#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 3.92 -0.08 2.46 2.96 -1.20 -5.12 118.68 121.62 1xm3 s LEU 4 Ca 0.00 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 1xm3 s LEU 4 Cb 0.00 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.67 1xm3 s LEU 4 CO 0.00 0.08 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.15 1xm3 s THR 5 N 0.97 0.86 -0.06 3.68 2.01 -1.26 -0.29 115.64 121.56 1xm3 s THR 5 Ca 0.06 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1xm3 s THR 5 Cb -0.14 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1xm3 s THR 5 CO 0.03 0.32 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.61 1xm3 s ILE 6 N 1.29 0.56 -1.62 1.82 1.01 0.50 -4.70 121.20 120.06 1xm3 s ILE 6 Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 1xm3 s ILE 6 Cb -0.14 -0.61 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1xm3 s ILE 6 CO -0.03 0.25 0.30 0.61 0.00 0.00 0.00 174.94 176.08 1xm3 n GLY 7 N 4.36 -0.51 2.74 6.18 0.00 -1.26 -1.24 105.19 115.46 1xm3 n GLY 7 Ca -0.20 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.25 2.34 3.83 -0.02 0.00 -1.26 -5.01 105.19 103.82 1xm3 n GLY 8 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.09 3.74 0.13 1.61 2.20 -0.37 -5.07 119.74 121.88 1xm3 s LYS 9 Ca 0.00 -0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.62 1xm3 s LYS 9 Cb 0.00 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1xm3 s LYS 9 CO 0.00 0.63 0.20 -1.12 -0.36 0.00 0.00 175.35 174.69 1xm3 s SER 10 N -0.65 5.97 -0.01 1.43 0.01 -1.26 -0.37 113.70 118.81 1xm3 s SER 10 Ca 0.16 0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.50 1xm3 s SER 10 Cb -0.13 -1.71 0.01 0.00 0.21 0.00 0.00 66.02 64.40 1xm3 s SER 10 CO 0.05 0.10 -0.04 -0.36 0.41 0.00 0.00 173.24 173.39 1xm3 s PHE 11 N -1.65 0.47 0.24 2.43 0.08 0.61 -4.98 117.98 115.17 1xm3 s PHE 11 Ca 0.33 -0.09 0.10 0.00 0.12 0.00 0.00 56.93 57.39 1xm3 s PHE 11 Cb -0.11 -0.37 0.27 0.00 -0.57 0.00 0.00 43.02 42.24 1xm3 s PHE 11 CO 0.26 -0.06 1.56 1.96 -0.10 0.00 0.00 175.22 178.84 1xm3 h GLN 12 N 6.43 0.00 -5.51 0.44 4.20 -1.95 -3.18 115.11 115.54 1xm3 h GLN 12 Ca -0.32 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 57.75 1xm3 h GLN 12 Cb 1.18 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.82 1xm3 h GLN 12 CO 0.49 0.67 -0.55 0.45 -0.67 0.00 0.00 178.83 179.22 1xm3 s SER 13 N -6.81 5.75 -0.05 1.46 0.15 -1.26 -4.89 113.70 108.06 1xm3 s SER 13 Ca -0.01 0.19 0.15 0.00 0.70 0.00 0.00 55.95 56.99 1xm3 s SER 13 Cb 0.12 -1.89 0.52 0.00 -1.71 0.00 0.00 66.02 63.06 1xm3 s SER 13 CO 0.77 0.27 1.41 0.54 1.20 0.00 0.00 173.24 177.44 1xm3 n ARG 14 N 2.88 2.72 -3.73 5.44 1.74 -1.26 -4.65 116.66 119.80 1xm3 n ARG 14 Ca -0.18 -2.09 -0.38 0.00 -0.77 0.00 0.00 57.85 54.44 1xm3 n ARG 14 Cb 0.53 -1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.28 3.93 -0.14 0.55 2.96 -1.26 -1.61 118.68 121.82 1xm3 s LEU 15 Ca 0.38 -0.67 -0.11 0.00 -0.22 0.00 0.00 54.13 53.51 1xm3 s LEU 15 Cb 0.22 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1xm3 s LEU 15 CO 0.22 -0.20 0.22 -0.76 -1.32 0.00 0.00 176.35 174.51 1xm3 s LEU 16 N 1.53 4.31 -0.03 -0.68 1.02 0.21 -4.18 118.68 120.85 1xm3 s LEU 16 Ca 0.03 0.48 0.07 0.00 0.02 0.00 0.00 54.13 54.73 1xm3 s LEU 16 Cb -0.17 -2.24 -0.01 0.00 0.02 0.00 0.00 46.19 43.79 1xm3 s LEU 16 CO 0.03 0.24 -0.23 -0.22 0.02 0.00 0.00 176.35 176.19 1xm3 s LEU 17 N -0.21 2.04 0.40 1.79 2.96 -0.86 -1.33 118.68 123.47 1xm3 s LEU 17 Ca 0.15 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 1xm3 s LEU 17 Cb -0.13 -1.24 -0.06 0.00 0.50 0.00 0.00 46.19 45.27 1xm3 s LEU 17 CO 0.04 0.26 0.74 -0.83 -1.32 0.00 0.00 176.35 175.24 1xm3 s GLY 18 N -0.35 1.88 0.22 7.98 0.00 -0.20 -1.00 107.32 115.85 1xm3 s GLY 18 Ca 0.03 -0.28 0.05 0.00 0.00 0.00 0.00 44.72 44.51 1xm3 s GLY 18 CO 0.01 -0.11 -0.04 -0.51 0.00 0.00 0.00 173.10 172.45 1xm3 s THR 19 N -2.38 1.24 0.00 0.90 -4.23 -0.25 -4.86 115.64 106.06 1xm3 s THR 19 Ca 0.50 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1xm3 s THR 19 Cb -0.10 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.50 1xm3 s THR 19 CO 0.33 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1xm3 n GLY 20 N -0.40 2.94 0.37 3.99 0.00 -1.26 -4.64 105.19 106.19 1xm3 n GLY 20 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.15 2.08 -1.69 1.61 4.01 -1.26 -5.00 118.16 116.76 1xm3 n LYS 21 Ca 0.00 -2.53 -0.31 0.00 -0.51 0.00 0.00 58.31 54.96 1xm3 n LYS 21 Cb 0.00 -1.55 0.05 0.00 -0.51 0.00 0.00 35.03 33.02 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 -2.57 3.20 0.47 2.13 2.02 -1.26 -4.73 117.35 116.61 1xm3 s TYR 22 Ca 0.32 1.26 0.15 0.00 -0.37 0.00 0.00 57.07 58.42 1xm3 s TYR 22 Cb 0.26 -2.94 1.08 0.00 -0.40 0.00 0.00 41.96 39.96 1xm3 s TYR 22 CO 0.05 -1.23 2.04 -1.35 -1.57 0.00 0.00 175.55 173.49 1xm3 h PRO 23 N -0.71 0.01 -2.89 -1.71 0.11 -1.97 -3.46 132.00 121.38 1xm3 h PRO 23 Ca -0.45 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1xm3 h PRO 23 Cb 1.23 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1xm3 h PRO 23 CO 0.60 0.13 0.27 -1.54 -0.21 0.00 0.00 178.00 177.25 1xm3 s SER 24 N -7.02 -0.30 0.31 -2.05 1.04 -1.26 -5.04 113.70 99.37 1xm3 s SER 24 Ca -0.04 -0.47 0.14 0.00 0.48 0.00 0.00 55.95 56.05 1xm3 s SER 24 Cb 0.16 0.67 0.45 0.00 0.10 0.00 0.00 66.02 67.40 1xm3 s SER 24 CO 0.69 -1.21 1.64 -0.26 0.98 0.00 0.00 173.24 175.08 1xm3 h PHE 25 N 2.00 0.00 -0.24 5.02 0.04 -1.93 -1.45 116.94 120.38 1xm3 h PHE 25 Ca -0.22 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.49 1xm3 h PHE 25 Cb 1.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 1xm3 h PHE 25 CO 0.39 0.53 -0.08 -0.44 -0.60 0.00 0.00 178.31 178.11 1xm3 h ASP 26 N 0.00 0.49 -0.34 2.17 3.32 -1.96 -0.67 116.42 119.43 1xm3 h ASP 26 Ca -0.01 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 1xm3 h ASP 26 Cb 1.05 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1xm3 h ASP 26 CO 0.07 0.76 0.07 0.40 -1.72 0.00 0.00 179.24 178.82 1xm3 h ILE 27 N 0.21 1.23 -0.44 0.35 2.04 -1.95 -1.47 117.51 117.48 1xm3 h ILE 27 Ca 0.06 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1xm3 h ILE 27 Cb 0.55 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1xm3 h ILE 27 CO 0.03 0.26 0.20 -0.61 0.00 0.00 0.00 178.15 178.03 1xm3 h GLN 28 N 0.40 0.40 -0.57 2.37 4.15 -1.20 0.17 115.11 120.83 1xm3 h GLN 28 Ca 0.11 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1xm3 h GLN 28 Cb 0.32 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1xm3 h GLN 28 CO 0.00 0.26 0.37 -0.22 -1.93 0.00 0.00 178.83 177.32 1xm3 h LYS 29 N 0.41 0.76 -0.45 1.69 3.64 -0.90 -0.15 116.57 121.57 1xm3 h LYS 29 Ca 0.19 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1xm3 h LYS 29 Cb 0.12 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1xm3 h LYS 29 CO -0.15 0.51 -0.25 1.49 -2.27 0.00 0.00 179.45 178.79 1xm3 h GLU 30 N 0.77 0.95 -0.27 1.90 4.81 -0.79 -1.81 114.58 120.14 1xm3 h GLU 30 Ca 0.21 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1xm3 h GLU 30 Cb -0.07 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1xm3 h GLU 30 CO -0.04 1.10 0.14 0.00 -0.73 0.00 0.00 179.01 179.47 1xm3 h ALA 31 N 0.83 0.35 -0.45 2.92 0.00 -0.39 -0.46 119.26 122.05 1xm3 h ALA 31 Ca 0.10 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xm3 h ALA 31 Cb 0.83 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1xm3 h ALA 31 CO 0.07 -0.11 0.28 0.28 0.00 0.00 0.00 179.25 179.77 1xm3 h VAL 32 N 0.31 1.07 0.33 0.00 2.07 -0.98 -1.28 116.25 117.77 1xm3 h VAL 32 Ca 0.09 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1xm3 h VAL 32 Cb 0.09 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1xm3 h VAL 32 CO -0.01 0.10 -0.16 0.00 0.02 0.00 0.00 177.57 177.51 1xm3 h ALA 33 N 1.19 -0.45 0.00 1.67 0.00 -0.97 -2.75 119.26 117.95 1xm3 h ALA 33 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xm3 h ALA 33 Cb -0.01 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xm3 h ALA 33 CO -0.07 -0.76 -0.09 -0.39 