.27 1dxr h VAL 263 Ca -0.00 -0.27 -0.15 0.00 -1.01 0.00 0.00 66.70 65.27 1dxr h VAL 263 Cb 0.81 1.17 -0.02 0.00 -2.01 0.00 0.00 31.29 31.24 1dxr h VAL 263 CO 0.06 0.06 -0.70 0.45 -1.01 0.00 0.00 177.57 176.43 1dxr h HIS 264 N 0.00 0.00 -0.29 3.17 -0.00 -1.48 -0.74 115.15 115.81 1dxr h HIS 264 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 1dxr h HIS 264 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 1dxr h HIS 264 CO 0.00 0.70 -0.20 0.00 -0.00 0.00 0.00 177.93 178.43 1dxr h ARG 265 N 0.00 0.65 -0.76 2.45 3.08 -0.84 0.15 114.38 119.12 1dxr h ARG 265 Ca -0.01 -0.31 0.05 0.00 0.07 0.00 0.00 59.98 59.78 1dxr h ARG 265 Cb 1.38 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.37 1dxr h ARG 265 CO 0.09 0.91 0.46 -1.49 -1.07 0.00 0.00 179.97 178.87 1dxr h TRP 266 N 0.40 0.85 -0.28 3.04 4.06 -0.78 0.48 115.95 123.71 1dxr h TRP 266 Ca 0.06 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.96 1dxr h TRP 266 Cb 0.74 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 1dxr h TRP 266 CO 0.07 0.44 -0.09 0.78 -3.56 0.00 0.00 178.44 176.08 1dxr h GLY 267 N 0.86 0.60 1.01 1.49 0.00 -1.04 -0.75 103.07 105.25 1dxr h GLY 267 Ca 0.32 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1dxr h GLY 267 CO -0.15 0.47 0.45 -0.25 0.00 0.00 0.00 176.54 177.06 1dxr h TRP 268 N 0.31 0.95 -0.19 5.60 7.01 -0.70 -1.92 115.95 127.00 1dxr h TRP 268 Ca 0.07 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1dxr h TRP 268 Cb 0.59 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1dxr h TRP 268 CO 0.06 0.63 0.03 0.35 -2.79 0.00 0.00 178.44 176.72 1dxr h PHE 269 N 0.99 0.34 -0.95 2.65 3.57 -0.79 -1.06 116.94 121.69 1dxr h PHE 269 Ca 0.26 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1dxr h PHE 269 Cb -0.05 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 1dxr h PHE 269 CO -0.01 0.47 0.63 0.74 -2.23 0.00 0.00 178.31 177.91 1dxr h PHE 270 N 0.10 1.19 0.34 0.41 -1.00 -1.00 -0.75 116.94 116.23 1dxr h PHE 270 Ca 0.06 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 1dxr h PHE 270 Cb 0.32 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.48 1dxr h PHE 270 CO 0.02 0.74 -0.16 1.03 -1.61 0.00 0.00 178.31 178.33 1dxr h SER 271 N 1.28 -0.38 -0.73 2.17 0.87 -1.23 -2.43 113.55 113.09 1dxr h SER 271 Ca 0.35 -0.12 0.16 0.00 -1.23 0.00 0.00 61.79 60.96 1dxr h SER 271 Cb -0.13 0.10 -0.12 0.00 -0.44 0.00 0.00 62.40 61.81 1dxr h SER 271 CO -0.08 -0.10 0.09 0.25 -0.53 0.00 0.00 176.83 176.46 1dxr h LEU 272 N -0.68 -0.17 -1.27 2.23 5.85 -0.99 -2.43 115.31 117.84 1dxr h LEU 272 Ca -0.05 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1dxr h LEU 272 Cb 0.48 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1dxr h LEU 272 CO 0.08 -0.11 -0.10 0.24 -0.34 0.00 0.00 178.44 178.21 1dxr h MET 273 N 0.18 0.00 -0.58 1.25 2.86 -0.88 -0.01 114.93 117.75 1dxr h MET 273 Ca 0.41 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.09 1dxr h MET 273 Cb 0.71 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 1dxr h MET 273 CO -0.58 0.10 0.31 0.28 1.06 0.00 0.00 176.91 178.09 1dxr h VAL 274 N 0.00 0.98 0.15 -2.22 2.07 -0.95 -0.93 116.25 115.35 1dxr h VAL 274 Ca -0.00 -0.21 -0.32 0.00 0.82 0.00 0.00 66.70 66.99 1dxr h VAL 274 Cb 0.63 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1dxr h VAL 274 CO 0.01 0.11 -1.60 0.24 0.02 0.00 