#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm3 s LEU 4 N 0.00 4.05 -0.10 -3.43 2.96 -1.25 -5.14 118.68 115.77 1xm3 s LEU 4 Ca 0.00 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1xm3 s LEU 4 Cb 0.00 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.36 1xm3 s LEU 4 CO 0.00 -0.14 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.92 1xm3 s THR 5 N 1.90 1.03 -0.10 3.68 2.01 -1.26 -0.51 115.64 122.40 1xm3 s THR 5 Ca 0.13 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1xm3 s THR 5 Cb -0.16 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.35 1xm3 s THR 5 CO 0.10 0.36 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.64 1xm3 s ILE 6 N 1.37 1.20 -1.67 1.82 1.01 0.65 -4.67 121.20 120.91 1xm3 s ILE 6 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1xm3 s ILE 6 Cb -0.14 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.19 1xm3 s ILE 6 CO -0.04 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1xm3 n GLY 7 N 4.43 -0.50 1.40 6.18 0.00 -1.26 -1.58 105.19 113.86 1xm3 n GLY 7 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1xm3 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xm3 n GLY 8 N -0.98 1.74 3.83 -0.02 0.00 -1.26 -5.04 105.19 103.45 1xm3 n GLY 8 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1xm3 n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xm3 s LYS 9 N -0.57 3.73 0.13 1.61 2.47 -0.61 -5.09 119.74 121.42 1xm3 s LYS 9 Ca 0.00 -0.05 0.03 0.00 -1.56 0.00 0.00 55.97 54.39 1xm3 s LYS 9 Cb 0.00 -3.26 -0.04 0.00 -1.46 0.00 0.00 37.83 33.07 1xm3 s LYS 9 CO 0.00 0.62 0.20 -1.12 0.16 0.00 0.00 175.35 175.22 1xm3 s SER 10 N -0.62 6.00 -0.03 1.43 0.01 -1.26 -0.25 113.70 118.98 1xm3 s SER 10 Ca 0.15 0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.50 1xm3 s SER 10 Cb -0.13 -1.72 0.01 0.00 0.21 0.00 0.00 66.02 64.39 1xm3 s SER 10 CO 0.04 0.09 -0.06 -0.36 0.41 0.00 0.00 173.24 173.36 1xm3 s PHE 11 N -1.67 0.69 0.23 2.43 0.08 0.34 -4.98 117.98 115.10 1xm3 s PHE 11 Ca 0.33 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.25 1xm3 s PHE 11 Cb -0.11 -0.55 0.25 0.00 -0.57 0.00 0.00 43.02 42.04 1xm3 s PHE 11 CO 0.26 -0.11 1.56 1.96 -0.10 0.00 0.00 175.22 178.80 1xm3 h GLN 12 N 6.63 0.28 -5.35 0.44 1.08 -1.96 -3.32 115.11 112.92 1xm3 h GLN 12 Ca -0.35 -0.18 -0.62 0.00 -1.45 0.00 0.00 58.65 56.05 1xm3 h GLN 12 Cb 1.17 0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 28.50 1xm3 h GLN 12 CO 0.49 0.78 -0.51 0.45 -0.95 0.00 0.00 178.83 179.09 1xm3 s SER 13 N -6.90 6.10 0.00 1.46 0.15 -1.26 -4.96 113.70 108.29 1xm3 s SER 13 Ca -0.04 0.24 0.18 0.00 0.70 0.00 0.00 55.95 57.02 1xm3 s SER 13 Cb 0.12 -2.05 0.52 0.00 -1.71 0.00 0.00 66.02 62.90 1xm3 s SER 13 CO 0.80 0.22 1.42 0.54 1.20 0.00 0.00 173.24 177.42 1xm3 n ARG 14 N 3.25 2.07 -3.59 5.44 1.74 -1.26 -4.63 116.66 119.68 1xm3 n ARG 14 Ca -0.17 -1.64 -0.40 0.00 -0.77 0.00 0.00 57.85 54.87 1xm3 n ARG 14 Cb 0.53 -1.40 -0.11 0.00 -1.02 0.00 0.00 32.46 30.45 1xm3 n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1xm3 s LEU 15 N -1.25 4.45 -0.20 0.55 2.96 -1.26 -1.50 118.68 122.43 1xm3 s LEU 15 Ca 0.33 -0.65 -0.15 0.00 -0.22 0.00 0.00 54.13 53.44 1xm3 s LEU 15 Cb 0.18 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1xm3 s LEU 15 CO 0.25 -0.27 0.37 -0.76 -1.32 0.00 0.00 176.35 174.62 1xm3 s LEU 16 N 1.63 4.16 -0.12 -0.68 1.02 0.19 -4.22 118.68 120.65 1xm3 s LEU 16 Ca 0.04 0.48 -0.01 0.00 0.02 0.00 0.00 54.13 54.66 1xm3 s LEU 16 Cb -0.18 -2.47 -0.02 0.00 0.02 0.00 0.00 46.19 43.53 1xm3 s LEU 16 CO 0.08 -0.06 -0.08 -0.22 0.02 0.00 0.00 176.35 176.09 1xm3 s LEU 17 N 1.25 3.05 0.49 1.79 2.96 -0.83 -0.83 118.68 126.57 1xm3 s LEU 17 Ca 0.18 -0.17 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 1xm3 s LEU 17 Cb -0.15 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1xm3 s LEU 17 CO 0.07 0.22 0.86 -0.83 -1.32 0.00 0.00 176.35 175.35 1xm3 s GLY 18 N 0.05 1.74 0.05 7.98 0.00 0.81 -1.10 107.32 116.84 1xm3 s GLY 18 Ca -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 44.72 44.46 1xm3 s GLY 18 CO 0.03 -0.03 -0.04 -0.51 0.00 0.00 0.00 173.10 172.55 1xm3 s THR 19 N -2.70 0.29 0.00 0.90 -4.23 -0.48 -4.85 115.64 104.57 1xm3 s THR 19 Ca 0.52 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1xm3 s THR 19 Cb -0.10 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.57 1xm3 s THR 19 CO 0.41 -0.81 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1xm3 n GLY 20 N 0.56 0.71 1.10 3.99 0.00 -1.26 -4.56 105.19 105.72 1xm3 n GLY 20 Ca -0.17 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.81 1xm3 n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xm3 n LYS 21 N 0.00 2.47 -2.15 1.61 4.01 -1.26 -5.02 118.16 117.82 1xm3 n LYS 21 Ca 0.00 -3.00 -0.32 0.00 -0.51 0.00 0.00 58.31 54.49 1xm3 n LYS 21 Cb 0.00 -1.86 -0.01 0.00 -0.51 0.00 0.00 35.03 32.64 1xm3 n LYS 21 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1xm3 s TYR 22 N -3.03 3.54 0.48 2.13 2.02 -1.26 -4.71 117.35 116.51 1xm3 s TYR 22 Ca 0.44 1.38 0.14 0.00 -0.37 0.00 0.00 57.07 58.66 1xm3 s TYR 22 Cb 0.38 -2.75 1.11 0.00 -0.40 0.00 0.00 41.96 40.29 1xm3 s TYR 22 CO 0.05 -0.52 2.07 -1.35 -1.57 0.00 0.00 175.55 174.24 1xm3 h PRO 23 N 0.33 0.07 -3.07 -1.71 0.11 -1.96 -3.45 132.00 122.31 1xm3 h PRO 23 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1xm3 h PRO 23 Cb 1.19 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.17 1xm3 h PRO 23 CO 0.62 0.12 0.16 -1.54 -0.21 0.00 0.00 178.00 177.15 1xm3 s SER 24 N -7.00 -0.47 0.31 -2.05 1.04 -1.26 -5.04 113.70 99.23 1xm3 s SER 24 Ca -0.05 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.27 1xm3 s SER 24 Cb 0.16 0.60 0.50 0.00 0.10 0.00 0.00 66.02 67.39 1xm3 s SER 24 CO 0.69 -1.01 1.77 -0.26 0.98 0.00 0.00 173.24 175.41 1xm3 h PHE 25 N 2.06 0.46 -0.15 5.02 0.04 -1.95 -0.74 116.94 121.68 1xm3 h PHE 25 Ca -0.32 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.36 1xm3 h PHE 25 Cb 1.29 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 1xm3 h PHE 25 CO 0.28 0.61 0.06 -0.44 -0.60 0.00 0.00 178.31 178.22 1xm3 h ASP 26 N 0.37 0.21 -0.65 2.17 3.32 -1.96 0.59 116.42 120.48 1xm3 h ASP 26 Ca 0.06 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1xm3 h ASP 26 Cb 0.59 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1xm3 h ASP 26 CO 0.04 0.32 0.25 0.40 -1.72 0.00 0.00 179.24 178.53 1xm3 h ILE 27 N 0.09 1.24 -0.14 0.35 2.04 -1.92 -1.75 117.51 117.41 1xm3 h ILE 27 Ca 0.05 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1xm3 h ILE 27 Cb 0.17 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1xm3 h ILE 27 CO -0.00 0.30 0.09 -0.61 0.00 0.00 0.00 178.15 177.92 1xm3 h GLN 28 N 0.92 0.17 -0.95 2.37 4.15 -0.86 0.54 115.11 121.46 1xm3 h GLN 28 Ca 0.22 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1xm3 h GLN 28 Cb 0.23 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.83 1xm3 h GLN 28 CO -0.02 0.11 0.57 -0.22 -1.93 0.00 0.00 178.83 177.35 1xm3 h LYS 29 N 0.18 1.28 -0.38 1.69 3.64 -0.71 0.06 116.57 122.33 1xm3 h LYS 29 Ca 0.05 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1xm3 h LYS 29 Cb -0.01 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1xm3 h LYS 29 CO -0.02 0.89 0.04 1.49 -2.27 0.00 0.00 179.45 179.58 1xm3 h GLU 30 N 1.30 0.64 -0.19 1.90 4.57 -0.97 -1.94 114.58 119.89 1xm3 h GLU 30 Ca 0.34 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1xm3 h GLU 30 Cb -0.06 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1xm3 h GLU 30 CO -0.06 0.72 0.10 0.00 -1.18 0.00 0.00 179.01 178.58 1xm3 h ALA 31 N 0.90 0.25 -0.67 2.92 0.00 -0.46 -1.12 119.26 121.08 1xm3 h ALA 31 Ca 0.11 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1xm3 h ALA 31 Cb 0.41 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1xm3 h ALA 31 CO 0.01 -0.20 0.35 0.28 0.00 0.00 0.00 179.25 179.69 1xm3 h VAL 32 N 0.19 0.91 0.42 0.00 2.07 -0.93 -1.01 116.25 117.90 1xm3 h VAL 32 Ca 0.07 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1xm3 h VAL 32 Cb 0.10 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1xm3 h VAL 32 CO -0.01 0.11 -0.20 0.00 0.02 0.00 0.00 177.57 177.49 1xm3 h ALA 33 N 1.38 -0.56 0.00 1.67 0.00 -1.02 -2.88 119.26 117.84 