0.00 0.00 0.00 179.25 177.94 1xm3 h VAL 34 N -0.45 0.39 0.00 0.00 -1.51 -1.00 -2.12 116.25 111.56 1xm3 h VAL 34 Ca -0.04 -0.51 -0.06 0.00 -1.23 0.00 0.00 66.70 64.86 1xm3 h VAL 34 Cb 0.35 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 1xm3 h VAL 34 CO 0.07 0.09 -0.27 0.77 -1.23 0.00 0.00 177.57 177.00 1xm3 h SER 35 N 0.00 0.00 -0.22 4.19 4.64 -0.94 -3.42 113.55 117.80 1xm3 h SER 35 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1xm3 h SER 35 Cb 0.36 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 1xm3 h SER 35 CO 0.01 0.27 -0.08 -0.62 -0.87 0.00 0.00 176.83 175.54 1xm3 n GLU 36 N -3.44 -1.28 -1.77 4.77 1.02 -0.80 -4.71 120.64 114.42 1xm3 n GLU 36 Ca -0.00 0.56 -0.36 0.00 -0.02 0.00 0.00 57.16 57.34 1xm3 n GLU 36 Cb 0.45 -4.63 0.06 0.00 -0.02 0.00 0.00 31.44 27.30 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 -2.26 4.75 -0.01 1.62 0.15 -1.26 -4.61 113.70 112.08 1xm3 s SER 37 Ca 0.00 2.44 0.09 0.00 0.70 0.00 0.00 55.95 59.19 1xm3 s SER 37 Cb 0.00 -2.60 -0.13 0.00 -1.71 0.00 0.00 66.02 61.58 1xm3 s SER 37 CO 0.00 -1.89 0.26 0.47 1.20 0.00 0.00 173.24 173.27 1xm3 n ASP 38 N -2.00 2.17 -4.14 5.45 8.00 -1.26 -4.97 116.55 119.81 1xm3 n ASP 38 Ca 0.14 -0.20 -0.32 0.00 0.71 0.00 0.00 54.79 55.12 1xm3 n ASP 38 Cb 0.49 1.31 -0.16 0.00 -0.02 0.00 0.00 41.12 42.74 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 -2.42 1.96 -0.06 0.53 1.01 -1.26 -0.50 121.20 120.45 1xm3 s ILE 39 Ca -0.01 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.77 1xm3 s ILE 39 Cb 0.06 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 1xm3 s ILE 39 CO 0.38 0.53 -0.16 -0.76 0.00 0.00 0.00 174.94 174.93 1xm3 s LEU 40 N 0.98 2.59 0.21 2.97 1.43 -0.94 -2.02 118.68 123.89 1xm3 s LEU 40 Ca -0.04 -0.28 0.09 0.00 -1.03 0.00 0.00 54.13 52.87 1xm3 s LEU 40 Cb -0.15 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1xm3 s LEU 40 CO -0.05 0.30 -0.07 0.28 0.23 0.00 0.00 176.35 177.04 1xm3 s THR 41 N -0.45 3.24 -0.23 5.49 -1.32 -0.17 -0.90 115.64 121.30 1xm3 s THR 41 Ca 0.05 -1.76 -0.26 0.00 -1.21 0.00 0.00 61.69 58.51 1xm3 s THR 41 Cb -0.12 -2.65 0.08 0.00 -1.51 0.00 0.00 72.50 68.30 1xm3 s THR 41 CO 0.02 -0.20 0.79 0.72 -2.21 0.00 0.00 174.62 173.73 1xm3 s PHE 42 N -1.93 -0.69 -0.89 9.09 -0.71 -1.22 -1.09 117.98 120.55 1xm3 s PHE 42 Ca 0.27 1.60 -0.25 0.00 -1.04 0.00 0.00 56.93 57.51 1xm3 s PHE 42 Cb -0.08 0.32 0.04 0.00 -1.21 0.00 0.00 43.02 42.09 1xm3 s PHE 42 CO 0.17 -0.39 1.37 0.00 -1.34 0.00 0.00 175.22 175.03 1xm3 s ALA 43 N 0.04 2.73 0.43 1.99 0.00 -1.26 -0.89 121.76 124.79 1xm3 s ALA 43 Ca -0.01 -1.83 0.19 0.00 0.00 0.00 0.00 51.96 50.31 1xm3 s ALA 43 Cb -0.04 -4.40 1.13 0.00 0.00 0.00 0.00 23.12 19.81 1xm3 s ALA 43 CO 0.01 -3.47 1.83 0.28 0.00 0.00 0.00 175.76 174.42 1xm3 h VAL 44 N 6.44 0.62 -0.11 0.00 2.07 -1.86 -0.58 116.25 122.82 1xm3 h VAL 44 Ca -0.03 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1xm3 h VAL 44 Cb 1.03 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1xm3 h VAL 44 CO 1.36 0.07 0.09 0.03 0.02 0.00 0.00 177.57 179.13 1xm3 h ARG 45 N 0.36 0.00 -2.16 1.57 2.47 -1.81 -3.44 114.38 111.37 1xm3 h ARG 45 Ca 0.50 0.00 -0.79 0.00 -1.26 0.00 0.00 59.98 58.44 1xm3 h ARG 45 Cb 1.33 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.37 1xm3 h ARG 45 CO -0.19 0.00 0.96 0.54 0.56 0.00 0.00 179.97 181.84 1xm3 n ARG 46 N -4.34 4.50 0.02 0.04 1.74 -0.23 -4.96 116.66 113.43 1xm3 n ARG 46 Ca -0.00 -4.32 -0.03 0.00 -0.77 0.00 0.00 57.85 52.73 1xm3 n ARG 46 Cb 0.20 -2.40 -0.10 0.00 -1.02 0.00 0.00 32.46 29.15 1xm3 n ARG 46 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 1xm3 h ASN 48 N 3.76 0.00 0.00 0.55 -1.07 -1.21 -3.38 115.58 114.23 1xm3 h ASN 48 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.90 1xm3 h ASN 48 Cb 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.49 1xm3 h ASN 48 CO 1.24 0.73 0.00 2.30 0.07 0.00 0.00 177.43 181.78 1xm3 n ILE 49 N -2.99 0.88 -2.33 6.14 -5.35 -1.26 -4.44 119.36 110.01 1xm3 n ILE 49 Ca -0.10 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1xm3 n ILE 49 Cb 0.91 -1.15 0.00 0.00 -1.74 0.00 0.00 39.64 37.66 1xm3 n ILE 49 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1xm3 n PHE 50 N 1.55 0.00 0.00 4.28 3.72 -1.26 -5.02 117.46 120.73 1xm3 n PHE 50 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1xm3 n PHE 50 Cb 0.25 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 1xm3 n PHE 50 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1xm3 n GLU 51 N 0.00 0.00 -2.28 -1.08 0.00 -1.26 -4.80 120.64 111.22 1xm3 n GLU 51 Ca 0.00 0.13 -0.34 0.00 0.00 0.00 0.00 57.16 56.95 1xm3 n GLU 51 Cb 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 31.44 30.50 1xm3 n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xm3 s ALA 52 N -2.82 2.74 -0.77 -1.84 0.00 -1.26 -4.92 121.76 112.89 1xm3 s ALA 52 Ca 0.00 0.67 -0.26 0.00 0.00 0.00 0.00 51.96 52.38 1xm3 s ALA 52 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1xm3 s ALA 52 CO 0.00 -0.67 1.60 -1.12 0.00 0.00 0.00 175.76 175.57 1xm3 s SER 53 N -2.04 5.77 0.71 0.00 0.01 -1.26 -4.76 113.70 112.13 1xm3 s SER 53 Ca 0.69 -0.38 -0.04 0.00 1.31 0.00 0.00 55.95 57.53 1xm3 s SER 53 Cb -0.20 -2.55 0.10 0.00 0.21 0.00 0.00 66.02 63.58 1xm3 s SER 53 CO 0.27 -2.10 1.00 -1.10 0.41 0.00 0.00 173.24 171.72 1xm3 s GLN 54 N 6.24 1.88 0.75 12.44 -0.21 -1.26 -4.92 119.66 134.58 1xm3 s GLN 54 Ca 0.53 -0.71 -0.11 0.00 0.02 0.00 0.00 55.36 55.09 1xm3 s GLN 54 Cb -0.08 -2.26 0.04 0.00 1.00 0.00 0.00 33.01 31.72 1xm3 s GLN 54 CO 0.11 -1.36 1.08 -1.25 -2.12 0.00 0.00 175.29 171.75 1xm3 s PRO 55 N -5.19 2.42 -0.69 2.91 0.04 -1.26 -2.84 135.00 130.39 1xm3 s PRO 55 Ca 0.64 1.04 -0.16 0.00 0.04 0.00 0.00 61.00 62.55 1xm3 s PRO 55 Cb -0.08 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.69 1xm3 s PRO 55 CO 0.44 -1.49 0.71 1.21 0.04 0.00 0.00 177.00 177.91 1xm3 s ASN 56 N -3.57 6.42 0.62 6.66 2.47 -1.26 -1.87 114.94 124.42 1xm3 s ASN 56 Ca 0.60 -2.01 0.30 0.00 0.42 0.00 0.00 52.86 52.17 1xm3 s ASN 56 Cb -0.16 -2.26 1.60 0.00 -1.45 0.00 0.00 41.25 38.98 1xm3 s ASN 56 CO 0.56 -0.86 1.95 -0.26 -3.72 0.00 0.00 177.10 174.77 1xm3 h PHE 57 N 8.61 0.00 -0.50 0.43 0.04 -1.93 -1.06 116.94 122.53 1xm3 h PHE 57 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1xm3 h PHE 57 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1xm3 h PHE 57 CO 0.90 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 179.89 1xm3 n LEU 58 N -3.35 3.86 -4.77 1.54 4.77 -1.26 -4.36 117.00 113.43 1xm3 n LEU 58 Ca 0.02 -1.95 -0.41 0.00 -0.03 0.00 0.00 56.01 53.65 1xm3 n LEU 58 Cb 0.47 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1xm3 n LEU 58 CO 0.21 0.64 1.14 -0.70 -1.33 0.00 0.00 177.39 177.35 1xm3 s GLU 59 N -1.83 4.15 0.00 3.23 2.12 -0.41 -2.45 118.70 123.51 1xm3 s GLU 59 Ca 0.40 2.52 0.00 0.00 0.36 0.00 0.00 54.97 58.25 1xm3 s GLU 59 Cb 0.26 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.65 1xm3 s GLU 59 CO 0.18 -0.51 0.00 1.04 -0.54 0.00 0.00 175.26 175.43 1xm3 n GLN 60 N 1.00 0.00 -3.55 4.30 6.02 -1.26 -4.94 117.38 118.95 1xm3 n GLN 60 Ca 0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.64 1xm3 n GLN 60 Cb 0.39 -2.63 -0.06 0.00 1.02 0.00 0.00 30.24 28.96 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 4.43 -0.80 1.08 1.43 -1.03 -5.00 118.68 118.79 1xm3 s LEU 61 Ca 0.00 0.84 -0.21 0.00 -1.03 0.00 0.00 54.13 53.73 1xm3 s LEU 61 Cb 0.00 -2.50 0.09 0.00 0.03 0.00 0.00 46.19 43.81 1xm3 s LEU 61 CO 0.00 0.30 1.09 -0.62 0.23 0.00 0.00 176.35 177.35 1xm3 s ASP 62 N -0.84 6.38 0.10 2.29 3.68 -1.26 -4.88 116.67 122.12 1xm3 s ASP 62 Ca 0.22 -1.40 0.12 0.00 2.13 0.00 0.00 52.55 53.62 1xm3 s ASP 62 Cb -0.16 -2.43 0.55 0.00 -1.45 0.00 0.00 42.92 39.43 1xm3 s ASP 62 CO 0.11 -1.33 1.37 0.18 0.13 0.00 0.00 175.17 175.63 1xm3 n LEU 63 N 7.49 0.20 0.00 -1.34 4.77 -1.26 -1.94 117.00 124.93 1xm3 n LEU 63 Ca 0.11 0.57 0.09 0.00 -0.03 0.00 0.00 56.01 56.75 1xm3 n LEU 63 Cb 0.48 -0.57 