0.00 177.57 176.35 1dxr h MET 275 N 0.60 0.33 -0.21 1.57 2.07 -1.36 -2.65 114.93 115.27 1dxr h MET 275 Ca 0.25 -0.56 -0.00 0.00 -2.07 0.00 0.00 59.70 57.33 1dxr h MET 275 Cb 0.14 0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 1dxr h MET 275 CO -0.16 1.21 0.12 0.28 1.07 0.00 0.00 176.91 179.44 1dxr h VAL 276 N 0.09 1.09 -0.60 -2.22 2.07 -1.07 -1.66 116.25 113.95 1dxr h VAL 276 Ca -0.28 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1dxr h VAL 276 Cb 2.06 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1dxr h VAL 276 CO 0.18 0.09 0.24 0.28 0.02 0.00 0.00 177.57 178.38 1dxr h SER 277 N 0.24 0.82 -0.38 0.57 0.02 -1.25 -2.16 113.55 111.42 1dxr h SER 277 Ca 0.07 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1dxr h SER 277 Cb 0.04 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1dxr h SER 277 CO -0.01 0.76 0.25 0.00 -1.14 0.00 0.00 176.83 176.69 1dxr h ALA 278 N 1.09 0.49 -0.21 3.77 0.00 -1.40 -1.67 119.26 121.33 1dxr h ALA 278 Ca 0.20 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1dxr h ALA 278 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1dxr h ALA 278 CO -0.02 -0.06 0.06 0.77 0.00 0.00 0.00 179.25 180.01 1dxr h SER 279 N 0.52 0.07 -0.77 0.00 0.02 -0.97 -0.97 113.55 111.44 1dxr h SER 279 Ca 0.14 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1dxr h SER 279 Cb -0.06 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1dxr h SER 279 CO -0.03 0.07 0.50 0.58 -1.14 0.00 0.00 176.83 176.80 1dxr h VAL 280 N 0.16 1.15 -0.72 2.27 2.07 -1.22 0.11 116.25 120.07 1dxr h VAL 280 Ca 0.09 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1dxr h VAL 280 Cb 0.06 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1dxr h VAL 280 CO -0.10 0.18 0.48 1.23 0.02 0.00 0.00 177.57 179.38 1dxr h GLY 281 N 0.99 1.01 1.33 2.17 0.00 -0.92 -1.36 103.07 106.29 1dxr h GLY 281 Ca 0.30 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 1dxr h GLY 281 CO -0.09 0.37 -0.39 -2.22 0.00 0.00 0.00 176.54 174.21 1dxr h ILE 282 N 0.98 1.29 -0.32 2.60 1.08 -0.57 -2.49 117.51 120.07 1dxr h ILE 282 Ca 0.26 -1.56 -0.08 0.00 -0.39 0.00 0.00 64.86 63.09 1dxr h ILE 282 Cb -0.11 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 1dxr h ILE 282 CO -0.06 0.51 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.72 1dxr h LEU 283 N 0.61 0.54 -0.57 1.44 3.38 -0.35 -2.78 115.31 117.58 1dxr h LEU 283 Ca 0.05 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1dxr h LEU 283 Cb 0.94 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1dxr h LEU 283 CO 0.09 0.69 -0.65 -0.07 0.09 0.00 0.00 178.44 178.59 1dxr h LEU 284 N 0.51 0.00 -9.37 1.67 3.38 -1.23 -3.40 115.31 106.88 1dxr h LEU 284 Ca 0.09 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.52 1dxr h LEU 284 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1dxr h LEU 284 CO 0.03 0.65 0.83 -0.89 0.09 0.00 0.00 178.44 179.15 1dxr s THR 285 N -3.36 3.74 0.00 0.22 2.01 -0.94 -1.34 115.64 115.96 1dxr s THR 285 Ca -0.00 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1dxr s THR 285 Cb 0.11 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.91 1dxr s THR 285 CO 0.76 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.30 1dxr n GLY 286 N 3.64 1.83 0.20 4.40 0.00 0.86 -4.68 105.19 111.43 1dxr n GLY 286 Ca 0.13 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1dxr