1xm3 h ALA 33 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xm3 h ALA 33 Cb 0.26 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xm3 h ALA 33 CO -0.22 -0.74 0.00 -0.39 0.00 0.00 0.00 179.25 177.90 1xm3 h VAL 34 N -0.71 0.00 0.00 0.00 -1.51 -1.04 -1.90 116.25 111.09 1xm3 h VAL 34 Ca -0.06 -0.21 -0.13 0.00 -1.23 0.00 0.00 66.70 65.08 1xm3 h VAL 34 Cb 0.51 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.61 1xm3 h VAL 34 CO 0.09 0.00 -0.63 0.77 -1.23 0.00 0.00 177.57 176.57 1xm3 h SER 35 N 0.00 0.00 -0.78 4.19 4.64 -1.01 -3.41 113.55 117.19 1xm3 h SER 35 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1xm3 h SER 35 Cb 0.26 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.22 1xm3 h SER 35 CO 0.00 0.60 -0.30 -0.62 -0.87 0.00 0.00 176.83 175.64 1xm3 n GLU 36 N -3.24 -1.26 -2.04 4.77 1.02 -0.72 -4.74 120.64 114.44 1xm3 n GLU 36 Ca 0.01 1.07 -0.37 0.00 -0.02 0.00 0.00 57.16 57.85 1xm3 n GLU 36 Cb 0.78 -5.31 0.02 0.00 -0.02 0.00 0.00 31.44 26.90 1xm3 n GLU 36 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xm3 s SER 37 N -2.75 5.69 -0.02 1.62 0.15 -1.26 -4.62 113.70 112.51 1xm3 s SER 37 Ca 0.00 2.50 0.16 0.00 0.70 0.00 0.00 55.95 59.32 1xm3 s SER 37 Cb 0.00 -2.62 -0.25 0.00 -1.71 0.00 0.00 66.02 61.45 1xm3 s SER 37 CO 0.00 -1.26 0.38 0.47 1.20 0.00 0.00 173.24 174.03 1xm3 n ASP 38 N -0.83 1.24 -4.20 5.45 8.00 -1.26 -4.91 116.55 120.04 1xm3 n ASP 38 Ca 0.09 -0.06 -0.34 0.00 0.71 0.00 0.00 54.79 55.20 1xm3 n ASP 38 Cb 0.47 1.70 -0.15 0.00 -0.02 0.00 0.00 41.12 43.11 1xm3 n ASP 38 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xm3 s ILE 39 N -3.09 2.56 -0.13 0.53 1.01 -1.26 -1.01 121.20 119.80 1xm3 s ILE 39 Ca -0.05 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 1xm3 s ILE 39 Cb 0.11 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1xm3 s ILE 39 CO 0.68 0.50 -0.06 -0.76 0.00 0.00 0.00 174.94 175.30 1xm3 s LEU 40 N 1.25 3.17 0.16 2.97 1.43 -0.63 -1.97 118.68 125.07 1xm3 s LEU 40 Ca 0.03 -0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.09 1xm3 s LEU 40 Cb -0.14 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1xm3 s LEU 40 CO -0.08 0.21 -0.14 0.28 0.23 0.00 0.00 176.35 176.86 1xm3 s THR 41 N 0.12 3.00 -0.02 5.49 -1.32 -0.26 -0.50 115.64 122.15 1xm3 s THR 41 Ca -0.02 -1.65 -0.29 0.00 -1.21 0.00 0.00 61.69 58.52 1xm3 s THR 41 Cb -0.14 -2.45 0.08 0.00 -1.51 0.00 0.00 72.50 68.48 1xm3 s THR 41 CO 0.03 -0.05 0.74 0.72 -2.21 0.00 0.00 174.62 173.85 1xm3 s PHE 42 N -1.54 -0.55 -0.63 9.09 -0.71 -1.17 -1.38 117.98 121.09 1xm3 s PHE 42 Ca 0.22 0.79 -0.27 0.00 -1.04 0.00 0.00 56.93 56.63 1xm3 s PHE 42 Cb -0.09 0.46 0.03 0.00 -1.21 0.00 0.00 43.02 42.21 1xm3 s PHE 42 CO 0.13 -0.61 1.17 0.00 -1.34 0.00 0.00 175.22 174.57 1xm3 s ALA 43 N -1.91 2.96 0.19 1.99 0.00 -1.26 -0.63 121.76 123.09 1xm3 s ALA 43 Ca -0.05 -1.10 -0.20 0.00 0.00 0.00 0.00 51.96 50.60 1xm3 s ALA 43 Cb -0.00 -4.05 0.13 0.00 0.00 0.00 0.00 23.12 19.20 1xm3 s ALA 43 CO 0.02 -2.81 1.59 0.28 0.00 0.00 0.00 175.76 174.84 1xm3 h VAL 44 N 6.09 0.20 -0.81 0.00 2.07 -1.86 -2.27 116.25 119.67 1xm3 h VAL 44 Ca -0.26 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.45 1xm3 h VAL 44 Cb 1.06 0.20 -0.14 0.00 -1.52 0.00 0.00 31.29 30.89 1xm3 h VAL 44 CO 1.20 0.00 0.07 0.03 0.02 0.00 0.00 177.57 178.88 1xm3 h ARG 45 N -0.16 0.12 -5.79 1.57 3.08 -1.82 -3.44 114.38 107.94 1xm3 h ARG 45 Ca 0.23 -0.01 -0.66 0.00 0.07 0.00 0.00 59.98 59.61 1xm3 h ARG 45 Cb 0.54 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.46 1xm3 h ARG 45 CO -0.65 0.08 1.84 1.03 -1.07 0.00 0.00 179.97 181.20 1xm3 s ARG 46 N -6.06 3.86 -0.06 0.04 0.52 -0.86 -4.69 118.95 111.70 1xm3 s ARG 46 Ca -0.13 -1.77 -0.22 0.00 -0.52 0.00 0.00 55.73 53.09 1xm3 s ARG 46 Cb 0.24 -5.41 -0.30 0.00 0.52 0.00 0.00 34.95 30.00 1xm3 s ARG 46 CO 0.76 -2.17 0.85 -2.95 0.02 0.00 0.00 175.30 171.81 1xm3 h ASN 48 N 8.28 0.40 0.00 0.23 -1.07 -1.99 -3.48 115.58 117.96 1xm3 h ASN 48 Ca 0.35 -0.95 0.00 0.00 0.07 0.00 0.00 56.30 55.77 1xm3 h ASN 48 Cb 0.92 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 37.04 1xm3 h ASN 48 CO 1.41 1.36 0.31 0.16 0.07 0.00 0.00 177.43 180.74 1xm3 h ILE 49 N -0.45 0.00 0.06 6.14 3.07 -1.94 -3.56 117.51 120.82 1xm3 h ILE 49 Ca -0.14 0.00 -0.36 0.00 1.55 0.00 0.00 64.86 65.92 1xm3 h ILE 49 Cb 1.57 0.62 -0.04 0.00 -0.27 0.00 0.00 36.82 38.71 1xm3 h ILE 49 CO 0.12 0.00 -2.02 0.33 -1.05 0.00 0.00 178.15 175.53 1xm3 n PHE 50 N -2.77 0.78 0.00 0.16 7.35 -1.26 -5.14 117.46 116.58 1xm3 n PHE 50 Ca -0.02 0.21 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 1xm3 n PHE 50 Cb 0.35 -1.10 0.00 0.00 0.35 0.00 0.00 39.48 39.09 1xm3 n PHE 50 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1xm3 n LEU 58 N -3.72 0.00 -4.52 -2.13 7.94 -1.26 -5.15 117.00 108.16 1xm3 n LEU 58 Ca -0.38 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.24 1xm3 n LEU 58 Cb 0.94 0.00 0.24 0.00 0.53 0.00 0.00 43.42 45.13 1xm3 n LEU 58 CO 0.29 0.00 0.54 -1.61 -1.11 0.00 0.00 177.39 175.51 1xm3 s GLU 59 N -0.61 -0.66 0.00 1.96 2.02 -1.26 -3.69 118.70 116.46 1xm3 s GLU 59 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 54.97 55.86 1xm3 s GLU 59 Cb 0.00 -1.58 0.00 0.00 0.10 0.00 0.00 34.13 32.65 1xm3 s GLU 59 CO 0.00 -3.56 0.00 1.04 0.02 0.00 0.00 175.26 172.76 1xm3 n GLN 60 N -4.81 -1.01 -4.69 1.61 6.02 -1.26 -4.94 117.38 108.30 1xm3 n GLN 60 Ca 0.04 0.25 -0.33 0.00 -0.01 0.00 0.00 57.00 56.95 1xm3 n GLN 60 Cb 0.54 -4.08 -0.13 0.00 1.02 0.00 0.00 30.24 27.59 1xm3 n GLN 60 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xm3 s LEU 61 N 0.00 2.91 -0.98 1.08 1.43 -1.24 -5.00 118.68 116.88 1xm3 s LEU 61 Ca 0.00 -0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 1xm3 s LEU 61 Cb 0.00 -1.65 0.09 0.00 0.03 0.00 0.00 46.19 44.65 1xm3 s LEU 61 CO 0.00 0.23 1.30 -0.62 0.23 0.00 0.00 176.35 177.49 1xm3 s ASP 62 N -0.01 6.56 0.29 2.29 3.68 -1.26 -4.85 116.67 123.38 1xm3 s ASP 62 Ca -0.02 -1.73 0.15 0.00 2.13 0.00 0.00 52.55 53.09 1xm3 s ASP 62 Cb -0.14 -2.49 0.84 0.00 -1.45 0.00 0.00 42.92 39.68 1xm3 s ASP 62 CO 0.04 -1.30 1.41 0.18 0.13 0.00 0.00 175.17 175.62 1xm3 n LEU 63 N 7.81 0.40 0.20 -1.34 4.32 -1.26 -1.34 117.00 125.78 1xm3 n LEU 63 Ca 0.29 0.63 0.14 0.00 -0.02 0.00 0.00 56.01 57.05 1xm3 n LEU 63 Cb 0.50 -0.63 0.61 0.00 -1.62 0.00 0.00 43.42 42.28 1xm3 n LEU 63 CO 0.59 -0.76 0.92 -1.28 -1.22 0.00 0.00 177.39 175.64 1xm3 h SER 64 N 0.00 0.00 -0.20 -1.43 0.87 -2.04 -2.49 113.55 108.26 1xm3 h SER 64 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xm3 h SER 64 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1xm3 h SER 64 CO 0.00 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.59 1xm3 n LYS 65 N -2.60 2.15 -4.20 2.24 5.02 -0.45 -4.97 118.16 115.35 1xm3 n LYS 65 Ca 0.01 -1.71 -0.12 0.00 -2.02 0.00 0.00 58.31 54.47 1xm3 n LYS 65 Cb 0.24 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 1xm3 n LYS 65 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1xm3 s TYR 66 N -1.76 1.05 -0.20 2.13 2.02 -0.94 -4.94 117.35 114.70 1xm3 s TYR 66 Ca 0.34 -1.09 -0.07 0.00 -0.37 0.00 0.00 57.07 55.88 1xm3 s TYR 66 Cb 0.20 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 41.13 1xm3 s TYR 66 CO 0.30 -0.33 0.07 0.99 -1.57 0.00 0.00 175.55 175.01 1xm3 s THR 67 N -3.80 4.66 -0.15 -0.71 2.01 -0.18 -4.97 115.64 112.50 1xm3 s THR 67 Ca 0.23 -0.07 -0.18 0.00 0.31 0.00 0.00 61.69 61.98 1xm3 s THR 67 Cb 0.07 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1xm3 s THR 67 CO 0.02 0.42 0.47 -0.76 -0.69 0.00 0.00 174.62 174.08 1xm3 s LEU 68 N 0.75 4.23 -0.71 4.42 2.01 -1.26 -1.61 118.68 126.51 1xm3 s LEU 68 Ca 0.04 0.73 0.05 0.00 0.01 0.00 0.00 54.13 54.96 1xm3 s LEU 68 Cb -0.13 -2.66 0.20 0.00 0.01 0.00 0.00 46.19 43.61 1xm3 s LEU 68 CO 0.02 -0.04 0.61 -0.11 1.01 0.00 0.00 176.35 177.84 1xm3 n LEU 69 N 3.99 3.40 -4.76 1.79 7.94 0.35 -1.89 117.00 127.81 1xm3 n LEU 69 Ca -0.07 -5.28 -0.37 0.00 -1.11 0.00 0.00 56.01 49.18 1xm3 n LEU 69 Cb 0.51 -0.77 0.01 0.00 0.53 0.00 0.00 43.42 43.70 1xm3 n LEU 69 CO 0.42 1.83 0.86 -2.16 -1.11 0.00 0.00 177.39 177.23 1xm3 s PRO 70 N -1.79 3.50 0.33 1.96 0.04 -1.26 -3.07 135.00 