0.42 0.00 -2.33 0.00 0.00 43.42 41.41 1xm3 n LEU 63 CO 0.60 -0.51 0.81 -1.54 -1.33 0.00 0.00 177.39 175.41 1xm3 n SER 64 N -1.75 0.00 -0.87 -1.43 3.41 -1.26 -2.36 113.62 109.36 1xm3 n SER 64 Ca 0.01 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 1xm3 n SER 64 Cb 0.09 -0.50 0.21 0.00 -0.26 0.00 0.00 64.21 63.76 1xm3 n SER 64 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xm3 n LYS 65 N -1.50 2.19 -4.13 4.33 5.02 -0.82 -4.97 118.16 118.29 1xm3 n LYS 65 Ca 0.05 -1.74 -0.10 0.00 -2.02 0.00 0.00 58.31 54.49 1xm3 n LYS 65 Cb 0.23 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.93 0.75 -0.19 2.13 2.02 -1.00 -4.89 117.35 114.25 1xm3 s TYR 66 Ca 0.32 -0.86 -0.10 0.00 -0.37 0.00 0.00 57.07 56.06 1xm3 s TYR 66 Cb 0.20 -0.46 -0.05 0.00 -0.40 0.00 0.00 41.96 41.26 1xm3 s TYR 66 CO 0.31 -0.18 0.13 0.99 -1.57 0.00 0.00 175.55 175.23 1xm3 s THR 67 N -3.20 5.42 -0.18 -0.71 2.01 0.35 -4.98 115.64 114.36 1xm3 s THR 67 Ca 0.06 0.20 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 1xm3 s THR 67 Cb 0.03 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1xm3 s THR 67 CO -0.05 0.46 0.45 -0.76 -0.69 0.00 0.00 174.62 174.04 1xm3 s LEU 68 N 0.17 4.19 -0.67 4.42 1.43 -1.26 -2.23 118.68 124.73 1xm3 s LEU 68 Ca 0.09 0.65 0.05 0.00 -1.03 0.00 0.00 54.13 53.89 1xm3 s LEU 68 Cb -0.11 -2.62 0.20 0.00 0.03 0.00 0.00 46.19 43.69 1xm3 s LEU 68 CO -0.01 -0.08 0.60 -0.11 0.23 0.00 0.00 176.35 176.98 1xm3 n LEU 69 N 4.30 3.23 -4.74 1.79 7.94 -0.08 -1.53 117.00 127.91 1xm3 n LEU 69 Ca -0.07 -5.29 -0.37 0.00 -1.11 0.00 0.00 56.01 49.17 1xm3 n LEU 69 Cb 0.51 -0.67 0.05 0.00 0.53 0.00 0.00 43.42 43.83 1xm3 n LEU 69 CO 0.41 1.89 0.92 -2.16 -1.11 0.00 0.00 177.39 177.34 1xm3 s PRO 70 N -1.87 2.91 0.30 1.96 0.04 -1.26 -3.43 135.00 133.66 1xm3 s PRO 70 Ca 0.32 2.07 0.11 0.00 0.04 0.00 0.00 61.00 63.53 1xm3 s PRO 70 Cb 0.04 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1xm3 s PRO 70 CO -0.10 -1.32 -0.15 0.54 0.04 0.00 0.00 177.00 176.02 1xm3 s ASN 71 N -1.27 3.72 -0.38 6.66 2.20 -0.06 -1.01 114.94 124.80 1xm3 s ASN 71 Ca 0.77 -1.06 0.07 0.00 -0.94 0.00 0.00 52.86 51.69 1xm3 s ASN 71 Cb -0.37 -0.36 0.69 0.00 -2.00 0.00 0.00 41.25 39.21 1xm3 s ASN 71 CO 0.41 -0.05 1.84 0.35 -2.94 0.00 0.00 177.10 176.71 1xm3 n THR 72 N -0.71 3.00 -1.65 0.54 -2.24 -0.76 -3.23 114.28 109.25 1xm3 n THR 72 Ca -0.05 -1.71 -0.46 0.00 -2.27 0.00 0.00 64.05 59.56 1xm3 n THR 72 Cb 0.61 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.60 0.62 0.00 6.98 0.00 -1.26 -1.48 120.51 124.77 1xm3 n ALA 73 Ca 0.49 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.36 1xm3 n ALA 73 Cb 1.50 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 2.14 2.42 3.74 0.00 0.00 -1.26 -4.48 105.19 107.75 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 -2.42 3.35 -0.29 4.61 0.00 -0.55 -4.93 121.76 121.53 1xm3 s ALA 75 Ca 0.00 0.75 0.13 0.00 0.00 0.00 0.00 51.96 52.84 1xm3 s ALA 75 Cb 0.00 -3.30 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 1xm3 s ALA 75 CO 0.00 -0.08 0.40 0.43 0.00 0.00 0.00 175.76 176.51 1xm3 n SER 76 N 1.98 1.36 -4.16 0.00 7.64 -1.26 -3.34 113.62 115.84 1xm3 n SER 76 Ca 0.01 -0.37 -0.10 0.00 1.01 0.00 0.00 58.87 59.41 1xm3 n SER 76 Cb 0.46 1.31 -0.10 0.00 -1.01 0.00 0.00 64.21 64.88 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 -2.56 0.30 0.30 0.44 -4.23 -1.26 -4.87 115.64 103.75 1xm3 s THR 77 Ca -0.00 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1xm3 s THR 77 Cb 0.09 -1.95 0.24 0.00 1.34 0.00 0.00 72.50 72.21 1xm3 s THR 77 CO 0.53 -0.58 1.94 0.00 -0.54 0.00 0.00 174.62 175.96 1xm3 h ALA 78 N 2.88 1.37 -0.29 3.99 0.00 -1.96 -1.89 119.26 123.36 1xm3 h ALA 78 Ca -0.35 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1xm3 h ALA 78 Cb 1.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1xm3 h ALA 78 CO 0.61 0.54 0.14 0.93 0.00 0.00 0.00 179.25 181.47 1xm3 h GLU 79 N 1.03 0.29 -0.43 0.00 3.07 -1.96 -0.25 114.58 116.33 1xm3 h GLU 79 Ca 0.27 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 59.03 1xm3 h GLU 79 Cb -0.03 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1xm3 h GLU 79 CO -0.05 0.19 -0.07 0.93 -1.40 0.00 0.00 179.01 178.62 1xm3 h GLU 80 N 0.30 0.73 -0.54 2.33 5.08 -1.88 -2.02 114.58 118.58 1xm3 h GLU 80 Ca 0.12 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1xm3 h GLU 80 Cb 0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1xm3 h GLU 80 CO -0.08 0.79 0.08 0.00 -1.00 0.00 0.00 179.01 178.80 1xm3 h ALA 81 N 1.26 0.72 -0.61 3.43 0.00 -0.87 -1.75 119.26 121.44 1xm3 h ALA 81 Ca 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1xm3 h ALA 81 Cb 0.51 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1xm3 h ALA 81 CO 0.03 0.47 0.30 0.28 0.00 0.00 0.00 179.25 180.32 1xm3 h VAL 82 N 0.79 1.21 -0.78 0.00 2.07 -0.79 -1.23 116.25 117.52 1xm3 h VAL 82 Ca 0.16 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1xm3 h VAL 82 Cb 0.41 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1xm3 h VAL 82 CO 0.01 0.24 0.42 0.03 0.02 0.00 0.00 177.57 178.29 1xm3 h ARG 83 N 0.84 1.10 -0.63 1.57 3.08 -1.17 -0.12 114.38 119.04 1xm3 h ARG 83 Ca 0.21 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1xm3 h ARG 83 Cb 0.11 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1xm3 h ARG 83 CO -0.03 0.82 0.09 0.82 -1.07 0.00 0.00 179.97 180.60 1xm3 h ILE 84 N 1.09 1.26 -0.56 2.04 2.04 -1.00 -1.34 117.51 121.04 1xm3 h ILE 84 Ca 0.27 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 1xm3 h ILE 84 Cb 0.05 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1xm3 h ILE 84 CO -0.04 0.39 0.04 0.00 0.00 0.00 0.00 178.15 178.53 1xm3 h ALA 85 N 1.03 0.74 -0.79 1.87 0.00 -0.85 -1.86 119.26 119.41 1xm3 h ALA 85 Ca 0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xm3 h ALA 85 Cb 0.46 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1xm3 h ALA 85 CO 0.02 0.54 0.37 0.00 0.00 0.00 0.00 179.25 180.17 1xm3 h ARG 86 N 0.84 1.13 0.05 0.00 3.08 -0.79 -1.67 114.38 117.02 1xm3 h ARG 86 Ca 0.16 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1xm3 h ARG 86 Cb 0.49 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1xm3 h ARG 86 CO 0.02 0.88 -0.02 1.25 -1.07 0.00 0.00 179.97 181.03 1xm3 h LEU 87 N 1.12 -0.05 -0.57 3.04 6.46 -0.93 -0.88 115.31 123.51 1xm3 h LEU 87 Ca 0.27 -0.06 0.06 0.00 -0.12 0.00 0.00 57.88 58.04 1xm3 h LEU 87 Cb 0.12 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.01 1xm3 h LEU 87 CO -0.03 0.02 0.27 0.00 -0.62 0.00 0.00 178.44 178.08 1xm3 h ALA 88 N 0.83 0.74 -0.39 1.25 0.00 -1.06 -0.83 119.26 119.79 1xm3 h ALA 88 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xm3 h ALA 88 Cb 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xm3 h ALA 88 CO 0.01 -0.09 0.26 -0.22 0.00 0.00 0.00 179.25 179.21 1xm3 h LYS 89 N 0.51 0.51 0.00 0.00 3.64 -1.08 -1.75 116.57 118.40 1xm3 h LYS 89 Ca 0.26 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1xm3 h LYS 89 Cb 0.22 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1xm3 h LYS 89 CO -0.20 0.34 -0.21 0.00 -2.27 0.00 0.00 179.45 177.11 1xm3 h ALA 90 N 1.14 1.23 -0.02 5.00 0.00 -0.63 -2.11 119.26 123.88 1xm3 h ALA 90 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xm3 h ALA 90 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xm3 h ALA 90 CO -0.03 0.26 0.00 0.43 0.00 0.00 0.00 179.25 179.90 1xm3 n SER 91 N -3.68 0.86 -0.80 0.00 7.64 -0.37 -4.91 113.62 112.37 1xm3 n SER 91 Ca -0.01 -1.33 -0.09 0.00 1.01 0.00 0.00 58.87 58.44 1xm3 n SER 91 Cb 0.33 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 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 1.08 0.76 2.30 0.23 0.00 -0.79 -4.94 105.19 103.84 1xm3 n GLY 92 Ca 0.20 -0.59 -0.26 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 -1.12 4.86 -3.46 0.99 4.77 -0.71 -4.99 117.00 117.35 1xm3 n LEU 93 Ca -0.10 -5.02 -0.14 0.00 -0.03 0.00 0.00 56.01 50.72 1xm3 n LEU 93 Cb 0.38 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.94 1xm3 n LEU 93 CO 0.13 2.18 -0.14 0.00 -1.33 0.00 0.00 177.39 178.23 1xm3 n ASP 95 N 5.34 1.06 -3.75 0.00 8.00 -0.58 -4.91 116.55 121.70 1xm3 n ASP 95 Ca -0.05 -1.03 -0.13 0.00 0.71 0.00 0.00 54.79 54.29 1xm3 n ASP 95 Cb 0.50 0.92 -0.14 0.00 -0.02 0.00 0.00 41.12 42.38 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 -2.72 -0.04 -0.41 0.53 1.10 -0.16 -4.65 121.20 114.86 1xm3 s ILE 97 Ca 0.09 0.14 -0.18 0.00 -0.51 0.00 0.00 60.65 60.19 1xm3 s ILE 97 Cb 0.15 -0.30 0.02 0.00 0.15 0.00 0.00 42.46 42.47 1xm3 s ILE 97 CO 0.74 0.06 0.51 -0.75 -2.11 0.00 0.00 174.94 173.38 1xm3 s LYS 98 N 1.05 3.28 -0.36 3.50 2.20 -0.18 -1.45 119.74 127.77 1xm3 s LYS 98 Ca -0.08 -0.51 -0.25 0.00 -0.36 0.00 0.00 55.97 54.77 1xm3 s LYS 98 Cb -0.10 -3.92 0.01 0.00 -1.51 0.00 0.00 37.83 32.32 1xm3 s LYS 98 CO -0.06 -0.84 0.87 0.08 -0.36 0.00 0.00 175.35 175.04 1xm3 s VAL 99 N 2.37 4.66 -0.16 4.02 1.01 -0.65 -1.82 120.40 129.82 1xm3 s VAL 99 Ca 0.16 1.