n GLY 286 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1dxr h THR 287 N 0.00 0.70 0.00 2.61 2.02 -1.77 -3.41 112.91 113.05 1dxr h THR 287 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1dxr h THR 287 Cb 0.00 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1dxr h THR 287 CO 0.00 0.07 -0.11 0.49 0.37 0.00 0.00 175.52 176.35 1dxr n PHE 288 N -5.20 0.00 -4.32 3.16 3.72 -0.45 -5.00 117.46 109.37 1dxr n PHE 288 Ca -0.10 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.09 1dxr n PHE 288 Cb 0.24 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.62 1dxr n PHE 288 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1dxr s VAL 289 N -0.74 0.72 -0.18 -4.37 1.01 -0.97 -5.04 120.40 110.84 1dxr s VAL 289 Ca 0.00 -0.27 0.12 0.00 0.00 0.00 0.00 61.98 61.83 1dxr s VAL 289 Cb 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 36.38 35.50 1dxr s VAL 289 CO 0.00 0.25 0.01 -0.67 0.00 0.00 0.00 175.10 174.69 1dxr n ASP 290 N 3.68 1.15 -3.51 3.32 2.03 -1.26 -0.10 116.55 121.86 1dxr n ASP 290 Ca -0.22 -0.02 -0.26 0.00 0.52 0.00 0.00 54.79 54.81 1dxr n ASP 290 Cb 0.52 0.65 -0.14 0.00 -0.72 0.00 0.00 41.12 41.44 1dxr n ASP 290 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1dxr s ASN 291 N -5.28 2.90 0.32 1.67 3.84 -1.26 -4.19 114.94 112.95 1dxr s ASN 291 Ca -0.13 -1.05 0.01 0.00 0.21 0.00 0.00 52.86 51.90 1dxr s ASN 291 Cb 0.06 -0.12 0.53 0.00 -0.55 0.00 0.00 41.25 41.17 1dxr s ASN 291 CO 0.65 -0.41 1.93 -0.50 -2.79 0.00 0.00 177.10 175.97 1dxr h TRP 292 N 8.37 0.81 -0.36 0.43 4.06 -1.25 0.13 115.95 128.15 1dxr h TRP 292 Ca -0.18 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.73 1dxr h TRP 292 Cb 1.05 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.93 1dxr h TRP 292 CO 0.27 0.60 0.17 -0.92 -3.56 0.00 0.00 178.44 174.99 1dxr h TYR 293 N 0.82 0.52 -0.23 0.49 3.20 -1.31 -1.39 116.97 119.08 1dxr h TYR 293 Ca 0.20 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 1dxr h TYR 293 Cb 0.08 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1dxr h TYR 293 CO 0.01 0.45 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.62 1dxr h LEU 294 N 0.44 0.46 -0.91 2.82 3.38 -1.71 0.11 115.31 119.90 1dxr h LEU 294 Ca 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1dxr h LEU 294 Cb 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1dxr h LEU 294 CO -0.01 0.74 0.58 -0.25 0.09 0.00 0.00 178.44 179.58 1dxr h TRP 295 N 0.39 1.16 -0.37 1.13 7.01 -0.72 0.30 115.95 124.84 1dxr h TRP 295 Ca 0.05 0.02 -0.16 0.00 2.11 0.00 0.00 58.89 60.91 1dxr h TRP 295 Cb 0.71 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1dxr h TRP 295 CO 0.02 0.75 -0.38 0.00 -2.79 0.00 0.00 178.44 176.03 1dxr h VAL 297 N 0.73 1.25 -0.69 0.00 2.07 -0.41 0.86 116.25 120.07 1dxr h VAL 297 Ca 0.06 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1dxr h VAL 297 Cb 0.97 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1dxr h VAL 297 CO 0.09 0.27 0.46 0.50 0.02 0.00 0.00 177.57 178.91 1dxr h LYS 298 N 1.19 0.90 -0.68 1.57 3.64 -0.17 -1.53 116.57 121.50 1dxr h LYS 298 Ca 0.30 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1dxr h LYS 298 Cb 0.00 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1dxr h LYS 298 CO -0.05 0.60 0.00 0.72 -2.27 0.00 0.00 179.45 178.45 1dxr n HIS 299 N -4.43 1.20 -0.99 1.91 8.25 -0.79 -4.95 