134.70 1xm3 s PRO 70 Ca 0.30 1.87 0.09 0.00 0.04 0.00 0.00 61.00 63.30 1xm3 s PRO 70 Cb 0.01 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1xm3 s PRO 70 CO -0.12 -0.80 -0.01 0.54 0.04 0.00 0.00 177.00 176.66 1xm3 s ASN 71 N -1.33 4.16 -0.54 6.66 2.20 0.20 -1.29 114.94 125.00 1xm3 s ASN 71 Ca 0.68 -0.96 0.01 0.00 -0.94 0.00 0.00 52.86 51.64 1xm3 s ASN 71 Cb -0.31 -0.54 0.53 0.00 -2.00 0.00 0.00 41.25 38.92 1xm3 s ASN 71 CO 0.37 -0.19 1.96 0.35 -2.94 0.00 0.00 177.10 176.65 1xm3 n THR 72 N -0.92 3.35 -1.67 0.54 -2.24 -0.96 -2.92 114.28 109.46 1xm3 n THR 72 Ca -0.04 -2.36 -0.45 0.00 -2.27 0.00 0.00 64.05 58.92 1xm3 n THR 72 Cb 0.62 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1xm3 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xm3 n ALA 73 N -0.94 1.15 0.00 6.98 0.00 -1.26 -1.83 120.51 124.61 1xm3 n ALA 73 Ca 0.59 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.45 1xm3 n ALA 73 Cb 1.11 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1xm3 n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xm3 n GLY 74 N 2.53 2.53 3.75 0.00 0.00 -1.26 -4.62 105.19 108.12 1xm3 n GLY 74 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1xm3 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm3 s ALA 75 N -2.33 3.46 -0.06 4.61 0.00 -0.76 -4.93 121.76 121.75 1xm3 s ALA 75 Ca 0.00 1.03 0.12 0.00 0.00 0.00 0.00 51.96 53.11 1xm3 s ALA 75 Cb 0.00 -3.42 -0.17 0.00 0.00 0.00 0.00 23.12 19.53 1xm3 s ALA 75 CO 0.00 -0.40 0.18 0.43 0.00 0.00 0.00 175.76 175.96 1xm3 n SER 76 N 1.85 2.11 -4.35 0.00 7.64 -1.26 -3.09 113.62 116.52 1xm3 n SER 76 Ca 0.02 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.73 1xm3 n SER 76 Cb 0.44 1.24 -0.10 0.00 -1.01 0.00 0.00 64.21 64.78 1xm3 n SER 76 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xm3 s THR 77 N -2.63 1.09 0.24 0.44 -4.23 -1.26 -4.85 115.64 104.44 1xm3 s THR 77 Ca -0.05 -2.04 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 1xm3 s THR 77 Cb 0.06 -2.41 0.21 0.00 1.34 0.00 0.00 72.50 71.71 1xm3 s THR 77 CO 0.51 -0.28 1.89 0.00 -0.54 0.00 0.00 174.62 176.19 1xm3 h ALA 78 N 2.41 1.16 -0.76 3.99 0.00 -1.96 -2.38 119.26 121.72 1xm3 h ALA 78 Ca -0.39 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.53 1xm3 h ALA 78 Cb 1.23 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1xm3 h ALA 78 CO 0.65 0.43 0.46 0.93 0.00 0.00 0.00 179.25 181.73 1xm3 h GLU 79 N 1.12 0.84 -0.42 0.00 3.07 -1.96 0.30 114.58 117.53 1xm3 h GLU 79 Ca 0.35 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 59.06 1xm3 h GLU 79 Cb -0.02 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.69 1xm3 h GLU 79 CO -0.11 0.56 -0.12 0.93 -1.40 0.00 0.00 179.01 178.87 1xm3 h GLU 80 N 0.87 0.76 -0.58 2.33 5.08 -1.87 -1.42 114.58 119.74 1xm3 h GLU 80 Ca 0.32 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1xm3 h GLU 80 Cb 0.12 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1xm3 h GLU 80 CO -0.15 0.84 0.08 0.00 -1.00 0.00 0.00 179.01 178.78 1xm3 h ALA 81 N 1.18 0.77 -0.63 3.43 0.00 -0.78 -1.68 119.26 121.56 1xm3 h ALA 81 Ca 0.12 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1xm3 h ALA 81 Cb 0.59 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1xm3 h ALA 81 CO 0.04 0.54 0.08 0.28 0.00 0.00 0.00 179.25 180.18 1xm3 h VAL 82 N 0.87 1.26 -0.31 0.00 2.07 -0.76 -0.38 116.25 119.00 1xm3 h VAL 82 Ca 0.17 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1xm3 h VAL 82 Cb 0.44 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1xm3 h VAL 82 CO 0.01 0.39 0.19 -0.09 0.02 0.00 0.00 177.57 178.09 1xm3 h ARG 83 N 0.98 0.41 -0.43 1.57 2.43 -0.97 0.09 114.38 118.47 1xm3 h ARG 83 Ca 0.19 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1xm3 h ARG 83 Cb 0.46 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1xm3 h ARG 83 CO 0.02 0.31 0.16 0.82 -1.51 0.00 0.00 179.97 179.77 1xm3 h ILE 84 N 0.40 1.20 -0.46 1.20 2.04 -1.09 -2.19 117.51 118.61 1xm3 h ILE 84 Ca 0.11 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1xm3 h ILE 84 Cb -0.00 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1xm3 h ILE 84 CO -0.02 0.23 0.23 0.00 0.00 0.00 0.00 178.15 178.60 1xm3 h ALA 85 N 1.01 0.59 -0.78 1.87 0.00 -0.78 -1.05 119.26 120.12 1xm3 h ALA 85 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xm3 h ALA 85 Cb 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1xm3 h ALA 85 CO -0.01 0.14 0.46 0.00 0.00 0.00 0.00 179.25 179.84 1xm3 h ARG 86 N 0.60 1.06 -0.38 0.00 3.08 -0.88 -1.55 114.38 116.31 1xm3 h ARG 86 Ca 0.16 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 1xm3 h ARG 86 Cb 0.09 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1xm3 h ARG 86 CO -0.02 0.75 -0.13 1.25 -1.07 0.00 0.00 179.97 180.74 1xm3 h LEU 87 N 1.07 0.78 -0.52 3.04 5.85 -1.00 -1.13 115.31 123.41 1xm3 h LEU 87 Ca 0.28 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1xm3 h LEU 87 Cb -0.03 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1xm3 h LEU 87 CO -0.05 0.99 0.30 0.00 -0.34 0.00 0.00 178.44 179.34 1xm3 h ALA 88 N 0.82 0.67 -0.11 1.25 0.00 -0.77 0.02 119.26 121.13 1xm3 h ALA 88 Ca 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xm3 h ALA 88 Cb 0.67 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xm3 h ALA 88 CO 0.05 -0.00 0.04 -0.22 0.00 0.00 0.00 179.25 179.11 1xm3 h LYS 89 N 0.60 0.17 0.00 0.00 3.64 -1.17 -1.62 116.57 118.18 1xm3 h LYS 89 Ca 0.21 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1xm3 h LYS 89 Cb 0.04 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1xm3 h LYS 89 CO -0.11 0.30 -0.10 0.00 -2.27 0.00 0.00 179.45 177.28 1xm3 h ALA 90 N 0.86 1.68 -0.00 5.00 0.00 -0.92 -1.39 119.26 124.48 1xm3 h ALA 90 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xm3 h ALA 90 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xm3 h ALA 90 CO -0.00 0.12 -0.07 0.43 0.00 0.00 0.00 179.25 179.74 1xm3 n SER 91 N -4.19 0.42 -0.66 0.00 7.64 -0.03 -4.92 113.62 111.88 1xm3 n SER 91 Ca -0.03 -0.68 -0.06 0.00 1.01 0.00 0.00 58.87 59.11 1xm3 n SER 91 Cb 0.18 -0.08 -0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1xm3 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xm3 n GLY 92 N 1.22 0.14 2.33 0.23 0.00 -0.52 -4.95 105.19 103.63 1xm3 n GLY 92 Ca 0.17 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 1xm3 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xm3 n LEU 93 N -0.83 3.80 -3.40 0.99 4.77 -0.64 -5.00 117.00 116.68 1xm3 n LEU 93 Ca -0.07 -4.28 -0.13 0.00 -0.03 0.00 0.00 56.01 51.51 1xm3 n LEU 93 Cb 0.55 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1xm3 n LEU 93 CO 0.08 1.80 -0.12 0.00 -1.33 0.00 0.00 177.39 177.83 1xm3 n ASP 95 N 5.34 2.03 -3.76 0.00 8.00 -0.79 -4.87 116.55 122.50 1xm3 n ASP 95 Ca -0.04 -1.51 -0.13 0.00 0.71 0.00 0.00 54.79 53.81 1xm3 n ASP 95 Cb 0.50 0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 41.90 1xm3 n ASP 95 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1xm3 s ILE 97 N -2.46 -0.04 -0.41 0.53 1.10 -0.21 -4.65 121.20 115.05 1xm3 s ILE 97 Ca 0.19 0.15 -0.17 0.00 -0.51 0.00 0.00 60.65 60.31 1xm3 s ILE 97 Cb 0.18 -0.23 0.02 0.00 0.15 0.00 0.00 42.46 42.58 1xm3 s ILE 97 CO 0.56 0.06 0.44 -0.75 -2.11 0.00 0.00 174.94 173.15 1xm3 s LYS 98 N 1.00 3.16 -0.33 3.50 2.20 -0.41 -1.31 119.74 127.55 1xm3 s LYS 98 Ca -0.08 -0.69 -0.28 0.00 -0.36 0.00 0.00 55.97 54.56 1xm3 s LYS 98 Cb -0.10 -3.95 0.02 0.00 -1.51 0.00 0.00 37.83 32.29 1xm3 s LYS 98 CO -0.05 -0.82 1.04 0.08 -0.36 0.00 0.00 175.35 175.24 1xm3 s VAL 99 N 2.16 4.52 -0.19 4.02 1.01 -0.53 -2.26 120.40 129.14 1xm3 s VAL 99 Ca 0.13 1.61 -0.02 0.00 0.00 0.00 0.00 61.98 63.70 1xm3 s VAL 99 Cb -0.17 -4.40 0.05 0.00 0.00 0.00 0.00 36.38 31.87 1xm3 s VAL 99 CO 0.14 -0.50 0.00 -0.70 0.00 0.00 0.00 175.10 174.04 1xm3 s GLU 100 N 3.63 0.93 -0.40 2.72 2.12 -1.26 -0.75 118.70 125.69 1xm3 s GLU 100 Ca 0.44 -0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.30 1xm3 s GLU 100 Cb -0.12 -2.07 0.12 0.00 0.26 0.00 0.00 34.13 32.32 1xm3 s GLU 100 CO 0.16 -0.57 0.17 0.08 -0.54 0.00 0.00 175.26 174.56 1xm3 s VAL 101 N 1.76 1.60 0.05 3.70 1.01 -1.26 -4.23 120.40 123.02 1xm3 s VAL 101 Ca -0.01 -2.32 -0.31 0.00 0.00 0.00 0.00 61.98 59.34 1xm3 s VAL 101 Cb -0.17 -2.