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 1xm3 s VAL 99 Cb -0.16 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.99 1xm3 s VAL 99 CO 0.15 -0.47 -0.03 -0.70 0.00 0.00 0.00 175.10 174.05 1xm3 s GLU 100 N 3.30 1.18 -0.33 2.72 2.12 -1.26 -0.75 118.70 125.67 1xm3 s GLU 100 Ca 0.35 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.25 1xm3 s GLU 100 Cb -0.13 -1.94 0.10 0.00 0.26 0.00 0.00 34.13 32.42 1xm3 s GLU 100 CO 0.17 -0.47 0.09 0.08 -0.54 0.00 0.00 175.26 174.59 1xm3 s VAL 101 N 1.71 1.56 0.12 3.70 1.01 -1.26 -4.20 120.40 123.03 1xm3 s VAL 101 Ca 0.00 -1.91 -0.30 0.00 0.00 0.00 0.00 61.98 59.77 1xm3 s VAL 101 Cb -0.15 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 1xm3 s VAL 101 CO -0.07 -0.65 1.13 -0.63 0.00 0.00 0.00 175.10 174.87 1xm3 s ILE 102 N 1.21 4.01 -0.91 2.22 1.01 -1.21 -0.32 121.20 127.20 1xm3 s ILE 102 Ca 0.11 1.58 0.08 0.00 0.00 0.00 0.00 60.65 62.41 1xm3 s ILE 102 Cb -0.18 -4.01 0.08 0.00 0.01 0.00 0.00 42.46 38.36 1xm3 s ILE 102 CO -0.16 0.20 0.81 0.61 0.00 0.00 0.00 174.94 176.40 1xm3 n GLY 103 N 2.58 -0.17 2.68 6.18 0.00 -0.02 -4.68 105.19 111.76 1xm3 n GLY 103 Ca 0.05 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 8.41 0.00 0.00 0.00 4.64 -1.92 0.46 113.55 125.14 1xm3 h SER 105 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1xm3 h SER 105 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1xm3 h SER 105 CO 0.20 0.17 -0.04 -0.09 -0.87 0.00 0.00 176.83 176.20 1xm3 h ARG 106 N 0.00 0.00 0.00 4.77 2.43 -1.99 -3.39 114.38 116.20 1xm3 h ARG 106 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1xm3 h ARG 106 Cb 0.61 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1xm3 h ARG 106 CO 0.02 0.00 -0.44 0.66 -1.51 0.00 0.00 179.97 178.70 1xm3 h SER 107 N -0.95 0.00 -0.50 -3.80 4.64 -2.00 -3.47 113.55 107.47 1xm3 h SER 107 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1xm3 h SER 107 Cb 0.04 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.05 1xm3 h SER 107 CO 0.00 0.10 -0.19 0.18 -0.87 0.00 0.00 176.83 176.04 1xm3 n LEU 108 N -2.98 -0.62 -4.79 5.97 4.77 0.16 -4.32 117.00 115.19 1xm3 n LEU 108 Ca 0.02 0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 55.92 1xm3 n LEU 108 Cb 0.58 -1.96 -0.00 0.00 -2.33 0.00 0.00 43.42 39.70 1xm3 n LEU 108 CO 0.37 -0.69 0.74 -0.76 -1.33 0.00 0.00 177.39 175.72 1xm3 s LEU 109 N -2.38 3.67 0.53 2.23 1.43 -1.25 -4.65 118.68 118.27 1xm3 s LEU 109 Ca 0.00 1.98 -0.20 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 -1.11 1.10 -2.16 0.23 0.00 0.00 176.35 174.41 1xm3 s PRO 110 N -3.57 3.47 -0.42 1.29 0.04 -1.26 -0.84 135.00 133.71 1xm3 s PRO 110 Ca 0.68 1.53 -0.22 0.00 0.04 0.00 0.00 61.00 63.03 1xm3 s PRO 110 Cb -0.19 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1xm3 s PRO 110 CO 0.29 -0.74 0.70 0.34 0.04 0.00 0.00 177.00 177.63 1xm3 s ASP 111 N -1.86 6.39 0.25 6.66 -1.08 0.56 -4.54 116.67 123.05 1xm3 s ASP 111 Ca 0.71 -0.12 -0.05 0.00 -0.52 0.00 0.00 52.55 52.57 1xm3 s ASP 111 Cb -0.22 -2.35 0.28 0.00 -1.46 0.00 0.00 42.92 39.18 1xm3 s ASP 111 CO 0.25 -0.79 1.85 1.55 0.52 0.00 0.00 175.17 178.56 1xm3 h PRO 112 N 8.80 1.13 -0.05 4.34 0.13 -1.95 -1.21 132.00 143.19 1xm3 h PRO 112 Ca -0.25 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 1xm3 h PRO 112 Cb 1.10 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1xm3 h PRO 112 CO 0.91 0.86 -0.01 0.28 -0.23 0.00 0.00 178.00 179.80 1xm3 h VAL 113 N 1.12 1.30 -0.15 1.56 2.07 -1.98 -1.65 116.25 118.52 1xm3 h VAL 113 Ca 0.27 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1xm3 h VAL 113 Cb 0.10 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1xm3 h VAL 113 CO -0.04 0.25 -0.26 -0.33 0.02 0.00 0.00 177.57 177.22 1xm3 h GLU 114 N -0.25 0.27 -0.40 1.57 4.39 -1.94 -1.62 114.58 116.61 1xm3 h GLU 114 Ca 0.01 -0.09 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 1xm3 h GLU 114 Cb 0.41 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1xm3 h GLU 114 CO 0.01 0.52 -0.37 1.15 -1.16 0.00 0.00 179.01 179.16 1xm3 h THR 115 N 0.25 1.27 -0.33 1.13 2.02 -1.17 0.59 112.91 116.66 1xm3 h THR 115 Ca 0.04 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.66 1xm3 h THR 115 Cb 0.60 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1xm3 h THR 115 CO 0.04 0.52 0.15 -0.07 0.37 0.00 0.00 175.52 176.53 1xm3 h LEU 116 N 0.78 0.44 0.02 2.58 4.07 -1.06 -1.62 115.31 120.52 1xm3 h LEU 116 Ca 0.07 -0.14 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 1xm3 h LEU 116 Cb 0.97 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1xm3 h LEU 116 CO 0.09 0.46 -0.01 0.50 -1.08 0.00 0.00 178.44 178.41 1xm3 h LYS 117 N 0.40 -0.03 -0.84 1.13 3.64 -1.14 -2.44 116.57 117.28 1xm3 h LYS 117 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1xm3 h LYS 117 Cb 0.14 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1xm3 h LYS 117 CO -0.01 0.19 0.50 0.00 -2.27 0.00 0.00 179.45 177.86 1xm3 h ALA 118 N 0.73 1.07 -0.47 5.00 0.00 -0.88 -1.59 119.26 123.12 1xm3 h ALA 118 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xm3 h ALA 118 Cb 0.23 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xm3 h ALA 118 CO 0.00 0.55 0.30 0.77 0.00 0.00 0.00 179.25 180.88 1xm3 h SER 119 N 1.16 0.56 -0.61 0.00 0.02 -1.23 -0.70 113.55 112.75 1xm3 h SER 119 Ca 0.30 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1xm3 h SER 119 Cb -0.03 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1xm3 h SER 119 CO -0.05 0.42 0.12 -0.08 -1.14 0.00 0.00 176.83 176.10 1xm3 h GLU 120 N 0.64 1.00 -0.28 3.45 4.81 -1.15 -1.66 114.58 121.39 1xm3 h GLU 120 Ca 0.17 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1xm3 h GLU 120 Cb -0.05 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1xm3 h GLU 120 CO -0.04 0.93 0.06 0.37 -0.73 0.00 0.00 179.01 179.61 1xm3 h GLN 121 N 0.91 0.45 -0.16 1.92 5.75 -1.01 -2.04 115.11 120.93 1xm3 h GLN 121 Ca 0.19 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.51 1xm3 h GLN 121 Cb 0.40 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 1xm3 h GLN 121 CO 0.01 0.54 -0.22 -0.07 -2.65 0.00 0.00 178.83 176.44 1xm3 h LEU 122 N 0.28 0.27 -0.69 -2.39 3.38 -1.04 -1.71 115.31 113.42 1xm3 h LEU 122 Ca 0.09 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1xm3 h LEU 122 Cb 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xm3 h LEU 122 CO 0.00 0.51 -0.25 -0.07 0.09 0.00 0.00 178.44 178.72 1xm3 h LEU 123 N 0.26 0.76 -1.21 1.67 3.38 -1.16 -1.66 115.31 117.35 1xm3 h LEU 123 Ca 0.04 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1xm3 h LEU 123 Cb 0.54 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1xm3 h LEU 123 CO 0.04 0.98 -0.16 -0.08 0.09 0.00 0.00 178.44 179.31 1xm3 h GLU 124 N 0.65 0.35 -0.29 1.13 4.81 -0.78 -2.38 114.58 118.07 1xm3 h GLU 124 Ca 0.09 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xm3 h GLU 124 Cb 0.76 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1xm3 h GLU 124 CO 0.06 0.51 0.00 0.39 -0.73 0.00 0.00 179.01 179.24 1xm3 n GLU 125 N -4.21 1.53 -0.65 