115.22 115.42 1dxr n HIS 299 Ca 0.07 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 1dxr n HIS 299 Cb 0.04 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.03 1dxr n HIS 299 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dxr n GLY 300 N 1.37 0.54 0.08 -1.41 0.00 -0.51 -4.94 105.19 100.32 1dxr n GLY 300 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 1dxr n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxr h ALA 301 N 0.00 0.58 -2.76 4.61 0.00 -1.12 -3.48 119.26 117.10 1dxr h ALA 301 Ca 0.00 -1.12 -0.53 0.00 0.00 0.00 0.00 54.91 53.26 1dxr h ALA 301 Cb 0.09 0.16 0.05 0.00 0.00 0.00 0.00 17.79 18.10 1dxr h ALA 301 CO 0.00 1.33 0.73 0.00 0.00 0.00 0.00 179.25 181.31 1dxr s ALA 302 N -2.69 3.59 0.68 0.00 0.00 -1.22 -5.01 121.76 117.11 1dxr s ALA 302 Ca -0.02 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 1dxr s ALA 302 Cb 0.09 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1dxr s ALA 302 CO 0.82 -0.70 1.05 -1.25 0.00 0.00 0.00 175.76 175.68 1dxr s PRO 303 N -0.54 3.07 0.03 0.00 0.04 -1.26 -4.97 135.00 131.37 1dxr s PRO 303 Ca 0.57 0.92 -0.00 0.00 0.04 0.00 0.00 61.00 62.53 1dxr s PRO 303 Cb -0.41 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1dxr s PRO 303 CO 0.44 -0.99 -0.03 0.34 0.04 0.00 0.00 177.00 176.80 1dxr s ASP 304 N -3.85 0.34 0.08 6.66 2.15 -1.26 -5.15 116.67 115.65 1dxr s ASP 304 Ca 0.58 -0.67 0.03 0.00 0.43 0.00 0.00 52.55 52.92 1dxr s ASP 304 Cb -0.13 0.13 -0.03 0.00 -0.30 0.00 0.00 42.92 42.58 1dxr s ASP 304 CO 0.54 -0.40 -0.09 -0.31 -0.17 0.00 0.00 175.17 174.75 1dxr s TYR 305 N -2.27 0.92 0.82 -5.34 2.02 -1.26 -5.14 117.35 107.10 1dxr s TYR 305 Ca -0.08 -0.64 -0.14 0.00 -0.37 0.00 0.00 57.07 55.84 1dxr s TYR 305 Cb -0.04 -0.52 0.05 0.00 -0.40 0.00 0.00 41.96 41.05 1dxr s TYR 305 CO -0.04 -0.05 0.90 -2.30 -1.57 0.00 0.00 175.55 172.49 1dxr n PRO 306 N 0.79 0.08 -2.55 -1.71 -0.02 -1.26 -4.98 135.00 125.35 1dxr n PRO 306 Ca -0.18 0.09 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 1dxr n PRO 306 Cb 0.57 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 1dxr n PRO 306 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dxr s ALA 307 N -2.15 2.96 -0.05 3.55 0.00 -1.26 -4.97 121.76 119.83 1dxr s ALA 307 Ca 0.68 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 53.20 1dxr s ALA 307 Cb -0.29 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1dxr s ALA 307 CO 0.56 -0.27 -0.18 0.98 0.00 0.00 0.00 175.76 176.85 1dxr n TYR 308 N -0.62 0.00 -2.20 0.00 9.36 -1.26 -4.96 117.16 117.48 1dxr n TYR 308 Ca 0.08 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.00 1dxr n TYR 308 Cb 0.51 -0.28 0.01 0.00 -0.63 0.00 0.00 39.34 38.95 1dxr n TYR 308 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1dxr s LEU 309 N -7.38 3.34 0.27 2.98 1.43 -1.26 -5.00 118.68 113.06 1dxr s LEU 309 Ca -0.15 1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 53.79 1dxr s LEU 309 Cb 0.03 -4.10 -0.14 0.00 0.03 0.00 0.00 46.19 42.01 1dxr s LEU 309 CO 0.22 -0.84 1.17 -2.65 0.23 0.00 0.00 176.35 174.49 1dxr n PRO 310 N -2.58 1.61 -1.72 1.29 -0.02 -1.26 -4.90 135.00 127.41 1dxr n PRO 310 Ca 0.04 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 1dxr n PRO 310 Cb 0.55 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 1dxr n PRO 310 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dxr