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 1xm3 s VAL 101 CO -0.07 -0.77 1.33 -0.63 0.00 0.00 0.00 175.10 174.96 1xm3 s ILE 102 N 0.69 3.72 -0.90 2.22 -1.09 -1.18 -0.72 121.20 123.94 1xm3 s ILE 102 Ca 0.14 1.18 0.10 0.00 -2.23 0.00 0.00 60.65 59.84 1xm3 s ILE 102 Cb -0.22 -3.76 0.24 0.00 -1.58 0.00 0.00 42.46 37.15 1xm3 s ILE 102 CO -0.08 0.05 1.16 0.61 -1.23 0.00 0.00 174.94 175.45 1xm3 n GLY 103 N 3.47 2.27 2.89 6.18 0.00 -0.48 -4.64 105.19 114.88 1xm3 n GLY 103 Ca 0.11 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1xm3 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm3 h SER 105 N 8.30 0.00 0.00 0.00 4.64 -1.93 0.41 113.55 124.97 1xm3 h SER 105 Ca -0.15 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 1xm3 h SER 105 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1xm3 h SER 105 CO 0.20 0.03 -0.43 -0.09 -0.87 0.00 0.00 176.83 175.67 1xm3 h ARG 106 N 0.00 0.00 0.00 4.77 2.43 -1.99 -3.40 114.38 116.19 1xm3 h ARG 106 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1xm3 h ARG 106 Cb 0.41 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1xm3 h ARG 106 CO 0.00 0.60 -1.24 -1.13 -1.51 0.00 0.00 179.97 176.70 1xm3 n SER 107 N -4.60 0.78 -0.62 -3.80 3.41 -1.24 -4.97 113.62 102.59 1xm3 n SER 107 Ca -0.13 0.32 -0.08 0.00 -0.26 0.00 0.00 58.87 58.72 1xm3 n SER 107 Cb 0.39 0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 1xm3 n SER 107 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xm3 n LEU 108 N -2.72 -0.41 -4.79 1.04 4.77 0.14 -4.28 117.00 110.74 1xm3 n LEU 108 Ca -0.04 0.20 -0.34 0.00 -0.03 0.00 0.00 56.01 55.79 1xm3 n LEU 108 Cb 0.66 -1.76 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 1xm3 n LEU 108 CO 0.41 -0.59 0.73 -0.76 -1.33 0.00 0.00 177.39 175.85 1xm3 s LEU 109 N -1.83 3.82 0.51 2.23 1.43 -1.26 -4.68 118.68 118.91 1xm3 s LEU 109 Ca 0.00 1.99 -0.21 0.00 -1.03 0.00 0.00 54.13 54.88 1xm3 s LEU 109 Cb 0.00 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.60 1xm3 s LEU 109 CO 0.00 -0.89 1.20 -2.16 0.23 0.00 0.00 176.35 174.73 1xm3 s PRO 110 N -3.24 3.46 -0.40 1.29 0.04 -1.26 -1.39 135.00 133.50 1xm3 s PRO 110 Ca 0.69 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 63.35 1xm3 s PRO 110 Cb -0.18 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.13 1xm3 s PRO 110 CO 0.22 -0.82 0.68 0.34 0.04 0.00 0.00 177.00 177.46 1xm3 s ASP 111 N -1.39 6.41 0.23 6.66 -1.08 0.10 -4.60 116.67 123.00 1xm3 s ASP 111 Ca 0.69 -0.02 -0.06 0.00 -0.52 0.00 0.00 52.55 52.63 1xm3 s ASP 111 Cb -0.30 -2.34 0.22 0.00 -1.46 0.00 0.00 42.92 39.03 1xm3 s ASP 111 CO 0.35 -0.72 1.79 1.55 0.52 0.00 0.00 175.17 178.66 1xm3 h PRO 112 N 8.69 1.12 -0.10 4.34 0.13 -1.95 -0.75 132.00 143.48 1xm3 h PRO 112 Ca -0.26 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1xm3 h PRO 112 Cb 1.10 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1xm3 h PRO 112 CO 0.88 0.92 0.00 0.28 -0.23 0.00 0.00 178.00 179.86 1xm3 h VAL 113 N 1.09 1.24 -0.21 1.56 2.07 -1.98 -1.31 116.25 118.71 1xm3 h VAL 113 Ca 0.25 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 1xm3 h VAL 113 Cb 0.23 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1xm3 h VAL 113 CO -0.02 0.22 -0.35 -0.33 0.02 0.00 0.00 177.57 177.11 1xm3 h GLU 114 N -0.09 0.45 -0.45 1.57 4.39 -1.94 -1.37 114.58 117.15 1xm3 h GLU 114 Ca 0.03 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 1xm3 h GLU 114 Cb 0.34 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1xm3 h GLU 114 CO 0.00 0.75 -0.09 1.15 -1.16 0.00 0.00 179.01 179.66 1xm3 h THR 115 N 0.39 1.27 -0.41 1.13 2.02 -1.07 0.96 112.91 117.20 1xm3 h THR 115 Ca 0.04 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 1xm3 h THR 115 Cb 0.80 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1xm3 h THR 115 CO 0.06 0.41 0.20 0.25 0.37 0.00 0.00 175.52 176.81 1xm3 h LEU 116 N 0.69 0.53 -0.20 2.58 5.85 -1.10 -0.81 115.31 122.85 1xm3 h LEU 116 Ca 0.12 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1xm3 h LEU 116 Cb 0.63 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1xm3 h LEU 116 CO 0.04 0.50 0.05 0.50 -0.34 0.00 0.00 178.44 179.20 1xm3 h LYS 117 N 0.52 0.32 -0.59 1.25 3.64 -1.01 -2.37 116.57 118.32 1xm3 h LYS 117 Ca 0.14 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1xm3 h LYS 117 Cb 0.11 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1xm3 h LYS 117 CO -0.02 0.44 -0.03 0.00 -2.27 0.00 0.00 179.45 177.57 1xm3 h ALA 118 N 0.86 0.82 -0.54 5.00 0.00 -0.75 -2.40 119.26 122.26 1xm3 h ALA 118 Ca 0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xm3 h ALA 118 Cb 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1xm3 h ALA 118 CO 0.00 0.67 0.32 0.77 0.00 0.00 0.00 179.25 181.01 1xm3 h SER 119 N 0.96 0.65 -0.45 0.00 0.02 -1.08 -0.74 113.55 112.91 1xm3 h SER 119 Ca 0.16 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1xm3 h SER 119 Cb 0.60 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1xm3 h SER 119 CO 0.04 0.53 0.16 -0.08 -1.14 0.00 0.00 176.83 176.34 1xm3 h GLU 120 N 0.72 0.68 -0.45 3.45 4.81 -1.33 -1.86 114.58 120.61 1xm3 h GLU 120 Ca 0.19 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1xm3 h GLU 120 Cb -0.00 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1xm3 h GLU 120 CO -0.04 0.63 0.07 0.37 -0.73 0.00 0.00 179.01 179.32 1xm3 h GLN 121 N 0.58 0.74 0.00 1.92 5.75 -1.18 -2.04 115.11 120.87 1xm3 h GLN 121 Ca 0.15 -0.20 -0.07 0.00 -0.15 0.00 0.00 58.65 58.38 1xm3 h GLN 121 Cb 0.22 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 1xm3 h GLN 121 CO -0.01 0.76 -0.32 -0.07 -2.65 0.00 0.00 178.83 176.54 1xm3 h LEU 122 N 0.60 0.00 -0.31 -2.39 3.38 -1.06 -1.70 115.31 113.83 1xm3 h LEU 122 Ca 0.14 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 1xm3 h LEU 122 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1xm3 h LEU 122 CO 0.01 0.32 -0.61 -0.07 0.09 0.00 0.00 178.44 178.18 1xm3 h LEU 123 N 0.00 0.88 -1.53 1.67 3.38 -1.11 -1.56 115.31 117.04 1xm3 h LEU 123 Ca -0.00 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 1xm3 h LEU 123 Cb 0.69 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1xm3 h LEU 123 CO 0.04 1.28 -0.24 -0.08 0.09 0.00 0.00 178.44 179.53 1xm3 h GLU 124 N 0.58 0.00 -0.07 1.13 4.81 -0.89 -1.98 114.58 118.16 1xm3 h GLU 124 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xm3 h GLU 124 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1xm3 h GLU 124 CO 0.13 0.24 0.00 0.39 -0.73 0.00 0.00 179.01 179.04 1xm3 n GLU 125 N -4.09 1.47 -0.46 1.92 1.02 -0.68 -4.94 120.64 114.88 1xm3 n GLU 125 Ca -0.02 -0.70 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 1xm3 n GLU 125 Cb 0.31 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1xm3 n GLU 125 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xm3 n GLY 126 N 1.06 0.77 3.87 0.62 0.00 -0.74 -5.07 105.19 105.70 1xm3 n GLY 126 Ca 0.17 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1xm3 n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xm3 s PHE 127 N -2.00 3.62 -0.35 1.61 0.40 -0.61 -5.02 117.98 115.64 1xm3 s PHE 127 Ca 0.00 1.26 -0.18 0.00 -0.60 0.00 0.00 56.93 57.42 1xm3 s PHE 127 Cb 0.00 -2.69 -0.00 0.00 0.51 0.00 0.00 43.02 40.83 1xm3 s PHE 127 CO 0.00 -0.65 0.50 0.42 0.70 0.00 0.00 175.22 176.19 1xm3 s ILE 128 N -3.13 5.03 -0.17 0.64 -1.09 -1.26 -4.64 121.20 116.59 1xm3 s ILE 128 Ca 0.55 0.31 -0.05 0.00 -2.23 0.00 0.00 60.65 59.22 1xm3 s ILE 128 Cb -0.11 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1xm3 s ILE 128 CO 0.52 -0.20 0.00 -0.69 -1.23 0.00 0.00 174.94 173.35 1xm3 s VAL 129 N 2.35 4.26 -0.31 2.92 1.01 -1.26 -1.05 120.40 128.32 1xm3 s VAL 129 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1xm3 s VAL 129 Cb -0.16 -2.89 0.10 0.00 0.00 0.00 0.00 36.38 33.43 1xm3 s VAL 129 CO 0.13 0.48 0.07 -0.76 0.00 0.00 0.00 175.10 175.02 1xm3 s LEU 130 N 0.37 2.74 0.09 3.92 1.02 -0.43 -0.47 118.68 125.93 1xm3 s LEU 130 Ca -0.01 -1.68 -0.26 0.00 0.02 0.00 0.00 54.13 52.20 1xm3 s LEU 130 Cb -0.13 -1.03 -0.06 0.00 0.02 0.00 0.00 46.19 44.98 1xm3 s LEU 130 CO 0.02 -0.39 0.80 -2.16 0.02 0.00 0.00 176.35 174.63 1xm3 s PRO 131 N 1.46 4.55 -0.04 1.29 0.04 -1.24 -1.46 135.00 139.61 1xm3 s PRO 131 Ca 0.08 1.15 -0.26 0.00 0.04 0.00 0.00 61.00 62.01 1xm3 s PRO 131 Cb -0.18 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1xm3 s PRO 131 CO -0.20 0.36 0.83 -0.47 0.04 0.00 0.00 177.00 177.56 1xm3 s TYR 132 N -0.37 3.61 0.35 0.56 5.04 0.07 -4.61 117.35 122.01 1xm3 s TYR 132 Ca 0.39 1.45 0.05 0.00 -2.44 0.00 0.00 57.07 56.52 1xm3 s TYR 132 Cb -0.22 -2.95 -0.02 0.00 0.35 0.00 0.00 41.96 39.12 1xm3 s TYR 132 CO 0.25 0.04 0.36 -2.37 -1.34 0.00 0.00 175.55 172.48 1xm3 n THR 133 N 3.86 0.00 -1.69 4.34 5.66 -1.26 -4.81 114.28 120.38 1xm3 n THR 133 Ca 0.02 -2.29 0.00 0.00 -3.05 0.00 0.00 64.05 58.73 1xm3 n THR 133 Cb 0.51 1.21 0.00 0.00 -1.55 0.00 0.00 70.33 70.50 1xm3 n THR 133 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1xm3 n SER 134 N -1.64 0.00 -2.00 1.09 3.41 -1.26 -1.10 113.62 112.12 1xm3 n SER 134 Ca 0.06 -0.94 -0.06 0.00 -0.26 0.00 0.00 58.87 57.67 1xm3 n SER 134 Cb 0.62 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.87 1xm3 n SER 134 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xm3 n ASP 135 N -2.82 4.82 -4.64 4.04 5.68 -1.26 -4.28 116.55 118.10 1xm3 n ASP 135 Ca 0.00 -3.18 -0.43 0.00 -0.50 0.00 0.00 54.79 50.68 1xm3 n ASP 135 Cb 0.00 -0.74 -0.03 0.00 -1.14 0.00 0.00 41.12 39.21 1xm3 n ASP 135 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1xm3 s ASP 136 N -0.95 6.47 0.08 -1.12 -1.08 -1.26 -4.74 116.67 114.07 1xm3 s ASP 136 Ca 0.54 1.75 -0.25 0.00 -0.52 0.00 0.00 52.55 54.07 1xm3 s ASP 136 Cb 0.43 -2.53 -0.16 0.00 -1.46 0.00 0.00 42.92 39.20 1xm3 s ASP 136 CO 0.13 -1.16 1.68 0.58 0.52 0.00 0.00 175.17 176.92 1xm3 h VAL 137 N 5.99 0.89 -0.14 1.11 2.07 -1.90 -2.53 116.25 121.73 1xm3 h VAL 137 Ca -0.34 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 1xm3 h VAL 137 Cb 1.15 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1xm3 h VAL 137 CO 0.99 0.02 -0.39 0.58 0.02 0.00 0.00 177.57 178.79 1xm3 h VAL 138 N -0.22 1.30 -0.78 2.57 2.07 -1.99 -2.77 116.25 116.43 1xm3 h VAL 138 Ca -0.02 -1.49 0.05 0.00 0.82 0.00 0.00 66.70 66.06 1xm3 h VAL 138 Cb 0.17 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1xm3 h VAL 138 CO 0.03 0.45 0.48 0.25 0.02 0.00 0.00 177.57 178.80 1xm3 h LEU 139 N 0.26 0.77 -0.59 2.57 5.85 -1.94 -0.08 115.31 122.16 1xm3 h LEU 139 Ca 0.03 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1xm3 h LEU 139 Cb 0.81 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1xm3 h LEU 139 CO 0.06 0.51 0.35 0.00 -0.34 0.00 0.00 178.44 179.02 1xm3 h ALA 140 N 1.36 0.76 -0.47 1.25 0.00 -1.17 -0.71 119.26 120.28 1xm3 h ALA 140 Ca 0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1xm3 h ALA 140 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xm3 h ALA 140 CO -0.15 0.07 -0.02 -0.09 0.00 0.00 0.00 179.25 179.06 1xm3 h ARG 141 N 0.68 0.79 -0.80 0.00 2.43 -1.18 -1.61 114.38 114.69 1xm3 h ARG 141 Ca 0.24 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1xm3 h ARG 141 Cb 0.05 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1xm3 h ARG 141 CO -0.11 0.81 0.53 0.87 -1.51 0.00 0.00 179.97 180.55 1xm3 h LYS 142 N 0.73 1.04 -0.28 0.20 1.79 0.00 0.49 116.57 120.54 1xm3 h LYS 142 Ca 0.14 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1xm3 h LYS 142 Cb 0.47 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1xm3 h LYS 142 CO 0.02 0.69 0.09 -0.07 -1.08 0.00 0.00 179.45 179.10 1xm3 h LEU 143 N 1.07 0.41 -0.89 2.94 3.38 -0.78 -2.72 115.31 118.73 1xm3 h LEU 143 Ca 0.30 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1xm3 h LEU 143 Cb -0.10 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 1xm3 h LEU 143 CO -0.07 0.49 0.57 -0.33 0.09 0.00 0.00 178.44 179.19 1xm3 h GLU 144 N 0.30 1.03 0.00 1.13 5.08 -0.64 -1.39 114.58 120.09 1xm3 h GLU 144 Ca 0.09 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xm3 h GLU 144 Cb 0.23 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xm3 h GLU 144 CO -0.00 0.68 -0.01 0.93 -1.00 0.00 0.00 179.01 179.61 1xm3 h GLU 145 N 1.06 0.00 0.00 2.33 5.08 -0.62 0.31 114.58 122.75 1xm3 h GLU 145 Ca 0.37 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.64 1xm3 h GLU 145 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1xm3 h GLU 145 CO -0.15 0.01 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.37 1xm3 h LEU 146 N 0.00 0.00 0.00 1.33 3.38 -1.03 -3.47 115.31 115.52 1xm3 h LEU 146 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xm3 h LEU 146 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xm3 h LEU 146 CO 0.00 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.57 1xm3 n GLY 147 N 0.29 1.53 3.72 0.83 0.00 0.10 -4.99 105.19 106.67 1xm3 n GLY 147 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1xm3 n GLY 147 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xm3 s VAL 148 N -2.00 2.26 -1.33 1.61 -7.23 -1.24 -4.93 120.40 107.54 1xm3 s VAL 148 Ca 0.00 0.12 0.27 0.00 -1.81 0.00 0.00 61.98 60.56 1xm3 s VAL 148 Cb 0.00 -2.66 0.20 0.00 0.56 0.00 0.00 36.38 34.48 1xm3 s VAL 148 CO 0.00 -0.07 1.62 1.41 -0.31 0.00 0.00 175.10 177.75 1xm3 n HIS 149 N -2.85 0.00 -3.56 2.82 8.25 0.38 -4.90 115.22 115.36 1xm3 n HIS 149 Ca 0.13 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.52 1xm3 n HIS 149 Cb 0.50 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 1xm3 n HIS 149 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xm3 s ALA 150 N -2.76 -1.95 0.00 -1.41 0.00 -1.22 -4.31 121.76 110.11 1xm3 s ALA 150 Ca 0.19 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1xm3 s ALA 150 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1xm3 s ALA 150 CO 0.58 -0.55 0.00 0.44 0.00 0.00 0.00 175.76 176.23 1xm3 n ILE 151 N 0.06 0.00 -3.64 0.00 -5.35 -0.51 -3.68 119.36 106.23 1xm3 n ILE 151 Ca -0.05 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.38 1xm3 n ILE 151 Cb 0.59 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.43 1xm3 n ILE 151 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1xm3 s PRO 153 N -1.56 0.20 0.22 6.28 0.04 -1.23 -1.50 135.00 137.45 1xm3 s PRO 153 Ca 0.00 0.21 -0.27 0.00 0.04 0.00 0.00 61.00 60.98 1xm3 s PRO 153 Cb 0.00 0.10 -0.09 0.00 0.04 0.00 0.00 34.50 34.55 1xm3 s PRO 153 CO 0.00 -0.03 0.86 0.20 0.04 0.00 0.00 177.00 178.07 1xm3 s GLY 154 N -0.08 2.96 0.15 0.56 0.00 -0.26 -1.37 107.32 109.27 1xm3 s GLY 154 Ca 0.06 0.47 -0.11 0.00 0.00 0.00 0.00 44.72 45.14 1xm3 s GLY 154 CO -0.12 0.98 1.53 0.00 0.00 0.00 0.00 173.10 175.49 1xm3 h ALA 155 N 4.03 0.63 -2.94 3.20 0.00 -1.55 -3.41 119.26 119.22 1xm3 h ALA 155 Ca -0.46 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.06 1xm3 h ALA 155 Cb 1.20 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1xm3 h ALA 155 CO 0.67 0.63 0.31 -1.54 0.00 0.00 0.00 179.25 179.31 1xm3 s SER 156 N -6.69 -0.00 0.53 0.00 1.04 -1.24 -1.89 113.70 105.45 1xm3 s SER 156 Ca -0.12 -1.07 -0.21 0.00 0.48 0.00 0.00 55.95 55.03 1xm3 s SER 156 Cb 0.12 0.81 -0.07 0.00 0.10 0.00 0.00 66.02 66.97 1xm3 s SER 156 CO 0.86 -1.60 1.03 -2.65 0.98 0.00 0.00 173.24 171.86 1xm3 n PRO 157 N -0.55 1.18 -1.64 4.02 -0.02 -1.26 -4.03 135.00 132.70 1xm3 n PRO 157 Ca -0.08 0.44 -0.48 0.00 -2.02 0.00 0.00 63.50 61.36 1xm3 n PRO 157 Cb 0.60 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 1xm3 n PRO 157 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1xm3 n ILE 158 N -1.18 0.03 -0.96 4.25 5.41 -1.26 -1.34 119.36 124.31 1xm3 n ILE 158 Ca 0.11 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1xm3 n ILE 158 Cb 0.44 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 1xm3 n ILE 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xm3 n GLY 159 N 3.17 0.32 0.14 7.39 0.00 -1.26 -4.88 105.19 110.06 1xm3 n GLY 159 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 1xm3 n GLY 159 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xm3 h SER 160 N 0.00 0.00 -0.49 1.61 4.64 -1.51 -3.47 113.55 114.33 1xm3 h SER 160 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1xm3 h SER 160 Cb 0.37 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.38 1xm3 h SER 160 CO 0.00 0.61 -0.19 0.61 -0.87 0.00 0.00 176.83 176.99 1xm3 n GLY 161 N 0.56 1.09 0.00 -0.77 0.00 -1.25 -4.88 105.19 99.93 1xm3 n GLY 161 Ca -0.00 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1xm3 n GLY 161 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xm3 n GLN 162 N -1.68 0.01 0.00 1.61 6.02 -1.16 -4.08 117.38 118.09 1xm3 n GLN 162 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1xm3 n GLN 162 Cb 0.47 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1xm3 n GLN 162 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xm3 n GLY 163 N 1.50 -1.66 3.64 1.08 0.00 0.10 -4.75 105.19 105.11 1xm3 n GLY 163 Ca 0.06 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1xm3 n GLY 163 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xm3 s ILE 164 N 0.00 4.69 -0.19 -0.61 -4.36 -1.26 -3.61 121.20 115.86 1xm3 s ILE 164 Ca 0.00 1.68 0.18 0.00 -0.26 0.00 0.00 60.65 62.25 1xm3 s ILE 164 Cb 0.00 -4.26 0.02 0.00 1.25 0.00 0.00 42.46 39.46 1xm3 s ILE 164 CO 0.00 -0.25 1.18 -0.07 0.24 0.00 0.00 174.94 176.04 1xm3 h LEU 165 N 9.56 0.00 -6.40 0.37 3.38 -1.67 -3.41 115.31 117.14 1xm3 h LEU 165 Ca -0.21 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.17 1xm3 h LEU 165 Cb 1.07 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.43 1xm3 h LEU 165 CO 0.95 0.38 -0.88 -3.20 0.09 0.00 0.00 178.44 175.78 1xm3 n ASN 166 N -3.00 0.90 -0.15 -0.43 2.85 -1.26 -4.96 115.26 109.22 1xm3 n ASN 166 Ca -0.02 -2.75 0.14 0.00 -0.11 0.00 0.00 54.58 51.83 1xm3 n ASN 166 Cb 0.71 -0.63 0.49 0.00 1.24 0.00 0.00 39.78 41.59 1xm3 n ASN 166 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1xm3 h PRO 167 N 5.00 0.44 0.18 1.20 0.11 -1.96 -2.32 132.00 134.64 1xm3 h PRO 167 Ca 0.19 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1xm3 h PRO 167 Cb 0.84 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1xm3 h PRO 167 CO 0.52 0.29 -0.09 1.25 -0.21 0.00 0.00 178.00 179.76 1xm3 h LEU 168 N 0.45 -0.21 -0.83 2.35 5.85 -1.99 -0.07 115.31 120.86 1xm3 h LEU 168 Ca 0.34 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1xm3 h LEU 168 Cb 0.71 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1xm3 h LEU 168 CO -0.11 -0.06 0.47 0.78 -0.34 0.00 0.00 178.44 179.18 1xm3 h ASN 169 N -0.35 1.03 -0.61 1.25 4.21 -1.79 -1.52 115.58 117.80 1xm3 h ASN 169 Ca -0.03 -0.09 -0.03 0.00 1.21 0.00 0.00 56.30 57.36 1xm3 h ASN 169 Cb 0.27 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.18 1xm3 h ASN 169 CO 0.04 0.82 0.26 0.25 -1.29 0.00 0.00 177.43 177.51 1xm3 h LEU 170 N 1.15 0.86 -0.75 1.61 5.85 -1.30 -1.13 115.31 121.60 1xm3 h LEU 170 Ca 0.29 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1xm3 h LEU 170 Cb 0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1xm3 h LEU 170 CO -0.05 0.76 0.33 0.28 -0.34 0.00 0.00 178.44 179.43 1xm3 h SER 171 N 0.92 1.00 -0.35 1.25 0.02 -0.31 -0.82 113.55 115.26 1xm3 h SER 171 Ca 0.22 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1xm3 h SER 171 Cb 0.17 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1xm3 h SER 171 CO -0.02 0.87 0.08 -0.26 -1.14 0.00 0.00 176.83 176.36 1xm3 h PHE 172 N 1.06 0.60 -0.32 3.45 0.04 -0.65 -1.42 116.94 119.69 1xm3 h PHE 172 Ca 0.25 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 1xm3 h PHE 172 Cb 0.16 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1xm3 h PHE 172 CO 0.01 0.61 0.20 0.82 -0.60 0.00 0.00 178.31 179.36 1xm3 h ILE 173 N 0.42 1.10 -0.37 -0.55 2.04 -0.95 -2.00 117.51 117.20 1xm3 h ILE 173 Ca 0.11 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1xm3 h ILE 173 Cb 0.32 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1xm3 h ILE 173 CO 0.00 0.10 0.03 0.16 0.00 0.00 0.00 178.15 178.44 1xm3 h ILE 174 N 0.43 1.25 0.00 -0.67 3.07 -1.10 -2.13 117.51 118.36 1xm3 h ILE 174 Ca 0.12 -0.93 -0.01 0.00 1.55 0.00 0.00 64.86 65.58 1xm3 h ILE 174 Cb -0.01 1.13 -0.00 0.00 -0.27 0.00 0.00 36.82 37.67 1xm3 h ILE 174 CO -0.02 0.31 -0.07 -0.33 -1.05 0.00 0.00 178.15 176.99 1xm3 h GLU 175 N 0.46 0.00 0.00 0.16 5.08 -1.13 -2.90 114.58 116.25 1xm3 h GLU 175 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xm3 h GLU 175 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1xm3 h GLU 175 CO 0.01 0.07 -1.41 0.00 -1.00 0.00 0.00 179.01 176.68 1xm3 n GLN 176 N -3.29 0.40 -1.77 2.33 10.64 -0.76 -5.00 117.38 119.92 1xm3 n GLN 176 Ca -0.01 -0.07 -0.38 0.00 -1.83 0.00 0.00 57.00 54.71 1xm3 n GLN 176 Cb 0.26 -1.56 0.04 0.00 -0.86 0.00 0.00 30.24 28.12 1xm3 n GLN 176 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xm3 s ALA 177 N -3.30 2.82 -0.23 2.61 0.00 -0.81 -4.95 121.76 117.91 1xm3 s ALA 177 Ca -0.00 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1xm3 s ALA 177 Cb 0.14 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1xm3 s ALA 177 CO 0.86 -1.39 0.48 1.63 0.00 0.00 0.00 175.76 177.34 1xm3 n LYS 178 N -1.02 0.60 -4.29 0.00 5.02 -1.26 -5.01 118.16 112.20 1xm3 n LYS 178 Ca 0.10 -0.51 -0.15 0.00 -2.02 0.00 0.00 58.31 55.73 1xm3 n LYS 178 Cb 0.45 -0.96 -0.10 0.00 -0.02 0.00 0.00 35.03 34.40 1xm3 n LYS 178 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1xm3 s VAL 179 N -0.36 0.88 0.63 -0.18 -7.23 -1.26 -5.13 120.40 107.75 1xm3 s VAL 179 Ca 0.02 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 1xm3 s VAL 179 Cb 0.02 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1xm3 s VAL 179 CO 0.04 -0.41 1.26 -0.81 -0.31 0.00 0.00 175.10 174.86 1xm3 n PRO 180 N -0.33 1.15 -4.05 4.82 -0.04 -1.26 -4.77 135.00 130.52 1xm3 n PRO 180 Ca -0.06 0.45 -0.34 0.00 -0.04 0.00 0.00 63.50 63.51 1xm3 n PRO 180 Cb 0.63 -2.49 -0.15 0.00 -0.04 0.00 0.00 33.50 31.45 1xm3 n PRO 180 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xm3 s VAL 181 N -1.39 2.50 -0.18 0.52 1.01 -1.26 -1.43 120.40 120.17 1xm3 s VAL 181 Ca 0.81 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1xm3 s VAL 181 Cb -0.39 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1xm3 s VAL 181 CO 0.42 0.50 -0.17 -0.51 0.00 0.00 0.00 175.10 175.33 1xm3 s ILE 182 N 1.35 1.90 0.01 2.22 2.07 -0.56 -0.45 121.20 127.75 1xm3 s ILE 182 Ca 0.05 -0.90 -0.30 0.00 -1.41 0.00 0.00 60.65 58.09 1xm3 s ILE 182 Cb -0.13 -1.77 -0.06 0.00 0.13 0.00 0.00 42.46 40.62 1xm3 s ILE 182 CO -0.10 0.46 1.54 -0.69 -1.91 0.00 0.00 174.94 174.24 1xm3 s VAL 183 N 1.34 3.44 -0.21 4.00 1.01 -0.80 -3.53 120.40 125.66 1xm3 s VAL 183 Ca 0.04 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 1xm3 s VAL 183 Cb -0.14 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1xm3 s VAL 183 CO -0.12 -0.02 -0.11 -0.62 0.00 0.00 0.00 175.10 174.24 1xm3 s ASP 184 N 2.32 3.85 0.38 3.32 3.68 -0.47 -0.44 116.67 129.30 1xm3 s ASP 184 Ca 0.69 -0.69 0.00 0.00 2.13 0.00 0.00 52.55 54.68 1xm3 s ASP 184 Cb -0.35 -1.60 0.00 0.00 -1.45 0.00 0.00 42.92 39.52 1xm3 s ASP 184 CO 0.29 -0.05 0.00 0.00 0.13 0.00 0.00 175.17 175.54 1xm3 n ALA 185 N 4.67 -3.53 -0.61 3.66 0.00 -0.68 -3.66 120.51 120.36 1xm3 n ALA 185 Ca -0.19 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1xm3 n ALA 185 Cb 0.49 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1xm3 n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xm3 n GLY 186 N -3.88 0.95 3.77 0.00 0.00 -1.26 -2.43 105.19 102.34 1xm3 n GLY 186 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1xm3 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xm3 s ILE 187 N -3.29 4.14 0.00 -0.61 -1.09 -1.26 0.02 121.20 119.11 1xm3 s ILE 187 Ca 0.00 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.31 1xm3 s ILE 187 Cb 0.00 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1xm3 s ILE 187 CO 0.00 0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 1xm3 n GLY 188 N 0.86 0.00 3.57 6.18 0.00 -1.26 -4.37 105.19 110.17 1xm3 n GLY 188 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1xm3 n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xm3 s SER 189 N -3.37 0.16 0.37 1.61 1.04 -1.26 -4.89 113.70 107.36 1xm3 s SER 189 Ca 0.00 -1.09 0.14 0.00 0.48 0.00 0.00 55.95 55.48 1xm3 s SER 189 Cb 0.00 0.62 0.97 0.00 0.10 0.00 0.00 66.02 67.71 1xm3 s SER 189 CO 0.00 -1.21 1.80 -0.65 0.98 0.00 0.00 173.24 174.16 1xm3 h PRO 190 N 2.21 0.51 -0.51 4.02 0.11 -2.00 -1.13 132.00 135.21 1xm3 h PRO 190 Ca -0.27 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.85 1xm3 h PRO 190 Cb 1.25 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1xm3 h PRO 190 CO 0.37 0.34 0.34 1.57 -0.21 0.00 0.00 178.00 180.41 1xm3 h LYS 191 N 0.52 0.54 -0.13 1.05 2.10 -1.97 0.57 116.57 119.25 1xm3 h LYS 191 Ca 0.54 -0.03 -0.20 0.00 -2.00 0.00 0.00 60.65 58.96 1xm3 h LYS 191 Cb 1.18 -0.12 0.01 0.00 -0.90 0.00 0.00 32.23 32.40 1xm3 h LYS 191 CO -0.28 0.36 -0.71 -0.44 -2.00 0.00 0.00 179.45 176.37 1xm3 h ASP 192 N 0.55 0.86 -0.47 7.07 3.32 -1.62 -1.42 116.42 124.71 1xm3 h ASP 192 Ca 0.21 -0.64 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 1xm3 h ASP 192 Cb 0.15 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1xm3 h ASP 192 CO -0.06 1.36 0.05 0.00 -1.72 0.00 0.00 179.24 178.87 1xm3 h ALA 193 N 0.52 0.63 -0.53 3.45 0.00 -1.30 -1.98 119.26 120.05 1xm3 h ALA 193 Ca -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1xm3 h ALA 193 Cb 1.