1.92 1.02 -0.70 -4.91 120.64 114.63 1xm3 n GLU 125 Ca -0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 1xm3 n GLU 125 Cb 0.32 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.72 0.75 3.87 0.62 0.00 -0.89 -5.05 105.19 105.20 1xm3 n GLY 126 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.62 3.62 -0.27 1.61 0.40 -0.67 -5.02 117.98 115.02 1xm3 s PHE 127 Ca 0.00 1.30 -0.17 0.00 -0.60 0.00 0.00 56.93 57.45 1xm3 s PHE 127 Cb 0.00 -2.72 -0.03 0.00 0.51 0.00 0.00 43.02 40.78 1xm3 s PHE 127 CO 0.00 -0.66 0.49 0.42 0.70 0.00 0.00 175.22 176.17 1xm3 s ILE 128 N -3.13 5.08 -0.14 0.64 -1.09 -1.26 -4.58 121.20 116.71 1xm3 s ILE 128 Ca 0.55 0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 59.72 1xm3 s ILE 128 Cb -0.11 -3.82 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 1xm3 s ILE 128 CO 0.52 0.07 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.51 1xm3 s VAL 129 N 2.28 3.39 -0.33 2.92 1.01 -1.26 -0.99 120.40 127.41 1xm3 s VAL 129 Ca 0.20 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1xm3 s VAL 129 Cb -0.16 -2.45 0.10 0.00 0.00 0.00 0.00 36.38 33.88 1xm3 s VAL 129 CO 0.10 0.51 0.09 -0.76 0.00 0.00 0.00 175.10 175.04 1xm3 s LEU 130 N 0.34 3.20 0.15 3.92 1.02 -0.53 -0.60 118.68 126.19 1xm3 s LEU 130 Ca -0.08 -1.88 -0.28 0.00 0.02 0.00 0.00 54.13 51.91 1xm3 s LEU 130 Cb -0.15 -1.16 -0.07 0.00 0.02 0.00 0.00 46.19 44.83 1xm3 s LEU 130 CO 0.05 -0.40 0.86 -2.16 0.02 0.00 0.00 176.35 174.72 1xm3 s PRO 131 N 1.29 4.67 0.06 1.29 0.04 -1.24 -1.63 135.00 139.48 1xm3 s PRO 131 Ca 0.11 1.30 -0.26 0.00 0.04 0.00 0.00 61.00 62.19 1xm3 s PRO 131 Cb -0.18 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 1xm3 s PRO 131 CO -0.18 0.43 0.81 -0.47 0.04 0.00 0.00 177.00 177.63 1xm3 s TYR 132 N -0.71 3.75 0.34 0.56 5.04 0.07 -4.60 117.35 121.79 1xm3 s TYR 132 Ca 0.40 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.58 1xm3 s TYR 132 Cb -0.24 -2.88 -0.01 0.00 0.35 0.00 0.00 41.96 39.19 1xm3 s TYR 132 CO 0.28 0.25 0.42 -0.08 -1.34 0.00 0.00 175.55 175.08 1xm3 s THR 133 N -0.03 0.00 0.00 4.34 -1.32 -1.26 -4.81 115.64 112.57 1xm3 s THR 133 Ca 0.41 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 1xm3 s THR 133 Cb -0.21 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.18 1xm3 s THR 133 CO 0.24 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 171.11 1xm3 n SER 134 N -1.41 0.00 -2.04 8.08 3.41 -1.26 -1.40 113.62 119.00 1xm3 n SER 134 Ca 0.03 -0.86 -0.05 0.00 -0.26 0.00 0.00 58.87 57.72 1xm3 n SER 134 Cb 0.62 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.89 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 -2.59 4.99 -4.63 4.04 5.68 -1.26 -4.30 116.55 118.48 1xm3 n ASP 135 Ca 0.00 -3.20 -0.43 0.00 -0.50 0.00 0.00 54.79 50.66 1xm3 n ASP 135 Cb 0.00 -0.75 -0.02 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 -0.98 6.47 0.09 -1.12 -1.08 -1.26 -4.73 116.67 114.06 1xm3 s ASP 136 Ca 0.56 1.47 -0.29 0.00 -0.52 0.00 0.00 52.55 53.77 1xm3 s ASP 136 Cb 0.44 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 39.23 1xm3 s ASP 136 CO 0.14 -1.21 1.65 0.58 0.52 0.00 0.00 175.17 176.86 1xm3 h VAL 137 N 6.09 0.49 -0.11 1.11 2.07 -1.90 -2.50 116.25 121.50 1xm3 h VAL 137 Ca -0.31 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1xm3 h VAL 137 Cb 1.13 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1xm3 h VAL 137 CO 1.01 0.00 -0.29 0.58 0.02 0.00 0.00 177.57 178.89 1xm3 h VAL 138 N -0.57 1.25 -0.92 2.57 2.07 -1.99 -2.52 116.25 116.14 1xm3 h VAL 138 Ca -0.03 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.33 1xm3 h VAL 138 Cb 0.49 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1xm3 h VAL 138 CO 0.01 0.36 0.60 0.25 0.02 0.00 0.00 177.57 178.81 1xm3 h LEU 139 N 0.19 1.03 -0.95 2.57 5.85 -1.94 -0.24 115.31 121.81 1xm3 h LEU 139 Ca 0.03 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1xm3 h LEU 139 Cb 0.61 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1xm3 h LEU 139 CO 0.04 0.73 0.62 0.00 -0.34 0.00 0.00 178.44 179.49 1xm3 h ALA 140 N 1.35 1.25 -0.23 1.25 0.00 -1.00 -1.26 119.26 120.62 1xm3 h ALA 140 Ca 0.35 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 1xm3 h ALA 140 Cb -0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1xm3 h ALA 140 CO -0.09 0.50 -0.46 -0.09 0.00 0.00 0.00 179.25 179.11 1xm3 h ARG 141 N 1.20 0.60 -0.88 0.00 2.43 -1.19 -1.91 114.38 114.64 1xm3 h ARG 141 Ca 0.37 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1xm3 h ARG 141 Cb -0.01 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1xm3 h ARG 141 CO -0.12 0.94 0.46 0.87 -1.51 0.00 0.00 179.97 180.61 1xm3 h LYS 142 N 0.48 1.24 -0.29 0.20 1.79 -0.30 0.15 116.57 119.84 1xm3 h LYS 142 Ca 0.03 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.29 1xm3 h LYS 142 Cb 0.99 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 1xm3 h LYS 142 CO 0.09 0.92 -0.00 -0.07 -1.08 0.00 0.00 179.45 179.31 1xm3 h LEU 143 N 1.24 0.51 -0.67 2.94 3.38 -1.10 -2.81 115.31 118.79 1xm3 h LEU 143 Ca 0.31 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xm3 h LEU 143 Cb 0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1xm3 h LEU 143 CO -0.05 0.70 0.41 -0.33 0.09 0.00 0.00 178.44 179.27 1xm3 h GLU 144 N 0.31 0.79 0.00 1.13 5.08 -0.88 -1.84 114.58 119.16 1xm3 h GLU 144 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xm3 h GLU 144 Cb 0.44 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xm3 h GLU 144 CO 0.02 0.52 0.00 0.39 -1.00 0.00 0.00 179.01 178.94 1xm3 n GLU 145 N -4.69 0.01 0.08 2.33 1.02 0.48 -0.47 120.64 119.40 1xm3 n GLU 145 Ca 0.07 0.34 0.12 0.00 -0.02 0.00 0.00 57.16 57.67 1xm3 n GLU 145 Cb 0.09 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.29 1xm3 n GLU 145 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xm3 n LEU 146 N -1.48 0.77 0.00 -4.62 4.77 -0.69 -4.94 117.00 110.81 1xm3 n LEU 146 Ca 0.02 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1xm3 n LEU 146 Cb 0.10 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1xm3 n LEU 146 CO 0.08 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1xm3 n GLY 147 N 1.32 1.09 3.63 -0.72 0.00 0.38 -4.97 105.19 105.92 1xm3 n GLY 147 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 2.28 -1.68 1.61 -7.23 -1.24 -4.94 120.40 107.20 1xm3 s VAL 148 Ca 0.00 0.09 0.23 0.00 -1.81 0.00 0.00 61.98 60.49 1xm3 s VAL 148 Cb 0.00 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 1xm3 s VAL 148 CO 0.00 -0.12 1.13 1.41 -0.31 0.00 0.00 175.10 177.21 1xm3 n HIS 149 N -4.34 0.00 -3.55 2.82 8.25 0.23 -4.93 115.22 113.71 1xm3 n HIS 149 Ca 0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.45 1xm3 n HIS 149 Cb 0.54 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 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 -2.64 -1.92 0.00 -1.41 0.00 -1.22 -4.21 121.76 110.35 1xm3 s ALA 150 Ca 0.16 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1xm3 s ALA 150 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1xm3 s ALA 150 CO 0.65 -0.58 0.00 0.44 0.00 0.00 0.00 175.76 176.27 1xm3 n ILE 151 N -0.00 0.00 -3.65 0.00 -5.35 -0.71 -3.63 119.36 106.01 1xm3 n ILE 151 Ca -0.06 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.39 1xm3 n ILE 151 Cb 0.60 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 -0.98 0.08 0.32 6.28 0.04 -1.24 -1.72 135.00 137.77 1xm3 s PRO 153 Ca 0.00 0.09 -0.23 0.00 0.04 0.00 0.00 61.00 60.90 1xm3 s PRO 153 Cb 0.00 0.04 -0.10 0.00 0.04 0.00 0.00 34.50 34.48 1xm3 s PRO 153 CO 0.00 -0.01 0.88 0.20 0.04 0.00 0.00 177.00 178.11 1xm3 s GLY 154 N -0.03 2.64 0.16 0.56 0.00 -0.49 -1.34 107.32 108.81 1xm3 s GLY 154 Ca 0.07 0.38 -0.07 0.00 0.00 0.00 0.00 44.72 45.10 1xm3 s GLY 154 CO -0.15 0.75 1.45 0.00 0.00 0.00 0.00 173.10 175.15 1xm3 h ALA 155 N 2.91 0.57 -2.88 3.20 0.00 -1.57 -3.41 119.26 118.08 1xm3 h ALA 155 Ca -0.48 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 53.95 1xm3 h ALA 155 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1xm3 