n ALA 311 N 0.79 1.62 -3.96 3.55 0.00 -1.26 -4.96 120.51 116.28 1dxr n ALA 311 Ca 0.10 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.59 1dxr n ALA 311 Cb 0.31 -2.31 -0.15 0.00 0.00 0.00 0.00 19.45 17.30 1dxr n ALA 311 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dxr s THR 312 N -0.95 1.86 0.41 0.00 2.01 -1.26 -5.10 115.64 112.61 1dxr s THR 312 Ca 0.56 -1.80 -0.26 0.00 0.31 0.00 0.00 61.69 60.51 1dxr s THR 312 Cb -0.55 -2.24 -0.10 0.00 0.01 0.00 0.00 72.50 69.62 1dxr s THR 312 CO 0.61 -0.39 1.24 -2.65 -0.69 0.00 0.00 174.62 172.74 1dxr n PRO 313 N 4.48 1.88 -1.67 4.92 -0.02 -1.26 -4.91 135.00 138.42 1dxr n PRO 313 Ca -0.04 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 1dxr n PRO 313 Cb 0.42 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1dxr n PRO 313 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1dxr s ASP 314 N -0.53 6.21 0.41 2.55 -1.08 -1.26 -4.85 116.67 118.11 1dxr s ASP 314 Ca 0.61 2.45 0.14 0.00 -0.52 0.00 0.00 52.55 55.23 1dxr s ASP 314 Cb -0.52 -2.53 0.86 0.00 -1.46 0.00 0.00 42.92 39.27 1dxr s ASP 314 CO 0.58 -1.28 1.90 -0.65 0.52 0.00 0.00 175.17 176.24 1dxr h PRO 315 N 11.68 0.00 0.00 4.34 0.11 -1.98 -2.01 132.00 144.14 1dxr h PRO 315 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1dxr h PRO 315 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1dxr h PRO 315 CO 0.95 0.29 -0.04 0.00 -0.21 0.00 0.00 178.00 178.99 1dxr h ALA 316 N 1.71 1.40 -0.01 -0.75 0.00 -1.90 -0.73 119.26 118.98 1dxr h ALA 316 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1dxr h ALA 316 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1dxr h ALA 316 CO 0.04 0.05 -0.41 -1.13 0.00 0.00 0.00 179.25 177.80 1dxr n SER 317 N -3.71 0.96 -4.75 0.00 3.41 -0.76 -4.75 113.62 104.02 1dxr n SER 317 Ca -0.03 -0.76 -0.37 0.00 -0.26 0.00 0.00 58.87 57.46 1dxr n SER 317 Cb 0.13 0.27 0.05 0.00 -0.26 0.00 0.00 64.21 64.40 1dxr n SER 317 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dxr s LEU 318 N -2.69 3.67 -0.39 1.04 1.43 -0.28 -4.88 118.68 116.57 1dxr s LEU 318 Ca 0.18 2.52 -0.35 0.00 -1.03 0.00 0.00 54.13 55.45 1dxr s LEU 318 Cb 0.18 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.73 1dxr s LEU 318 CO 0.61 -1.72 2.21 -0.81 0.23 0.00 0.00 176.35 176.88 1dxr n PRO 319 N -1.59 0.93 -0.88 1.29 -0.04 -1.26 -2.55 135.00 130.90 1dxr n PRO 319 Ca 0.14 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1dxr n PRO 319 Cb 0.48 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1dxr n PRO 319 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dxr n GLY 320 N 6.62 0.54 3.75 0.55 0.00 -1.26 -5.01 105.19 110.38 1dxr n GLY 320 Ca 0.43 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 1dxr n GLY 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxr s ALA 321 N -2.00 3.76 1.25 4.61 0.00 -1.06 -5.00 121.76 123.32 1dxr s ALA 321 Ca 0.00 1.57 -0.18 0.00 0.00 0.00 0.00 51.96 53.36 1dxr s ALA 321 Cb 0.00 -3.65 0.27 0.00 0.00 0.00 0.00 23.12 19.74 1dxr s ALA 321 CO 0.00 -0.98 0.67 -0.35 0.00 0.00 0.00 175.76 175.10 1dxr n PRO 322 N 2.26 -3.12 0.00 0.00 -0.04 -1.26 -4.99 135.00 127.85 1dxr n PRO 322 Ca 0.09 -0.91 0.15 0.00 -0.04 0.00 0.00 63.50 62.78 1dxr n PRO 322 Cb 0.37 -1.90 0.87 0.00 -0.04 0.00 0.00 33.50 32.80 1dxr n PRO 322 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63