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1xm3 h ALA 193 CO 0.15 0.38 0.19 0.00 0.00 0.00 0.00 179.25 179.97 1xm3 h ALA 194 N 0.94 0.68 -0.79 0.00 0.00 -0.91 -2.91 119.26 116.28 1xm3 h ALA 194 Ca 0.14 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xm3 h ALA 194 Cb 0.43 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1xm3 h ALA 194 CO 0.01 0.32 0.51 -0.92 0.00 0.00 0.00 179.25 179.17 1xm3 h TYR 195 N 0.71 0.97 0.00 0.00 3.20 -1.03 0.84 116.97 121.65 1xm3 h TYR 195 Ca 0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1xm3 h TYR 195 Cb 0.23 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.18 1xm3 h TYR 195 CO 0.01 0.58 0.00 0.00 -1.64 0.00 0.00 178.16 177.11 1xm3 n ALA 196 N -2.32 0.86 0.00 1.82 0.00 -0.76 -1.31 120.51 118.79 1xm3 n ALA 196 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1xm3 n ALA 196 Cb 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1xm3 n ALA 196 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xm3 n GLU 198 N 0.32 0.00 0.00 0.00 1.02 0.29 -2.08 120.64 120.19 1xm3 n GLU 198 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1xm3 n GLU 198 Cb 0.00 0.00 0.53 0.00 -0.02 0.00 0.00 31.44 31.95 1xm3 n GLU 198 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xm3 n LEU 199 N 0.00 0.13 0.00 -4.62 4.77 -0.43 -4.71 117.00 112.14 1xm3 n LEU 199 Ca 0.00 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1xm3 n LEU 199 Cb 0.00 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1xm3 n LEU 199 CO 0.00 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1xm3 n GLY 200 N 1.49 1.23 3.76 -0.72 0.00 -1.17 -4.91 105.19 104.87 1xm3 n GLY 200 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1xm3 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm3 s ALA 201 N -2.00 2.54 -0.79 4.61 0.00 -0.88 -4.93 121.76 120.31 1xm3 s ALA 201 Ca 0.00 0.84 0.26 0.00 0.00 0.00 0.00 51.96 53.06 1xm3 s ALA 201 Cb 0.00 -3.39 0.74 0.00 0.00 0.00 0.00 23.12 20.46 1xm3 s ALA 201 CO 0.00 -1.12 1.64 -0.25 0.00 0.00 0.00 175.76 176.04 1xm3 n ASP 202 N -1.77 0.58 0.00 0.00 9.92 0.40 -4.92 116.55 120.77 1xm3 n ASP 202 Ca 0.12 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 1xm3 n ASP 202 Cb 0.51 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 1xm3 n ASP 202 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xm3 n GLY 203 N 1.38 -0.80 2.88 0.44 0.00 -1.19 -4.80 105.19 103.10 1xm3 n GLY 203 Ca 0.05 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1xm3 n GLY 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xm3 s VAL 204 N -2.00 0.08 -0.21 1.61 1.01 -0.56 -1.90 120.40 118.43 1xm3 s VAL 204 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1xm3 s VAL 204 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 1xm3 s VAL 204 CO 0.00 0.03 -0.00 -0.22 0.00 0.00 0.00 175.10 174.91 1xm3 s LEU 205 N 0.09 3.17 0.17 3.92 0.20 0.41 -0.64 118.68 125.99 1xm3 s LEU 205 Ca -0.01 -0.26 0.08 0.00 0.69 0.00 0.00 54.13 54.64 1xm3 s LEU 205 Cb -0.02 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 1xm3 s LEU 205 CO -0.00 0.03 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.14 1xm3 s LEU 206 N 1.22 2.44 0.00 -0.68 1.43 -0.01 -1.69 118.68 121.39 1xm3 s LEU 206 Ca 0.03 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1xm3 s LEU 206 Cb -0.15 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1xm3 s LEU 206 CO 0.01 -0.04 0.00 -0.46 0.23 0.00 0.00 176.35 176.09 1xm3 n ASN 207 N 0.27 0.00 0.21 2.29 0.23 -1.26 -0.14 115.26 116.86 1xm3 n ASN 207 Ca -0.13 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.02 1xm3 n ASN 207 Cb 0.57 0.00 0.64 0.00 -2.08 0.00 0.00 39.78 38.92 1xm3 n ASN 207 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1xm3 h THR 208 N 0.00 0.96 -0.14 5.53 1.35 -1.94 -0.87 112.91 117.80 1xm3 h THR 208 Ca 0.00 -0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.90 1xm3 h THR 208 Cb 0.00 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 1xm3 h THR 208 CO 0.00 0.00 0.10 0.00 -0.25 0.00 0.00 175.52 175.37 1xm3 h ALA 209 N 1.95 2.12 0.00 6.62 0.00 -1.90 0.41 119.26 128.46 1xm3 h ALA 209 Ca 0.04 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1xm3 h ALA 209 Cb 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xm3 h ALA 209 CO -0.00 -0.17 -1.24 0.28 0.00 0.00 0.00 179.25 178.12 1xm3 n VAL 210 N -4.49 1.49 0.24 0.00 0.31 -0.45 -3.90 118.33 111.53 1xm3 n VAL 210 Ca 0.00 0.01 0.10 0.00 -0.01 0.00 0.00 64.34 64.44 1xm3 n VAL 210 Cb 0.22 -2.18 0.62 0.00 -0.91 0.00 0.00 33.84 31.60 1xm3 n VAL 210 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1xm3 h SER 211 N -1.00 0.00 0.24 4.52 4.64 -1.23 -2.48 113.55 118.24 1xm3 h SER 211 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1xm3 h SER 211 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1xm3 h SER 211 CO -0.15 0.17 -0.16 0.61 -0.87 0.00 0.00 176.83 176.43 1xm3 n GLY 212 N -0.72 -0.66 3.81 -0.77 0.00 0.14 -4.61 105.19 102.38 1xm3 n GLY 212 Ca -0.02 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1xm3 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm3 s ALA 213 N -2.41 2.57 0.42 4.61 0.00 -0.93 -4.93 121.76 121.08 1xm3 s ALA 213 Ca 0.28 0.15 0.17 0.00 0.00 0.00 0.00 51.96 52.56 1xm3 s ALA 213 Cb 0.20 -3.20 1.03 0.00 0.00 0.00 0.00 23.12 21.15 1xm3 s ALA 213 CO 0.48 -1.36 1.97 -0.44 0.00 0.00 0.00 175.76 176.40 1xm3 h ASP 214 N -0.79 0.00 -2.81 0.00 3.32 -1.91 -3.31 116.42 110.92 1xm3 h ASP 214 Ca -0.44 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.01 1xm3 h ASP 214 Cb 1.22 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.37 1xm3 h ASP 214 CO 0.55 0.22 -0.80 -0.62 -1.72 0.00 0.00 179.24 176.87 1xm3 s ASP 215 N -6.78 2.95 0.25 6.45 -1.08 -1.26 -5.01 116.67 112.20 1xm3 s ASP 215 Ca -0.03 -3.17 -0.04 0.00 -0.52 0.00 0.00 52.55 48.79 1xm3 s ASP 215 Cb 0.15 -0.91 0.46 0.00 -1.46 0.00 0.00 42.92 41.16 1xm3 s ASP 215 CO 0.68 -0.17 1.74 -0.65 0.52 0.00 0.00 175.17 177.28 1xm3 h PRO 216 N 5.85 0.47 -0.41 4.34 0.11 -1.71 -2.45 132.00 138.20 1xm3 h PRO 216 Ca 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1xm3 h PRO 216 Cb 0.87 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 1xm3 h PRO 216 CO 0.49 0.31 0.27 0.28 -0.21 0.00 0.00 178.00 179.14 1xm3 h VAL 217 N 0.48 1.11 0.00 3.15 2.07 -1.87 0.12 116.25 121.31 1xm3 h VAL 217 Ca 0.42 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1xm3 h VAL 217 Cb 0.61 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1xm3 h VAL 217 CO -0.39 0.10 0.00 1.17 0.02 0.00 0.00 177.57 178.48 1xm3 n LYS 218 N -4.80 0.24 0.00 1.57 4.81 -0.92 -2.00 118.16 117.05 1xm3 n LYS 218 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1xm3 n LYS 218 Cb 0.02 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 33.82 1xm3 n LYS 218 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xm3 n ALA 220 N 0.65 0.00 -0.05 3.14 0.00 0.41 -0.94 120.51 123.71 1xm3 n ALA 220 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1xm3 n ALA 220 Cb 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 1xm3 n ALA 220 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xm3 h ARG 221 N 0.00 0.26 -0.47 0.00 9.65 -1.63 -2.25 114.38 119.93 1xm3 h ARG 221 Ca 0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1xm3 h ARG 221 Cb 0.00 