h ALA 155 CO 0.64 0.69 0.35 -1.54 0.00 0.00 0.00 179.25 179.39 1xm3 s SER 156 N -6.94 -0.01 0.53 0.00 1.04 -1.23 -1.61 113.70 105.48 1xm3 s SER 156 Ca -0.09 -1.00 -0.22 0.00 0.48 0.00 0.00 55.95 55.12 1xm3 s SER 156 Cb 0.11 0.76 -0.06 0.00 0.10 0.00 0.00 66.02 66.93 1xm3 s SER 156 CO 0.87 -1.50 1.26 -2.65 0.98 0.00 0.00 173.24 172.20 1xm3 n PRO 157 N -0.57 1.58 -1.61 4.02 -0.02 -1.26 -4.04 135.00 133.10 1xm3 n PRO 157 Ca -0.07 0.58 -0.49 0.00 -2.02 0.00 0.00 63.50 61.50 1xm3 n PRO 157 Cb 0.60 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.00 0.33 -1.08 4.25 5.41 -1.26 -1.55 119.36 124.45 1xm3 n ILE 158 Ca 0.10 -0.08 -0.03 0.00 1.00 0.00 0.00 62.75 63.74 1xm3 n ILE 158 Cb 0.44 -1.01 -0.01 0.00 -0.71 0.00 0.00 39.64 38.35 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 2.50 0.46 0.13 7.39 0.00 -1.26 -4.89 105.19 109.53 1xm3 n GLY 159 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.61 4.64 -1.57 -3.47 113.55 114.76 1xm3 h SER 160 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1xm3 h SER 160 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1xm3 h SER 160 CO 0.09 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1xm3 n GLY 161 N 0.88 0.22 0.21 -0.77 0.00 -1.25 -4.88 105.19 99.60 1xm3 n GLY 161 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1xm3 n GLY 161 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xm3 h GLN 162 N 0.46 0.00 0.00 1.61 1.08 -1.85 -3.36 115.11 113.06 1xm3 h GLN 162 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xm3 h GLN 162 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1xm3 h GLN 162 CO 0.00 0.18 0.00 0.41 -0.95 0.00 0.00 178.83 178.47 1xm3 n GLY 163 N 0.76 -1.35 3.62 3.46 0.00 0.13 -4.75 105.19 107.06 1xm3 n GLY 163 Ca 0.02 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 1xm3 n GLY 163 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xm3 s ILE 164 N 0.00 4.35 -0.08 -0.61 1.10 -1.26 -3.50 121.20 121.20 1xm3 s ILE 164 Ca 0.00 1.47 0.14 0.00 -0.51 0.00 0.00 60.65 61.75 1xm3 s ILE 164 Cb 0.00 -4.52 -0.08 0.00 0.15 0.00 0.00 42.46 38.01 1xm3 s ILE 164 CO 0.00 -0.76 1.12 -0.07 -2.11 0.00 0.00 174.94 173.13 1xm3 h LEU 165 N 10.68 0.00 -6.36 8.50 3.38 -1.60 -3.40 115.31 126.51 1xm3 h LEU 165 Ca -0.22 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.16 1xm3 h LEU 165 Cb 1.06 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.42 1xm3 h LEU 165 CO 1.08 0.67 -0.90 -3.20 0.09 0.00 0.00 178.44 176.18 1xm3 n ASN 166 N -3.11 0.77 0.10 -0.43 2.85 -1.26 -4.96 115.26 109.21 1xm3 n ASN 166 Ca -0.04 -2.73 0.11 0.00 -0.11 0.00 0.00 54.58 51.81 1xm3 n ASN 166 Cb 0.84 -0.62 0.59 0.00 1.24 0.00 0.00 39.78 41.82 1xm3 n ASN 166 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xm3 h PRO 167 N 4.97 0.17 0.23 1.20 0.13 -1.95 -2.13 132.00 134.62 1xm3 h PRO 167 Ca 0.19 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1xm3 h PRO 167 Cb 0.85 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1xm3 h PRO 167 CO 0.51 0.11 -0.11 1.25 -0.23 0.00 0.00 178.00 179.53 1xm3 h LEU 168 N 0.17 -0.27 -0.55 1.56 5.85 -1.98 0.15 115.31 120.24 1xm3 h LEU 168 Ca 0.13 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1xm3 h LEU 168 Cb 0.30 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1xm3 h LEU 168 CO -0.02 -0.10 0.32 0.78 -0.34 0.00 0.00 178.44 179.08 1xm3 h ASN 169 N -0.41 0.51 -0.99 1.25 4.21 -1.79 -1.45 115.58 116.90 1xm3 h ASN 169 Ca -0.03 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.51 1xm3 h ASN 169 Cb 0.31 -0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 37.36 1xm3 h ASN 169 CO 0.05 0.35 0.66 0.25 -1.29 0.00 0.00 177.43 177.45 1xm3 h LEU 170 N 0.63 1.11 -0.64 1.61 5.85 -1.18 -1.36 115.31 121.33 1xm3 h LEU 170 Ca 0.23 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1xm3 h LEU 170 Cb 0.06 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1xm3 h LEU 170 CO -0.12 0.79 0.42 0.28 -0.34 0.00 0.00 178.44 179.47 1xm3 h SER 171 N 1.30 0.71 -0.63 1.25 0.02 0.29 -0.90 113.55 115.60 1xm3 h SER 171 Ca 0.38 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.25 1xm3 h SER 171 Cb -0.08 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1xm3 h SER 171 CO -0.10 0.51 0.15 -0.26 -1.14 0.00 0.00 176.83 175.99 1xm3 h PHE 172 N 0.85 1.08 -0.35 3.45 0.04 -0.63 -0.89 116.94 120.49 1xm3 h PHE 172 Ca 0.24 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 1xm3 h PHE 172 Cb -0.07 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.76 1xm3 h PHE 172 CO -0.03 0.88 0.10 0.82 -0.60 0.00 0.00 178.31 179.47 1xm3 h ILE 173 N 0.98 1.22 -0.33 -0.55 2.04 -0.76 -2.04 117.51 118.06 1xm3 h ILE 173 Ca 0.21 -0.72 -0.15 0.00 1.00 0.00 0.00 64.86 65.19 1xm3 h ILE 173 Cb 0.35 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1xm3 h ILE 173 CO 0.00 0.25 -0.40 0.16 0.00 0.00 0.00 178.15 178.16 1xm3 h ILE 174 N 0.41 1.28 0.00 -0.67 3.07 -1.06 -2.46 117.51 118.09 1xm3 h ILE 174 Ca 0.11 -1.57 -0.09 0.00 1.55 0.00 0.00 64.86 64.86 1xm3 h ILE 174 Cb 0.28 1.45 -0.01 0.00 -0.27 0.00 0.00 36.82 38.27 1xm3 h ILE 174 CO -0.00 0.52 -0.41 -0.33 -1.05 0.00 0.00 178.15 176.87 1xm3 h GLU 175 N 0.65 0.00 0.00 0.16 5.08 -1.09 -3.09 114.58 116.30 1xm3 h GLU 175 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xm3 h GLU 175 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1xm3 h GLU 175 CO 0.09 0.41 -0.96 0.00 -1.00 0.00 0.00 179.01 177.56 1xm3 n GLN 176 N -3.71 0.49 -1.89 2.33 10.64 -0.78 -4.98 117.38 119.48 1xm3 n GLN 176 Ca -0.01 0.08 -0.39 0.00 -1.83 0.00 0.00 57.00 54.85 1xm3 n GLN 176 Cb 0.49 -1.75 0.02 0.00 -0.86 0.00 0.00 30.24 28.14 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 3.11 -0.87 2.61 0.00 -0.93 -4.94 121.76 117.44 1xm3 s ALA 177 Ca 0.01 1.33 0.07 0.00 0.00 0.00 0.00 51.96 53.38 1xm3 s ALA 177 Cb 0.11 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.75 1xm3 s ALA 177 CO 0.78 -1.11 0.75 1.63 0.00 0.00 0.00 175.76 177.81 1xm3 n LYS 178 N -0.37 0.15 -4.34 0.00 5.02 -1.26 -4.99 118.16 112.37 1xm3 n LYS 178 Ca 0.06 -0.98 -0.17 0.00 -2.02 0.00 0.00 58.31 55.20 1xm3 n LYS 178 Cb 0.44 -1.14 -0.10 0.00 -0.02 0.00 0.00 35.03 34.21 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 -0.61 1.14 0.49 -0.18 -7.23 -1.26 -5.12 120.40 107.63 1xm3 s VAL 179 Ca 0.09 -2.05 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 1xm3 s VAL 179 Cb 0.06 -2.32 -0.07 0.00 0.56 0.00 0.00 36.38 34.61 1xm3 s VAL 179 CO 0.09 -0.35 1.40 -2.65 -0.31 0.00 0.00 175.10 173.28 1xm3 n PRO 180 N -0.43 2.03 -4.08 4.82 -0.02 -1.26 -4.79 135.00 131.26 1xm3 n PRO 180 Ca -0.05 0.73 -0.34 0.00 -2.02 0.00 0.00 63.50 61.82 1xm3 n PRO 180 Cb 0.64 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 1xm3 n PRO 180 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xm3 s VAL 181 N -1.23 2.70 -0.18 -1.45 1.01 -1.26 -1.75 120.40 118.24 1xm3 s VAL 181 Ca 0.65 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1xm3 s VAL 181 Cb -0.44 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 33.79 1xm3 s VAL 181 CO 0.54 0.49 -0.16 -0.51 0.00 0.00 0.00 175.10 175.46 1xm3 s ILE 182 N 1.30 1.84 0.02 2.22 2.07 -0.70 -0.37 121.20 127.58 1xm3 s ILE 182 Ca 0.04 -0.90 -0.30 0.00 -1.41 0.00 0.00 60.65 58.08 1xm3 s ILE 182 Cb -0.14 -1.74 -0.06 0.00 0.13 0.00 0.00 42.46 40.65 1xm3 s ILE 182 CO -0.07 0.42 1.52 -0.69 -1.91 0.00 0.00 174.94 174.21 1xm3 s VAL 183 N 1.36 3.45 -0.21 4.00 1.01 -0.76 -3.62 120.40 125.63 1xm3 s VAL 183 Ca 0.03 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 1xm3 s VAL 183 Cb -0.14 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1xm3 s VAL 183 CO -0.11 -0.01 -0.12 -0.62 0.00 0.00 0.00 175.10 174.24 1xm3 s ASP 184 N 2.25 3.80 0.43 3.32 3.68 -0.45 -0.34 116.67 129.35 1xm3 s ASP 184 Ca 0.69 -0.64 0.00 0.00 2.13 0.00 0.00 52.55 54.73 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 -0.04 0.00 0.00 0.13 0.00 0.00 175.17 175.55 1xm3 n ALA 185 N 4.68 -3.73 -0.25 3.66 0.00 -0.51 -3.73 120.51 120.63 1xm3 n ALA 185 Ca -0.19 0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1xm3 n ALA 185 Cb 0.49 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -4.18 1.79 3.76 0.00 0.00 -1.26 -2.50 105.19 102.79 1xm3 n GLY 186 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.00 3.49 -0.02 -0.61 -1.09 -1.26 0.22 121.20 118.93 1xm3 s ILE 187 Ca 0.00 1.50 0.02 0.00 -2.23 0.00 0.00 60.65 59.94 1xm3 s ILE 187 Cb 0.00 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1xm3 s ILE 187 CO 0.00 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 1xm3 n GLY 188 N 1.23 -0.11 3.74 6.18 0.00 -1.26 -4.45 105.19 110.52 1xm3 n GLY 188 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.41 -0.04 0.34 1.61 1.04 -1.26 -4.90 113.70 107.08 1xm3 s SER 189 Ca -0.02 -0.90 0.12 0.00 0.48 0.00 0.00 55.95 55.63 1xm3 s SER 189 Cb 0.01 0.72 0.93 0.00 0.10 0.00 0.00 66.02 67.77 1xm3 s SER 189 CO 0.10 -1.37 1.76 -0.65 0.98 0.00 0.00 173.24 174.05 1xm3 h PRO 190 N 2.08 0.54 -0.76 4.02 0.11 -1.99 -0.56 132.00 135.44 1xm3 h PRO 190 Ca -0.25 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.91 1xm3 h PRO 190 Cb 1.25 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1xm3 h PRO 190 CO 0.32 0.36 0.50 1.57 -0.21 0.00 0.00 178.00 180.54 1xm3 h LYS 191 N 0.56 0.70 -0.13 1.05 2.10 -1.97 0.11 116.57 118.98 1xm3 h LYS 191 Ca 0.60 -0.04 -0.19 0.00 -2.00 0.00 0.00 60.65 59.02 1xm3 h LYS 191 Cb 1.23 -0.16 0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1xm3 h LYS 191 CO -0.38 0.46 -0.66 -0.44 -2.00 0.00 0.00 179.45 176.43 1xm3 h ASP 192 N 0.72 0.81 -0.48 7.07 3.32 -1.52 -1.57 116.42 124.77 1xm3 h ASP 192 Ca 0.34 -0.63 -0.07 0.00 0.02 0.00 0.00 57.03 56.68 1xm3 h ASP 192 Cb 0.39 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1xm3 h ASP 192 CO -0.12 1.31 0.02 0.00 -1.72 0.00 0.00 179.24 178.72 1xm3 h ALA 193 N 0.52 0.65 -0.58 3.45 0.00 -1.25 -1.77 119.26 120.27 1xm3 h ALA 193 Ca -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1xm3 h ALA 193 Cb 1.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1xm3 h ALA 193 CO 0.14 0.44 0.28 0.00 0.00 0.00 0.00 179.25 180.11 1xm3 h ALA 194 N 0.93 0.75 -0.44 0.00 0.00 -0.83 -2.88 119.26 116.80 1xm3 h ALA 194 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xm3 h ALA 194 Cb 0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1xm3 h ALA 194 CO 0.02 0.32 0.28 -0.92 0.00 0.00 0.00 179.25 178.95 1xm3 h TYR 195 N 0.80 0.57 0.00 0.00 3.20 -1.08 0.12 116.97 120.56 1xm3 h TYR 195 Ca 0.20 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1xm3 h TYR 195 Cb 0.12 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1xm3 h TYR 195 CO -0.00 0.37 0.00 0.00 -1.64 0.00 0.00 178.16 176.89 1xm3 n ALA 196 N -2.23 0.69 0.00 1.82 0.00 -0.68 -1.08 120.51 119.03 1xm3 n ALA 196 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1xm3 n ALA 196 Cb 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 0.16 0.00 0.01 0.00 1.02 0.40 -2.14 120.64 120.10 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 0.59 0.00 -0.02 0.00 0.00 31.44 32.01 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 0.08 0.00 -4.62 4.77 -0.24 -4.71 117.00 112.27 1xm3 n LEU 199 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1xm3 n LEU 199 Cb 0.00 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1xm3 n LEU 199 CO 0.00 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 1xm3 n GLY 200 N 1.44 1.21 3.74 -0.72 0.00 -1.19 -4.91 105.19 104.77 1xm3 n GLY 200 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 2.42 -0.55 4.61 0.00 -0.91 -4.91 121.76 120.41 1xm3 s ALA 201 Ca 0.00 0.96 0.24 0.00 0.00 0.00 0.00 51.96 53.16 1xm3 s ALA 201 Cb 0.00 -3.46 0.34 0.00 0.00 0.00 0.00 23.12 20.00 1xm3 s ALA 201 CO 0.00 -1.39 1.36 -0.44 0.00 0.00 0.00 175.76 175.28 1xm3 h ASP 202 N 0.49 0.00 -5.64 0.00 5.19 -1.05 -3.48 116.42 111.94 1xm3 h ASP 202 Ca -0.50 -0.12 0.26 0.00 -0.62 0.00 0.00 57.03 56.06 1xm3 h ASP 202 Cb 1.30 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.74 1xm3 h ASP 202 CO 0.53 0.06 0.75 -0.83 -3.12 0.00 0.00 179.24 176.63 1xm3 s GLY 203 N -3.84 -0.11 -0.00 2.75 0.00 -1.17 -4.79 107.32 100.15 1xm3 s GLY 203 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1xm3 s GLY 203 CO 0.71 3.03 -0.01 0.14 0.00 0.00 0.00 173.10 176.98 1xm3 s VAL 204 N -2.25 0.09 -0.16 1.40 1.01 -0.63 -1.83 120.40 118.03 1xm3 s VAL 204 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 1xm3 s VAL 204 Cb -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 36.38 36.28 1xm3 s VAL 204 CO 0.01 0.03 -0.14 -0.22 0.00 0.00 0.00 175.10 174.79 1xm3 s LEU 205 N 0.02 2.56 0.11 3.92 0.20 0.53 -0.61 118.68 125.41 1xm3 s LEU 205 Ca -0.00 -0.44 0.02 0.00 0.69 0.00 0.00 54.13 54.39 1xm3 s LEU 205 Cb -0.01 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 1xm3 s LEU 205 CO -0.00 0.08 -0.05 -1.48 -0.29 0.00 0.00 176.35 174.61 1xm3 s LEU 206 N 0.85 2.43 0.00 -0.68 0.05 -0.44 -1.43 118.68 119.46 1xm3 s LEU 206 Ca -0.04 -1.04 0.00 0.00 0.05 0.00 0.00 54.13 53.10 1xm3 s LEU 206 Cb -0.15 -0.05 0.00 0.00 -2.05 0.00 0.00 46.19 43.94 1xm3 s LEU 206 CO -0.00 -0.49 0.00 -0.46 -0.55 0.00 0.00 176.35 174.84 1xm3 n ASN 207 N -0.07 0.00 0.26 1.48 6.94 -1.26 -1.04 115.26 121.58 1xm3 n ASN 207 Ca -0.11 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.58 1xm3 n ASN 207 Cb 0.61 0.00 0.73 0.00 -2.36 0.00 0.00 39.78 38.77 1xm3 n ASN 207 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1xm3 h THR 208 N 0.00 0.57 0.00 5.53 1.35 -1.94 -0.30 112.91 118.12 1xm3 h THR 208 Ca 0.00 -0.50 -0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1xm3 h THR 208 Cb 0.00 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1xm3 h THR 208 CO 0.00 0.11 -0.01 0.00 -0.25 0.00 0.00 175.52 175.37 1xm3 h ALA 209 N 1.89 1.61 0.00 6.62 0.00 -1.91 0.76 119.26 128.23 1xm3 h ALA 209 Ca -0.00 -0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 1xm3 h ALA 209 Cb 0.31 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1xm3 h ALA 209 CO 0.01 0.01 -2.24 0.28 0.00 0.00 0.00 179.25 177.31 1xm3 n VAL 210 N -3.98 1.53 0.21 0.00 0.31 -0.68 -4.15 118.33 111.56 1xm3 n VAL 210 Ca -0.03 -0.29 0.06 0.00 -0.01 0.00 0.00 64.34 64.08 1xm3 n VAL 210 Cb 0.09 -1.96 0.48 0.00 -0.91 0.00 0.00 33.84 31.54 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 0.11 4.52 4.64 -1.00 -2.92 113.55 117.90 1xm3 h SER 211 Ca -0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1xm3 h SER 211 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1xm3 h SER 211 CO -0.35 0.27 -0.15 0.61 -0.87 0.00 0.00 176.83 176.34 1xm3 n GLY 212 N -0.48 -0.26 3.80 -0.77 0.00 0.26 -4.57 105.19 103.16 1xm3 n GLY 212 Ca -0.02 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.27 2.51 0.42 4.61 0.00 -1.10 -4.93 121.76 121.00 1xm3 s ALA 213 Ca 0.30 0.15 0.11 0.00 0.00 0.00 0.00 51.96 52.52 1xm3 s ALA 213 Cb 0.20 -3.21 0.91 0.00 0.00 0.00 0.00 23.12 21.02 1xm3 s ALA 213 CO 0.44 -1.44 1.99 -0.44 0.00 0.00 0.00 175.76 176.31 1xm3 h ASP 214 N -0.88 0.18 -3.07 0.00 3.32 -1.92 -3.29 116.42 110.76 1xm3 h ASP 214 Ca -0.44 -0.03 -0.61 0.00 0.02 0.00 0.00 57.03 55.98 1xm3 h ASP 214 Cb 1.22 -0.05 -0.40 0.00 0.22 0.00 0.00 39.33 40.32 1xm3 h ASP 214 CO 0.55 0.28 -0.74 -0.62 -1.72 0.00 0.00 179.24 176.99 1xm3 s ASP 215 N -6.90 3.49 0.25 6.45 -1.08 -1.26 -5.00 116.67 112.62 1xm3 s ASP 215 Ca -0.06 -3.21 -0.03 0.00 -0.52 0.00 0.00 52.55 48.74 1xm3 s ASP 215 Cb 0.16 -1.11 0.47 0.00 -1.46 0.00 0.00 42.92 40.98 1xm3 s ASP 215 CO 0.72 -0.17 1.77 -0.65 0.52 0.00 0.00 175.17 177.36 1xm3 h PRO 216 N 5.93 0.62 -0.38 4.34 0.11 -1.72 -2.49 132.00 138.42 1xm3 h PRO 216 Ca 0.12 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1xm3 h PRO 216 Cb 0.86 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 1xm3 h PRO 216 CO 0.55 0.41 0.17 0.28 -0.21 0.00 0.00 178.00 179.20 1xm3 h VAL 217 N 0.64 1.17 0.00 3.15 2.07 -1.86 0.15 116.25 121.57 1xm3 h VAL 217 Ca 0.43 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1xm3 