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1xm3 h ARG 221 CO 0.00 0.53 0.00 0.00 2.80 0.00 0.00 179.97 183.30 1xm3 n ALA 222 N -2.33 0.95 0.00 2.80 0.00 -0.12 -1.88 120.51 119.94 1xm3 n ALA 222 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1xm3 n ALA 222 Cb 0.24 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1xm3 n ALA 222 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xm3 n LYS 224 N 0.55 0.00 -0.22 0.00 4.81 -0.85 -0.93 118.16 121.52 1xm3 n LYS 224 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1xm3 n LYS 224 Cb 0.00 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.11 1xm3 n LYS 224 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1xm3 h LEU 225 N 0.00 1.03 -0.53 3.14 3.38 -1.66 -2.41 115.31 118.27 1xm3 h LEU 225 Ca 0.00 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1xm3 h LEU 225 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1xm3 h LEU 225 CO 0.00 1.03 0.07 0.00 0.09 0.00 0.00 178.44 179.63 1xm3 h ALA 226 N 1.08 0.70 -0.59 1.53 0.00 -1.30 0.14 119.26 120.83 1xm3 h ALA 226 Ca 0.20 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1xm3 h ALA 226 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1xm3 h ALA 226 CO 0.02 0.45 0.10 0.28 0.00 0.00 0.00 179.25 180.10 1xm3 h VAL 227 N 0.76 1.26 -0.17 0.00 2.07 -1.81 0.84 116.25 119.20 1xm3 h VAL 227 Ca 0.16 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1xm3 h VAL 227 Cb 0.43 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1xm3 h VAL 227 CO 0.01 0.36 0.07 -0.33 0.02 0.00 0.00 177.57 177.70 1xm3 h GLU 228 N 0.87 0.25 -0.35 1.57 5.08 -1.23 -1.85 114.58 118.92 1xm3 h GLU 228 Ca 0.18 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1xm3 h GLU 228 Cb 0.41 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1xm3 h GLU 228 CO 0.01 0.33 0.20 0.00 -1.00 0.00 0.00 179.01 178.55 1xm3 h ALA 229 N 0.91 0.44 -0.83 3.43 0.00 -0.47 -0.34 119.26 122.41 1xm3 h ALA 229 Ca 0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xm3 h ALA 229 Cb 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1xm3 h ALA 229 CO -0.00 -0.15 0.41 0.78 0.00 0.00 0.00 179.25 180.28 1xm3 h GLY 230 N 0.41 1.28 0.85 0.00 0.00 -0.78 -1.15 103.07 103.68 1xm3 h GLY 230 Ca 0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1xm3 h GLY 230 CO -0.07 0.60 0.03 -0.09 0.00 0.00 0.00 176.54 177.00 1xm3 h ARG 231 N 1.18 0.40 -0.79 4.80 9.65 -0.99 -1.51 114.38 127.11 1xm3 h ARG 231 Ca 0.29 -0.11 0.04 0.00 -1.10 0.00 0.00 59.98 59.09 1xm3 h ARG 231 Cb 0.11 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.60 1xm3 h ARG 231 CO -0.04 0.54 0.50 -0.07 2.80 0.00 0.00 179.97 183.71 1xm3 h LEU 232 N 0.19 0.81 -0.47 3.80 3.38 -0.84 -1.45 115.31 120.72 1xm3 h LEU 232 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1xm3 h LEU 232 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1xm3 h LEU 232 CO 0.01 0.55 0.24 -1.28 0.09 0.00 0.00 178.44 178.04 1xm3 h SER 233 N 0.96 0.61 -0.38 -0.43 0.87 -1.03 0.11 113.55 114.26 1xm3 h SER 233 Ca 0.33 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1xm3 h SER 233 Cb 0.06 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.82 1xm3 h SER 233 CO -0.13 0.55 0.11 0.22 -0.53 0.00 0.00 176.83 177.05 1xm3 h TYR 234 N 0.62 0.19 -0.00 2.24 3.20 -0.71 -2.02 116.97 120.49 1xm3 h TYR 234 Ca 0.16 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 1xm3 h TYR 234 Cb 0.09 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1xm3 h TYR 234 CO -0.01 0.06 -0.39 0.93 -1.64 0.00 0.00 178.16 177.10 1xm3 h GLU 235 N 0.25 0.00 0.00 1.82 5.08 -0.90 -3.20 114.58 117.63 1xm3 h GLU 235 Ca 0.18 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1xm3 h GLU 235 Cb 0.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xm3 h GLU 235 CO -0.20 0.40 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 1xm3 n ALA 236 N -2.47 2.27 -2.28 3.43 0.00 0.36 -4.99 120.51 116.84 1xm3 n ALA 236 Ca -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 1xm3 n ALA 236 Cb 0.42 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.43 1xm3 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xm3 n GLY 237 N 1.35 -1.05 3.64 0.00 0.00 -1.05 -5.00 105.19 103.08 1xm3 n GLY 237 Ca 0.06 0.67 -0.30 0.00 0.00 0.00 0.00 46.02 46.45 1xm3 n GLY 237 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xm3 s ARG 238 N -1.95 0.67 0.56 1.61 1.70 -1.26 -4.99 118.95 115.29 1xm3 s ARG 238 Ca 0.14 1.16 -0.18 0.00 -0.47 0.00 0.00 55.73 56.38 1xm3 s ARG 238 Cb -0.04 -1.72 -0.05 0.00 -0.57 0.00 0.00 34.95 32.57 1xm3 s ARG 238 CO 0.44 -2.74 1.08 0.96 -1.08 0.00 0.00 175.30 173.96 1xm3 s ILE 239 N -2.69 3.50 0.97 4.99 -4.36 -1.26 -5.04 121.20 117.32 1xm3 s ILE 239 Ca 0.66 0.84 -0.16 0.00 -0.26 0.00 0.00 60.65 61.73 1xm3 s ILE 239 Cb -0.22 -3.33 0.19 0.00 1.25 0.00 0.00 42.46 40.36 1xm3 s ILE 239 CO 0.59 -0.29 1.26 -2.16 0.24 0.00 0.00 174.94 174.57 1xm3 s PRO 240 N -3.59 0.58 -0.09 0.37 0.04 -1.26 -5.02 135.00 126.03 1xm3 s PRO 240 Ca 0.68 -0.23 -0.24 0.00 0.04 0.00 0.00 61.00 61.25 1xm3 s PRO 240 Cb -0.19 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1xm3 s PRO 240 CO 0.30 -2.49 0.74 -0.51 0.04 0.00 0.00 177.00 175.08 1xm3 s LEU 241 N -6.02 4.28 0.37 -3.56 1.02 -1.26 -5.02 118.68 108.49 1xm3 s LEU 241 Ca 0.71 1.19 -0.28 0.00 0.02 0.00 0.00 54.13 55.78 1xm3 s LEU 241 Cb -0.07 -3.13 -0.10 0.00 0.02 0.00 0.00 46.19 42.92 1xm3 s LEU 241 CO 0.53 -0.18 1.35 -0.75 0.02 0.00 0.00 176.35 177.31 1xm3 s LYS 242 N 1.12 4.17 -0.30 1.70 2.20 -1.26 -4.98 119.74 122.39 1xm3 s LYS 242 Ca 0.38 2.28 -0.12 0.00 -0.36 0.00 0.00 55.97 58.15 1xm3 s LYS 242 Cb -0.18 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 1xm3 s LYS 242 CO 0.17 -0.37 0.20 -0.65 -0.36 0.00 0.00 175.35 174.35 1xm3 s GLN 243 N -2.01 3.74 -0.12 4.03 -0.21 -1.26 -4.94 119.66 118.90 1xm3 s GLN 243 Ca 0.52 -0.46 0.19 0.00 0.02 0.00 0.00 55.36 55.63 1xm3 s GLN 243 Cb -0.41 -3.70 -0.28 0.00 1.00 0.00 0.00 33.01 29.62 1xm3 s GLN 243 CO 0.54 -0.29 0.25 0.66 -2.12 0.00 0.00 175.29 174.33 1xm3 n TYR 244 N 5.07 0.00 -2.88 0.91 4.02 -1.26 -5.02 117.16 118.00 1xm3 n TYR 244 Ca -0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.67 1xm3 n TYR 244 Cb 0.51 -0.76 0.03 0.00 -0.02 0.00 0.00 39.34 39.10 1xm3 n TYR 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xm3 n GLY 245 N 1.56 0.37 4.00 2.72 0.00 -1.25 -5.05 105.19 107.53 1xm3 n GLY 245 Ca -0.19 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 1xm3 n GLY 245 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xm3 s THR 246 N -3.12 2.57 0.50 2.61 -4.23 -1.26 -5.00 115.64 107.72 1xm3 s THR 246 Ca 0.20 -1.07 0.36 0.00 -1.18 0.00 0.00 61.69 60.00 1xm3 s THR 246 Cb -0.09 -2.64 0.39 0.00 1.34 0.00 0.00 72.50 71.49 1xm3 s THR 246 CO 0.27 0.00 2.22 0.00 -0.54 0.00 0.00 174.62 176.57 1xm3 h ALA 247 N 0.53 1.16 0.00 3.99 0.00 -1.97 -1.68 119.26 121.28 1xm3 h ALA 247 Ca -0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xm3 h ALA 247 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xm3 h ALA 247 CO 0.46 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.61 1xm3 n SER 248 N -3.36 0.23 -3.53 0.00 3.41 -1.26 -3.60 113.62 105.51 1xm3 n SER 248 Ca -0.02 0.56 -0.27 0.00 -0.26 0.00 0.00 58.87 58.88 1xm3 n SER 248 Cb 0.15 -0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 63.40 1xm3 n SER 248 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xm3 n SER 249 N -1.76 2.28 -4.68 4.04 7.64 -0.63 -5.10 113.62 115.40 1xm3 n SER 249 Ca 0.03 -3.08 -0.45 0.00 1.01 0.00 0.00 58.87 56.38 1xm3 n SER 249 Cb 0.19 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 1xm3 n SER 249 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1xm3 n PRO 250 N 1.61 2.44 0.00 1.43 -0.04 -1.24 -1.79 135.00 137.41 1xm3 n PRO 250 Ca 0.25 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.60 1xm3 n PRO 250 Cb 0.42 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1xm3 n PRO 250 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xm3 n GLY 251 N 3.90 3.47 0.00 0.55 0.00 -1.26 -5.17 105.19 106.67 1xm3 n GLY 251 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1xm3 n GLY 251 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11