h VAL 217 Cb 0.55 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1xm3 h VAL 217 CO -0.33 0.19 0.00 1.17 0.02 0.00 0.00 177.57 178.62 1xm3 n LYS 218 N -4.70 0.27 0.00 1.57 4.81 -0.94 -2.00 118.16 117.17 1xm3 n LYS 218 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1xm3 n LYS 218 Cb 0.12 -1.35 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 0.83 0.00 -0.14 3.14 0.00 0.04 -1.19 120.51 123.19 1xm3 n ALA 220 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1xm3 n ALA 220 Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 0.61 -0.53 0.00 2.43 -1.66 -1.60 114.38 113.64 1xm3 h ARG 221 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1xm3 h ARG 221 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1xm3 h ARG 221 CO 0.00 0.57 0.00 0.00 -1.51 0.00 0.00 179.97 179.03 1xm3 n ALA 222 N -2.30 1.17 0.00 2.80 0.00 -0.33 -1.73 120.51 120.11 1xm3 n ALA 222 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xm3 n ALA 222 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 0.62 0.00 -0.11 0.00 0.00 -0.60 -0.46 118.16 117.60 1xm3 n LYS 224 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.27 1xm3 n LYS 224 Cb 0.01 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.21 1xm3 n LYS 224 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1xm3 h LEU 225 N 0.00 0.76 -0.25 3.14 3.38 -1.61 -2.42 115.31 118.31 1xm3 h LEU 225 Ca 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1xm3 h LEU 225 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1xm3 h LEU 225 CO 0.00 0.80 0.06 0.00 0.09 0.00 0.00 178.44 179.40 1xm3 h ALA 226 N 1.29 0.33 -0.70 1.53 0.00 -1.03 0.12 119.26 120.79 1xm3 h ALA 226 Ca 0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xm3 h ALA 226 Cb 0.40 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1xm3 h ALA 226 CO 0.01 -0.02 0.22 0.28 0.00 0.00 0.00 179.25 179.74 1xm3 h VAL 227 N 0.23 1.25 -0.17 0.00 2.07 -1.80 0.35 116.25 118.18 1xm3 h VAL 227 Ca 0.08 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1xm3 h VAL 227 Cb 0.28 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1xm3 h VAL 227 CO 0.00 0.34 0.01 -0.33 0.02 0.00 0.00 177.57 177.61 1xm3 h GLU 228 N 1.03 0.29 -0.48 1.57 5.08 -1.24 -2.17 114.58 118.65 1xm3 h GLU 228 Ca 0.23 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1xm3 h GLU 228 Cb 0.29 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1xm3 h GLU 228 CO -0.01 0.49 0.30 0.00 -1.00 0.00 0.00 179.01 178.79 1xm3 h ALA 229 N 0.79 0.62 -0.68 3.43 0.00 -0.50 -1.19 119.26 121.72 1xm3 h ALA 229 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xm3 h ALA 229 Cb 0.35 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1xm3 h ALA 229 CO 0.01 0.09 0.44 0.78 0.00 0.00 0.00 179.25 180.56 1xm3 h GLY 230 N 0.65 0.98 0.92 0.00 0.00 -0.89 -1.11 103.07 103.62 1xm3 h GLY 230 Ca 0.18 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1xm3 h GLY 230 CO -0.04 0.30 0.06 -0.09 0.00 0.00 0.00 176.54 176.77 1xm3 h ARG 231 N 0.87 0.61 -0.80 4.80 9.65 -1.11 -1.50 114.38 126.90 1xm3 h ARG 231 Ca 0.27 -0.16 0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1xm3 h ARG 231 Cb -0.02 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 1xm3 h ARG 231 CO -0.09 0.68 0.53 -0.07 2.80 0.00 0.00 179.97 183.81 1xm3 h LEU 232 N 0.45 0.91 -0.40 3.80 4.07 -0.95 -1.48 115.31 121.71 1xm3 h LEU 232 Ca 0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1xm3 h LEU 232 Cb 0.36 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1xm3 h LEU 232 CO 0.01 0.65 0.22 -1.28 -1.08 0.00 0.00 178.44 176.96 1xm3 h SER 233 N 1.07 0.49 -0.62 -0.43 0.87 -0.99 0.20 113.55 114.15 1xm3 h SER 233 Ca 0.30 -0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.85 1xm3 h SER 233 Cb -0.10 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 61.67 1xm3 h SER 233 CO -0.07 0.44 0.27 0.22 -0.53 0.00 0.00 176.83 177.16 1xm3 h TYR 234 N 0.52 0.49 -0.14 2.24 3.20 -0.74 -2.15 116.97 120.38 1xm3 h TYR 234 Ca 0.14 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.89 1xm3 h TYR 234 Cb 0.05 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1xm3 h TYR 234 CO -0.03 0.17 -0.53 0.93 -1.64 0.00 0.00 178.16 177.06 1xm3 h GLU 235 N 0.49 0.42 0.00 1.82 5.08 -0.80 -3.25 114.58 118.34 1xm3 h GLU 235 Ca 0.30 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1xm3 h GLU 235 Cb 0.31 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xm3 h GLU 235 CO -0.26 0.85 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 1xm3 n ALA 236 N -2.50 1.92 -2.15 3.43 0.00 0.67 -4.97 120.51 116.91 1xm3 n ALA 236 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1xm3 n ALA 236 Cb 0.58 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.56 -1.61 3.72 0.00 0.00 -1.05 -5.00 105.19 101.80 1xm3 n GLY 237 Ca 0.04 0.45 -0.31 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.55 1.65 0.56 1.61 1.70 -1.26 -4.99 118.95 116.66 1xm3 s ARG 238 Ca 0.09 1.36 -0.19 0.00 -0.47 0.00 0.00 55.73 56.53 1xm3 s ARG 238 Cb -0.03 -1.81 -0.05 0.00 -0.57 0.00 0.00 34.95 32.49 1xm3 s ARG 238 CO 0.38 -2.13 1.11 0.96 -1.08 0.00 0.00 175.30 174.54 1xm3 s ILE 239 N -2.77 3.30 0.85 4.99 -4.36 -1.26 -5.03 121.20 116.93 1xm3 s ILE 239 Ca 0.64 0.77 -0.12 0.00 -0.26 0.00 0.00 60.65 61.68 1xm3 s ILE 239 Cb -0.20 -3.29 0.10 0.00 1.25 0.00 0.00 42.46 40.32 1xm3 s ILE 239 CO 0.57 -0.22 1.14 -2.16 0.24 0.00 0.00 174.94 174.51 1xm3 s PRO 240 N -3.45 1.61 -0.09 0.37 0.04 -1.26 -5.01 135.00 127.21 1xm3 s PRO 240 Ca 0.71 0.31 -0.28 0.00 0.04 0.00 0.00 61.00 61.78 1xm3 s PRO 240 Cb -0.22 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1xm3 s PRO 240 CO 0.29 -1.88 0.91 -0.51 0.04 0.00 0.00 177.00 175.85 1xm3 s LEU 241 N -5.83 4.27 0.34 -3.56 1.02 -1.26 -5.01 118.68 108.64 1xm3 s LEU 241 Ca 0.62 1.42 -0.28 0.00 0.02 0.00 0.00 54.13 55.91 1xm3 s LEU 241 Cb -0.14 -3.41 -0.10 0.00 0.02 0.00 0.00 46.19 42.57 1xm3 s LEU 241 CO 0.52 -0.34 1.30 -0.75 0.02 0.00 0.00 176.35 177.10 1xm3 s LYS 242 N 1.64 4.33 -0.21 1.70 2.20 -1.26 -5.00 119.74 123.14 1xm3 s LYS 242 Ca 0.45 2.19 -0.07 0.00 -0.36 0.00 0.00 55.97 58.18 1xm3 s LYS 242 Cb -0.18 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1xm3 s LYS 242 CO 0.19 -0.20 0.06 -1.14 -0.36 0.00 0.00 175.35 173.90 1xm3 s GLN 243 N -1.83 3.82 -0.01 4.03 2.00 -1.26 -4.97 119.66 121.44 1xm3 s GLN 243 Ca 0.49 -0.41 0.18 0.00 -2.00 0.00 0.00 55.36 53.62 1xm3 s GLN 243 Cb -0.39 -3.25 -0.24 0.00 0.80 0.00 0.00 33.01 29.93 1xm3 s GLN 243 CO 0.52 0.07 0.55 0.66 -0.50 0.00 0.00 175.29 176.59 1xm3 n TYR 244 N 4.14 0.00 -2.79 1.67 4.02 -1.26 -5.01 117.16 117.93 1xm3 n TYR 244 Ca -0.16 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.63 1xm3 n TYR 244 Cb 0.52 -0.23 0.03 0.00 -0.02 0.00 0.00 39.34 39.63 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 1.45 0.25 3.98 2.72 0.00 -1.26 -5.04 105.19 107.29 1xm3 n GLY 245 Ca -0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.98 3.55 0.53 2.61 -4.23 -1.26 -4.98 115.64 108.87 1xm3 s THR 246 Ca 0.19 -0.77 0.41 0.00 -1.18 0.00 0.00 61.69 60.34 1xm3 s THR 246 Cb -0.09 -3.27 0.43 0.00 1.34 0.00 0.00 72.50 70.92 1xm3 s THR 246 CO 0.24 -0.15 2.27 0.00 -0.54 0.00 0.00 174.62 176.45 1xm3 h ALA 247 N 0.52 1.03 0.00 3.99 0.00 -2.02 -1.07 119.26 121.70 1xm3 h ALA 247 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xm3 h ALA 247 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xm3 h ALA 247 CO 0.53 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 1xm3 n SER 248 N -3.13 0.00 -3.31 0.00 3.41 -1.26 -3.83 113.62 105.50 1xm3 n SER 248 Ca -0.02 -0.59 -0.25 0.00 -0.26 0.00 0.00 58.87 57.75 1xm3 n SER 248 Cb 0.13 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.08 1.27 0.00 4.04 7.64 -0.41 -5.17 113.62 119.91 1xm3 n SER 249 Ca 0.17 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 57.15 1xm3 n SER 249 Cb 0.12 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1xm3 n SER 249 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38